| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.7 | Very low | 46.2 | Very low | 241 Ų | 241 | 127.9 Ų | 127.9 | 100% | 1.187 | 69% | 0.686 | S | S | * | * | 0 | 123.1 | 0 | -71.7 | -171.1 | 126 | 0 | 0 | 107.8 | A3 | M1-A3 PolarHBondContact O-N 3.07Š| |||
| 2 | A | 40.1 | Very low | 46.2 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 88% | 0.884 | 66% | 0.657 | S | S | * | * | trans | -62.2 | 102.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | A | 41.2 | Very low | 46.8 | Very low | 85 Ų | 85 | 119.5 Ų | 119.5 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | trans | -61.4 | 125.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | M1 Q5 | M1-A3 PolarHBondContact O-N 3.07Å; A3-Q5 PolarHBondContact O-N 2.98Å; A3-Q5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | P | 45.3 | Very low | 47.5 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 71% | 0.708 | 64% | 0.637 | S | S | * | * | trans | -58.1 | 124.9 | -179.3 | 24 | -30.7 | 0 | 0 | 0 | 107.4 | L6 | P4-L6 PolarHBondContact O-N 3.43Š| ||
| 5 | Q | 44.8 | Very low | 47.6 | Very low | 194 Ų | 194 | 115.5 Ų | 115.5 | 91% | 0.907 | 62% | 0.616 | S | S | * | * | trans | -57.4 | 104 | 170.2 | -82.8 | 177.7 | -32.4 | 0 | 0 | 106.7 | A3 D7 | A3-Q5 PolarHBondContact O-N 2.98Å; A3-Q5 VanDerWaalsContact O-N 3.13Å; Q5-D7 PolarHBondContact O-N 3.46Å; Q5-D7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | L | 40.1 | Very low | 47.8 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | trans | -64.7 | 109.8 | 171.4 | -91.3 | 103.9 | 0 | 0 | 0 | 107.5 | P4 F8 M11 | P4-L6 PolarHBondContact O-N 3.43Å; L6-F8 PolarHBondContact O-N 3.33Å; L6-F8 VanDerWaalsContact O-N 3.08Å; L6-M11 HydrophobicContact CB-CE 4.03Å; L6-M11 HydrophobicContact CD2-CE 3.41Å; L6-M11 VanDerWaalsContact CD2-CE 3.41Å; L6-M11 HydrophobicContact CD2-SD 3.52Å; L6-M11 VanDerWaalsContact CD2-SD 3.52Å; L6-M11 HydrophobicContact CG-CE 4.35Å | ||
| 7 | D | 55.1 | Low | 48 | Very low | 96 Ų | 96 | 112 Ų | 112 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | trans | -68.6 | 102.9 | 170.6 | -175.5 | -5.2 | 0 | 0 | 0 | 108.7 | Q5 L9 W10 M11 | Q5-D7 PolarHBondContact O-N 3.46Å; Q5-D7 VanDerWaalsContact O-N 3.08Å; D7-L9 PolarHBondContact O-N 2.98Å; D7-L9 WeakPolarHBondContact OD1-CB 3.36Å; D7-L9 PolarHBondContact OD1-N 2.91Å; D7-W10 HydrophobicContact CB-CB 3.91Å; D7-W10 PolarHBondContact O-N 3.29Å; D7-W10 PolarHBondContact OD1-N 3.1Å; D7-M11 PolarHBondContact O-N 2.83Å | ||
| 8 | F | 43.2 | Very low | 48 | Very low | 146 Ų | 146 | 112 Ų | 112 | 64% | 0.64 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.7 | -26.7 | 178.8 | -94.3 | -85.7 | 0 | 0 | 0 | 112.5 | L6 M11 S12 | L6-F8 PolarHBondContact O-N 3.33Å; L6-F8 VanDerWaalsContact O-N 3.08Å; F8-M11 HydrophobicContact CD1-CE 3.99Å; F8-M11 HydrophobicContact CE1-CE 4.09Å; F8-M11 HydrophobicContact CG-CE 4.21Å; F8-M11 HydrophobicContact CZ-CE 4.4Å; F8-S12 VanDerWaalsContact O-CB 3.27Å; F8-S12 WeakPolarHBondContact O-CB 3.39Å; F8-S12 PolarHBondContact O-N 3.42Å |
| 9 | L | 52.5 | Low | 47.7 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.2 | -45.6 | 177 | -164.6 | 73.2 | 0 | 0 | 0 | 109.9 | D7 M11 S12 D13 | D7-L9 PolarHBondContact O-N 2.98Å; D7-L9 WeakPolarHBondContact OD1-CB 3.36Å; D7-L9 PolarHBondContact OD1-N 2.91Å; L9-M11 VanDerWaalsContact C-N 3.33Å; L9-M11 PolarHBondContact O-N 3.37Å; L9-S12 WeakPolarHBondContact O-CB 3.44Å; L9-S12 PolarHBondContact O-N 3.09Å; L9-S12 VanDerWaalsContact O-N 3.13Å; L9-D13 PolarHBondContact O-N 3.34Å |
| 10 | W | 65 | Low | 47.5 | Very low | 158 Ų | 158 | 113.7 Ų | 113.7 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.6 | -43 | 173.1 | -177.8 | 85.5 | 0 | 0 | 0 | 112.2 | D7 D13 K14 | D7-W10 HydrophobicContact CB-CB 3.91Å; D7-W10 PolarHBondContact O-N 3.29Å; D7-W10 PolarHBondContact OD1-N 3.1Å; W10-D13 PolarHBondContact O-N 3.48Å; W10-K14 HydrophobicContact CD2-CG 4.28Å; W10-K14 HydrophobicContact CE3-CG 4.44Å; W10-K14 HydrophobicContact CH2-CD 4.49Å; W10-K14 HydrophobicContact CH2-CG 4.12Å; W10-K14 HydrophobicContact CZ2-CD 4.37Å; W10-K14 HydrophobicContact CZ2-CG 3.92Å; W10-K14 HydrophobicContact CZ3-CG 4.36Å; W10-K14 VanDerWaalsContact O-CB 3.3Å; W10-K14 WeakPolarHBondContact O-CB 3.42Å; W10-K14 PolarHBondContact O-N 3.14Å |
| 11 | M | 45.8 | Very low | 46.9 | Very low | 39 Ų | 39 | 112.5 Ų | 112.5 | 19% | 0.192 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -64.4 | -41.9 | 173.2 | -88.4 | -164.4 | -62 | 0 | 0 | 112.3 | L6 D7 F8 L9 D13 K14 I15 | L6-M11 HydrophobicContact CB-CE 4.03Å; L6-M11 HydrophobicContact CD2-CE 3.41Å; L6-M11 VanDerWaalsContact CD2-CE 3.41Å; L6-M11 HydrophobicContact CD2-SD 3.52Å; L6-M11 VanDerWaalsContact CD2-SD 3.52Å; L6-M11 HydrophobicContact CG-CE 4.35Å; D7-M11 PolarHBondContact O-N 2.83Å; F8-M11 HydrophobicContact CD1-CE 3.99Å; F8-M11 HydrophobicContact CE1-CE 4.09Å; F8-M11 HydrophobicContact CG-CE 4.21Å; F8-M11 HydrophobicContact CZ-CE 4.4Å; L9-M11 VanDerWaalsContact C-N 3.33Å; L9-M11 PolarHBondContact O-N 3.37Å; M11-D13 VanDerWaalsContact C-N 3.35Å; M11-D13 PolarHBondContact O-N 3.36Å; M11-K14 PolarHBondContact O-N 2.99Å; M11-I15 HydrophobicContact CB-CD1 4.3Å; M11-I15 VanDerWaalsContact O-CB 3.23Å; M11-I15 WeakPolarHBondContact O-CB 3.49Å; M11-I15 WeakPolarHBondContact O-CD1 3.38Å; M11-I15 WeakPolarHBondContact O-CG1 3.48Å; M11-I15 PolarHBondContact O-N 3.43Å |
| 12 | S | 46.3 | Very low | 47.1 | Very low | 48 Ų | 48 | 108.9 Ų | 108.9 | 34% | 0.336 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.1 | -44.1 | 177.3 | -179 | 0 | 0 | 0 | 0 | 111.3 | F8 L9 I15 S16 | F8-S12 VanDerWaalsContact O-CB 3.27Å; F8-S12 WeakPolarHBondContact O-CB 3.39Å; F8-S12 PolarHBondContact O-N 3.42Å; L9-S12 WeakPolarHBondContact O-CB 3.44Å; L9-S12 PolarHBondContact O-N 3.09Å; L9-S12 VanDerWaalsContact O-N 3.13Å; S12-I15 PolarHBondContact O-N 3.28Å; S12-S16 WeakPolarHBondContact O-CB 3.34Å; S12-S16 PolarHBondContact O-N 3.22Å; S12-S16 PolarHBondContact O-OG 3.19Å |
| 13 | D | 54.6 | Low | 46.8 | Very low | 99 Ų | 99 | 109.8 Ų | 109.8 | 53% | 0.529 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.2 | -42.8 | 177.2 | -75.9 | -10.2 | 0 | 0 | 0 | 111.4 | L9 W10 M11 I15 S16 S17 | L9-D13 PolarHBondContact O-N 3.34Å; W10-D13 PolarHBondContact O-N 3.48Å; M11-D13 VanDerWaalsContact C-N 3.35Å; M11-D13 PolarHBondContact O-N 3.36Å; D13-I15 PolarHBondContact O-N 2.77Å; D13-S16 WeakPolarHBondContact CA-OG 3.44Å; D13-S16 PolarHBondContact O-N 3.17Å; D13-S16 PolarHBondContact O-OG 2.67Å; D13-S17 WeakPolarHBondContact O-CB 3.46Å; D13-S17 PolarHBondContact O-N 3.43Å; D13-S17 VanDerWaalsContact O-N 3.1Å; D13-S17 PolarHBondContact O-OG 2.91Å |
| 14 | K | 56.2 | Low | 46.5 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.6 | -42.6 | 172.1 | -95.6 | -87.8 | -173.6 | 173.8 | 0 | 112.6 | W10 M11 S17 I18 | W10-K14 HydrophobicContact CD2-CG 4.28Å; W10-K14 HydrophobicContact CE3-CG 4.44Å; W10-K14 HydrophobicContact CH2-CD 4.49Å; W10-K14 HydrophobicContact CH2-CG 4.12Å; W10-K14 HydrophobicContact CZ2-CD 4.37Å; W10-K14 HydrophobicContact CZ2-CG 3.92Å; W10-K14 HydrophobicContact CZ3-CG 4.36Å; W10-K14 VanDerWaalsContact O-CB 3.3Å; W10-K14 WeakPolarHBondContact O-CB 3.42Å; W10-K14 PolarHBondContact O-N 3.14Å; M11-K14 PolarHBondContact O-N 2.99Å; K14-S17 WeakPolarHBondContact CA-OG 3.23Å; K14-S17 PolarHBondContact O-N 2.71Å; K14-S17 PolarHBondContact O-OG 3.06Å; K14-I18 WeakPolarHBondContact O-CG1 3.49Å; K14-I18 PolarHBondContact O-N 3.29Å |
| 15 | I | 48.5 | Very low | 46 | Very low | 62 Ų | 62 | 107.8 Ų | 107.8 | 32% | 0.318 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -74.9 | -38.2 | -178.5 | -67.9 | 164.1 | 0 | 0 | 0 | 110.5 | M11 S12 D13 S17 I18 W39 | M11-I15 HydrophobicContact CB-CD1 4.3Å; M11-I15 VanDerWaalsContact O-CB 3.23Å; M11-I15 WeakPolarHBondContact O-CB 3.49Å; M11-I15 WeakPolarHBondContact O-CD1 3.38Å; M11-I15 WeakPolarHBondContact O-CG1 3.48Å; M11-I15 PolarHBondContact O-N 3.43Å; S12-I15 PolarHBondContact O-N 3.28Å; D13-I15 PolarHBondContact O-N 2.77Å; I15-S17 PolarHBondContact O-N 2.62Å; I15-I18 WeakPolarHBondContact O-CB 3.48Å; I15-I18 PolarHBondContact O-N 3.33Å; I15-I18 VanDerWaalsContact O-N 3.1Å; I15-W39 HydrophobicContact CB-CH2 4.13Å; I15-W39 HydrophobicContact CB-CZ2 4.1Å; I15-W39 HydrophobicContact CD1-CH2 4.15Å; I15-W39 HydrophobicContact CD1-CZ3 4.48Å; I15-W39 HydrophobicContact CG2-CH2 3.81Å; I15-W39 HydrophobicContact CG2-CZ2 3.49Å; I15-W39 VanDerWaalsContact CG2-CZ2 3.49Å |
| 16 | S | 51.1 | Low | 45.5 | Very low | 86 Ų | 86 | 101.1 Ų | 101.1 | 60% | 0.601 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -24.6 | 175.7 | 72.4 | 0 | 0 | 0 | 0 | 113 | S12 D13 | S12-S16 WeakPolarHBondContact O-CB 3.34Å; S12-S16 PolarHBondContact O-N 3.22Å; S12-S16 PolarHBondContact O-OG 3.19Å; D13-S16 WeakPolarHBondContact CA-OG 3.44Å; D13-S16 PolarHBondContact O-N 3.17Å; D13-S16 PolarHBondContact O-OG 2.67Å |
| 17 | S | 50.9 | Low | 45.3 | Very low | 85 Ų | 85 | 101.8 Ų | 101.8 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.3 | 174.2 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | D13 K14 I15 E19 | D13-S17 WeakPolarHBondContact O-CB 3.46Å; D13-S17 PolarHBondContact O-N 3.43Å; D13-S17 VanDerWaalsContact O-N 3.1Å; D13-S17 PolarHBondContact O-OG 2.91Å; K14-S17 WeakPolarHBondContact CA-OG 3.23Å; K14-S17 PolarHBondContact O-N 2.71Å; K14-S17 PolarHBondContact O-OG 3.06Å; I15-S17 PolarHBondContact O-N 2.62Å; S17-E19 PolarHBondContact O-N 3Å |
| 18 | I | 49.2 | Very low | 44.4 | Very low | 112 Ų | 112 | 100.1 Ų | 100.1 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -73.6 | 97.9 | 167.6 | -63.1 | 167.8 | 0 | 0 | 0 | 106.4 | K14 I15 T20 | K14-I18 WeakPolarHBondContact O-CG1 3.49Å; K14-I18 PolarHBondContact O-N 3.29Å; I15-I18 WeakPolarHBondContact O-CB 3.48Å; I15-I18 PolarHBondContact O-N 3.33Å; I15-I18 VanDerWaalsContact O-N 3.1Å; I18-T20 PolarHBondContact O-N 3.42Å |
| 19 | E | 41.8 | Very low | 44.4 | Very low | 180 Ų | 180 | 98.3 Ų | 98.3 | 84% | 0.841 | 53% | 0.525 | S | S | * | . | trans | -55 | 117.3 | 161.7 | -77.9 | -172.1 | 164.8 | 0 | 0 | 107.4 | S17 N21 | S17-E19 PolarHBondContact O-N 3Å; E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 3.38Å | ||
| 20 | T | 43.8 | Very low | 44.2 | Very low | 77 Ų | 77 | 93.6 Ų | 93.6 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | trans | -61.3 | 100 | 175.4 | 46.2 | 0 | 0 | 0 | 0 | 107.6 | I18 F22 P38 | I18-T20 PolarHBondContact O-N 3.42Å; T20-F22 VanDerWaalsContact C-N 3.3Å; T20-F22 VanDerWaalsContact O-CD2 3.29Å; T20-F22 WeakPolarHBondContact O-CD2 3.31Å; T20-F22 PolarHBondContact O-N 3.12Å; T20-P38 HydrophobicContact CG2-CG 3.96Å | ||
| 21 | N | 35 | Very low | 43.4 | Very low | 89 Ų | 89 | 88.9 Ų | 88.9 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | trans | -68.7 | 94.2 | 176 | -166.2 | -8 | 0 | 0 | 0 | 107.1 | E19 N23 L24 | E19-N21 VanDerWaalsContact C-N 3.34Å; E19-N21 PolarHBondContact O-N 3.38Å; N21-N23 PolarHBondContact O-N 3.26Å; N21-N23 VanDerWaalsContact OD1-CB 3.32Å; N21-N23 WeakPolarHBondContact OD1-CB 3.17Å; N21-N23 PolarHBondContact OD1-N 3.13Å; N21-N23 PolarHBondContact OD1-ND2 3.17Å; N21-N23 VanDerWaalsContact OD1-ND2 3.16Å; N21-L24 HydrophobicContact CB-CD1 4.13Å; N21-L24 HydrophobicContact CB-CG 4.48Å; N21-L24 PolarHBondContact O-N 2.97Å | ||
| 22 | F | 38.6 | Very low | 43.7 | Very low | 165 Ų | 165 | 89.6 Ų | 89.6 | 72% | 0.724 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -54.4 | -16.8 | 177.7 | -71.8 | -84.3 | 0 | 0 | 0 | 112.2 | T20 V25 | T20-F22 VanDerWaalsContact C-N 3.3Å; T20-F22 VanDerWaalsContact O-CD2 3.29Å; T20-F22 WeakPolarHBondContact O-CD2 3.31Å; T20-F22 PolarHBondContact O-N 3.12Å; F22-V25 WeakPolarHBondContact O-CB 3.41Å; F22-V25 WeakPolarHBondContact O-CG2 3.28Å; F22-V25 PolarHBondContact O-N 3.09Å |
| 23 | N | 34.7 | Very low | 43.9 | Very low | 126 Ų | 126 | 89.3 Ų | 89.3 | 67% | 0.674 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -75.4 | -21.1 | 175.2 | -56.5 | -42 | 0 | 0 | 0 | 114.1 | N21 V25 G26 | N21-N23 PolarHBondContact O-N 3.26Å; N21-N23 VanDerWaalsContact OD1-CB 3.32Å; N21-N23 WeakPolarHBondContact OD1-CB 3.17Å; N21-N23 PolarHBondContact OD1-N 3.13Å; N21-N23 PolarHBondContact OD1-ND2 3.17Å; N21-N23 VanDerWaalsContact OD1-ND2 3.16Å; N23-V25 PolarHBondContact O-N 3.47Å; N23-G26 PolarHBondContact O-N 2.98Å; N23-G26 VanDerWaalsContact O-N 3.09Å |
| 24 | L | 33.5 | Very low | 43.5 | Very low | 107 Ų | 107 | 90.3 Ų | 90.3 | 56% | 0.56 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -66.1 | -21.9 | 173.4 | -84.7 | 161.5 | 0 | 0 | 0 | 112.1 | N21 G26 L27 | N21-L24 HydrophobicContact CB-CD1 4.13Å; N21-L24 HydrophobicContact CB-CG 4.48Å; N21-L24 PolarHBondContact O-N 2.97Å; L24-G26 PolarHBondContact O-N 2.98Å; L24-L27 HydrophobicContact CD2-CD1 4.15Å; L24-L27 PolarHBondContact O-N 2.86Å |
| 25 | V | 35.3 | Very low | 43.2 | Very low | 46 Ų | 46 | 91 Ų | 91 | 28% | 0.279 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -67.2 | -24.5 | 173.4 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | F22 N23 F34 Q35 | F22-V25 WeakPolarHBondContact O-CB 3.41Å; F22-V25 WeakPolarHBondContact O-CG2 3.28Å; F22-V25 PolarHBondContact O-N 3.09Å; N23-V25 PolarHBondContact O-N 3.47Å; V25-F34 HydrophobicContact CG2-CB 4.49Å; V25-Q35 HydrophobicContact CG1-CG 3.5Å |
| 26 | G | 33.9 | Very low | 43.8 | Very low | 53 Ų | 53 | 89.3 Ų | 89.3 | 55% | 0.546 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -81.5 | -15.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N23 L24 N29 | N23-G26 PolarHBondContact O-N 2.98Å; N23-G26 VanDerWaalsContact O-N 3.09Å; L24-G26 PolarHBondContact O-N 2.98Å; G26-N29 PolarHBondContact O-OD1 3.36Å |
| 27 | L | 36.7 | Very low | 44.5 | Very low | 129 Ų | 129 | 87 Ų | 87 | 68% | 0.675 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -28.6 | -175.3 | -84.2 | 151.7 | 0 | 0 | 0 | 112.9 | L24 N29 | L24-L27 HydrophobicContact CD2-CD1 4.15Å; L24-L27 PolarHBondContact O-N 2.86Å; L27-N29 PolarHBondContact O-N 3.08Å |
| 28 | D | 35.9 | Very low | 45.2 | Very low | 61 Ų | 61 | 86.4 Ų | 86.4 | 33% | 0.326 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -103.8 | 68.3 | 178.7 | -119.8 | 11.6 | 0 | 0 | 0 | 110.8 | G30 N31 F34 | D28-G30 VanDerWaalsContact C-N 3.27Å; D28-G30 PolarHBondContact O-N 3.41Å; D28-N31 HydrophobicContact CB-CB 4.41Å; D28-N31 PolarHBondContact O-N 3.37Å; D28-F34 HydrophobicContact CB-CD2 4.14Å; D28-F34 HydrophobicContact CB-CE2 4.22Å; D28-F34 WeakPolarHBondContact OD2-CE2 3.3Å |
| 29 | N | 44.3 | Very low | 46.3 | Very low | 108 Ų | 108 | 85.7 Ų | 85.7 | 58% | 0.578 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -34.7 | 71.8 | 174.9 | -79.1 | -23.4 | 0 | 0 | 0 | 115.6 | G26 L27 S353 F357 | G26-N29 PolarHBondContact O-OD1 3.36Å; L27-N29 PolarHBondContact O-N 3.08Å; N29-S353 VanDerWaalsContact O-CB 3.24Å; N29-S353 WeakPolarHBondContact O-CB 3.27Å; N29-F357 WeakPolarHBondContact O-CE2 3.2Å |
| 30 | G | 48.2 | Very low | 47.7 | Very low | 19 Ų | 19 | 77.1 Ų | 77.1 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 121 | -3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | D28 E32 K299 | D28-G30 VanDerWaalsContact C-N 3.27Å; D28-G30 PolarHBondContact O-N 3.41Å; G30-E32 PolarHBondContact O-N 2.93Å; G30-K299 PolarHBondContact O-NZ 3.38Å |
| 31 | N | 47.6 | Very low | 48.9 | Very low | 59 Ų | 59 | 76.3 Ų | 76.3 | 32% | 0.316 | 40% | 0.4 | S | S | . | . | trans | -85.3 | 83.6 | 169.7 | -90.8 | -7.2 | 0 | 0 | 0 | 109.7 | D28 Y33 F34 K299 | D28-N31 HydrophobicContact CB-CB 4.41Å; D28-N31 PolarHBondContact O-N 3.37Å; N31-Y33 HydrophobicContact CB-CD2 4.05Å; N31-Y33 PolarHBondContact O-N 3.19Å; N31-F34 HydrophobicContact CB-CD2 4.25Å; N31-F34 PolarHBondContact O-N 3.03Å; N31-F34 VanDerWaalsContact O-N 3.14Å; N31-K299 PolarHBondContact OD1-NZ 3.03Å | ||
| 32 | E | 52.1 | Low | 50.7 | Low | 53 Ų | 53 | 73.7 Ų | 73.7 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -53.9 | -17.2 | 174.3 | -65.3 | -173.2 | 157.8 | 0 | 0 | 113.3 | G30 F34 Q35 W36 R240 H296 | G30-E32 PolarHBondContact O-N 2.93Å; E32-F34 PolarHBondContact O-N 3.04Å; E32-Q35 WeakPolarHBondContact O-CB 3.26Å; E32-Q35 PolarHBondContact O-N 3.08Å; E32-W36 HydrophobicContact CB-CZ2 4.48Å; E32-W36 PolarHBondContact O-NE1 2.89Å; E32-R240 IonicContact OE2-CZ 2.62Å; E32-R240 IonicContact OE2-NE 2.67Å; E32-R240 IonicContact OE2-NH2 3.98Å; E32-R240 PolarHBondContact OE2-NH2 3.39Å; E32-H296 IonicContact OE1-NE2 3.56Å; E32-H296 IonicContact OE2-CE1 3.95Å; E32-H296 IonicContact OE2-NE2 2.71Å |
| 33 | Y | 50.1 | Low | 52.6 | Low | 43 Ų | 43 | 68.4 Ų | 68.4 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -42.4 | -36.2 | 168.3 | -66.3 | -98.2 | 0 | 0 | 0 | 114.2 | N31 W36 M244 | N31-Y33 HydrophobicContact CB-CD2 4.05Å; N31-Y33 PolarHBondContact O-N 3.19Å; Y33-W36 HydrophobicContact CD1-CE3 4.45Å; Y33-W36 HydrophobicContact CD1-CZ3 4Å; Y33-W36 HydrophobicContact CE1-CZ3 4.4Å; Y33-W36 HydrophobicContact CG-CZ3 4.41Å; Y33-W36 PolarHBondContact O-N 3.48Å; Y33-M244 HydrophobicContact CD1-CE 3.85Å; Y33-M244 HydrophobicContact CD1-SD 4.46Å; Y33-M244 HydrophobicContact CE1-CE 2.98Å; Y33-M244 HydrophobicContact CE1-SD 3.34Å; Y33-M244 WeakPolarHBondContact CE1-SD 3.44Å; Y33-M244 VanDerWaalsContact OH-CE 3.25Å; Y33-M244 WeakPolarHBondContact OH-CE 3.49Å; Y33-M244 PolarHBondContact OH-SD 3Å; Y33-M244 VanDerWaalsContact OH-SD 3.34Å |
| 34 | F | 45.3 | Very low | 54.6 | Low | 119 Ų | 119 | 62.5 Ų | 62.5 | 52% | 0.522 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -84.6 | -10.2 | 179.8 | -70.3 | -72 | 0 | 0 | 0 | 114.4 | V25 D28 N31 E32 | V25-F34 HydrophobicContact CG2-CB 4.49Å; D28-F34 HydrophobicContact CB-CD2 4.14Å; D28-F34 HydrophobicContact CB-CE2 4.22Å; D28-F34 WeakPolarHBondContact OD2-CE2 3.3Å; N31-F34 HydrophobicContact CB-CD2 4.25Å; N31-F34 PolarHBondContact O-N 3.03Å; N31-F34 VanDerWaalsContact O-N 3.14Å; E32-F34 PolarHBondContact O-N 3.04Å |
| 35 | Q | 51.7 | Low | 56.5 | Low | 133 Ų | 133 | 58.1 Ų | 58.1 | 62% | 0.621 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -76.6 | -10.7 | 167.9 | -66.7 | -174.4 | 8.3 | 0 | 0 | 112.3 | V25 E32 | V25-Q35 HydrophobicContact CG1-CG 3.5Å; E32-Q35 WeakPolarHBondContact O-CB 3.26Å; E32-Q35 PolarHBondContact O-N 3.08Å |
| 36 | W | 60.3 | Low | 58.5 | Low | 25 Ų | 25 | 60 Ų | 60 | 10% | 0.095 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -93.2 | 158.1 | -170 | -58.6 | -13.4 | 0 | 0 | 0 | 112.7 | E32 Y33 P38 V41 L193 M244 | E32-W36 HydrophobicContact CB-CZ2 4.48Å; E32-W36 PolarHBondContact O-NE1 2.89Å; Y33-W36 HydrophobicContact CD1-CE3 4.45Å; Y33-W36 HydrophobicContact CD1-CZ3 4Å; Y33-W36 HydrophobicContact CE1-CZ3 4.4Å; Y33-W36 HydrophobicContact CG-CZ3 4.41Å; Y33-W36 PolarHBondContact O-N 3.48Å; W36-P38 WeakPolarHBondContact O-CD 3.47Å; W36-P38 VanDerWaalsContact O-N 3.09Å; W36-V41 HydrophobicContact CB-CG2 4.24Å; W36-L193 HydrophobicContact CB-CD2 4.32Å; W36-L193 HydrophobicContact CD2-CD2 4.36Å; W36-L193 HydrophobicContact CE3-CB 3.89Å; W36-L193 HydrophobicContact CE3-CD1 3.62Å; W36-L193 HydrophobicContact CE3-CD2 3.88Å; W36-L193 HydrophobicContact CE3-CG 3.95Å; W36-L193 HydrophobicContact CH2-CB 4.31Å; W36-L193 HydrophobicContact CZ3-CB 3.77Å; W36-L193 HydrophobicContact CZ3-CD1 3.65Å; W36-L193 HydrophobicContact CZ3-CG 4.13Å; W36-M244 HydrophobicContact CH2-CE 4Å; W36-M244 HydrophobicContact CZ3-CE 3.72Å |
| 37 | D | 66.6 | Low | 60.5 | Low | 39 Ų | 39 | 57.9 Ų | 57.9 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | trans | -52.8 | 116.5 | -177.2 | -173.9 | -28 | 0 | 0 | 0 | 110.2 | W39 A40 V41 K119 | D37-W39 PolarHBondContact O-N 2.95Å; D37-W39 WeakPolarHBondContact OD1-CB 3.45Å; D37-W39 PolarHBondContact OD1-N 2.93Å; D37-A40 HydrophobicContact CB-CB 4.07Å; D37-A40 WeakPolarHBondContact O-CA 3.32Å; D37-A40 WeakPolarHBondContact O-CB 3.27Å; D37-A40 PolarHBondContact O-N 2.85Å; D37-V41 PolarHBondContact O-N 3.48Å; D37-K119 VanDerWaalsContact CG-CE 3.47Å; D37-K119 IonicContact OD1-NZ 3.16Å; D37-K119 WeakPolarHBondContact OD2-CE 3.31Å; D37-K119 IonicContact OD2-NZ 2.67Å; D37-K119 PolarHBondContact OD2-NZ 2.74Å | ||
| 38 | P | 65 | Low | 62.2 | Low | 71 Ų | 71 | 54.5 Ų | 54.5 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.3 | -31.5 | -176.5 | -25.3 | 32.3 | 0 | 0 | 0 | 112.9 | T20 W36 V41 A42 | T20-P38 HydrophobicContact CG2-CG 3.96Å; W36-P38 WeakPolarHBondContact O-CD 3.47Å; W36-P38 VanDerWaalsContact O-N 3.09Å; P38-V41 PolarHBondContact O-N 3.01Å; P38-A42 VanDerWaalsContact O-CB 3.23Å; P38-A42 WeakPolarHBondContact O-CB 3.45Å; P38-A42 PolarHBondContact O-N 3.33Å |
| 39 | W | 70.9 | Confident | 63.8 | Low | 98 Ų | 98 | 55.8 Ų | 55.8 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 176.4 | -73 | 103.7 | 0 | 0 | 0 | 112.2 | I15 D37 A42 L43 K119 | I15-W39 HydrophobicContact CB-CH2 4.13Å; I15-W39 HydrophobicContact CB-CZ2 4.1Å; I15-W39 HydrophobicContact CD1-CH2 4.15Å; I15-W39 HydrophobicContact CD1-CZ3 4.48Å; I15-W39 HydrophobicContact CG2-CH2 3.81Å; I15-W39 HydrophobicContact CG2-CZ2 3.49Å; I15-W39 VanDerWaalsContact CG2-CZ2 3.49Å; D37-W39 PolarHBondContact O-N 2.95Å; D37-W39 WeakPolarHBondContact OD1-CB 3.45Å; D37-W39 PolarHBondContact OD1-N 2.93Å; W39-A42 PolarHBondContact O-N 3.3Å; W39-L43 WeakPolarHBondContact O-CB 3.5Å; W39-L43 WeakPolarHBondContact O-CD1 3.45Å; W39-L43 WeakPolarHBondContact O-CG 3.41Å; W39-L43 PolarHBondContact O-N 3.43Å; W39-K119 HydrophobicContact CB-CD 4.43Å |
| 40 | A | 72 | Confident | 65.2 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | D37 L43 S44 Q118 K119 V122 L193 | D37-A40 HydrophobicContact CB-CB 4.07Å; D37-A40 WeakPolarHBondContact O-CA 3.32Å; D37-A40 WeakPolarHBondContact O-CB 3.27Å; D37-A40 PolarHBondContact O-N 2.85Å; A40-L43 PolarHBondContact O-N 3.38Å; A40-S44 WeakPolarHBondContact O-CB 3.44Å; A40-S44 PolarHBondContact O-N 3.5Å; A40-Q118 HydrophobicContact CB-CG 4.34Å; A40-K119 HydrophobicContact CB-CG 4.31Å; A40-V122 HydrophobicContact CB-CG2 4.39Å; A40-L193 HydrophobicContact CB-CD2 3.89Å |
| 41 | V | 69.6 | Low | 66.6 | Low | 59 Ų | 59 | 59.2 Ų | 59.2 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | W36 D37 P38 S44 G45 | W36-V41 HydrophobicContact CB-CG2 4.24Å; D37-V41 PolarHBondContact O-N 3.48Å; P38-V41 PolarHBondContact O-N 3.01Å; V41-S44 WeakPolarHBondContact O-CB 3.46Å; V41-S44 PolarHBondContact O-N 2.82Å; V41-G45 PolarHBondContact O-N 3.15Å |
| 42 | A | 72.9 | Confident | 68 | Low | 34 Ų | 34 | 59.8 Ų | 59.8 | 28% | 0.281 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P38 W39 S44 G45 F46 | P38-A42 VanDerWaalsContact O-CB 3.23Å; P38-A42 WeakPolarHBondContact O-CB 3.45Å; P38-A42 PolarHBondContact O-N 3.33Å; W39-A42 PolarHBondContact O-N 3.3Å; A42-S44 PolarHBondContact O-N 2.97Å; A42-G45 PolarHBondContact O-N 3.17Å; A42-G45 VanDerWaalsContact O-N 3.1Å; A42-F46 HydrophobicContact CB-CE2 4.1Å; A42-F46 WeakPolarHBondContact O-CD2 3.43Å; A42-F46 VanDerWaalsContact O-CG 3.28Å; A42-F46 WeakPolarHBondContact O-CG 3.26Å; A42-F46 PolarHBondContact O-N 2.97Å |
| 43 | L | 77.5 | Confident | 69 | Low | 55 Ų | 55 | 58.4 Ų | 58.4 | 29% | 0.288 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 174.1 | -76.6 | 169.2 | 0 | 0 | 0 | 111.1 | W39 A40 F46 T47 K119 V123 | W39-L43 WeakPolarHBondContact O-CB 3.5Å; W39-L43 WeakPolarHBondContact O-CD1 3.45Å; W39-L43 WeakPolarHBondContact O-CG 3.41Å; W39-L43 PolarHBondContact O-N 3.43Å; A40-L43 PolarHBondContact O-N 3.38Å; L43-F46 PolarHBondContact O-N 3.12Å; L43-T47 WeakPolarHBondContact O-CG2 3.21Å; L43-T47 PolarHBondContact O-N 3.01Å; L43-T47 PolarHBondContact O-OG1 2.92Å; L43-K119 HydrophobicContact CD1-CB 3.99Å; L43-K119 HydrophobicContact CD1-CG 4.16Å; L43-V123 HydrophobicContact CB-CG2 3.92Å; L43-V123 HydrophobicContact CD1-CG2 3.87Å; L43-V123 HydrophobicContact CD2-CG2 3.98Å; L43-V123 HydrophobicContact CG-CG2 4.14Å |
| 44 | S | 76.5 | Confident | 70.2 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.1 | -171 | 0 | 0 | 0 | 0 | 112.9 | A40 V41 A42 T47 E48 S197 R248 | A40-S44 WeakPolarHBondContact O-CB 3.44Å; A40-S44 PolarHBondContact O-N 3.5Å; V41-S44 WeakPolarHBondContact O-CB 3.46Å; V41-S44 PolarHBondContact O-N 2.82Å; A42-S44 PolarHBondContact O-N 2.97Å; S44-T47 WeakPolarHBondContact CA-OG1 3.41Å; S44-T47 PolarHBondContact O-N 2.85Å; S44-T47 PolarHBondContact O-OG1 2.94Å; S44-E48 PolarHBondContact O-N 3.49Å; S44-S197 VanDerWaalsContact OG-CB 3.32Å; S44-S197 WeakPolarHBondContact OG-CB 3.17Å; S44-S197 PolarHBondContact OG-OG 3.31Å; S44-R248 PolarHBondContact OG-NH1 3.17Å; S44-R248 PolarHBondContact OG-NH2 3.16Å |
| 45 | G | 74.2 | Confident | 71.7 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.2 | -38 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V41 A42 T47 E48 R51 | V41-G45 PolarHBondContact O-N 3.15Å; A42-G45 PolarHBondContact O-N 3.17Å; A42-G45 VanDerWaalsContact O-N 3.1Å; G45-T47 PolarHBondContact O-N 3.23Å; G45-E48 WeakPolarHBondContact O-CB 3.36Å; G45-E48 WeakPolarHBondContact O-CG 3.43Å; G45-E48 PolarHBondContact O-N 3.11Å; G45-R51 VanDerWaalsContact O-CD 3.26Å; G45-R51 WeakPolarHBondContact O-CD 3.18Å; G45-R51 PolarHBondContact O-NE 3.16Å |
| 46 | F | 77.5 | Confident | 72.9 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 38% | 0.377 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -31.2 | 175.3 | -65 | -41.9 | 0 | 0 | 0 | 112.7 | A42 L43 E48 R51 L52 | A42-F46 HydrophobicContact CB-CE2 4.1Å; A42-F46 WeakPolarHBondContact O-CD2 3.43Å; A42-F46 VanDerWaalsContact O-CG 3.28Å; A42-F46 WeakPolarHBondContact O-CG 3.26Å; A42-F46 PolarHBondContact O-N 2.97Å; L43-F46 PolarHBondContact O-N 3.12Å; F46-E48 VanDerWaalsContact C-N 3.33Å; F46-R51 WeakPolarHBondContact O-CB 3.46Å; F46-L52 WeakPolarHBondContact O-CB 3.37Å; F46-L52 PolarHBondContact O-N 3.43Å; F46-L52 VanDerWaalsContact O-N 3.15Å |
| 47 | T | 74.8 | Confident | 73.5 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 9.1 | -179.3 | 50 | 0 | 0 | 0 | 0 | 113.8 | L43 S44 G45 L52 L53 A126 I127 | L43-T47 WeakPolarHBondContact O-CG2 3.21Å; L43-T47 PolarHBondContact O-N 3.01Å; L43-T47 PolarHBondContact O-OG1 2.92Å; S44-T47 WeakPolarHBondContact CA-OG1 3.41Å; S44-T47 PolarHBondContact O-N 2.85Å; S44-T47 PolarHBondContact O-OG1 2.94Å; G45-T47 PolarHBondContact O-N 3.23Å; T47-L52 HydrophobicContact CG2-CD2 4.04Å; T47-L53 WeakPolarHBondContact O-CD1 3.41Å; T47-L53 WeakPolarHBondContact O-CG 3.22Å; T47-A126 VanDerWaalsContact CB-CB 3.47Å; T47-A126 HydrophobicContact CG2-CB 4.17Å; T47-A126 WeakPolarHBondContact OG1-CB 3.25Å; T47-I127 HydrophobicContact CG2-CG2 4.06Å |
| 48 | E | 74 | Confident | 73.7 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 27% | 0.271 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -59.4 | 147.4 | 168.8 | -72.7 | 170.2 | 178.4 | 0 | 0 | 111.6 | S44 G45 F46 R51 | S44-E48 PolarHBondContact O-N 3.49Å; G45-E48 WeakPolarHBondContact O-CB 3.36Å; G45-E48 WeakPolarHBondContact O-CG 3.43Å; G45-E48 PolarHBondContact O-N 3.11Å; F46-E48 VanDerWaalsContact C-N 3.33Å; E48-R51 HydrophobicContact CB-CG 4.36Å; E48-R51 PolarHBondContact O-N 2.88Å; E48-R51 IonicContact OE2-CZ 2.97Å; E48-R51 VanDerWaalsContact OE2-CZ 3.26Å; E48-R51 IonicContact OE2-NE 3.69Å; E48-R51 PolarHBondContact OE2-NE 3.07Å; E48-R51 IonicContact OE2-NH2 3.05Å; E48-R51 PolarHBondContact OE2-NH2 3.45Å |
| 49 | E | 69.2 | Low | 74.1 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -46.8 | -52.8 | -178.5 | -169.7 | 178 | -178.3 | 0 | 0 | 114.1 | R51 Q54 | E49-R51 PolarHBondContact O-N 2.87Å; E49-Q54 WeakPolarHBondContact O-CB 3.32Å; E49-Q54 PolarHBondContact O-N 2.84Å; E49-Q54 VanDerWaalsContact O-N 3.16Å |
| 50 | P | 72.4 | Confident | 74.3 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -68.3 | -5.7 | -179.3 | 27.3 | -36.8 | 0 | 0 | 0 | 114.8 | ||
| 51 | R | 78.5 | Confident | 74.4 | Confident | 118 Ų | 118 | 65.3 Ų | 65.3 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | I | π-helix | trans | -106.7 | -106.6 | -174.7 | -54.5 | -165.2 | -153.2 | -164.1 | 3.9 | 111.6 | G45 F46 E48 E49 K55 | G45-R51 VanDerWaalsContact O-CD 3.26Å; G45-R51 WeakPolarHBondContact O-CD 3.18Å; G45-R51 PolarHBondContact O-NE 3.16Å; F46-R51 WeakPolarHBondContact O-CB 3.46Å; E48-R51 HydrophobicContact CB-CG 4.36Å; E48-R51 PolarHBondContact O-N 2.88Å; E48-R51 IonicContact OE2-CZ 2.97Å; E48-R51 VanDerWaalsContact OE2-CZ 3.26Å; E48-R51 IonicContact OE2-NE 3.69Å; E48-R51 PolarHBondContact OE2-NE 3.07Å; E48-R51 IonicContact OE2-NH2 3.05Å; E48-R51 PolarHBondContact OE2-NH2 3.45Å; E49-R51 PolarHBondContact O-N 2.87Å; R51-K55 VanDerWaalsContact O-CB 3.22Å; R51-K55 WeakPolarHBondContact O-CB 3.31Å; R51-K55 VanDerWaalsContact O-CG 3.22Å; R51-K55 WeakPolarHBondContact O-CG 3.45Å; R51-K55 PolarHBondContact O-N 3.04Å |
| 52 | L | 76.7 | Confident | 74.6 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | I | π-helix | trans | -68.8 | -39.2 | -171.7 | -169.7 | 90.5 | 0 | 0 | 0 | 112.1 | F46 T47 Q54 C56 V60 | F46-L52 WeakPolarHBondContact O-CB 3.37Å; F46-L52 PolarHBondContact O-N 3.43Å; F46-L52 VanDerWaalsContact O-N 3.15Å; T47-L52 HydrophobicContact CG2-CD2 4.04Å; L52-Q54 PolarHBondContact O-N 3.16Å; L52-C56 PolarHBondContact O-N 2.8Å; L52-V60 HydrophobicContact CD2-CG2 3.91Å; L52-V60 HydrophobicContact CG-CG2 4.11Å |
| 53 | L | 72.8 | Confident | 75 | Confident | 24 Ų | 24 | 68.8 Ų | 68.8 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -62.2 | -45.3 | -176.9 | -64.4 | 179.2 | 0 | 0 | 0 | 111.6 | T47 V60 I127 | T47-L53 WeakPolarHBondContact O-CD1 3.41Å; T47-L53 WeakPolarHBondContact O-CG 3.22Å; L53-V60 HydrophobicContact CD2-CG1 3.68Å; L53-V60 HydrophobicContact CD2-CG2 4.16Å; L53-I127 HydrophobicContact CD2-CG2 4.35Å |
| 54 | Q | 75.5 | Confident | 75.2 | Confident | 143 Ų | 143 | 66.7 Ų | 66.7 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -78.9 | -38.4 | 178.4 | -168.9 | 178.4 | 31.6 | 0 | 0 | 113.3 | E49 L52 | E49-Q54 WeakPolarHBondContact O-CB 3.32Å; E49-Q54 PolarHBondContact O-N 2.84Å; E49-Q54 VanDerWaalsContact O-N 3.16Å; L52-Q54 PolarHBondContact O-N 3.16Å |
| 55 | K | 77 | Confident | 75.3 | Confident | 164 Ų | 164 | 67.8 Ų | 67.8 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -77.3 | -31.2 | -175.8 | -68.7 | -178.3 | -179.3 | -177.1 | 0 | 113.8 | R51 | R51-K55 VanDerWaalsContact O-CB 3.22Å; R51-K55 WeakPolarHBondContact O-CB 3.31Å; R51-K55 VanDerWaalsContact O-CG 3.22Å; R51-K55 WeakPolarHBondContact O-CG 3.45Å; R51-K55 PolarHBondContact O-N 3.04Å |
| 56 | C | 77.4 | Confident | 75.6 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | trans | -136.5 | 52.4 | -170.6 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | L52 T58 A59 V60 | L52-C56 PolarHBondContact O-N 2.8Å; C56-T58 VanDerWaalsContact C-N 3.27Å; C56-T58 PolarHBondContact O-N 3.07Å; C56-T58 VanDerWaalsContact O-N 3.17Å; C56-A59 HydrophobicContact CB-CB 4.17Å; C56-A59 PolarHBondContact O-N 2.74Å; C56-A59 VanDerWaalsContact O-N 3.08Å; C56-V60 WeakPolarHBondContact O-CG2 3.43Å; C56-V60 PolarHBondContact O-N 3.42Å; C56-V60 VanDerWaalsContact O-N 3.16Å | ||
| 57 | P | 71.2 | Confident | 75.9 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -34.4 | -171.7 | 24.7 | -35.1 | 0 | 0 | 0 | 113.3 | V60 S61 | P57-V60 PolarHBondContact O-N 3.15Å; P57-S61 PolarHBondContact O-N 3.45Å |
| 58 | T | 72.4 | Confident | 76.2 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 177 | -41.4 | 0 | 0 | 0 | 0 | 111.6 | C56 V60 S61 Y62 | C56-T58 VanDerWaalsContact C-N 3.27Å; C56-T58 PolarHBondContact O-N 3.07Å; C56-T58 VanDerWaalsContact O-N 3.17Å; T58-V60 VanDerWaalsContact C-N 3.31Å; T58-V60 PolarHBondContact O-N 3.39Å; T58-S61 PolarHBondContact O-N 3.48Å; T58-S61 PolarHBondContact O-OG 2.93Å; T58-Y62 HydrophobicContact CG2-CD2 4.16Å; T58-Y62 HydrophobicContact CG2-CE2 3.89Å; T58-Y62 VanDerWaalsContact O-CD2 3.26Å; T58-Y62 WeakPolarHBondContact O-CD2 3.33Å; T58-Y62 PolarHBondContact O-N 3.29Å |
| 59 | A | 73.2 | Confident | 76.6 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C56 Y62 A63 | C56-A59 HydrophobicContact CB-CB 4.17Å; C56-A59 PolarHBondContact O-N 2.74Å; C56-A59 VanDerWaalsContact O-N 3.08Å; A59-Y62 PolarHBondContact O-N 2.75Å; A59-A63 WeakPolarHBondContact O-CB 3.5Å; A59-A63 PolarHBondContact O-N 3.15Å |
| 60 | V | 75.5 | Confident | 77.4 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | L52 L53 C56 P57 T58 Y62 A63 W64 I127 | L52-V60 HydrophobicContact CD2-CG2 3.91Å; L52-V60 HydrophobicContact CG-CG2 4.11Å; L53-V60 HydrophobicContact CD2-CG1 3.68Å; L53-V60 HydrophobicContact CD2-CG2 4.16Å; C56-V60 WeakPolarHBondContact O-CG2 3.43Å; C56-V60 PolarHBondContact O-N 3.42Å; C56-V60 VanDerWaalsContact O-N 3.16Å; P57-V60 PolarHBondContact O-N 3.15Å; T58-V60 VanDerWaalsContact C-N 3.31Å; T58-V60 PolarHBondContact O-N 3.39Å; V60-Y62 VanDerWaalsContact C-N 3.32Å; V60-Y62 PolarHBondContact O-N 3.46Å; V60-A63 PolarHBondContact O-N 3.01Å; V60-A63 VanDerWaalsContact O-N 3.16Å; V60-W64 PolarHBondContact O-N 3.42Å; V60-W64 VanDerWaalsContact O-N 3.11Å; V60-I127 HydrophobicContact CG1-CB 3.74Å; V60-I127 HydrophobicContact CG1-CG2 3.96Å |
| 61 | S | 72.5 | Confident | 78 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 178.5 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | P57 T58 P65 | P57-S61 PolarHBondContact O-N 3.45Å; T58-S61 PolarHBondContact O-N 3.48Å; T58-S61 PolarHBondContact O-OG 2.93Å; S61-P65 WeakPolarHBondContact O-CD 3.48Å |
| 62 | Y | 74.8 | Confident | 78.3 | Confident | 129 Ų | 129 | 63.8 Ų | 63.8 | 51% | 0.506 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -76.1 | -32.1 | 174.9 | -80.4 | -72.3 | 0 | 0 | 0 | 112.9 | T58 A59 V60 I164 | T58-Y62 HydrophobicContact CG2-CD2 4.16Å; T58-Y62 HydrophobicContact CG2-CE2 3.89Å; T58-Y62 VanDerWaalsContact O-CD2 3.26Å; T58-Y62 WeakPolarHBondContact O-CD2 3.33Å; T58-Y62 PolarHBondContact O-N 3.29Å; A59-Y62 PolarHBondContact O-N 2.75Å; V60-Y62 VanDerWaalsContact C-N 3.32Å; V60-Y62 PolarHBondContact O-N 3.46Å; Y62-I164 HydrophobicContact CE1-CD1 4.43Å |
| 63 | A | 80.9 | Confident | 78.6 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A59 V60 A66 V67 I127 | A59-A63 WeakPolarHBondContact O-CB 3.5Å; A59-A63 PolarHBondContact O-N 3.15Å; V60-A63 PolarHBondContact O-N 3.01Å; V60-A63 VanDerWaalsContact O-N 3.16Å; A63-A66 PolarHBondContact O-N 3.16Å; A63-A66 VanDerWaalsContact O-N 3.12Å; A63-V67 WeakPolarHBondContact O-CG2 3.5Å; A63-V67 PolarHBondContact O-N 3.01Å; A63-I127 HydrophobicContact CB-CD1 4.03Å |
| 64 | W | 82 | Confident | 79.2 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 5% | 0.045 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -52.9 | -54.2 | -174.6 | 165.8 | -112 | 0 | 0 | 0 | 114.4 | V60 A66 V67 H68 A124 I127 A128 P129 V167 A169 L172 | V60-W64 PolarHBondContact O-N 3.42Å; V60-W64 VanDerWaalsContact O-N 3.11Å; W64-A66 VanDerWaalsContact C-N 3.3Å; W64-A66 PolarHBondContact O-N 3.15Å; W64-V67 PolarHBondContact O-N 3.4Å; W64-H68 WeakPolarHBondContact O-CB 3.26Å; W64-H68 PolarHBondContact O-N 2.88Å; W64-A124 HydrophobicContact CZ3-CB 3.86Å; W64-A124 WeakPolarHBondContact CZ3-O 3.1Å; W64-I127 HydrophobicContact CB-CD1 4.19Å; W64-I127 HydrophobicContact CB-CG1 4.11Å; W64-I127 HydrophobicContact CE3-CD1 4.47Å; W64-I127 HydrophobicContact CE3-CG1 3.79Å; W64-A128 HydrophobicContact CH2-CB 4.13Å; W64-A128 HydrophobicContact CZ3-CB 4.11Å; W64-P129 VanDerWaalsContact CE2-CD 3.42Å; W64-P129 HydrophobicContact CG-CG 4.36Å; W64-V167 HydrophobicContact CZ2-CG1 4.49Å; W64-V167 PolarHBondContact NE1-O 3.23Å; W64-A169 HydrophobicContact CZ2-CB 4.45Å; W64-L172 HydrophobicContact CH2-CB 4.15Å; W64-L172 HydrophobicContact CH2-CD2 3.85Å; W64-L172 HydrophobicContact CZ3-CD2 4.1Å |
| 65 | P | 79.5 | Confident | 79.5 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 178.3 | -21.2 | 32.1 | 0 | 0 | 0 | 113.2 | S61 T69 I164 | S61-P65 WeakPolarHBondContact O-CD 3.48Å; P65-T69 WeakPolarHBondContact O-CB 3.39Å; P65-T69 VanDerWaalsContact O-CG2 3.27Å; P65-T69 WeakPolarHBondContact O-CG2 3.39Å; P65-T69 PolarHBondContact O-N 3.24Å; P65-T69 PolarHBondContact O-OG1 2.93Å; P65-I164 HydrophobicContact CG-CG2 3.96Å |
| 66 | A | 79.4 | Confident | 79.7 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A63 W64 T69 R70 | A63-A66 PolarHBondContact O-N 3.16Å; A63-A66 VanDerWaalsContact O-N 3.12Å; W64-A66 VanDerWaalsContact C-N 3.3Å; W64-A66 PolarHBondContact O-N 3.15Å; A66-T69 WeakPolarHBondContact CA-OG1 3.18Å; A66-T69 PolarHBondContact O-OG1 2.89Å; A66-R70 VanDerWaalsContact O-CG 3.29Å; A66-R70 WeakPolarHBondContact O-CG 3.5Å; A66-R70 PolarHBondContact O-N 2.74Å |
| 67 | V | 84.4 | Confident | 79.7 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | A63 W64 T69 R70 L71 Y120 V123 A124 I127 | A63-V67 WeakPolarHBondContact O-CG2 3.5Å; A63-V67 PolarHBondContact O-N 3.01Å; W64-V67 PolarHBondContact O-N 3.4Å; V67-T69 VanDerWaalsContact C-N 3.35Å; V67-T69 PolarHBondContact O-N 3.23Å; V67-R70 PolarHBondContact O-N 2.78Å; V67-L71 WeakPolarHBondContact O-CB 3.29Å; V67-L71 PolarHBondContact O-N 3.11Å; V67-Y120 HydrophobicContact CG1-CD1 4.19Å; V67-Y120 WeakPolarHBondContact CG1-O 3.42Å; V67-V123 HydrophobicContact CG1-CB 4.18Å; V67-V123 HydrophobicContact CG1-CG1 4.01Å; V67-V123 HydrophobicContact CG2-CG1 3.89Å; V67-A124 HydrophobicContact CG1-CB 3.9Å; V67-I127 HydrophobicContact CB-CD1 4.19Å; V67-I127 HydrophobicContact CG2-CD1 3.99Å |
| 68 | H | 80.8 | Confident | 80.1 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 179.3 | -176.5 | -83.6 | 0 | 0 | 0 | 112.5 | W64 L71 N72 V167 | W64-H68 WeakPolarHBondContact O-CB 3.26Å; W64-H68 PolarHBondContact O-N 2.88Å; H68-L71 PolarHBondContact O-N 3.32Å; H68-N72 PolarHBondContact CE1-ND2 3.46Å; H68-N72 PolarHBondContact ND1-ND2 2.98Å; H68-N72 VanDerWaalsContact ND1-ND2 3.12Å; H68-N72 PolarHBondContact O-N 3.33Å; H68-N72 VanDerWaalsContact O-N 3.15Å; H68-N72 PolarHBondContact O-ND2 3Å; H68-V167 WeakPolarHBondContact CE1-CG1 3.46Å; H68-V167 WeakPolarHBondContact ND1-CG1 3.4Å; H68-V167 WeakPolarHBondContact NE2-CG1 3.41Å |
| 69 | T | 82.6 | Confident | 80.5 | Confident | 80 Ų | 80 | 51 Ų | 51 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.2 | 47.1 | 0 | 0 | 0 | 0 | 112.1 | P65 A66 V67 N72 A73 | P65-T69 WeakPolarHBondContact O-CB 3.39Å; P65-T69 VanDerWaalsContact O-CG2 3.27Å; P65-T69 WeakPolarHBondContact O-CG2 3.39Å; P65-T69 PolarHBondContact O-N 3.24Å; P65-T69 PolarHBondContact O-OG1 2.93Å; A66-T69 WeakPolarHBondContact CA-OG1 3.18Å; A66-T69 PolarHBondContact O-OG1 2.89Å; V67-T69 VanDerWaalsContact C-N 3.35Å; V67-T69 PolarHBondContact O-N 3.23Å; T69-N72 PolarHBondContact O-N 3.35Å; T69-A73 PolarHBondContact O-N 3.47Å; T69-A73 VanDerWaalsContact O-N 3.07Å |
| 70 | R | 85.1 | Confident | 80.4 | Confident | 146 Ų | 146 | 50.2 Ų | 50.2 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 175.7 | -71.8 | 177.1 | 178.2 | -160.1 | 3.7 | 112.4 | A66 V67 N72 A73 V74 Y120 | A66-R70 VanDerWaalsContact O-CG 3.29Å; A66-R70 WeakPolarHBondContact O-CG 3.5Å; A66-R70 PolarHBondContact O-N 2.74Å; V67-R70 PolarHBondContact O-N 2.78Å; R70-N72 PolarHBondContact O-N 2.96Å; R70-A73 PolarHBondContact O-N 3.05Å; R70-V74 WeakPolarHBondContact O-CG2 3.25Å; R70-V74 PolarHBondContact O-N 3.21Å; R70-Y120 HydrophobicContact CB-CD1 4.3Å; R70-Y120 HydrophobicContact CB-CD2 4.37Å; R70-Y120 HydrophobicContact CB-CE1 4.01Å; R70-Y120 HydrophobicContact CB-CE2 4.06Å; R70-Y120 HydrophobicContact CB-CG 4.49Å; R70-Y120 PolarHBondContact NH1-OH 3.17Å |
| 71 | L | 85.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 175.9 | -177.4 | 74.8 | 0 | 0 | 0 | 111.3 | V67 H68 A73 V74 F75 W117 L121 A124 L172 | V67-L71 WeakPolarHBondContact O-CB 3.29Å; V67-L71 PolarHBondContact O-N 3.11Å; H68-L71 PolarHBondContact O-N 3.32Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 2.99Å; L71-V74 PolarHBondContact O-N 2.74Å; L71-F75 WeakPolarHBondContact O-CB 3.45Å; L71-F75 PolarHBondContact O-N 3.19Å; L71-W117 VanDerWaalsContact CD1-CD1 3.42Å; L71-W117 HydrophobicContact CD1-CD2 4.38Å; L71-W117 HydrophobicContact CD1-CG 4.06Å; L71-L121 HydrophobicContact CD1-CB 3.84Å; L71-L121 HydrophobicContact CD2-CD1 4.15Å; L71-A124 HydrophobicContact CD2-CB 4.25Å; L71-L172 HydrophobicContact CD2-CD1 3.2Å |
| 72 | N | 85 | Confident | 80.3 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 178.9 | -77.2 | -70 | 0 | 0 | 0 | 112.5 | H68 T69 R70 F75 A76 L175 | H68-N72 PolarHBondContact CE1-ND2 3.46Å; H68-N72 PolarHBondContact ND1-ND2 2.98Å; H68-N72 VanDerWaalsContact ND1-ND2 3.12Å; H68-N72 PolarHBondContact O-N 3.33Å; H68-N72 VanDerWaalsContact O-N 3.15Å; H68-N72 PolarHBondContact O-ND2 3Å; T69-N72 PolarHBondContact O-N 3.35Å; R70-N72 PolarHBondContact O-N 2.96Å; N72-F75 PolarHBondContact O-N 3.4Å; N72-A76 PolarHBondContact O-N 2.88Å; N72-L175 WeakPolarHBondContact OD1-CD2 3.48Å |
| 73 | A | 83.8 | Confident | 79.6 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | T69 R70 L71 Y77 | T69-A73 PolarHBondContact O-N 3.47Å; T69-A73 VanDerWaalsContact O-N 3.07Å; R70-A73 PolarHBondContact O-N 3.05Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 2.99Å; A73-Y77 VanDerWaalsContact O-CD2 3.31Å; A73-Y77 WeakPolarHBondContact O-CD2 3.43Å; A73-Y77 WeakPolarHBondContact O-CE2 3.06Å |
| 74 | V | 83.8 | Confident | 78.6 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 11% | 0.109 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.7 | -35.4 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | R70 L71 A76 Y77 C113 L116 W117 Y120 | R70-V74 WeakPolarHBondContact O-CG2 3.25Å; R70-V74 PolarHBondContact O-N 3.21Å; L71-V74 PolarHBondContact O-N 2.74Å; V74-A76 PolarHBondContact O-N 2.99Å; V74-Y77 WeakPolarHBondContact O-CB 3.27Å; V74-Y77 PolarHBondContact O-N 3.24Å; V74-C113 HydrophobicContact CG1-CB 4.5Å; V74-C113 WeakPolarHBondContact CG1-O 3.13Å; V74-L116 HydrophobicContact CG2-CD2 4.08Å; V74-L116 HydrophobicContact CG2-CG 4.42Å; V74-W117 HydrophobicContact CB-CB 4.46Å; V74-W117 HydrophobicContact CG1-CB 3.77Å; V74-Y120 HydrophobicContact CG2-CD2 4.11Å; V74-Y120 HydrophobicContact CG2-CE2 4.03Å |
| 75 | F | 83.3 | Confident | 77.3 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 10% | 0.101 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.7 | -37.1 | -180 | -174.5 | -106.2 | 0 | 0 | 0 | 112.8 | L71 N72 Y77 I78 D79 W117 L175 L179 M187 | L71-F75 WeakPolarHBondContact O-CB 3.45Å; L71-F75 PolarHBondContact O-N 3.19Å; N72-F75 PolarHBondContact O-N 3.4Å; F75-Y77 PolarHBondContact O-N 2.92Å; F75-I78 HydrophobicContact CD2-CD1 4.16Å; F75-I78 HydrophobicContact CD2-CG1 4.09Å; F75-I78 WeakPolarHBondContact O-CG1 3.42Å; F75-I78 PolarHBondContact O-N 3.49Å; F75-D79 HydrophobicContact CD1-CB 4.36Å; F75-D79 HydrophobicContact CE1-CB 3.91Å; F75-D79 HydrophobicContact CZ-CB 4.07Å; F75-D79 PolarHBondContact O-N 3.25Å; F75-W117 AromaticContact CD2-CE2 3.83Å; F75-W117 AromaticContact CD2-CZ2 3.86Å; F75-W117 HydrophobicContact CD2-CZ2 3.86Å; F75-W117 AromaticContact CD2-NE1 3.58Å; F75-W117 HydrophobicContact CE2-CZ2 4.19Å; F75-L175 HydrophobicContact CD1-CD1 3.86Å; F75-L175 HydrophobicContact CE1-CD1 3.68Å; F75-L175 HydrophobicContact CE1-CG 4.48Å; F75-L175 HydrophobicContact CG-CD2 4.47Å; F75-L175 HydrophobicContact CZ-CD1 4.2Å; F75-L179 HydrophobicContact CE2-CD1 3.75Å; F75-L179 HydrophobicContact CE2-CD2 4.36Å; F75-L179 HydrophobicContact CZ-CD1 4.32Å; F75-L179 HydrophobicContact CZ-CD2 4.36Å; F75-M187 HydrophobicContact CD2-CE 4.34Å; F75-M187 HydrophobicContact CE2-CE 3.81Å |
| 76 | A | 80 | Confident | 76 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.1 | -24.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N72 V74 | N72-A76 PolarHBondContact O-N 2.88Å; V74-A76 PolarHBondContact O-N 2.99Å |
| 77 | Y | 78.8 | Confident | 74.6 | Confident | 153 Ų | 153 | 66.9 Ų | 66.9 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -89.4 | -19.5 | 178.4 | -61.2 | -80.1 | 0 | 0 | 0 | 113.7 | A73 V74 F75 N85 | A73-Y77 VanDerWaalsContact O-CD2 3.31Å; A73-Y77 WeakPolarHBondContact O-CD2 3.43Å; A73-Y77 WeakPolarHBondContact O-CE2 3.06Å; V74-Y77 WeakPolarHBondContact O-CB 3.27Å; V74-Y77 PolarHBondContact O-N 3.24Å; F75-Y77 PolarHBondContact O-N 2.92Å; Y77-N85 PolarHBondContact O-ND2 3.29Å; Y77-N85 VanDerWaalsContact O-ND2 3.14Å |
| 78 | I | 79.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -114.5 | -6.1 | -175.6 | 60.9 | 163.4 | 0 | 0 | 0 | 113.4 | F75 P80 Y110 C113 L114 W117 M187 | F75-I78 HydrophobicContact CD2-CD1 4.16Å; F75-I78 HydrophobicContact CD2-CG1 4.09Å; F75-I78 WeakPolarHBondContact O-CG1 3.42Å; F75-I78 PolarHBondContact O-N 3.49Å; I78-P80 VanDerWaalsContact O-CD 3.29Å; I78-P80 WeakPolarHBondContact O-CD 3.22Å; I78-P80 VanDerWaalsContact O-N 3.09Å; I78-Y110 HydrophobicContact CB-CE2 4.12Å; I78-Y110 HydrophobicContact CG2-CD2 4.47Å; I78-Y110 HydrophobicContact CG2-CE2 4.2Å; I78-C113 HydrophobicContact CG2-CB 3.64Å; I78-L114 HydrophobicContact CD1-CD1 4.11Å; I78-L114 HydrophobicContact CG2-CB 4.44Å; I78-W117 HydrophobicContact CD1-CB 3.52Å; I78-W117 HydrophobicContact CD1-CD2 3.23Å; I78-W117 HydrophobicContact CD1-CE3 3.64Å; I78-W117 HydrophobicContact CD1-CG 3.16Å; I78-W117 HydrophobicContact CD1-CZ2 4.46Å; I78-W117 HydrophobicContact CD1-CZ3 4.39Å; I78-W117 HydrophobicContact CG1-CG 4.36Å; I78-M187 HydrophobicContact CD1-CE 3.69Å; I78-M187 HydrophobicContact CD1-SD 4.04Å; I78-M187 HydrophobicContact CG1-CE 4.12Å |
| 79 | D | 80.3 | Confident | 71.3 | Confident | 39 Ų | 39 | 76.4 Ų | 76.4 | 21% | 0.209 | 41% | 0.407 | C | S | . | . | trans | -54.5 | 116.3 | -178.9 | -178.3 | 1.3 | 0 | 0 | 0 | 110 | F75 N81 S82 N85 | F75-D79 HydrophobicContact CD1-CB 4.36Å; F75-D79 HydrophobicContact CE1-CB 3.91Å; F75-D79 HydrophobicContact CZ-CB 4.07Å; F75-D79 PolarHBondContact O-N 3.25Å; D79-N81 PolarHBondContact O-N 2.73Å; D79-N81 WeakPolarHBondContact OD1-CB 2.77Å; D79-N81 PolarHBondContact OD1-N 3.46Å; D79-S82 WeakPolarHBondContact O-CB 3.29Å; D79-S82 PolarHBondContact O-N 3.14Å; D79-S82 VanDerWaalsContact O-N 3.13Å; D79-N85 PolarHBondContact O-ND2 3.03Å | ||
| 80 | P | 72.2 | Confident | 69.5 | Low | 44 Ų | 44 | 77.2 Ų | 77.2 | 29% | 0.286 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.3 | -179.4 | 26.5 | -33.7 | 0 | 0 | 0 | 112.6 | I78 L179 | I78-P80 VanDerWaalsContact O-CD 3.29Å; I78-P80 WeakPolarHBondContact O-CD 3.22Å; I78-P80 VanDerWaalsContact O-N 3.09Å; P80-L179 HydrophobicContact CG-CD2 4.14Å |
| 81 | N | 73.2 | Confident | 67.6 | Low | 136 Ų | 136 | 77.3 Ų | 77.3 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.8 | 176.1 | -58.9 | -48 | 0 | 0 | 0 | 113 | D79 P83 | D79-N81 PolarHBondContact O-N 2.73Å; D79-N81 WeakPolarHBondContact OD1-CB 2.77Å; D79-N81 PolarHBondContact OD1-N 3.46Å; N81-P83 WeakPolarHBondContact O-CD 3.36Å |
| 82 | S | 71 | Confident | 65.4 | Low | 21 Ų | 21 | 84.8 Ų | 84.8 | 15% | 0.147 | 47% | 0.465 | C | S | . | . | trans | -71.1 | 121.8 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 110 | D79 Q84 N85 | D79-S82 WeakPolarHBondContact O-CB 3.29Å; D79-S82 PolarHBondContact O-N 3.14Å; D79-S82 VanDerWaalsContact O-N 3.13Å; S82-Q84 PolarHBondContact O-N 3.4Å; S82-N85 PolarHBondContact O-N 3.14Å | ||
| 83 | P | 61.6 | Low | 63 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 66% | 0.662 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -15.3 | -179.4 | 23.3 | -32.4 | 0 | 0 | 0 | 113.1 | N81 N85 | N81-P83 WeakPolarHBondContact O-CD 3.36Å; P83-N85 VanDerWaalsContact C-N 3.34Å |
| 84 | Q | 59.3 | Low | 60.5 | Low | 153 Ų | 153 | 95.8 Ų | 95.8 | 72% | 0.715 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.7 | -24.5 | 175.1 | -65.5 | -175 | -6 | 0 | 0 | 113.2 | S82 | S82-Q84 PolarHBondContact O-N 3.4Å |
| 85 | N | 55.2 | Low | 58.1 | Low | 28 Ų | 28 | 100 Ų | 100 | 15% | 0.15 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -82.1 | -29.1 | -178.1 | -89.5 | -20.8 | 0 | 0 | 0 | 113.2 | Y77 D79 S82 P83 N87 R88 A89 | Y77-N85 PolarHBondContact O-ND2 3.29Å; Y77-N85 VanDerWaalsContact O-ND2 3.14Å; D79-N85 PolarHBondContact O-ND2 3.03Å; S82-N85 PolarHBondContact O-N 3.14Å; P83-N85 VanDerWaalsContact C-N 3.34Å; N85-N87 VanDerWaalsContact C-N 3.3Å; N85-N87 PolarHBondContact O-N 3.47Å; N85-R88 PolarHBondContact O-N 3.4Å; N85-R88 VanDerWaalsContact O-N 3.08Å; N85-A89 PolarHBondContact O-N 3.02Å |
| 86 | D | 50.7 | Low | 55.6 | Low | 116 Ų | 116 | 109.5 Ų | 109.5 | 62% | 0.62 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.8 | -38.2 | 175.6 | -86.8 | -23.8 | 0 | 0 | 0 | 112.4 | R88 S90 | D86-R88 VanDerWaalsContact C-N 3.29Å; D86-R88 PolarHBondContact O-N 2.85Å; D86-S90 PolarHBondContact O-N 3.27Å |
| 87 | N | 51.7 | Low | 53.3 | Low | 130 Ų | 130 | 112 Ų | 112 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70 | -22.7 | 176.9 | -79.2 | -19 | 0 | 0 | 0 | 113.5 | N85 | N85-N87 VanDerWaalsContact C-N 3.3Å; N85-N87 PolarHBondContact O-N 3.47Å |
| 88 | R | 48.3 | Very low | 51 | Low | 173 Ų | 173 | 114.5 Ų | 114.5 | 65% | 0.653 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88 | -35.3 | 176.4 | -80.8 | -179.3 | 156.7 | 170.7 | -5.9 | 112.5 | N85 D86 S90 L91 | N85-R88 PolarHBondContact O-N 3.4Å; N85-R88 VanDerWaalsContact O-N 3.08Å; D86-R88 VanDerWaalsContact C-N 3.29Å; D86-R88 PolarHBondContact O-N 2.85Å; R88-S90 VanDerWaalsContact C-N 3.29Å; R88-S90 PolarHBondContact O-N 2.83Å; R88-L91 PolarHBondContact O-N 3.17Å |
| 89 | A | 46.4 | Very low | 48.6 | Very low | 64 Ų | 64 | 118.6 Ų | 118.6 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.2 | -30.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N85 L91 | N85-A89 PolarHBondContact O-N 3.02Å; A89-L91 PolarHBondContact O-N 2.56Å |
| 90 | S | 44.4 | Very low | 46.2 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -18.2 | -179.8 | -153.7 | 0 | 0 | 0 | 0 | 114.5 | D86 R88 | D86-S90 PolarHBondContact O-N 3.27Å; R88-S90 VanDerWaalsContact C-N 3.29Å; R88-S90 PolarHBondContact O-N 2.83Å |
| 91 | L | 45.4 | Very low | 44.3 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -13 | 178.9 | -82.2 | 166.5 | 0 | 0 | 0 | 114 | R88 A89 | R88-L91 PolarHBondContact O-N 3.17Å; A89-L91 PolarHBondContact O-N 2.56Å |
| 92 | L | 39.7 | Very low | 42.4 | Very low | 156 Ų | 156 | 127 Ų | 127 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -97.7 | 2.7 | -176.9 | -67.7 | 174.3 | 0 | 0 | 0 | 114.3 | ||
| 93 | R | 35.1 | Very low | 40.5 | Very low | 217 Ų | 217 | 133.4 Ų | 133.4 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -119.6 | 85 | 169.1 | -70 | -173.7 | -168.5 | 146.6 | 3.1 | 109.8 | ||
| 94 | T | 31.9 | Very low | 39.2 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 163.3 | 145.7 | 135.3 | 42.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 95 | S | 32 | Very low | 38.1 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 92.5 | 99.7 | 157.4 | -40 | 0 | 0 | 0 | 0 | 118.4 | S97 | S95-S97 PolarHBondContact O-N 2.75Š| ||
| 96 | K | 31.9 | Very low | 37.5 | Very low | 221 Ų | 221 | 142.2 Ų | 142.2 | 96% | 0.961 | 78% | 0.78 | S | S | * | * | trans | -55 | 111.1 | 156.8 | -75.3 | 173 | 173.4 | 174 | 0 | 110.4 | ||||
| 97 | S | 31.8 | Very low | 37.5 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -155 | 137.5 | 153.8 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | S95 | S95-S97 PolarHBondContact O-N 2.75Š| ||
| 98 | K | 29.5 | Very low | 37.7 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | trans | -48.6 | 147.8 | -179.4 | -95.1 | 168.7 | 166.5 | 172.8 | 0 | 115.8 | ||||
| 99 | A | 29.3 | Very low | 38.5 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | 69.2 | 113.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 100 | T | 30.3 | Very low | 39.8 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | 172.4 | 143.8 | 95.1 | 26 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 101 | S | 30.9 | Very low | 41 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -67.4 | 126.4 | -178.9 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 102 | V | 34.4 | Very low | 42.4 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | trans | -134.1 | 129.9 | 156.1 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 103 | N | 31 | Very low | 44.3 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -62.6 | 131.2 | -173.5 | -74.6 | -21.5 | 0 | 0 | 0 | 114.2 | ||||
| 104 | A | 34.7 | Very low | 46.4 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 78% | 0.777 | 67% | 0.669 | S | S | * | * | trans | 38.7 | 80.2 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 105 | Q | 35.2 | Very low | 48.7 | Very low | 186 Ų | 186 | 110 Ų | 110 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | trans | -131.5 | 105.7 | 133 | -95.9 | 173.7 | -15.8 | 0 | 0 | 105.9 | T107 | Q105-T107 PolarHBondContact O-N 2.97Š| ||
| 106 | E | 42.2 | Very low | 51.1 | Low | 189 Ų | 189 | 108.5 Ų | 108.5 | 88% | 0.883 | 62% | 0.622 | S | S | * | * | trans | -53.9 | 98.6 | -175.1 | -69 | 173.5 | 158.9 | 0 | 0 | 110.7 | V108 | E106-V108 PolarHBondContact O-N 3.38Š| ||
| 107 | T | 51.5 | Low | 53.7 | Low | 130 Ų | 130 | 98 Ų | 98 | 80% | 0.798 | 58% | 0.576 | S | S | * | * | trans | -65.4 | 101.5 | 166.1 | 50.7 | 0 | 0 | 0 | 0 | 106.8 | Q105 S109 | Q105-T107 PolarHBondContact O-N 2.97Å; T107-S109 PolarHBondContact O-N 3.15Å | ||
| 108 | V | 56.4 | Low | 56.2 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 61% | 0.606 | 54% | 0.542 | S | S | * | . | trans | -51 | 108.1 | 174.3 | -172.1 | 0 | 0 | 0 | 0 | 108 | E106 C113 | E106-V108 PolarHBondContact O-N 3.38Å; V108-C113 WeakPolarHBondContact CG1-SG 3.49Å | ||
| 109 | S | 65.6 | Low | 58.9 | Low | 48 Ų | 48 | 86.2 Ų | 86.2 | 34% | 0.336 | 51% | 0.511 | S | S | . | . | trans | -67.5 | 147.6 | -179.8 | 61 | 0 | 0 | 0 | 0 | 109.2 | T107 T111 S112 C113 | T107-S109 PolarHBondContact O-N 3.15Å; S109-T111 WeakPolarHBondContact CB-OG1 3.47Å; S109-T111 PolarHBondContact O-N 3.4Å; S109-T111 VanDerWaalsContact O-N 3.17Å; S109-T111 PolarHBondContact OG-OG1 3.31Å; S109-S112 PolarHBondContact O-N 3.24Å; S109-S112 WeakPolarHBondContact OG-CB 3.43Å; S109-S112 PolarHBondContact OG-N 3.11Å; S109-S112 PolarHBondContact OG-OG 3.16Å; S109-C113 PolarHBondContact O-N 3.08Å; S109-C113 VanDerWaalsContact O-N 3.11Å | ||
| 110 | Y | 71.9 | Confident | 61.6 | Low | 71 Ų | 71 | 84.4 Ų | 84.4 | 28% | 0.278 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -50 | -40.2 | 173.2 | 172.8 | -90 | 0 | 0 | 0 | 111.4 | I78 S112 C113 L114 M184 | I78-Y110 HydrophobicContact CB-CE2 4.12Å; I78-Y110 HydrophobicContact CG2-CD2 4.47Å; I78-Y110 HydrophobicContact CG2-CE2 4.2Å; Y110-S112 PolarHBondContact O-N 3.26Å; Y110-C113 PolarHBondContact O-N 2.83Å; Y110-L114 HydrophobicContact CE1-CB 4.41Å; Y110-L114 HydrophobicContact CE1-CD2 4.02Å; Y110-L114 WeakPolarHBondContact O-CB 3.03Å; Y110-L114 PolarHBondContact O-N 3.28Å; Y110-M184 HydrophobicContact CE1-CE 3.46Å; Y110-M184 VanDerWaalsContact CE1-CE 3.46Å; Y110-M184 HydrophobicContact CE2-CE 4.36Å; Y110-M184 WeakPolarHBondContact OH-CE 3.37Å |
| 111 | T | 70.9 | Confident | 64.4 | Low | 94 Ų | 94 | 77.8 Ų | 77.8 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | S109 L114 G115 | S109-T111 WeakPolarHBondContact CB-OG1 3.47Å; S109-T111 PolarHBondContact O-N 3.4Å; S109-T111 VanDerWaalsContact O-N 3.17Å; S109-T111 PolarHBondContact OG-OG1 3.31Å; T111-L114 PolarHBondContact O-N 2.99Å; T111-G115 PolarHBondContact O-N 2.92Å |
| 112 | S | 73.8 | Confident | 67 | Low | 72 Ų | 72 | 72.3 Ų | 72.3 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 177.1 | -66 | 0 | 0 | 0 | 0 | 112.1 | S109 Y110 L114 G115 L116 | S109-S112 PolarHBondContact O-N 3.24Å; S109-S112 WeakPolarHBondContact OG-CB 3.43Å; S109-S112 PolarHBondContact OG-N 3.11Å; S109-S112 PolarHBondContact OG-OG 3.16Å; Y110-S112 PolarHBondContact O-N 3.26Å; S112-L114 VanDerWaalsContact C-N 3.34Å; S112-G115 PolarHBondContact O-N 3.36Å; S112-L116 WeakPolarHBondContact O-CB 3.36Å; S112-L116 PolarHBondContact O-N 2.88Å |
| 113 | C | 79.4 | Confident | 69.4 | Low | 17 Ų | 17 | 66.6 Ų | 66.6 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 172.7 | -78.7 | 0 | 0 | 0 | 0 | 111.7 | V74 I78 V108 S109 Y110 L116 W117 | V74-C113 HydrophobicContact CG1-CB 4.5Å; V74-C113 WeakPolarHBondContact CG1-O 3.13Å; I78-C113 HydrophobicContact CG2-CB 3.64Å; V108-C113 WeakPolarHBondContact CG1-SG 3.49Å; S109-C113 PolarHBondContact O-N 3.08Å; S109-C113 VanDerWaalsContact O-N 3.11Å; Y110-C113 PolarHBondContact O-N 2.83Å; C113-L116 PolarHBondContact O-N 3.23Å; C113-W117 WeakPolarHBondContact O-CB 3.32Å; C113-W117 PolarHBondContact O-N 3.22Å |
| 114 | L | 80.3 | Confident | 72 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 178.8 | -176.9 | 66.1 | 0 | 0 | 0 | 111.5 | I78 Y110 T111 S112 L116 W117 Q118 D186 M187 | I78-L114 HydrophobicContact CD1-CD1 4.11Å; I78-L114 HydrophobicContact CG2-CB 4.44Å; Y110-L114 HydrophobicContact CE1-CB 4.41Å; Y110-L114 HydrophobicContact CE1-CD2 4.02Å; Y110-L114 WeakPolarHBondContact O-CB 3.03Å; Y110-L114 PolarHBondContact O-N 3.28Å; T111-L114 PolarHBondContact O-N 2.99Å; S112-L114 VanDerWaalsContact C-N 3.34Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 2.85Å; L114-W117 HydrophobicContact CD1-CE3 4.19Å; L114-W117 PolarHBondContact O-N 3.13Å; L114-Q118 WeakPolarHBondContact O-CB 3.28Å; L114-Q118 PolarHBondContact O-N 3.3Å; L114-D186 HydrophobicContact CD2-CB 3.53Å; L114-M187 HydrophobicContact CD1-SD 3.44Å; L114-M187 WeakPolarHBondContact CD1-SD 3.42Å |
| 115 | G | 79.3 | Confident | 74.5 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | T111 S112 K119 | T111-G115 PolarHBondContact O-N 2.92Å; S112-G115 PolarHBondContact O-N 3.36Å; G115-K119 WeakPolarHBondContact O-CG 3.37Å; G115-K119 PolarHBondContact O-N 3.12Å |
| 116 | L | 82.3 | Confident | 76.8 | Confident | 76 Ų | 76 | 46 Ų | 46 | 40% | 0.398 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 173.7 | -177.7 | 62 | 0 | 0 | 0 | 111.9 | V74 S112 C113 L114 K119 Y120 | V74-L116 HydrophobicContact CG2-CD2 4.08Å; V74-L116 HydrophobicContact CG2-CG 4.42Å; S112-L116 WeakPolarHBondContact O-CB 3.36Å; S112-L116 PolarHBondContact O-N 2.88Å; C113-L116 PolarHBondContact O-N 3.23Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 2.85Å; L116-K119 PolarHBondContact O-N 2.9Å; L116-Y120 HydrophobicContact CD1-CD2 4.16Å; L116-Y120 HydrophobicContact CD1-CE2 3.59Å; L116-Y120 HydrophobicContact CD2-CE2 4.03Å; L116-Y120 HydrophobicContact CG-CD2 3.97Å; L116-Y120 HydrophobicContact CG-CE2 3.58Å; L116-Y120 VanDerWaalsContact O-CD2 3.29Å; L116-Y120 WeakPolarHBondContact O-CD2 3.39Å; L116-Y120 PolarHBondContact O-N 3.29Å; L116-Y120 VanDerWaalsContact O-N 3.09Å |
| 117 | W | 86.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 176 | -178.7 | 82.9 | 0 | 0 | 0 | 112 | L71 V74 F75 I78 C113 L114 K119 Y120 L121 L179 M187 V191 | L71-W117 VanDerWaalsContact CD1-CD1 3.42Å; L71-W117 HydrophobicContact CD1-CD2 4.38Å; L71-W117 HydrophobicContact CD1-CG 4.06Å; V74-W117 HydrophobicContact CB-CB 4.46Å; V74-W117 HydrophobicContact CG1-CB 3.77Å; F75-W117 AromaticContact CD2-CE2 3.83Å; F75-W117 AromaticContact CD2-CZ2 3.86Å; F75-W117 HydrophobicContact CD2-CZ2 3.86Å; F75-W117 AromaticContact CD2-NE1 3.58Å; F75-W117 HydrophobicContact CE2-CZ2 4.19Å; I78-W117 HydrophobicContact CD1-CB 3.52Å; I78-W117 HydrophobicContact CD1-CD2 3.23Å; I78-W117 HydrophobicContact CD1-CE3 3.64Å; I78-W117 HydrophobicContact CD1-CG 3.16Å; I78-W117 HydrophobicContact CD1-CZ2 4.46Å; I78-W117 HydrophobicContact CD1-CZ3 4.39Å; I78-W117 HydrophobicContact CG1-CG 4.36Å; C113-W117 WeakPolarHBondContact O-CB 3.32Å; C113-W117 PolarHBondContact O-N 3.22Å; L114-W117 HydrophobicContact CD1-CE3 4.19Å; L114-W117 PolarHBondContact O-N 3.13Å; W117-K119 VanDerWaalsContact C-N 3.32Å; W117-K119 PolarHBondContact O-N 3.34Å; W117-Y120 CarbonylContact O-C 3.44Å; W117-Y120 PolarHBondContact O-N 3.12Å; W117-L121 HydrophobicContact CE3-CD2 4.37Å; W117-L121 HydrophobicContact CH2-CD2 3.6Å; W117-L121 HydrophobicContact CZ2-CD2 4.06Å; W117-L121 HydrophobicContact CZ3-CD2 3.77Å; W117-L121 WeakPolarHBondContact O-CB 3.11Å; W117-L121 PolarHBondContact O-N 3.43Å; W117-L179 HydrophobicContact CH2-CD1 3.73Å; W117-L179 HydrophobicContact CZ2-CD1 3.97Å; W117-M187 HydrophobicContact CE3-SD 4.07Å; W117-M187 HydrophobicContact CH2-CE 4.03Å; W117-M187 HydrophobicContact CH2-SD 3.99Å; W117-M187 HydrophobicContact CZ2-CE 4.4Å; W117-M187 HydrophobicContact CZ3-CE 4.16Å; W117-M187 HydrophobicContact CZ3-SD 3.57Å; W117-M187 VanDerWaalsContact CZ3-SD 3.57Å; W117-V191 HydrophobicContact CH2-CG2 3.83Å; W117-V191 HydrophobicContact CZ3-CG2 4.23Å |
| 118 | Q | 85.5 | Confident | 80.3 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.2 | -46.8 | 175.1 | -177.1 | -174.8 | 47.3 | 0 | 0 | 111.1 | A40 L114 Y120 L121 V122 S190 L193 | A40-Q118 HydrophobicContact CB-CG 4.34Å; L114-Q118 WeakPolarHBondContact O-CB 3.28Å; L114-Q118 PolarHBondContact O-N 3.3Å; Q118-Y120 PolarHBondContact O-N 2.95Å; Q118-L121 PolarHBondContact O-N 2.84Å; Q118-V122 WeakPolarHBondContact O-CG2 3.29Å; Q118-V122 PolarHBondContact O-N 3.48Å; Q118-S190 PolarHBondContact NE2-OG 3.41Å; Q118-L193 HydrophobicContact CG-CD2 4.27Å |
| 119 | K | 84.8 | Confident | 81.2 | Confident | 55 Ų | 55 | 29 Ų | 29 | 24% | 0.239 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -47.8 | 176.3 | -69.9 | 165.3 | -166.9 | 173.7 | 0 | 112 | D37 W39 A40 L43 G115 L116 W117 L121 V123 | D37-K119 VanDerWaalsContact CG-CE 3.47Å; D37-K119 IonicContact OD1-NZ 3.16Å; D37-K119 WeakPolarHBondContact OD2-CE 3.31Å; D37-K119 IonicContact OD2-NZ 2.67Å; D37-K119 PolarHBondContact OD2-NZ 2.74Å; W39-K119 HydrophobicContact CB-CD 4.43Å; A40-K119 HydrophobicContact CB-CG 4.31Å; L43-K119 HydrophobicContact CD1-CB 3.99Å; L43-K119 HydrophobicContact CD1-CG 4.16Å; G115-K119 WeakPolarHBondContact O-CG 3.37Å; G115-K119 PolarHBondContact O-N 3.12Å; L116-K119 PolarHBondContact O-N 2.9Å; W117-K119 VanDerWaalsContact C-N 3.32Å; W117-K119 PolarHBondContact O-N 3.34Å; K119-L121 VanDerWaalsContact C-N 3.28Å; K119-L121 PolarHBondContact O-N 3.25Å; K119-V123 WeakPolarHBondContact O-CG2 3.16Å; K119-V123 PolarHBondContact O-N 2.68Å |
| 120 | Y | 87.1 | Confident | 81.5 | Confident | 46 Ų | 46 | 29.5 Ų | 29.5 | 18% | 0.18 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | 176.2 | -74.4 | -50.5 | 0 | 0 | 0 | 112.1 | V67 R70 V74 L116 W117 Q118 A124 | V67-Y120 HydrophobicContact CG1-CD1 4.19Å; V67-Y120 WeakPolarHBondContact CG1-O 3.42Å; R70-Y120 HydrophobicContact CB-CD1 4.3Å; R70-Y120 HydrophobicContact CB-CD2 4.37Å; R70-Y120 HydrophobicContact CB-CE1 4.01Å; R70-Y120 HydrophobicContact CB-CE2 4.06Å; R70-Y120 HydrophobicContact CB-CG 4.49Å; R70-Y120 PolarHBondContact NH1-OH 3.17Å; V74-Y120 HydrophobicContact CG2-CD2 4.11Å; V74-Y120 HydrophobicContact CG2-CE2 4.03Å; L116-Y120 HydrophobicContact CD1-CD2 4.16Å; L116-Y120 HydrophobicContact CD1-CE2 3.59Å; L116-Y120 HydrophobicContact CD2-CE2 4.03Å; L116-Y120 HydrophobicContact CG-CD2 3.97Å; L116-Y120 HydrophobicContact CG-CE2 3.58Å; L116-Y120 VanDerWaalsContact O-CD2 3.29Å; L116-Y120 WeakPolarHBondContact O-CD2 3.39Å; L116-Y120 PolarHBondContact O-N 3.29Å; L116-Y120 VanDerWaalsContact O-N 3.09Å; W117-Y120 CarbonylContact O-C 3.44Å; W117-Y120 PolarHBondContact O-N 3.12Å; Q118-Y120 PolarHBondContact O-N 2.95Å; Y120-A124 WeakPolarHBondContact O-CB 3.49Å; Y120-A124 PolarHBondContact O-N 2.77Å |
| 121 | L | 88 | Confident | 81.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | -178.7 | 179.3 | 61.4 | 0 | 0 | 0 | 110.6 | L71 W117 Q118 K119 A124 S125 L172 V176 S190 | L71-L121 HydrophobicContact CD1-CB 3.84Å; L71-L121 HydrophobicContact CD2-CD1 4.15Å; W117-L121 HydrophobicContact CE3-CD2 4.37Å; W117-L121 HydrophobicContact CH2-CD2 3.6Å; W117-L121 HydrophobicContact CZ2-CD2 4.06Å; W117-L121 HydrophobicContact CZ3-CD2 3.77Å; W117-L121 WeakPolarHBondContact O-CB 3.11Å; W117-L121 PolarHBondContact O-N 3.43Å; Q118-L121 PolarHBondContact O-N 2.84Å; K119-L121 VanDerWaalsContact C-N 3.28Å; K119-L121 PolarHBondContact O-N 3.25Å; L121-A124 PolarHBondContact O-N 3.19Å; L121-S125 WeakPolarHBondContact O-CB 3.27Å; L121-S125 PolarHBondContact O-N 3.2Å; L121-S125 PolarHBondContact O-OG 2.97Å; L121-L172 HydrophobicContact CD1-CD1 3.99Å; L121-V176 HydrophobicContact CD1-CG1 4.21Å; L121-V176 HydrophobicContact CD1-CG2 3.6Å; L121-V176 HydrophobicContact CD2-CG1 4.23Å; L121-S190 WeakPolarHBondContact CD2-O 3.37Å |
| 122 | V | 85.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 175.5 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | A40 Q118 A124 S125 A126 L193 | A40-V122 HydrophobicContact CB-CG2 4.39Å; Q118-V122 WeakPolarHBondContact O-CG2 3.29Å; Q118-V122 PolarHBondContact O-N 3.48Å; V122-A124 VanDerWaalsContact C-N 3.34Å; V122-S125 PolarHBondContact O-OG 2.95Å; V122-A126 VanDerWaalsContact O-CB 3.25Å; V122-A126 WeakPolarHBondContact O-CB 3.28Å; V122-A126 PolarHBondContact O-N 3.28Å; V122-A126 VanDerWaalsContact O-N 3.08Å; V122-L193 HydrophobicContact CG2-CD1 4.39Å; V122-L193 HydrophobicContact CG2-CD2 3.97Å; V122-L193 HydrophobicContact CG2-CG 3.64Å |
| 123 | V | 84.9 | Confident | 79 | Confident | 24 Ų | 24 | 36 Ų | 36 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | L43 V67 K119 A126 I127 | L43-V123 HydrophobicContact CB-CG2 3.92Å; L43-V123 HydrophobicContact CD1-CG2 3.87Å; L43-V123 HydrophobicContact CD2-CG2 3.98Å; L43-V123 HydrophobicContact CG-CG2 4.14Å; V67-V123 HydrophobicContact CG1-CB 4.18Å; V67-V123 HydrophobicContact CG1-CG1 4.01Å; V67-V123 HydrophobicContact CG2-CG1 3.89Å; K119-V123 WeakPolarHBondContact O-CG2 3.16Å; K119-V123 PolarHBondContact O-N 2.68Å; V123-A126 PolarHBondContact O-N 2.89Å; V123-I127 HydrophobicContact CG1-CD1 3.92Å; V123-I127 HydrophobicContact CG1-CG2 4.5Å; V123-I127 WeakPolarHBondContact O-CG1 3.45Å; V123-I127 WeakPolarHBondContact O-CG2 3.42Å; V123-I127 PolarHBondContact O-N 2.73Å |
| 124 | A | 86.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -54.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W64 V67 L71 Y120 L121 V122 A126 I127 A128 L172 | W64-A124 HydrophobicContact CZ3-CB 3.86Å; W64-A124 WeakPolarHBondContact CZ3-O 3.1Å; V67-A124 HydrophobicContact CG1-CB 3.9Å; L71-A124 HydrophobicContact CD2-CB 4.25Å; Y120-A124 WeakPolarHBondContact O-CB 3.49Å; Y120-A124 PolarHBondContact O-N 2.77Å; L121-A124 PolarHBondContact O-N 3.19Å; V122-A124 VanDerWaalsContact C-N 3.34Å; A124-A126 VanDerWaalsContact C-N 3.28Å; A124-A126 PolarHBondContact O-N 3.5Å; A124-I127 PolarHBondContact O-N 3.47Å; A124-A128 PolarHBondContact O-N 3.23Å; A124-L172 HydrophobicContact CB-CD1 4.39Å; A124-L172 HydrophobicContact CB-CD2 4Å |
| 125 | S | 85.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | -179.8 | 55 | 0 | 0 | 0 | 0 | 112.5 | L121 V122 A128 G194 I198 N199 | L121-S125 WeakPolarHBondContact O-CB 3.27Å; L121-S125 PolarHBondContact O-N 3.2Å; L121-S125 PolarHBondContact O-OG 2.97Å; V122-S125 PolarHBondContact O-OG 2.95Å; S125-A128 WeakPolarHBondContact O-CB 3.48Å; S125-G194 WeakPolarHBondContact CB-O 3.46Å; S125-G194 PolarHBondContact OG-O 2.87Å; S125-I198 WeakPolarHBondContact O-CA 3.19Å; S125-N199 PolarHBondContact O-N 3.05Å; S125-N199 VanDerWaalsContact O-N 3.1Å |
| 126 | A | 84.1 | Confident | 73.2 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.2 | -28.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T47 V122 V123 A124 S197 N199 | T47-A126 VanDerWaalsContact CB-CB 3.47Å; T47-A126 HydrophobicContact CG2-CB 4.17Å; T47-A126 WeakPolarHBondContact OG1-CB 3.25Å; V122-A126 VanDerWaalsContact O-CB 3.25Å; V122-A126 WeakPolarHBondContact O-CB 3.28Å; V122-A126 PolarHBondContact O-N 3.28Å; V122-A126 VanDerWaalsContact O-N 3.08Å; V123-A126 PolarHBondContact O-N 2.89Å; A124-A126 VanDerWaalsContact C-N 3.28Å; A124-A126 PolarHBondContact O-N 3.5Å; A126-S197 WeakPolarHBondContact CA-O 3.42Å; A126-S197 WeakPolarHBondContact CB-O 3.1Å; A126-S197 PolarHBondContact N-O 3.36Å; A126-N199 WeakPolarHBondContact O-CB 3.25Å |
| 127 | I | 84.3 | Confident | 71.2 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -101.2 | 7.2 | 177.8 | 74.8 | -171.5 | 0 | 0 | 0 | 113.7 | T47 L53 V60 A63 W64 V67 V123 A124 | T47-I127 HydrophobicContact CG2-CG2 4.06Å; L53-I127 HydrophobicContact CD2-CG2 4.35Å; V60-I127 HydrophobicContact CG1-CB 3.74Å; V60-I127 HydrophobicContact CG1-CG2 3.96Å; A63-I127 HydrophobicContact CB-CD1 4.03Å; W64-I127 HydrophobicContact CB-CD1 4.19Å; W64-I127 HydrophobicContact CB-CG1 4.11Å; W64-I127 HydrophobicContact CE3-CD1 4.47Å; W64-I127 HydrophobicContact CE3-CG1 3.79Å; V67-I127 HydrophobicContact CB-CD1 4.19Å; V67-I127 HydrophobicContact CG2-CD1 3.99Å; V123-I127 HydrophobicContact CG1-CD1 3.92Å; V123-I127 HydrophobicContact CG1-CG2 4.5Å; V123-I127 WeakPolarHBondContact O-CG1 3.45Å; V123-I127 WeakPolarHBondContact O-CG2 3.42Å; V123-I127 PolarHBondContact O-N 2.73Å; A124-I127 PolarHBondContact O-N 3.47Å |
| 128 | A | 82.7 | Confident | 68.8 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 132.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W64 A124 S125 A169 N199 T202 | W64-A128 HydrophobicContact CH2-CB 4.13Å; W64-A128 HydrophobicContact CZ3-CB 4.11Å; A124-A128 PolarHBondContact O-N 3.23Å; S125-A128 WeakPolarHBondContact O-CB 3.48Å; A128-A169 HydrophobicContact CB-CB 4.07Å; A128-N199 PolarHBondContact O-ND2 3.03Å; A128-N199 VanDerWaalsContact O-ND2 3.09Å; A128-T202 HydrophobicContact CB-CG2 4.01Å; A128-T202 WeakPolarHBondContact O-CG2 3.27Å |
| 129 | P | 76.2 | Confident | 66.5 | Low | 53 Ų | 53 | 71.3 Ų | 71.3 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -79 | 139.1 | -178.7 | 29.1 | -33.1 | 0 | 0 | 0 | 111.5 | W64 T202 | W64-P129 VanDerWaalsContact CE2-CD 3.42Å; W64-P129 HydrophobicContact CG-CG 4.36Å; P129-T202 VanDerWaalsContact O-CG2 3.29Å; P129-T202 WeakPolarHBondContact O-CG2 3.05Å |
| 130 | P | 72 | Confident | 64.2 | Low | 60 Ų | 60 | 73.5 Ų | 73.5 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 151.9 | 173.4 | 25.9 | -32.7 | 0 | 0 | 0 | 112 | L132 L201 T202 | P130-L132 PolarHBondContact O-N 2.89Å; P130-L201 HydrophobicContact CB-CB 4.18Å; P130-L201 HydrophobicContact CG-CB 4.48Å; P130-T202 HydrophobicContact CB-CG2 4.43Å |
| 131 | Q | 66.1 | Low | 61.5 | Low | 93 Ų | 93 | 77.7 Ų | 77.7 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -70.5 | -5.7 | -174 | -77.3 | -170.8 | 8.6 | 0 | 0 | 115.3 | N170 S205 | Q131-N170 PolarHBondContact NE2-ND2 3.39Å; Q131-N170 PolarHBondContact NE2-OD1 3.24Å; Q131-S205 VanDerWaalsContact CG-OG 3.31Å; Q131-S205 WeakPolarHBondContact CG-OG 3.42Å; Q131-S205 PolarHBondContact NE2-OG 3.01Å |
| 132 | L | 53.6 | Low | 58.7 | Low | 151 Ų | 151 | 82.3 Ų | 82.3 | 79% | 0.791 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -87.5 | 120.7 | -174 | -83.6 | 113 | 0 | 0 | 0 | 114.7 | P130 | P130-L132 PolarHBondContact O-N 2.89Š|
| 133 | N | 44.5 | Very low | 56.2 | Low | 130 Ų | 130 | 88 Ų | 88 | 70% | 0.695 | 50% | 0.496 | S | S | * | . | trans | 68.5 | 97.2 | 163.3 | -68.8 | -17.3 | 0 | 0 | 0 | 118.8 | T135 | N133-T135 VanDerWaalsContact C-N 3.27Å; N133-T135 PolarHBondContact O-N 3.32Å | ||
| 134 | P | 42.7 | Very low | 53.7 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 75% | 0.747 | 53% | 0.527 | S | S | * | . | trans | -80.6 | 66.9 | 173.9 | 35.5 | -34 | 0 | 0 | 0 | 111.2 | ||||
| 135 | T | 35.4 | Very low | 51.1 | Low | 113 Ų | 113 | 97 Ų | 97 | 69% | 0.693 | 56% | 0.558 | S | S | * | * | trans | -151.3 | 91.9 | 171 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | N133 | N133-T135 VanDerWaalsContact C-N 3.27Å; N133-T135 PolarHBondContact O-N 3.32Å | ||
| 136 | T | 38.4 | Very low | 48.5 | Very low | 121 Ų | 121 | 105.4 Ų | 105.4 | 74% | 0.742 | 60% | 0.603 | S | S | * | * | -165.5 | 92.1 | 129.2 | -57.8 | 0 | 0 | 0 | 0 | 105.8 | L138 | T136-L138 HydrophobicContact CG2-CG 4.34Å; T136-L138 PolarHBondContact O-N 3.19Å | |||
| 137 | I | 40 | Very low | 45.8 | Very low | 168 Ų | 168 | 112.9 Ų | 112.9 | 86% | 0.862 | 64% | 0.637 | S | S | * | * | trans | -66.4 | 91.6 | 168 | -61.9 | 172 | 0 | 0 | 0 | 106 | R139 | I137-R139 PolarHBondContact O-N 2.77Š| ||
| 138 | L | 36.9 | Very low | 43.1 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | trans | -67 | 100 | 172.7 | -105.5 | 148 | 0 | 0 | 0 | 107.7 | T136 S140 | T136-L138 HydrophobicContact CG2-CG 4.34Å; T136-L138 PolarHBondContact O-N 3.19Å; L138-S140 PolarHBondContact O-N 3.27Å | ||
| 139 | R | 35.7 | Very low | 40.4 | Very low | 231 Ų | 231 | 125 Ų | 125 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | trans | -55.9 | 123 | 171.2 | -105.4 | -179.6 | 177.3 | 167.9 | -0.4 | 108.8 | I137 V141 | I137-R139 PolarHBondContact O-N 2.77Å; R139-V141 PolarHBondContact O-N 3.39Å | ||
| 140 | S | 37 | Very low | 38.4 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -54.7 | 117.9 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | L138 | L138-S140 PolarHBondContact O-N 3.27Š| ||
| 141 | V | 31.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -85.7 | 112.6 | 154.2 | 179.4 | 0 | 0 | 0 | 0 | 105.8 | R139 P143 | R139-V141 PolarHBondContact O-N 3.39Å; V141-P143 VanDerWaalsContact O-CD 3.23Å; V141-P143 WeakPolarHBondContact O-CD 3.32Å | ||
| 142 | S | 28.5 | Very low | 34.7 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -55.2 | 114.8 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | V144 | S142-V144 PolarHBondContact O-N 3.36Š| ||
| 143 | P | 34 | Very low | 33.6 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -72.8 | 112.9 | 170.9 | -7.2 | 24.9 | 0 | 0 | 0 | 107.2 | V141 A145 | V141-P143 VanDerWaalsContact O-CD 3.23Å; V141-P143 WeakPolarHBondContact O-CD 3.32Å; P143-A145 PolarHBondContact O-N 3.02Å | ||
| 144 | V | 32.1 | Very low | 33 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -47.4 | 130.6 | 172.9 | 171.2 | 0 | 0 | 0 | 0 | 109.7 | S142 L146 | S142-V144 PolarHBondContact O-N 3.36Å; V144-L146 PolarHBondContact O-N 3.26Å; V144-L146 VanDerWaalsContact O-N 3.15Å | ||
| 145 | A | 32.9 | Very low | 32.6 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | -44.8 | 113.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P143 Q147 | P143-A145 PolarHBondContact O-N 3.02Å; A145-Q147 PolarHBondContact O-N 3.39Å | ||
| 146 | L | 29.9 | Very low | 32.7 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | -72.4 | 92.4 | 152.4 | -81.6 | 166.9 | 0 | 0 | 0 | 106.6 | V144 C148 | V144-L146 PolarHBondContact O-N 3.26Å; V144-L146 VanDerWaalsContact O-N 3.15Å; L146-C148 PolarHBondContact O-N 3.01Å | ||
| 147 | Q | 27.8 | Very low | 32.5 | Very low | 158 Ų | 158 | 140 Ų | 140 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -55.8 | 111.7 | 160.3 | -73.6 | 171.2 | -49.6 | 0 | 0 | 108.5 | A145 | A145-Q147 PolarHBondContact O-N 3.39Š| ||
| 148 | C | 27.3 | Very low | 32.1 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -109.9 | 105.6 | 141.7 | -93.1 | 0 | 0 | 0 | 0 | 106 | L146 | L146-C148 PolarHBondContact O-N 3.01Š| ||
| 149 | D | 27.1 | Very low | 32 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -58.3 | 136.2 | 168.7 | -71.1 | -44.8 | 0 | 0 | 0 | 111 | ||||
| 150 | L | 32.6 | Very low | 31.8 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | 176.3 | 99.9 | 126.7 | -92.3 | 154.2 | 0 | 0 | 0 | 109.1 | |||||
| 151 | F | 29.9 | Very low | 31.7 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | trans | 32 | 107.1 | 153.2 | -72.7 | -92 | 0 | 0 | 0 | 118.8 | ||||
| 152 | D | 30.4 | Very low | 32 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 86.3 | 105 | 65.1 | -87.4 | -34.1 | 0 | 0 | 0 | 115.8 | |||||
| 153 | N | 31.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | -154.2 | 82.3 | 123.3 | -106.6 | -28.9 | 0 | 0 | 0 | 112.2 | |||||
| 154 | S | 31.4 | Very low | 33.3 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | trans | 32.8 | 103.3 | 131.4 | 64.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 155 | K | 34.2 | Very low | 34.2 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | -161.1 | 92.5 | 129.1 | -102.7 | 175.2 | -168.8 | 179.2 | 0 | 108.4 | S157 | K155-S157 PolarHBondContact O-N 3.29Å; K155-S157 VanDerWaalsContact O-N 3.11Å | |||
| 156 | P | 37 | Very low | 35.4 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -77.2 | 103.3 | 179.4 | 31 | -28.4 | 0 | 0 | 0 | 108.1 | E158 | P156-E158 PolarHBondContact O-N 2.95Š| ||
| 157 | S | 34.5 | Very low | 37.3 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -77 | 118.4 | 164 | -63.3 | 0 | 0 | 0 | 0 | 107.4 | K155 L159 | K155-S157 PolarHBondContact O-N 3.29Å; K155-S157 VanDerWaalsContact O-N 3.11Å; S157-L159 PolarHBondContact O-N 3.31Å | ||
| 158 | E | 31.9 | Very low | 39.6 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | trans | -46.3 | 103 | 178 | -65.3 | 178 | 160.9 | 0 | 0 | 111.3 | P156 K160 | P156-E158 PolarHBondContact O-N 2.95Å; E158-K160 VanDerWaalsContact C-N 3.27Å; E158-K160 PolarHBondContact O-N 2.97Å | ||
| 159 | L | 34.3 | Very low | 42.2 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | trans | -74.3 | 85.5 | 171.6 | -129.2 | 113.8 | 0 | 0 | 0 | 107.7 | S157 V161 | S157-L159 PolarHBondContact O-N 3.31Å; L159-V161 VanDerWaalsContact C-N 3.35Å; L159-V161 PolarHBondContact O-N 3.47Å | ||
| 160 | K | 32.2 | Very low | 44.9 | Very low | 177 Ų | 177 | 122 Ų | 122 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | trans | -61.3 | 101.1 | 162.1 | -79.6 | 179.9 | 179 | 171.6 | 0 | 107.3 | E158 P162 | E158-K160 VanDerWaalsContact C-N 3.27Å; E158-K160 PolarHBondContact O-N 2.97Å; K160-P162 WeakPolarHBondContact O-CD 3.29Å | ||
| 161 | V | 34.1 | Very low | 47.4 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | trans | -53.5 | 111.4 | 169.2 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | L159 R163 | L159-V161 VanDerWaalsContact C-N 3.35Å; L159-V161 PolarHBondContact O-N 3.47Å; V161-R163 PolarHBondContact O-N 3.36Å | ||
| 162 | P | 37.6 | Very low | 50.1 | Low | 105 Ų | 105 | 110.5 Ų | 110.5 | 68% | 0.682 | 59% | 0.586 | S | S | * | * | trans | -65.2 | 135.1 | -179.6 | -14.8 | 29 | 0 | 0 | 0 | 108.2 | K160 I164 | K160-P162 WeakPolarHBondContact O-CD 3.29Å; P162-I164 PolarHBondContact O-N 3.49Å; P162-I164 VanDerWaalsContact O-N 3.08Å | ||
| 163 | R | 42.1 | Very low | 52.8 | Low | 243 Ų | 243 | 104.2 Ų | 104.2 | 92% | 0.917 | 55% | 0.553 | S | S | * | * | trans | -48.8 | 121 | 166.3 | -73.2 | 179.9 | 177.2 | 162.1 | -1.1 | 107.3 | V161 S165 | V161-R163 PolarHBondContact O-N 3.36Å; R163-S165 PolarHBondContact O-N 3.46Å | ||
| 164 | I | 47.7 | Very low | 55.5 | Low | 107 Ų | 107 | 103 Ų | 103 | 55% | 0.549 | 54% | 0.536 | S | S | . | . | trans | -52.4 | 102.9 | 177.5 | -60.1 | 165.9 | 0 | 0 | 0 | 106.6 | Y62 P65 P162 N166 | Y62-I164 HydrophobicContact CE1-CD1 4.43Å; P65-I164 HydrophobicContact CG-CG2 3.96Å; P162-I164 PolarHBondContact O-N 3.49Å; P162-I164 VanDerWaalsContact O-N 3.08Å; I164-N166 PolarHBondContact O-N 3.03Å | ||
| 165 | S | 51.7 | Low | 58.1 | Low | 74 Ų | 74 | 100.9 Ų | 100.9 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | trans | -66.1 | 130.9 | 168.2 | 47.1 | 0 | 0 | 0 | 0 | 106.2 | R163 V167 | R163-S165 PolarHBondContact O-N 3.46Å; S165-V167 PolarHBondContact O-N 2.94Å | ||
| 166 | N | 58.7 | Low | 60.7 | Low | 146 Ų | 146 | 91.4 Ų | 91.4 | 78% | 0.781 | 48% | 0.477 | S | S | * | . | trans | -66.3 | 80 | 173.5 | -76.6 | -7.3 | 0 | 0 | 0 | 108.7 | I164 C168 | I164-N166 PolarHBondContact O-N 3.03Å; N166-C168 PolarHBondContact O-N 3.11Å | ||
| 167 | V | 68.8 | Low | 63.2 | Low | 24 Ų | 24 | 85.4 Ų | 85.4 | 15% | 0.145 | 44% | 0.438 | C | S | . | . | trans | -79.4 | 107.4 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 108 | W64 H68 S165 | W64-V167 HydrophobicContact CZ2-CG1 4.49Å; W64-V167 PolarHBondContact NE1-O 3.23Å; H68-V167 WeakPolarHBondContact CE1-CG1 3.46Å; H68-V167 WeakPolarHBondContact ND1-CG1 3.4Å; H68-V167 WeakPolarHBondContact NE2-CG1 3.41Å; S165-V167 PolarHBondContact O-N 2.94Å | ||
| 168 | C | 77.1 | Confident | 65.8 | Low | 50 Ų | 50 | 83.2 Ų | 83.2 | 34% | 0.338 | 42% | 0.421 | S | S | . | . | trans | -73.3 | 146.1 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | N166 N170 H171 | N166-C168 PolarHBondContact O-N 3.11Å; C168-N170 PolarHBondContact O-N 3.42Å; C168-H171 PolarHBondContact O-N 3.21Å; C168-H171 VanDerWaalsContact O-N 3.17Å | ||
| 169 | A | 81.5 | Confident | 68.4 | Low | 2 Ų | 2 | 75.4 Ų | 75.4 | 2% | 0.017 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.3 | -30.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W64 A128 H171 L172 F173 | W64-A169 HydrophobicContact CZ2-CB 4.45Å; A128-A169 HydrophobicContact CB-CB 4.07Å; A169-H171 PolarHBondContact O-N 3.45Å; A169-H171 VanDerWaalsContact O-N 3.15Å; A169-L172 WeakPolarHBondContact O-CA 3.27Å; A169-L172 VanDerWaalsContact O-CB 3.26Å; A169-L172 WeakPolarHBondContact O-CB 3.47Å; A169-L172 PolarHBondContact O-N 2.76Å; A169-F173 HydrophobicContact CB-CE2 3.96Å; A169-F173 HydrophobicContact CB-CZ 4.02Å; A169-F173 PolarHBondContact O-N 2.94Å; A169-F173 VanDerWaalsContact O-N 3.16Å |
| 170 | N | 84.4 | Confident | 70.9 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -26.6 | 179.6 | -58.7 | 1.4 | 0 | 0 | 0 | 112.9 | Q131 C168 L172 F173 R174 | Q131-N170 PolarHBondContact NE2-ND2 3.39Å; Q131-N170 PolarHBondContact NE2-OD1 3.24Å; C168-N170 PolarHBondContact O-N 3.42Å; N170-L172 VanDerWaalsContact C-N 3.34Å; N170-F173 PolarHBondContact O-N 3.37Å; N170-R174 WeakPolarHBondContact O-CG 3.35Å; N170-R174 PolarHBondContact O-N 2.86Å |
| 171 | H | 83.9 | Confident | 73.4 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 174.1 | -63.6 | 129.4 | 0 | 0 | 0 | 111.9 | C168 A169 L175 | C168-H171 PolarHBondContact O-N 3.21Å; C168-H171 VanDerWaalsContact O-N 3.17Å; A169-H171 PolarHBondContact O-N 3.45Å; A169-H171 VanDerWaalsContact O-N 3.15Å; H171-L175 PolarHBondContact O-N 2.88Å |
| 172 | L | 86.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 172.8 | 177.9 | 69.8 | 0 | 0 | 0 | 110.1 | W64 L71 L121 A124 A169 N170 R174 L175 V176 | W64-L172 HydrophobicContact CH2-CB 4.15Å; W64-L172 HydrophobicContact CH2-CD2 3.85Å; W64-L172 HydrophobicContact CZ3-CD2 4.1Å; L71-L172 HydrophobicContact CD2-CD1 3.2Å; L121-L172 HydrophobicContact CD1-CD1 3.99Å; A124-L172 HydrophobicContact CB-CD1 4.39Å; A124-L172 HydrophobicContact CB-CD2 4Å; A169-L172 WeakPolarHBondContact O-CA 3.27Å; A169-L172 VanDerWaalsContact O-CB 3.26Å; A169-L172 WeakPolarHBondContact O-CB 3.47Å; A169-L172 PolarHBondContact O-N 2.76Å; N170-L172 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 3.17Å; L172-L175 WeakPolarHBondContact O-CB 3.41Å; L172-L175 PolarHBondContact O-N 3.42Å; L172-V176 HydrophobicContact CD1-CG2 3.93Å; L172-V176 HydrophobicContact CG-CG2 4.33Å; L172-V176 WeakPolarHBondContact O-CB 3.27Å; L172-V176 WeakPolarHBondContact O-CG2 3.13Å; L172-V176 PolarHBondContact O-N 3.48Å |
| 173 | F | 88.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | -178.5 | -54.7 | -33.5 | 0 | 0 | 0 | 112 | A169 N170 L175 V176 L177 L195 I198 L206 E209 | A169-F173 HydrophobicContact CB-CE2 3.96Å; A169-F173 HydrophobicContact CB-CZ 4.02Å; A169-F173 PolarHBondContact O-N 2.94Å; A169-F173 VanDerWaalsContact O-N 3.16Å; N170-F173 PolarHBondContact O-N 3.37Å; F173-L175 VanDerWaalsContact C-N 3.28Å; F173-L175 PolarHBondContact O-N 3.35Å; F173-V176 PolarHBondContact O-N 2.8Å; F173-V176 VanDerWaalsContact O-N 3.16Å; F173-L177 HydrophobicContact CB-CD1 4.07Å; F173-L177 HydrophobicContact CB-CG 4.42Å; F173-L177 VanDerWaalsContact O-CB 3.26Å; F173-L177 WeakPolarHBondContact O-CB 3.42Å; F173-L177 WeakPolarHBondContact O-CG 3.36Å; F173-L177 PolarHBondContact O-N 3.39Å; F173-L195 HydrophobicContact CD1-CD2 4.08Å; F173-I198 HydrophobicContact CE1-CD1 3.77Å; F173-I198 HydrophobicContact CZ-CD1 3.54Å; F173-L206 HydrophobicContact CB-CD1 4.41Å; F173-L206 HydrophobicContact CD1-CD1 3.75Å; F173-L206 HydrophobicContact CD2-CB 4.36Å; F173-L206 HydrophobicContact CD2-CD1 4.4Å; F173-L206 HydrophobicContact CE1-CB 4.34Å; F173-L206 HydrophobicContact CE1-CD1 4.09Å; F173-L206 HydrophobicContact CE2-CB 4.04Å; F173-L206 HydrophobicContact CG-CD1 3.94Å; F173-L206 HydrophobicContact CZ-CB 4.04Å; F173-E209 HydrophobicContact CB-CB 4.48Å; F173-E209 HydrophobicContact CB-CG 4.48Å |
| 174 | R | 86.7 | Confident | 79.2 | Confident | 134 Ų | 134 | 51.2 Ų | 51.2 | 51% | 0.506 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 176.9 | -70.7 | 177.3 | -164 | 156.6 | 8.4 | 113.9 | N170 L172 P178 E209 | N170-R174 WeakPolarHBondContact O-CG 3.35Å; N170-R174 PolarHBondContact O-N 2.86Å; L172-R174 PolarHBondContact O-N 3.17Å; R174-P178 VanDerWaalsContact O-CD 3.23Å; R174-P178 WeakPolarHBondContact O-CD 3.29Å; R174-P178 WeakPolarHBondContact O-CG 3.41Å; R174-E209 IonicContact CZ-OE1 3.73Å; R174-E209 IonicContact NE-OE1 3.83Å; R174-E209 PolarHBondContact NE-OE1 3.06Å; R174-E209 VanDerWaalsContact NE-OE1 3.1Å; R174-E209 IonicContact NE-OE2 3.81Å; R174-E209 IonicContact NH2-OE1 2.73Å; R174-E209 PolarHBondContact NH2-OE1 2.93Å |
| 175 | L | 86.6 | Confident | 80.6 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 173.7 | -177.2 | 71.6 | 0 | 0 | 0 | 111.4 | N72 F75 H171 L172 F173 | N72-L175 WeakPolarHBondContact OD1-CD2 3.48Å; F75-L175 HydrophobicContact CD1-CD1 3.86Å; F75-L175 HydrophobicContact CE1-CD1 3.68Å; F75-L175 HydrophobicContact CE1-CG 4.48Å; F75-L175 HydrophobicContact CG-CD2 4.47Å; F75-L175 HydrophobicContact CZ-CD1 4.2Å; H171-L175 PolarHBondContact O-N 2.88Å; L172-L175 WeakPolarHBondContact O-CB 3.41Å; L172-L175 PolarHBondContact O-N 3.42Å; F173-L175 VanDerWaalsContact C-N 3.28Å; F173-L175 PolarHBondContact O-N 3.35Å |
| 176 | V | 88.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -94.2 | -38.8 | -164.8 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | L121 L172 F173 P178 L179 V191 L195 | L121-V176 HydrophobicContact CD1-CG1 4.21Å; L121-V176 HydrophobicContact CD1-CG2 3.6Å; L121-V176 HydrophobicContact CD2-CG1 4.23Å; L172-V176 HydrophobicContact CD1-CG2 3.93Å; L172-V176 HydrophobicContact CG-CG2 4.33Å; L172-V176 WeakPolarHBondContact O-CB 3.27Å; L172-V176 WeakPolarHBondContact O-CG2 3.13Å; L172-V176 PolarHBondContact O-N 3.48Å; F173-V176 PolarHBondContact O-N 2.8Å; F173-V176 VanDerWaalsContact O-N 3.16Å; V176-P178 VanDerWaalsContact C-CD 3.49Å; V176-L179 VanDerWaalsContact O-CB 3.22Å; V176-L179 WeakPolarHBondContact O-CB 3.46Å; V176-L179 PolarHBondContact O-N 3.11Å; V176-V191 HydrophobicContact CG1-CB 4.29Å; V176-V191 HydrophobicContact CG1-CG1 3.59Å; V176-V191 HydrophobicContact CG1-CG2 4.08Å; V176-L195 HydrophobicContact CB-CD2 4.38Å; V176-L195 HydrophobicContact CG1-CD1 4.02Å; V176-L195 HydrophobicContact CG1-CD2 3.84Å; V176-L195 HydrophobicContact CG1-CG 3.82Å |
| 177 | L | 90.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57.9 | -39.4 | -176.7 | -72.6 | 173.2 | 0 | 0 | 0 | 114.9 | F173 L179 L180 L195 L206 E209 L210 Y213 | F173-L177 HydrophobicContact CB-CD1 4.07Å; F173-L177 HydrophobicContact CB-CG 4.42Å; F173-L177 VanDerWaalsContact O-CB 3.26Å; F173-L177 WeakPolarHBondContact O-CB 3.42Å; F173-L177 WeakPolarHBondContact O-CG 3.36Å; F173-L177 PolarHBondContact O-N 3.39Å; L177-L179 PolarHBondContact O-N 3.17Å; L177-L179 VanDerWaalsContact O-N 3.15Å; L177-L180 HydrophobicContact CD2-CD1 3.81Å; L177-L180 WeakPolarHBondContact O-CB 3.44Å; L177-L180 WeakPolarHBondContact O-CG 3.48Å; L177-L180 PolarHBondContact O-N 3.47Å; L177-L180 VanDerWaalsContact O-N 3.16Å; L177-L195 HydrophobicContact CD2-CD1 3.75Å; L177-L206 HydrophobicContact CD2-CD1 4.15Å; L177-E209 HydrophobicContact CD1-CB 3.62Å; L177-L210 HydrophobicContact CD2-CD2 3.39Å; L177-L210 HydrophobicContact CD2-CG 3.99Å; L177-Y213 HydrophobicContact CB-CD2 4.37Å; L177-Y213 HydrophobicContact CB-CE1 4.35Å; L177-Y213 HydrophobicContact CB-CE2 3.7Å; L177-Y213 HydrophobicContact CD1-CD2 4.35Å; L177-Y213 HydrophobicContact CD1-CE2 3.97Å; L177-Y213 HydrophobicContact CG-CE2 4.38Å |
| 178 | P | 87.8 | Confident | 83.4 | Confident | 63 Ų | 63 | 42.8 Ų | 42.8 | 41% | 0.409 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -58 | -27.5 | 174.4 | -24.6 | 34.3 | 0 | 0 | 0 | 113.7 | R174 V176 L180 R181 | R174-P178 VanDerWaalsContact O-CD 3.23Å; R174-P178 WeakPolarHBondContact O-CD 3.29Å; R174-P178 WeakPolarHBondContact O-CG 3.41Å; V176-P178 VanDerWaalsContact C-CD 3.49Å; P178-L180 PolarHBondContact O-N 2.95Å; P178-R181 PolarHBondContact O-N 3.38Å |
| 179 | L | 87.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -74.1 | -13.4 | -177.7 | -54.7 | 170.5 | 0 | 0 | 0 | 113 | F75 P80 W117 V176 L177 R181 C182 M187 V191 | F75-L179 HydrophobicContact CE2-CD1 3.75Å; F75-L179 HydrophobicContact CE2-CD2 4.36Å; F75-L179 HydrophobicContact CZ-CD1 4.32Å; F75-L179 HydrophobicContact CZ-CD2 4.36Å; P80-L179 HydrophobicContact CG-CD2 4.14Å; W117-L179 HydrophobicContact CH2-CD1 3.73Å; W117-L179 HydrophobicContact CZ2-CD1 3.97Å; V176-L179 VanDerWaalsContact O-CB 3.22Å; V176-L179 WeakPolarHBondContact O-CB 3.46Å; V176-L179 PolarHBondContact O-N 3.11Å; L177-L179 PolarHBondContact O-N 3.17Å; L177-L179 VanDerWaalsContact O-N 3.15Å; L179-R181 PolarHBondContact O-N 3.48Å; L179-R181 VanDerWaalsContact O-N 3.11Å; L179-C182 WeakPolarHBondContact O-CB 3.49Å; L179-C182 PolarHBondContact O-N 3Å; L179-M187 HydrophobicContact CD1-CE 3.9Å; L179-M187 HydrophobicContact CD2-CE 4.2Å; L179-V191 HydrophobicContact CB-CG2 3.72Å; L179-V191 HydrophobicContact CD1-CG2 4.08Å |
| 180 | L | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -58.2 | -23.1 | 171.4 | -69.4 | 171 | 0 | 0 | 0 | 112.3 | L177 P178 R188 V191 V192 L195 L210 L234 Q237 | L177-L180 HydrophobicContact CD2-CD1 3.81Å; L177-L180 WeakPolarHBondContact O-CB 3.44Å; L177-L180 WeakPolarHBondContact O-CG 3.48Å; L177-L180 PolarHBondContact O-N 3.47Å; L177-L180 VanDerWaalsContact O-N 3.16Å; P178-L180 PolarHBondContact O-N 2.95Å; L180-R188 WeakPolarHBondContact O-CD 3.35Å; L180-V191 HydrophobicContact CD2-CG1 3.56Å; L180-V191 HydrophobicContact CG-CG1 3.97Å; L180-V192 HydrophobicContact CD2-CG2 4.26Å; L180-L195 HydrophobicContact CD1-CD1 4.44Å; L180-L195 HydrophobicContact CD2-CD1 4.48Å; L180-L210 HydrophobicContact CD1-CD2 4.37Å; L180-L234 HydrophobicContact CB-CD1 3.84Å; L180-L234 HydrophobicContact CD1-CD1 4.41Å; L180-Q237 HydrophobicContact CD2-CB 3.83Å; L180-Q237 HydrophobicContact CD2-CG 4.45Å |
| 181 | R | 84.2 | Confident | 83.6 | Confident | 70 Ų | 70 | 41.2 Ų | 41.2 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -95.4 | -1.1 | 177.9 | -52.2 | -179.6 | -158.7 | -177.6 | 6.2 | 113.6 | P178 L179 E216 L234 | P178-R181 PolarHBondContact O-N 3.38Å; L179-R181 PolarHBondContact O-N 3.48Å; L179-R181 VanDerWaalsContact O-N 3.11Å; R181-E216 IonicContact CZ-OE1 3.89Å; R181-E216 IonicContact CZ-OE2 2.96Å; R181-E216 IonicContact NE-OE1 2.88Å; R181-E216 IonicContact NE-OE2 2.69Å; R181-E216 IonicContact NH1-OE1 3.91Å; R181-E216 PolarHBondContact NH1-OE1 3.27Å; R181-E216 IonicContact NH1-OE2 3.18Å; R181-E216 PolarHBondContact NH1-OE2 2.87Å; R181-E216 VanDerWaalsContact NH2-CD 3.35Å; R181-E216 IonicContact NH2-OE1 3.13Å; R181-E216 IonicContact NH2-OE2 2.75Å; R181-E216 PolarHBondContact NH2-OE2 3.03Å; R181-L234 HydrophobicContact CG-CD1 4.12Å |
| 182 | C | 82.9 | Confident | 83.6 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | trans | -62.3 | 142.5 | -176.6 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | L179 M184 R188 | L179-C182 WeakPolarHBondContact O-CB 3.49Å; L179-C182 PolarHBondContact O-N 3Å; C182-M184 VanDerWaalsContact C-N 3.29Å; C182-M184 PolarHBondContact O-N 2.88Å; C182-R188 HydrophobicContact CB-CG 4.38Å; C182-R188 WeakPolarHBondContact O-CD 3.29Å; C182-R188 WeakPolarHBondContact O-CG 3.01Å; C182-R188 PolarHBondContact O-NH1 2.9Å | ||
| 183 | E | 74 | Confident | 83.2 | Confident | 137 Ų | 137 | 36.8 Ų | 36.8 | 64% | 0.64 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -73.8 | -22 | 179.6 | -66.3 | -175.5 | -175.2 | 0 | 0 | 112.6 | T185 R188 R230 | E183-T185 PolarHBondContact O-N 3.26Å; E183-R188 PolarHBondContact O-NH1 2.68Å; E183-R230 IonicContact OE1-NH2 3.38Å |
| 184 | M | 78.2 | Confident | 82.9 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 39% | 0.394 | 18% | 0.181 | S | C | . | . | trans | -72.4 | 116.6 | 177.7 | -61 | -90.6 | -78.7 | 0 | 0 | 110.9 | Y110 C182 M187 R188 | Y110-M184 HydrophobicContact CE1-CE 3.46Å; Y110-M184 VanDerWaalsContact CE1-CE 3.46Å; Y110-M184 HydrophobicContact CE2-CE 4.36Å; Y110-M184 WeakPolarHBondContact OH-CE 3.37Å; C182-M184 VanDerWaalsContact C-N 3.29Å; C182-M184 PolarHBondContact O-N 2.88Å; M184-M187 HydrophobicContact CB-CB 3.96Å; M184-R188 WeakPolarHBondContact O-CG 3.37Å; M184-R188 PolarHBondContact O-N 3.29Å; M184-R188 PolarHBondContact O-NH1 3.2Å | ||
| 185 | T | 77.5 | Confident | 82.9 | Confident | 72 Ų | 72 | 30.4 Ų | 30.4 | 44% | 0.442 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -55.5 | -53.8 | 177.6 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | E183 M187 R188 D189 | E183-T185 PolarHBondContact O-N 3.26Å; T185-M187 PolarHBondContact O-N 3.18Å; T185-R188 WeakPolarHBondContact O-CA 3.47Å; T185-R188 WeakPolarHBondContact O-CB 3.26Å; T185-R188 PolarHBondContact O-N 3.1Å; T185-D189 PolarHBondContact O-N 3.25Å |
| 186 | D | 74 | Confident | 82.5 | Confident | 84 Ų | 84 | 28.4 Ų | 28.4 | 45% | 0.449 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.5 | -33.8 | -171.8 | -48.8 | -7.7 | 0 | 0 | 0 | 111.9 | L114 S190 | L114-D186 HydrophobicContact CD2-CB 3.53Å; D186-S190 VanDerWaalsContact O-CB 3.3Å; D186-S190 WeakPolarHBondContact O-CB 3.36Å; D186-S190 PolarHBondContact O-N 3.43Å; D186-S190 PolarHBondContact O-OG 3.31Å |
| 187 | M | 80.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.2 | -45.2 | 174.5 | -167.6 | 71.7 | 149.5 | 0 | 0 | 111 | F75 I78 L114 W117 L179 M184 T185 S190 V191 | F75-M187 HydrophobicContact CD2-CE 4.34Å; F75-M187 HydrophobicContact CE2-CE 3.81Å; I78-M187 HydrophobicContact CD1-CE 3.69Å; I78-M187 HydrophobicContact CD1-SD 4.04Å; I78-M187 HydrophobicContact CG1-CE 4.12Å; L114-M187 HydrophobicContact CD1-SD 3.44Å; L114-M187 WeakPolarHBondContact CD1-SD 3.42Å; W117-M187 HydrophobicContact CE3-SD 4.07Å; W117-M187 HydrophobicContact CH2-CE 4.03Å; W117-M187 HydrophobicContact CH2-SD 3.99Å; W117-M187 HydrophobicContact CZ2-CE 4.4Å; W117-M187 HydrophobicContact CZ3-CE 4.16Å; W117-M187 HydrophobicContact CZ3-SD 3.57Å; W117-M187 VanDerWaalsContact CZ3-SD 3.57Å; L179-M187 HydrophobicContact CD1-CE 3.9Å; L179-M187 HydrophobicContact CD2-CE 4.2Å; M184-M187 HydrophobicContact CB-CB 3.96Å; T185-M187 PolarHBondContact O-N 3.18Å; M187-S190 WeakPolarHBondContact O-CB 3.23Å; M187-S190 PolarHBondContact O-N 2.86Å; M187-V191 WeakPolarHBondContact O-CG2 3.47Å; M187-V191 PolarHBondContact O-N 3.19Å |
| 188 | R | 84.4 | Confident | 81.9 | Confident | 17 Ų | 17 | 28.6 Ų | 28.6 | 6% | 0.064 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.8 | -69.5 | -167.5 | -53.9 | -84.8 | -1.5 | 111.6 | L180 C182 E183 M184 T185 S190 V191 V192 Q237 | L180-R188 WeakPolarHBondContact O-CD 3.35Å; C182-R188 HydrophobicContact CB-CG 4.38Å; C182-R188 WeakPolarHBondContact O-CD 3.29Å; C182-R188 WeakPolarHBondContact O-CG 3.01Å; C182-R188 PolarHBondContact O-NH1 2.9Å; E183-R188 PolarHBondContact O-NH1 2.68Å; M184-R188 WeakPolarHBondContact O-CG 3.37Å; M184-R188 PolarHBondContact O-N 3.29Å; M184-R188 PolarHBondContact O-NH1 3.2Å; T185-R188 WeakPolarHBondContact O-CA 3.47Å; T185-R188 WeakPolarHBondContact O-CB 3.26Å; T185-R188 PolarHBondContact O-N 3.1Å; R188-S190 VanDerWaalsContact C-N 3.31Å; R188-S190 PolarHBondContact O-N 2.99Å; R188-V191 WeakPolarHBondContact O-CB 3.46Å; R188-V191 PolarHBondContact O-N 3.4Å; R188-V191 VanDerWaalsContact O-N 3.11Å; R188-V192 WeakPolarHBondContact O-CG2 3.09Å; R188-V192 PolarHBondContact O-N 3.29Å; R188-Q237 HydrophobicContact CB-CG 4.5Å |
| 189 | D | 79 | Confident | 81.6 | Confident | 37 Ų | 37 | 26.3 Ų | 26.3 | 20% | 0.198 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 178.8 | -63.4 | -32.5 | 0 | 0 | 0 | 110.9 | T185 V191 V192 L193 R240 | T185-D189 PolarHBondContact O-N 3.25Å; D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 2.81Å; D189-V192 PolarHBondContact O-N 2.86Å; D189-L193 WeakPolarHBondContact O-CB 3.27Å; D189-L193 PolarHBondContact O-N 2.89Å; D189-R240 IonicContact OD1-CZ 3.57Å; D189-R240 VanDerWaalsContact OD1-CZ 3.3Å; D189-R240 IonicContact OD1-NH1 3.17Å; D189-R240 PolarHBondContact OD1-NH1 3.03Å; D189-R240 IonicContact OD1-NH2 2.74Å; D189-R240 PolarHBondContact OD1-NH2 3.44Å |
| 190 | S | 81.7 | Confident | 81.1 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -40.7 | 172 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | Q118 L121 D186 M187 R188 G194 | Q118-S190 PolarHBondContact NE2-OG 3.41Å; L121-S190 WeakPolarHBondContact CD2-O 3.37Å; D186-S190 VanDerWaalsContact O-CB 3.3Å; D186-S190 WeakPolarHBondContact O-CB 3.36Å; D186-S190 PolarHBondContact O-N 3.43Å; D186-S190 PolarHBondContact O-OG 3.31Å; M187-S190 WeakPolarHBondContact O-CB 3.23Å; M187-S190 PolarHBondContact O-N 2.86Å; R188-S190 VanDerWaalsContact C-N 3.31Å; R188-S190 PolarHBondContact O-N 2.99Å; S190-G194 WeakPolarHBondContact O-CA 3.47Å; S190-G194 PolarHBondContact O-N 3.32Å |
| 191 | V | 86.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -45 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | W117 V176 L179 L180 M187 R188 D189 G194 L195 | W117-V191 HydrophobicContact CH2-CG2 3.83Å; W117-V191 HydrophobicContact CZ3-CG2 4.23Å; V176-V191 HydrophobicContact CG1-CB 4.29Å; V176-V191 HydrophobicContact CG1-CG1 3.59Å; V176-V191 HydrophobicContact CG1-CG2 4.08Å; L179-V191 HydrophobicContact CB-CG2 3.72Å; L179-V191 HydrophobicContact CD1-CG2 4.08Å; L180-V191 HydrophobicContact CD2-CG1 3.56Å; L180-V191 HydrophobicContact CG-CG1 3.97Å; M187-V191 WeakPolarHBondContact O-CG2 3.47Å; M187-V191 PolarHBondContact O-N 3.19Å; R188-V191 WeakPolarHBondContact O-CB 3.46Å; R188-V191 PolarHBondContact O-N 3.4Å; R188-V191 VanDerWaalsContact O-N 3.11Å; D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 2.81Å; V191-G194 PolarHBondContact O-N 2.86Å; V191-L195 HydrophobicContact CG1-CD1 3.77Å; V191-L195 HydrophobicContact CG1-CG 4.19Å; V191-L195 WeakPolarHBondContact O-CB 3.36Å; V191-L195 WeakPolarHBondContact O-CG 3.07Å; V191-L195 PolarHBondContact O-N 3.16Å |
| 192 | V | 84.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 178 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L180 R188 D189 G194 G196 Q237 R240 | L180-V192 HydrophobicContact CD2-CG2 4.26Å; R188-V192 WeakPolarHBondContact O-CG2 3.09Å; R188-V192 PolarHBondContact O-N 3.29Å; D189-V192 PolarHBondContact O-N 2.86Å; V192-G194 VanDerWaalsContact C-N 3.34Å; V192-G196 VanDerWaalsContact O-CA 3.27Å; V192-G196 WeakPolarHBondContact O-CA 3.17Å; V192-G196 PolarHBondContact O-N 3.06Å; V192-Q237 HydrophobicContact CG2-CB 4.05Å; V192-Q237 HydrophobicContact CG2-CG 4.39Å; V192-Q237 VanDerWaalsContact CG2-OE1 3.25Å; V192-R240 HydrophobicContact CG1-CB 3.89Å |
| 193 | L | 77.8 | Confident | 80.8 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.6 | 172.9 | 58.5 | 0 | 0 | 0 | 111.3 | W36 A40 Q118 V122 D189 S197 | W36-L193 HydrophobicContact CB-CD2 4.32Å; W36-L193 HydrophobicContact CD2-CD2 4.36Å; W36-L193 HydrophobicContact CE3-CB 3.89Å; W36-L193 HydrophobicContact CE3-CD1 3.62Å; W36-L193 HydrophobicContact CE3-CD2 3.88Å; W36-L193 HydrophobicContact CE3-CG 3.95Å; W36-L193 HydrophobicContact CH2-CB 4.31Å; W36-L193 HydrophobicContact CZ3-CB 3.77Å; W36-L193 HydrophobicContact CZ3-CD1 3.65Å; W36-L193 HydrophobicContact CZ3-CG 4.13Å; A40-L193 HydrophobicContact CB-CD2 3.89Å; Q118-L193 HydrophobicContact CG-CD2 4.27Å; V122-L193 HydrophobicContact CG2-CD1 4.39Å; V122-L193 HydrophobicContact CG2-CD2 3.97Å; V122-L193 HydrophobicContact CG2-CG 3.64Å; D189-L193 WeakPolarHBondContact O-CB 3.27Å; D189-L193 PolarHBondContact O-N 2.89Å; L193-S197 WeakPolarHBondContact O-CB 3.16Å; L193-S197 PolarHBondContact O-N 3.09Å; L193-S197 PolarHBondContact O-OG 3.17Å |
| 194 | G | 82 | Confident | 81.3 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.3 | -69.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S125 S190 V191 V192 G196 S197 | S125-G194 WeakPolarHBondContact CB-O 3.46Å; S125-G194 PolarHBondContact OG-O 2.87Å; S190-G194 WeakPolarHBondContact O-CA 3.47Å; S190-G194 PolarHBondContact O-N 3.32Å; V191-G194 PolarHBondContact O-N 2.86Å; V192-G194 VanDerWaalsContact C-N 3.34Å; G194-G196 PolarHBondContact O-N 2.73Å; G194-S197 PolarHBondContact O-N 3.16Å |
| 195 | L | 85.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.1 | -31.1 | -179.4 | -65.5 | 179.5 | 0 | 0 | 0 | 113 | F173 V176 L177 L180 V191 S197 I198 L206 L241 | F173-L195 HydrophobicContact CD1-CD2 4.08Å; V176-L195 HydrophobicContact CB-CD2 4.38Å; V176-L195 HydrophobicContact CG1-CD1 4.02Å; V176-L195 HydrophobicContact CG1-CD2 3.84Å; V176-L195 HydrophobicContact CG1-CG 3.82Å; L177-L195 HydrophobicContact CD2-CD1 3.75Å; L180-L195 HydrophobicContact CD1-CD1 4.44Å; L180-L195 HydrophobicContact CD2-CD1 4.48Å; V191-L195 HydrophobicContact CG1-CD1 3.77Å; V191-L195 HydrophobicContact CG1-CG 4.19Å; V191-L195 WeakPolarHBondContact O-CB 3.36Å; V191-L195 WeakPolarHBondContact O-CG 3.07Å; V191-L195 PolarHBondContact O-N 3.16Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 2.93Å; L195-I198 WeakPolarHBondContact O-CB 3.5Å; L195-I198 WeakPolarHBondContact O-CG2 3.18Å; L195-I198 PolarHBondContact O-N 3.1Å; L195-L206 HydrophobicContact CD2-CD1 4.04Å; L195-L241 HydrophobicContact CB-CD1 3.55Å; L195-L241 HydrophobicContact CD1-CD2 4.45Å |
| 196 | G | 79.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -72.6 | -22.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | V192 G194 I198 M244 | V192-G196 VanDerWaalsContact O-CA 3.27Å; V192-G196 WeakPolarHBondContact O-CA 3.17Å; V192-G196 PolarHBondContact O-N 3.06Å; G194-G196 PolarHBondContact O-N 2.73Å; G196-I198 PolarHBondContact O-N 3.34Å; G196-M244 VanDerWaalsContact C-CG 3.49Å; G196-M244 VanDerWaalsContact CA-CG 3.4Å; G196-M244 VanDerWaalsContact O-CG 3.22Å; G196-M244 WeakPolarHBondContact O-CG 3.22Å |
| 197 | S | 80 | Confident | 82.7 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 17 | 171.8 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | S44 A126 L193 G194 L195 R248 | S44-S197 VanDerWaalsContact OG-CB 3.32Å; S44-S197 WeakPolarHBondContact OG-CB 3.17Å; S44-S197 PolarHBondContact OG-OG 3.31Å; A126-S197 WeakPolarHBondContact CA-O 3.42Å; A126-S197 WeakPolarHBondContact CB-O 3.1Å; A126-S197 PolarHBondContact N-O 3.36Å; L193-S197 WeakPolarHBondContact O-CB 3.16Å; L193-S197 PolarHBondContact O-N 3.09Å; L193-S197 PolarHBondContact O-OG 3.17Å; G194-S197 PolarHBondContact O-N 3.16Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 2.93Å; S197-R248 PolarHBondContact OG-NH2 2.64Å; S197-R248 VanDerWaalsContact OG-NH2 3.16Å |
| 198 | I | 85.1 | Confident | 82.9 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | trans | -60.5 | 144.9 | -177.5 | -171.8 | 164.9 | 0 | 0 | 0 | 112.6 | S125 F173 L195 G196 P200 T202 F203 L206 | S125-I198 WeakPolarHBondContact O-CA 3.19Å; F173-I198 HydrophobicContact CE1-CD1 3.77Å; F173-I198 HydrophobicContact CZ-CD1 3.54Å; L195-I198 WeakPolarHBondContact O-CB 3.5Å; L195-I198 WeakPolarHBondContact O-CG2 3.18Å; L195-I198 PolarHBondContact O-N 3.1Å; G196-I198 PolarHBondContact O-N 3.34Å; I198-P200 WeakPolarHBondContact O-CD 3.43Å; I198-T202 WeakPolarHBondContact CG1-OG1 3.49Å; I198-F203 HydrophobicContact CG2-CD2 3.9Å; I198-L206 HydrophobicContact CD1-CB 3.48Å; I198-L206 VanDerWaalsContact CD1-CB 3.48Å; I198-L206 HydrophobicContact CD1-CD2 3.54Å; I198-L206 HydrophobicContact CD1-CG 4.04Å; I198-L206 HydrophobicContact CG2-CD2 4.27Å | ||
| 199 | N | 81.9 | Confident | 83.1 | Confident | 14 Ų | 14 | 20.5 Ų | 20.5 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | trans | -58.1 | 122.7 | 167.3 | -178.2 | -7.6 | 0 | 0 | 0 | 110.1 | S125 A126 A128 L201 T202 F203 | S125-N199 PolarHBondContact O-N 3.05Å; S125-N199 VanDerWaalsContact O-N 3.1Å; A126-N199 WeakPolarHBondContact O-CB 3.25Å; A128-N199 PolarHBondContact O-ND2 3.03Å; A128-N199 VanDerWaalsContact O-ND2 3.09Å; N199-L201 PolarHBondContact O-N 3.08Å; N199-L201 PolarHBondContact OD1-N 3.43Å; N199-L201 VanDerWaalsContact OD1-N 3.16Å; N199-T202 HydrophobicContact CB-CG2 4.37Å; N199-T202 WeakPolarHBondContact CB-OG1 3.15Å; N199-T202 PolarHBondContact O-N 3.49Å; N199-T202 PolarHBondContact O-OG1 3.28Å; N199-F203 PolarHBondContact O-N 3.16Å | ||
| 200 | P | 77.2 | Confident | 83.6 | Confident | 15 Ų | 15 | 18.8 Ų | 18.8 | 10% | 0.097 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -50.3 | -34.9 | 178.8 | -30.9 | 36.5 | 0 | 0 | 0 | 113.9 | I198 T202 F203 | I198-P200 WeakPolarHBondContact O-CD 3.43Å; P200-T202 PolarHBondContact O-N 3.33Å; P200-F203 VanDerWaalsContact O-CB 3.27Å; P200-F203 WeakPolarHBondContact O-CB 3.44Å; P200-F203 PolarHBondContact O-N 3.27Å |
| 201 | L | 77.4 | Confident | 83.9 | Confident | 100 Ų | 100 | 21.4 Ų | 21.4 | 52% | 0.524 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | -71.9 | -16 | -179.8 | -58.1 | 176.3 | 0 | 0 | 0 | 113.7 | P130 N199 | P130-L201 HydrophobicContact CB-CB 4.18Å; P130-L201 HydrophobicContact CG-CB 4.48Å; N199-L201 PolarHBondContact O-N 3.08Å; N199-L201 PolarHBondContact OD1-N 3.43Å; N199-L201 VanDerWaalsContact OD1-N 3.16Å |
| 202 | T | 83.1 | Confident | 84 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -102 | -2.3 | 176 | 54 | 0 | 0 | 0 | 0 | 113.7 | A128 P129 P130 I198 N199 P200 D204 S205 L206 | A128-T202 HydrophobicContact CB-CG2 4.01Å; A128-T202 WeakPolarHBondContact O-CG2 3.27Å; P129-T202 VanDerWaalsContact O-CG2 3.29Å; P129-T202 WeakPolarHBondContact O-CG2 3.05Å; P130-T202 HydrophobicContact CB-CG2 4.43Å; I198-T202 WeakPolarHBondContact CG1-OG1 3.49Å; N199-T202 HydrophobicContact CB-CG2 4.37Å; N199-T202 WeakPolarHBondContact CB-OG1 3.15Å; N199-T202 PolarHBondContact O-N 3.49Å; N199-T202 PolarHBondContact O-OG1 3.28Å; P200-T202 PolarHBondContact O-N 3.33Å; T202-D204 PolarHBondContact O-N 2.93Å; T202-S205 PolarHBondContact O-N 3.5Å; T202-S205 VanDerWaalsContact O-N 3.15Å; T202-L206 PolarHBondContact O-N 3.49Å |
| 203 | F | 86 | Confident | 84.3 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -34.1 | -173 | -174 | -107.3 | 0 | 0 | 0 | 112.3 | I198 N199 P200 S205 L206 L207 A245 C250 F251 | I198-F203 HydrophobicContact CG2-CD2 3.9Å; N199-F203 PolarHBondContact O-N 3.16Å; P200-F203 VanDerWaalsContact O-CB 3.27Å; P200-F203 WeakPolarHBondContact O-CB 3.44Å; P200-F203 PolarHBondContact O-N 3.27Å; F203-S205 VanDerWaalsContact C-N 3.32Å; F203-S205 PolarHBondContact O-N 3Å; F203-L206 HydrophobicContact CD2-CD2 4.32Å; F203-L206 HydrophobicContact CE2-CD2 4.4Å; F203-L206 WeakPolarHBondContact O-CB 3.24Å; F203-L206 PolarHBondContact O-N 2.79Å; F203-L206 VanDerWaalsContact O-N 3.13Å; F203-L207 WeakPolarHBondContact O-CB 3.35Å; F203-L207 PolarHBondContact O-N 2.8Å; F203-A245 HydrophobicContact CE2-CB 3.62Å; F203-A245 HydrophobicContact CZ-CB 3.84Å; F203-C250 HydrophobicContact CB-CB 4.31Å; F203-C250 HydrophobicContact CD1-CB 4.25Å; F203-C250 HydrophobicContact CD2-CB 3.97Å; F203-C250 HydrophobicContact CE2-CB 4.36Å; F203-C250 HydrophobicContact CG-CB 3.91Å; F203-F251 AromaticContact CE1-CD1 3.74Å; F203-F251 HydrophobicContact CE1-CD1 3.74Å; F203-F251 AromaticContact CE1-CE1 3.44Å; F203-F251 HydrophobicContact CE1-CE1 3.44Å; F203-F251 VanDerWaalsContact CE1-CE1 3.44Å; F203-F251 HydrophobicContact CE1-CZ 4.2Å; F203-F251 HydrophobicContact CZ-CD1 4.22Å; F203-F251 AromaticContact CZ-CE1 3.68Å; F203-F251 HydrophobicContact CZ-CE1 3.68Å; F203-F251 AromaticContact CZ-CZ 3.96Å; F203-F251 HydrophobicContact CZ-CZ 3.96Å |
| 204 | D | 84.5 | Confident | 84.7 | Confident | 68 Ų | 68 | 28 Ų | 28 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.4 | -63.8 | 16.8 | 0 | 0 | 0 | 111.8 | T202 L206 L207 E208 Y254 | T202-D204 PolarHBondContact O-N 2.93Å; D204-L206 VanDerWaalsContact C-N 3.33Å; D204-L206 PolarHBondContact O-N 3.42Å; D204-L207 WeakPolarHBondContact O-CB 3.4Å; D204-L207 PolarHBondContact O-N 3.28Å; D204-E208 WeakPolarHBondContact O-CG 3.34Å; D204-E208 PolarHBondContact O-N 3.35Å; D204-Y254 HydrophobicContact CB-CE2 4.41Å; D204-Y254 VanDerWaalsContact CG-CE2 3.43Å; D204-Y254 WeakPolarHBondContact OD1-CD2 3.41Å; D204-Y254 VanDerWaalsContact OD1-CE2 3.27Å; D204-Y254 WeakPolarHBondContact OD1-CE2 3.24Å; D204-Y254 WeakPolarHBondContact OD2-CD2 3.36Å; D204-Y254 WeakPolarHBondContact OD2-CE2 3.33Å |
| 205 | S | 84.5 | Confident | 85 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68 | -33.9 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | Q131 T202 F203 E209 | Q131-S205 VanDerWaalsContact CG-OG 3.31Å; Q131-S205 WeakPolarHBondContact CG-OG 3.42Å; Q131-S205 PolarHBondContact NE2-OG 3.01Å; T202-S205 PolarHBondContact O-N 3.5Å; T202-S205 VanDerWaalsContact O-N 3.15Å; F203-S205 VanDerWaalsContact C-N 3.32Å; F203-S205 PolarHBondContact O-N 3Å; S205-E209 PolarHBondContact O-N 3.29Å |
| 206 | L | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 172 | 176.1 | 66.6 | 0 | 0 | 0 | 110.6 | F173 L177 L195 I198 T202 F203 D204 E208 E209 L210 | F173-L206 HydrophobicContact CB-CD1 4.41Å; F173-L206 HydrophobicContact CD1-CD1 3.75Å; F173-L206 HydrophobicContact CD2-CB 4.36Å; F173-L206 HydrophobicContact CD2-CD1 4.4Å; F173-L206 HydrophobicContact CE1-CB 4.34Å; F173-L206 HydrophobicContact CE1-CD1 4.09Å; F173-L206 HydrophobicContact CE2-CB 4.04Å; F173-L206 HydrophobicContact CG-CD1 3.94Å; F173-L206 HydrophobicContact CZ-CB 4.04Å; L177-L206 HydrophobicContact CD2-CD1 4.15Å; L195-L206 HydrophobicContact CD2-CD1 4.04Å; I198-L206 HydrophobicContact CD1-CB 3.48Å; I198-L206 VanDerWaalsContact CD1-CB 3.48Å; I198-L206 HydrophobicContact CD1-CD2 3.54Å; I198-L206 HydrophobicContact CD1-CG 4.04Å; I198-L206 HydrophobicContact CG2-CD2 4.27Å; T202-L206 PolarHBondContact O-N 3.49Å; F203-L206 HydrophobicContact CD2-CD2 4.32Å; F203-L206 HydrophobicContact CE2-CD2 4.4Å; F203-L206 WeakPolarHBondContact O-CB 3.24Å; F203-L206 PolarHBondContact O-N 2.79Å; F203-L206 VanDerWaalsContact O-N 3.13Å; D204-L206 VanDerWaalsContact C-N 3.33Å; D204-L206 PolarHBondContact O-N 3.42Å; L206-E208 PolarHBondContact O-N 3Å; L206-E209 PolarHBondContact O-N 2.81Å; L206-L210 HydrophobicContact CD1-CD1 4.16Å; L206-L210 HydrophobicContact CD1-CG 4.13Å; L206-L210 HydrophobicContact CD2-CD1 4.09Å; L206-L210 HydrophobicContact CG-CD1 3.67Å; L206-L210 HydrophobicContact CG-CG 4.12Å; L206-L210 VanDerWaalsContact O-CB 3.3Å; L206-L210 WeakPolarHBondContact O-CB 3.48Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.49Å; L206-L210 PolarHBondContact O-N 3.22Å |
| 207 | L | 86.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | -178.6 | -169.2 | 67.9 | 0 | 0 | 0 | 112.2 | F203 D204 L210 T211 I214 F242 Y254 F267 | F203-L207 WeakPolarHBondContact O-CB 3.35Å; F203-L207 PolarHBondContact O-N 2.8Å; D204-L207 WeakPolarHBondContact O-CB 3.4Å; D204-L207 PolarHBondContact O-N 3.28Å; L207-L210 PolarHBondContact O-N 2.54Å; L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 2.84Å; L207-I214 HydrophobicContact CD1-CD1 4.31Å; L207-F242 HydrophobicContact CD1-CE1 4.34Å; L207-Y254 HydrophobicContact CD2-CE1 3.67Å; L207-F267 HydrophobicContact CD1-CD2 4.42Å; L207-F267 HydrophobicContact CD1-CE2 3.71Å; L207-F267 HydrophobicContact CD1-CZ 4.01Å; L207-F267 HydrophobicContact CD2-CE1 3.94Å; L207-F267 HydrophobicContact CD2-CE2 4.12Å; L207-F267 HydrophobicContact CD2-CZ 3.58Å; L207-F267 HydrophobicContact CG-CE2 4.4Å; L207-F267 HydrophobicContact CG-CZ 4.34Å |
| 208 | E | 85.8 | Confident | 85.6 | Confident | 122 Ų | 122 | 39.7 Ų | 39.7 | 57% | 0.57 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -56.8 | -50.1 | 172.5 | -74.8 | 178 | 176.7 | 0 | 0 | 111.6 | D204 L206 T211 | D204-E208 WeakPolarHBondContact O-CG 3.34Å; D204-E208 PolarHBondContact O-N 3.35Å; L206-E208 PolarHBondContact O-N 3Å; E208-T211 WeakPolarHBondContact O-CB 3.44Å; E208-T211 PolarHBondContact O-N 2.87Å; E208-T211 PolarHBondContact O-OG1 3.26Å |
| 209 | E | 88 | Confident | 85.5 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.5 | -31.3 | 179.3 | -64 | -80.2 | 176.5 | 0 | 0 | 111.8 | F173 R174 L177 S205 L206 T211 Y213 | F173-E209 HydrophobicContact CB-CB 4.48Å; F173-E209 HydrophobicContact CB-CG 4.48Å; R174-E209 IonicContact CZ-OE1 3.73Å; R174-E209 IonicContact NE-OE1 3.83Å; R174-E209 PolarHBondContact NE-OE1 3.06Å; R174-E209 VanDerWaalsContact NE-OE1 3.1Å; R174-E209 IonicContact NE-OE2 3.81Å; R174-E209 IonicContact NH2-OE1 2.73Å; R174-E209 PolarHBondContact NH2-OE1 2.93Å; L177-E209 HydrophobicContact CD1-CB 3.62Å; S205-E209 PolarHBondContact O-N 3.29Å; L206-E209 PolarHBondContact O-N 2.81Å; E209-T211 VanDerWaalsContact C-N 3.32Å; E209-T211 PolarHBondContact O-N 2.93Å; E209-Y213 WeakPolarHBondContact O-CD2 3.44Å |
| 210 | L | 89.7 | Confident | 85 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.9 | -25 | 175 | -82.4 | 171.5 | 0 | 0 | 0 | 113.4 | L177 L180 L206 L207 V212 Y213 I214 L238 L241 | L177-L210 HydrophobicContact CD2-CD2 3.39Å; L177-L210 HydrophobicContact CD2-CG 3.99Å; L180-L210 HydrophobicContact CD1-CD2 4.37Å; L206-L210 HydrophobicContact CD1-CD1 4.16Å; L206-L210 HydrophobicContact CD1-CG 4.13Å; L206-L210 HydrophobicContact CD2-CD1 4.09Å; L206-L210 HydrophobicContact CG-CD1 3.67Å; L206-L210 HydrophobicContact CG-CG 4.12Å; L206-L210 VanDerWaalsContact O-CB 3.3Å; L206-L210 WeakPolarHBondContact O-CB 3.48Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.49Å; L206-L210 PolarHBondContact O-N 3.22Å; L207-L210 PolarHBondContact O-N 2.54Å; L210-V212 PolarHBondContact O-N 2.89Å; L210-V212 VanDerWaalsContact O-N 3.09Å; L210-Y213 WeakPolarHBondContact O-CA 3.34Å; L210-Y213 WeakPolarHBondContact O-CB 3.3Å; L210-Y213 PolarHBondContact O-N 3.49Å; L210-I214 HydrophobicContact CB-CD1 4.04Å; L210-I214 HydrophobicContact CB-CG1 4.45Å; L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 3.13Å; L210-L238 HydrophobicContact CD2-CD2 3.74Å; L210-L241 HydrophobicContact CD1-CD2 3.77Å; L210-L241 HydrophobicContact CD2-CD2 3.96Å |
| 211 | T | 88.3 | Confident | 84.9 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.362 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.5 | -35.6 | -174.4 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | L207 E208 E209 R215 | L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 2.84Å; E208-T211 WeakPolarHBondContact O-CB 3.44Å; E208-T211 PolarHBondContact O-N 2.87Å; E208-T211 PolarHBondContact O-OG1 3.26Å; E209-T211 VanDerWaalsContact C-N 3.32Å; E209-T211 PolarHBondContact O-N 2.93Å; T211-R215 WeakPolarHBondContact O-CB 3.37Å; T211-R215 PolarHBondContact O-N 3.39Å; T211-R215 VanDerWaalsContact O-N 3.07Å |
| 212 | V | 89.1 | Confident | 84.3 | Confident | 99 Ų | 99 | 62 Ų | 62 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 176 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | L210 E216 | L210-V212 PolarHBondContact O-N 2.89Å; L210-V212 VanDerWaalsContact O-N 3.09Å; V212-E216 PolarHBondContact O-N 3.41Å; V212-E216 VanDerWaalsContact O-N 3.14Å |
| 213 | Y | 89.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.5 | -37.1 | -179.7 | -64.1 | -94.4 | 0 | 0 | 0 | 112.3 | L177 E209 L210 R215 E216 A217 L234 | L177-Y213 HydrophobicContact CB-CD2 4.37Å; L177-Y213 HydrophobicContact CB-CE1 4.35Å; L177-Y213 HydrophobicContact CB-CE2 3.7Å; L177-Y213 HydrophobicContact CD1-CD2 4.35Å; L177-Y213 HydrophobicContact CD1-CE2 3.97Å; L177-Y213 HydrophobicContact CG-CE2 4.38Å; E209-Y213 WeakPolarHBondContact O-CD2 3.44Å; L210-Y213 WeakPolarHBondContact O-CA 3.34Å; L210-Y213 WeakPolarHBondContact O-CB 3.3Å; L210-Y213 PolarHBondContact O-N 3.49Å; Y213-R215 VanDerWaalsContact C-N 3.34Å; Y213-E216 PolarHBondContact O-N 3.34Å; Y213-A217 WeakPolarHBondContact O-CB 3.48Å; Y213-A217 PolarHBondContact O-N 2.92Å; Y213-L234 HydrophobicContact CD1-CD1 4.18Å |
| 214 | I | 87.7 | Confident | 83 | Confident | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 173.6 | -65.6 | 164.9 | 0 | 0 | 0 | 109.7 | L207 L210 E216 A217 C218 L238 F242 F271 | L207-I214 HydrophobicContact CD1-CD1 4.31Å; L210-I214 HydrophobicContact CB-CD1 4.04Å; L210-I214 HydrophobicContact CB-CG1 4.45Å; L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 3.13Å; I214-E216 PolarHBondContact O-N 2.93Å; I214-A217 PolarHBondContact O-N 3.38Å; I214-C218 PolarHBondContact O-N 2.84Å; I214-C218 PolarHBondContact O-SG 3.17Å; I214-L238 HydrophobicContact CG1-CD1 4.36Å; I214-L238 HydrophobicContact CG1-CD2 4.34Å; I214-F242 HydrophobicContact CD1-CZ 3.73Å; I214-F242 HydrophobicContact CG1-CZ 4.16Å; I214-F271 HydrophobicContact CG2-CB 4.23Å; I214-F271 HydrophobicContact CG2-CD2 3.84Å; I214-F271 HydrophobicContact CG2-CG 4.34Å |
| 215 | R | 87.4 | Confident | 82.5 | Confident | 174 Ų | 174 | 72.4 Ų | 72.4 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.4 | -45.8 | 176.7 | -170.7 | -179.3 | -60.2 | -176.4 | 1.7 | 111.7 | T211 Y213 A217 C218 E219 | T211-R215 WeakPolarHBondContact O-CB 3.37Å; T211-R215 PolarHBondContact O-N 3.39Å; T211-R215 VanDerWaalsContact O-N 3.07Å; Y213-R215 VanDerWaalsContact C-N 3.34Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 2.96Å; R215-C218 PolarHBondContact O-N 3.48Å; R215-E219 PolarHBondContact O-N 2.85Å |
| 216 | E | 87.2 | Confident | 82.1 | Confident | 46 Ų | 46 | 81.6 Ų | 81.6 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 176.4 | -179.6 | 174 | 148.8 | 0 | 0 | 112.5 | R181 V212 Y213 I214 C218 E219 R231 L234 | R181-E216 IonicContact CZ-OE1 3.89Å; R181-E216 IonicContact CZ-OE2 2.96Å; R181-E216 IonicContact NE-OE1 2.88Å; R181-E216 IonicContact NE-OE2 2.69Å; R181-E216 IonicContact NH1-OE1 3.91Å; R181-E216 PolarHBondContact NH1-OE1 3.27Å; R181-E216 IonicContact NH1-OE2 3.18Å; R181-E216 PolarHBondContact NH1-OE2 2.87Å; R181-E216 VanDerWaalsContact NH2-CD 3.35Å; R181-E216 IonicContact NH2-OE1 3.13Å; R181-E216 IonicContact NH2-OE2 2.75Å; R181-E216 PolarHBondContact NH2-OE2 3.03Å; V212-E216 PolarHBondContact O-N 3.41Å; V212-E216 VanDerWaalsContact O-N 3.14Å; Y213-E216 PolarHBondContact O-N 3.34Å; I214-E216 PolarHBondContact O-N 2.93Å; E216-C218 VanDerWaalsContact C-N 3.26Å; E216-C218 PolarHBondContact O-N 2.85Å; E216-E219 PolarHBondContact O-N 3.5Å; E216-R231 HydrophobicContact CG-CG 4.4Å; E216-L234 HydrophobicContact CB-CD2 4.33Å; E216-L234 HydrophobicContact CG-CD2 4.21Å |
| 217 | A | 86.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 89.4 Ų | 89.4 | 3% | 0.025 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.7 | -29.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y213 I214 R215 L234 R235 L238 F271 | Y213-A217 WeakPolarHBondContact O-CB 3.48Å; Y213-A217 PolarHBondContact O-N 2.92Å; I214-A217 PolarHBondContact O-N 3.38Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 2.96Å; A217-L234 HydrophobicContact CB-CD2 4.38Å; A217-L234 HydrophobicContact CB-CG 4.46Å; A217-R235 HydrophobicContact CB-CG 3.83Å; A217-R235 VanDerWaalsContact O-CZ 3.23Å; A217-R235 PolarHBondContact O-NE 3.32Å; A217-R235 PolarHBondContact O-NH2 2.89Å; A217-L238 HydrophobicContact CB-CD1 3.56Å; A217-F271 HydrophobicContact CB-CE2 4.5Å |
| 218 | C | 84.9 | Confident | 81.3 | Confident | 24 Ų | 24 | 93 Ų | 93 | 16% | 0.162 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -84.5 | -7.3 | 179.8 | -64.1 | 0 | 0 | 0 | 0 | 114.7 | I214 R215 E216 R220 N274 | I214-C218 PolarHBondContact O-N 2.84Å; I214-C218 PolarHBondContact O-SG 3.17Å; R215-C218 PolarHBondContact O-N 3.48Å; E216-C218 VanDerWaalsContact C-N 3.26Å; E216-C218 PolarHBondContact O-N 2.85Å; C218-R220 PolarHBondContact O-N 3.43Å; C218-N274 HydrophobicContact CB-CB 4.06Å |
| 219 | E | 81.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 95.4 Ų | 95.4 | 41% | 0.407 | 43% | 0.429 | S | S | . | . | trans | -69.3 | 128.4 | -178.1 | -72.6 | -175.2 | 168.9 | 0 | 0 | 113.1 | R215 E216 R235 | R215-E219 PolarHBondContact O-N 2.85Å; E216-E219 PolarHBondContact O-N 3.5Å; E219-R235 PolarHBondContact O-NH2 3.09Å | ||
| 220 | R | 72.1 | Confident | 80.6 | Confident | 162 Ų | 162 | 99.3 Ų | 99.3 | 61% | 0.611 | 44% | 0.441 | S | S | * | . | trans | -101.5 | 18.4 | -173.9 | -57 | -173.8 | -170.9 | -172.8 | -1.2 | 115.7 | C218 N274 C277 | C218-R220 PolarHBondContact O-N 3.43Å; R220-N274 VanDerWaalsContact CZ-OD1 3.24Å; R220-N274 PolarHBondContact NE-OD1 3.39Å; R220-N274 PolarHBondContact NH2-OD1 3.17Å; R220-C277 PolarHBondContact NH2-SG 3.39Å | ||
| 221 | K | 74.6 | Confident | 80.3 | Confident | 155 Ų | 155 | 99.9 Ų | 99.9 | 67% | 0.674 | 44% | 0.444 | S | S | * | . | trans | -79.8 | 140.4 | -175.8 | -68.2 | -179.8 | -179.1 | 172.8 | 0 | 112.8 | E223 | K221-E223 PolarHBondContact O-N 2.67Š| ||
| 222 | Q | 64.9 | Low | 80 | Confident | 197 Ų | 197 | 98.1 Ų | 98.1 | 92% | 0.921 | 43% | 0.432 | S | S | * | . | trans | -61.8 | 117.4 | 173.2 | -165.8 | 72.8 | 5.3 | 0 | 0 | 109.9 | ||||
| 223 | E | 66.1 | Low | 79.8 | Confident | 59 Ų | 59 | 93.8 Ų | 93.8 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | trans | -140.1 | 166.5 | -170.2 | -78.4 | -173.5 | -150.2 | 0 | 0 | 113.9 | K221 R227 R231 | K221-E223 PolarHBondContact O-N 2.67Å; E223-R227 HydrophobicContact CB-CB 4.49Å; E223-R227 WeakPolarHBondContact OE2-CB 3.41Å; E223-R227 WeakPolarHBondContact OE2-CD 3.48Å; E223-R231 VanDerWaalsContact CB-NH2 3.34Å; E223-R231 IonicContact OE1-CZ 2.99Å; E223-R231 IonicContact OE1-NH1 3.92Å; E223-R231 PolarHBondContact OE1-NH1 3.48Å; E223-R231 IonicContact OE1-NH2 3.29Å; E223-R231 PolarHBondContact OE1-NH2 2.62Å; E223-R231 IonicContact OE2-CZ 3.65Å; E223-R231 IonicContact OE2-NE 3.32Å; E223-R231 IonicContact OE2-NH1 3.07Å; E223-R231 PolarHBondContact OE2-NH1 3.42Å; E223-R231 IonicContact OE2-NH2 3.78Å; E223-R231 PolarHBondContact OE2-NH2 2.95Å; E223-R231 VanDerWaalsContact OE2-NH2 3.07Å | ||
| 224 | N | 75.1 | Confident | 79.8 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 59% | 0.594 | 40% | 0.399 | S | S | * | . | trans | -54.7 | 137.7 | 175 | -172.3 | -28.9 | 0 | 0 | 0 | 111.7 | R226 R227 K228 | N224-R226 PolarHBondContact O-N 3.12Å; N224-R226 VanDerWaalsContact O-N 3.09Å; N224-R226 PolarHBondContact OD1-N 2.86Å; N224-R227 WeakPolarHBondContact O-CA 3.39Å; N224-R227 PolarHBondContact O-N 2.72Å; N224-K228 PolarHBondContact O-N 2.93Å | ||
| 225 | V | 75.1 | Confident | 79.8 | Confident | 118 Ų | 118 | 92.6 Ų | 92.6 | 72% | 0.715 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -45.9 | -42 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 113 | R227 K228 R229 | V225-R227 PolarHBondContact O-N 2.71Å; V225-K228 PolarHBondContact O-N 3.5Å; V225-R229 PolarHBondContact O-N 3.34Å |
| 226 | R | 75 | Confident | 79.8 | Confident | 200 Ų | 200 | 84.8 Ų | 84.8 | 76% | 0.755 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 177.9 | -79.6 | -174.2 | 179.8 | 163.9 | 0.2 | 113.2 | N224 R230 | N224-R226 PolarHBondContact O-N 3.12Å; N224-R226 VanDerWaalsContact O-N 3.09Å; N224-R226 PolarHBondContact OD1-N 2.86Å; R226-R230 WeakPolarHBondContact O-CG 3.43Å; R226-R230 PolarHBondContact O-N 2.99Å |
| 227 | R | 78.8 | Confident | 79.9 | Confident | 164 Ų | 164 | 82.7 Ų | 82.7 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74.9 | -38.5 | 177.1 | -71.7 | -172.4 | -177.6 | 172.8 | 0.3 | 111.5 | E223 N224 V225 R230 R231 | E223-R227 HydrophobicContact CB-CB 4.49Å; E223-R227 WeakPolarHBondContact OE2-CB 3.41Å; E223-R227 WeakPolarHBondContact OE2-CD 3.48Å; N224-R227 WeakPolarHBondContact O-CA 3.39Å; N224-R227 PolarHBondContact O-N 2.72Å; V225-R227 PolarHBondContact O-N 2.71Å; R227-R230 PolarHBondContact O-N 3.01Å; R227-R231 PolarHBondContact O-N 2.83Å; R227-R231 VanDerWaalsContact O-N 3.12Å |
| 228 | K | 78.9 | Confident | 80.1 | Confident | 83 Ų | 83 | 82.6 Ų | 82.6 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53 | -56.5 | 170.8 | -170.1 | -173.2 | 171.4 | -174.8 | 0 | 109.7 | N224 V225 R230 R231 D232 D282 | N224-K228 PolarHBondContact O-N 2.93Å; V225-K228 PolarHBondContact O-N 3.5Å; K228-R230 PolarHBondContact O-N 3.29Å; K228-R231 PolarHBondContact O-N 2.88Å; K228-D232 WeakPolarHBondContact CG-OD2 3.32Å; K228-D232 PolarHBondContact O-N 2.99Å; K228-D282 IonicContact NZ-OD1 3.45Å; K228-D282 PolarHBondContact NZ-OD1 3.22Å; K228-D282 VanDerWaalsContact NZ-OD1 3.14Å |
| 229 | R | 78.9 | Confident | 80.3 | Confident | 174 Ų | 174 | 81.4 Ų | 81.4 | 66% | 0.657 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.2 | -43.2 | 179.9 | -171.9 | 177.7 | -177.5 | -176.7 | 1 | 114.2 | V225 R231 D232 I233 | V225-R229 PolarHBondContact O-N 3.34Å; R229-R231 VanDerWaalsContact C-N 3.33Å; R229-R231 PolarHBondContact O-N 3.41Å; R229-D232 PolarHBondContact O-N 3.27Å; R229-I233 HydrophobicContact CG-CD1 4.21Å; R229-I233 VanDerWaalsContact O-CG1 3.26Å; R229-I233 WeakPolarHBondContact O-CG1 3.49Å; R229-I233 PolarHBondContact O-N 3.43Å |
| 230 | R | 81.7 | Confident | 80.6 | Confident | 125 Ų | 125 | 78 Ų | 78 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 177.9 | -75 | -179.9 | -177.5 | -177.6 | -1 | 112.5 | E183 R226 R227 K228 L234 | E183-R230 IonicContact OE1-NH2 3.38Å; R226-R230 WeakPolarHBondContact O-CG 3.43Å; R226-R230 PolarHBondContact O-N 2.99Å; R227-R230 PolarHBondContact O-N 3.01Å; K228-R230 PolarHBondContact O-N 3.29Å; R230-L234 WeakPolarHBondContact O-CB 3.13Å; R230-L234 PolarHBondContact O-N 3.34Å |
| 231 | R | 83.3 | Confident | 81.4 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.7 | -36.3 | 175.4 | -72 | -174.4 | -63.6 | -163.8 | 3.5 | 112.4 | E216 E223 R227 K228 R229 I233 L234 R235 | E216-R231 HydrophobicContact CG-CG 4.4Å; E223-R231 VanDerWaalsContact CB-NH2 3.34Å; E223-R231 IonicContact OE1-CZ 2.99Å; E223-R231 IonicContact OE1-NH1 3.92Å; E223-R231 PolarHBondContact OE1-NH1 3.48Å; E223-R231 IonicContact OE1-NH2 3.29Å; E223-R231 PolarHBondContact OE1-NH2 2.62Å; E223-R231 IonicContact OE2-CZ 3.65Å; E223-R231 IonicContact OE2-NE 3.32Å; E223-R231 IonicContact OE2-NH1 3.07Å; E223-R231 PolarHBondContact OE2-NH1 3.42Å; E223-R231 IonicContact OE2-NH2 3.78Å; E223-R231 PolarHBondContact OE2-NH2 2.95Å; E223-R231 VanDerWaalsContact OE2-NH2 3.07Å; R227-R231 PolarHBondContact O-N 2.83Å; R227-R231 VanDerWaalsContact O-N 3.12Å; K228-R231 PolarHBondContact O-N 2.88Å; R229-R231 VanDerWaalsContact C-N 3.33Å; R229-R231 PolarHBondContact O-N 3.41Å; R231-I233 VanDerWaalsContact C-N 3.33Å; R231-L234 CarbonylContact O-C 3.58Å; R231-L234 WeakPolarHBondContact O-CB 3.37Å; R231-L234 PolarHBondContact O-N 3.14Å; R231-L234 VanDerWaalsContact O-N 3.17Å; R231-R235 WeakPolarHBondContact O-CB 3.41Å; R231-R235 WeakPolarHBondContact O-CG 3.15Å; R231-R235 PolarHBondContact O-N 2.93Å |
| 232 | D | 82.3 | Confident | 82.1 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 176 | -54.2 | -23.5 | 0 | 0 | 0 | 110.7 | K228 R229 L234 R235 L236 Y278 | K228-D232 WeakPolarHBondContact CG-OD2 3.32Å; K228-D232 PolarHBondContact O-N 2.99Å; R229-D232 PolarHBondContact O-N 3.27Å; D232-L234 PolarHBondContact O-N 2.83Å; D232-R235 PolarHBondContact O-N 3.46Å; D232-R235 IonicContact OD1-CZ 3.43Å; D232-R235 IonicContact OD1-NH1 3.62Å; D232-R235 PolarHBondContact OD1-NH1 3.17Å; D232-L236 PolarHBondContact O-N 3.05Å; D232-Y278 VanDerWaalsContact CG-OH 3.32Å; D232-Y278 PolarHBondContact OD1-OH 3.08Å |
| 233 | I | 84.4 | Confident | 83.1 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.8 | -49.3 | 170.1 | -69.5 | 165.8 | 0 | 0 | 0 | 110.3 | R229 R231 R235 L236 Q237 M289 | R229-I233 HydrophobicContact CG-CD1 4.21Å; R229-I233 VanDerWaalsContact O-CG1 3.26Å; R229-I233 WeakPolarHBondContact O-CG1 3.49Å; R229-I233 PolarHBondContact O-N 3.43Å; R231-I233 VanDerWaalsContact C-N 3.33Å; I233-R235 PolarHBondContact O-N 3.01Å; I233-L236 PolarHBondContact O-N 3.08Å; I233-Q237 HydrophobicContact CG2-CG 4.33Å; I233-Q237 VanDerWaalsContact O-CG 3.27Å; I233-Q237 WeakPolarHBondContact O-CG 3.33Å; I233-Q237 PolarHBondContact O-N 3.17Å; I233-M289 HydrophobicContact CG1-CE 3.66Å; I233-M289 HydrophobicContact CG1-SD 4.45Å |
| 234 | L | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 179.6 | -177.8 | 63.7 | 0 | 0 | 0 | 111.8 | L180 R181 Y213 E216 A217 R230 R231 D232 Q237 L238 | L180-L234 HydrophobicContact CB-CD1 3.84Å; L180-L234 HydrophobicContact CD1-CD1 4.41Å; R181-L234 HydrophobicContact CG-CD1 4.12Å; Y213-L234 HydrophobicContact CD1-CD1 4.18Å; E216-L234 HydrophobicContact CB-CD2 4.33Å; E216-L234 HydrophobicContact CG-CD2 4.21Å; A217-L234 HydrophobicContact CB-CD2 4.38Å; A217-L234 HydrophobicContact CB-CG 4.46Å; R230-L234 WeakPolarHBondContact O-CB 3.13Å; R230-L234 PolarHBondContact O-N 3.34Å; R231-L234 CarbonylContact O-C 3.58Å; R231-L234 WeakPolarHBondContact O-CB 3.37Å; R231-L234 PolarHBondContact O-N 3.14Å; R231-L234 VanDerWaalsContact O-N 3.17Å; D232-L234 PolarHBondContact O-N 2.83Å; L234-Q237 PolarHBondContact O-N 3.16Å; L234-L238 HydrophobicContact CD1-CD1 4.39Å; L234-L238 HydrophobicContact CD1-CG 4.34Å; L234-L238 HydrophobicContact CG-CD1 4.07Å; L234-L238 HydrophobicContact CG-CG 4.45Å; L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.05Å |
| 235 | R | 88.6 | Confident | 84.2 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.9 | -51.7 | 175 | -76.3 | 171.8 | -172.3 | 126.4 | 3 | 111 | A217 E219 R231 D232 I233 Q237 L238 V239 | A217-R235 HydrophobicContact CB-CG 3.83Å; A217-R235 VanDerWaalsContact O-CZ 3.23Å; A217-R235 PolarHBondContact O-NE 3.32Å; A217-R235 PolarHBondContact O-NH2 2.89Å; E219-R235 PolarHBondContact O-NH2 3.09Å; R231-R235 WeakPolarHBondContact O-CB 3.41Å; R231-R235 WeakPolarHBondContact O-CG 3.15Å; R231-R235 PolarHBondContact O-N 2.93Å; D232-R235 PolarHBondContact O-N 3.46Å; D232-R235 IonicContact OD1-CZ 3.43Å; D232-R235 IonicContact OD1-NH1 3.62Å; D232-R235 PolarHBondContact OD1-NH1 3.17Å; I233-R235 PolarHBondContact O-N 3.01Å; R235-Q237 VanDerWaalsContact C-N 3.32Å; R235-Q237 PolarHBondContact O-N 3.15Å; R235-L238 PolarHBondContact O-N 3.35Å; R235-V239 WeakPolarHBondContact O-CG2 3.12Å; R235-V239 PolarHBondContact O-N 3.27Å |
| 236 | L | 86.7 | Confident | 84.6 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 177.3 | 176.9 | 64.3 | 0 | 0 | 0 | 111.4 | D232 I233 L238 V239 R240 M289 A292 L293 H296 | D232-L236 PolarHBondContact O-N 3.05Å; I233-L236 PolarHBondContact O-N 3.08Å; L236-L238 VanDerWaalsContact C-N 3.35Å; L236-L238 PolarHBondContact O-N 3.24Å; L236-V239 PolarHBondContact O-N 3.27Å; L236-R240 HydrophobicContact CD1-CG 4.29Å; L236-R240 WeakPolarHBondContact O-CG 3.25Å; L236-R240 PolarHBondContact O-N 2.69Å; L236-M289 HydrophobicContact CB-SD 3.95Å; L236-M289 HydrophobicContact CD2-CE 4.31Å; L236-M289 HydrophobicContact CD2-SD 3.29Å; L236-M289 WeakPolarHBondContact CD2-SD 3.4Å; L236-M289 HydrophobicContact CG-SD 4.22Å; L236-A292 HydrophobicContact CD1-CB 4.1Å; L236-A292 HydrophobicContact CD2-CB 3.97Å; L236-L293 HydrophobicContact CB-CD1 4.13Å; L236-L293 HydrophobicContact CD1-CB 4.21Å; L236-L293 HydrophobicContact CD1-CD1 4.06Å; L236-H296 HydrophobicContact CD1-CB 4.43Å |
| 237 | Q | 89.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | -178.9 | -57.6 | -34.1 | -57.8 | 0 | 0 | 112.6 | L180 R188 V192 I233 L234 R235 R240 L241 | L180-Q237 HydrophobicContact CD2-CB 3.83Å; L180-Q237 HydrophobicContact CD2-CG 4.45Å; R188-Q237 HydrophobicContact CB-CG 4.5Å; V192-Q237 HydrophobicContact CG2-CB 4.05Å; V192-Q237 HydrophobicContact CG2-CG 4.39Å; V192-Q237 VanDerWaalsContact CG2-OE1 3.25Å; I233-Q237 HydrophobicContact CG2-CG 4.33Å; I233-Q237 VanDerWaalsContact O-CG 3.27Å; I233-Q237 WeakPolarHBondContact O-CG 3.33Å; I233-Q237 PolarHBondContact O-N 3.17Å; L234-Q237 PolarHBondContact O-N 3.16Å; R235-Q237 VanDerWaalsContact C-N 3.32Å; R235-Q237 PolarHBondContact O-N 3.15Å; Q237-R240 PolarHBondContact O-N 3.48Å; Q237-L241 VanDerWaalsContact O-CB 3.24Å; Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 PolarHBondContact O-N 2.92Å |
| 238 | L | 90.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.8 | -73.4 | 172.6 | 0 | 0 | 0 | 111.6 | L210 I214 A217 L234 R235 L236 L241 F242 F271 | L210-L238 HydrophobicContact CD2-CD2 3.74Å; I214-L238 HydrophobicContact CG1-CD1 4.36Å; I214-L238 HydrophobicContact CG1-CD2 4.34Å; A217-L238 HydrophobicContact CB-CD1 3.56Å; L234-L238 HydrophobicContact CD1-CD1 4.39Å; L234-L238 HydrophobicContact CD1-CG 4.34Å; L234-L238 HydrophobicContact CG-CD1 4.07Å; L234-L238 HydrophobicContact CG-CG 4.45Å; L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.05Å; R235-L238 PolarHBondContact O-N 3.35Å; L236-L238 VanDerWaalsContact C-N 3.35Å; L236-L238 PolarHBondContact O-N 3.24Å; L238-L241 PolarHBondContact O-N 2.97Å; L238-F242 HydrophobicContact CB-CE2 4.5Å; L238-F242 WeakPolarHBondContact O-CD2 3.39Å; L238-F242 WeakPolarHBondContact O-CG 3.47Å; L238-F242 PolarHBondContact O-N 2.83Å; L238-F271 HydrophobicContact CB-CE2 4.16Å; L238-F271 HydrophobicContact CB-CZ 3.86Å; L238-F271 HydrophobicContact CD1-CE2 4.13Å |
| 239 | V | 90.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | R235 L236 L241 F242 E243 F271 L293 H296 F297 M300 | R235-V239 WeakPolarHBondContact O-CG2 3.12Å; R235-V239 PolarHBondContact O-N 3.27Å; L236-V239 PolarHBondContact O-N 3.27Å; V239-L241 VanDerWaalsContact C-N 3.32Å; V239-L241 PolarHBondContact O-N 3.2Å; V239-F242 PolarHBondContact O-N 3.23Å; V239-E243 WeakPolarHBondContact O-CB 3.37Å; V239-E243 PolarHBondContact O-N 3.24Å; V239-F271 HydrophobicContact CG2-CE1 4.07Å; V239-F271 HydrophobicContact CG2-CZ 3.93Å; V239-L293 HydrophobicContact CB-CD1 4.5Å; V239-L293 HydrophobicContact CG2-CD1 4.09Å; V239-H296 VanDerWaalsContact CG1-C 3.43Å; V239-H296 HydrophobicContact CG1-CB 3.85Å; V239-H296 WeakPolarHBondContact CG1-O 3.48Å; V239-F297 HydrophobicContact CG1-CB 4.2Å; V239-F297 HydrophobicContact CG2-CD2 4.26Å; V239-M300 HydrophobicContact CB-SD 4.35Å; V239-M300 HydrophobicContact CG1-CB 4.14Å; V239-M300 HydrophobicContact CG1-CE 4.49Å; V239-M300 HydrophobicContact CG1-SD 3.99Å; V239-M300 HydrophobicContact CG2-SD 4.41Å |
| 240 | R | 88.5 | Confident | 84.6 | Confident | 14 Ų | 14 | 22.6 Ų | 22.6 | 5% | 0.053 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 176.6 | -69.5 | 170 | 77.6 | -153.1 | 19 | 112.4 | E32 D189 V192 L236 Q237 M244 H296 | E32-R240 IonicContact OE2-CZ 2.62Å; E32-R240 IonicContact OE2-NE 2.67Å; E32-R240 IonicContact OE2-NH2 3.98Å; E32-R240 PolarHBondContact OE2-NH2 3.39Å; D189-R240 IonicContact OD1-CZ 3.57Å; D189-R240 VanDerWaalsContact OD1-CZ 3.3Å; D189-R240 IonicContact OD1-NH1 3.17Å; D189-R240 PolarHBondContact OD1-NH1 3.03Å; D189-R240 IonicContact OD1-NH2 2.74Å; D189-R240 PolarHBondContact OD1-NH2 3.44Å; V192-R240 HydrophobicContact CG1-CB 3.89Å; L236-R240 HydrophobicContact CD1-CG 4.29Å; L236-R240 WeakPolarHBondContact O-CG 3.25Å; L236-R240 PolarHBondContact O-N 2.69Å; Q237-R240 PolarHBondContact O-N 3.48Å; R240-M244 WeakPolarHBondContact O-CB 3.18Å; R240-M244 PolarHBondContact O-N 3.22Å; R240-H296 HydrophobicContact CG-CB 4.09Å |
| 241 | L | 88 | Confident | 84.4 | Confident | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 177 | -177.3 | 64.1 | 0 | 0 | 0 | 111.4 | L195 L210 Q237 L238 V239 M244 A245 | L195-L241 HydrophobicContact CB-CD1 3.55Å; L195-L241 HydrophobicContact CD1-CD2 4.45Å; L210-L241 HydrophobicContact CD1-CD2 3.77Å; L210-L241 HydrophobicContact CD2-CD2 3.96Å; Q237-L241 VanDerWaalsContact O-CB 3.24Å; Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 PolarHBondContact O-N 2.92Å; L238-L241 PolarHBondContact O-N 2.97Å; V239-L241 VanDerWaalsContact C-N 3.32Å; V239-L241 PolarHBondContact O-N 3.2Å; L241-M244 PolarHBondContact O-N 3.03Å; L241-A245 WeakPolarHBondContact O-CB 3.32Å; L241-A245 PolarHBondContact O-N 2.77Å |
| 242 | F | 88.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.1 | -41.9 | 175.7 | -72.2 | -47.5 | 0 | 0 | 0 | 112.3 | L207 I214 L238 V239 M244 A245 I246 F251 F271 M300 | L207-F242 HydrophobicContact CD1-CE1 4.34Å; I214-F242 HydrophobicContact CD1-CZ 3.73Å; I214-F242 HydrophobicContact CG1-CZ 4.16Å; L238-F242 HydrophobicContact CB-CE2 4.5Å; L238-F242 WeakPolarHBondContact O-CD2 3.39Å; L238-F242 WeakPolarHBondContact O-CG 3.47Å; L238-F242 PolarHBondContact O-N 2.83Å; V239-F242 PolarHBondContact O-N 3.23Å; F242-M244 VanDerWaalsContact C-N 3.27Å; F242-M244 PolarHBondContact O-N 3Å; F242-A245 PolarHBondContact O-N 3.48Å; F242-A245 VanDerWaalsContact O-N 3.14Å; F242-I246 WeakPolarHBondContact O-CD1 3.32Å; F242-I246 VanDerWaalsContact O-CG1 3.24Å; F242-I246 WeakPolarHBondContact O-CG1 3.36Å; F242-I246 PolarHBondContact O-N 2.92Å; F242-F251 HydrophobicContact CD1-CE2 4.38Å; F242-F251 AromaticContact CD1-CZ 3.79Å; F242-F251 HydrophobicContact CD1-CZ 3.79Å; F242-F251 HydrophobicContact CE1-CZ 4.35Å; F242-F271 AromaticContact CD2-CD1 3.94Å; F242-F271 HydrophobicContact CD2-CD1 3.94Å; F242-F271 AromaticContact CD2-CE1 3.51Å; F242-F271 HydrophobicContact CD2-CE1 3.51Å; F242-F271 HydrophobicContact CD2-CZ 4.05Å; F242-F271 AromaticContact CE2-CD1 3.69Å; F242-F271 HydrophobicContact CE2-CD1 3.69Å; F242-F271 HydrophobicContact CE2-CD2 4.46Å; F242-F271 AromaticContact CE2-CE1 3.55Å; F242-F271 HydrophobicContact CE2-CE1 3.55Å; F242-F271 HydrophobicContact CE2-CE2 4.33Å; F242-F271 HydrophobicContact CE2-CG 4.15Å; F242-F271 AromaticContact CE2-CZ 3.89Å; F242-F271 HydrophobicContact CE2-CZ 3.89Å; F242-M300 HydrophobicContact CB-CG 4.15Å; F242-M300 HydrophobicContact CB-SD 3.64Å; F242-M300 HydrophobicContact CD2-SD 4.24Å; F242-M300 HydrophobicContact CG-SD 4.41Å |
| 243 | E | 86.9 | Confident | 83.4 | Confident | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.1 | -48.3 | 171.8 | -175.3 | -169.3 | 161.1 | 0 | 0 | 111.1 | V239 I246 F247 H296 K299 M300 | V239-E243 WeakPolarHBondContact O-CB 3.37Å; V239-E243 PolarHBondContact O-N 3.24Å; E243-I246 WeakPolarHBondContact O-CB 3.33Å; E243-I246 PolarHBondContact O-N 3.38Å; E243-F247 PolarHBondContact O-N 2.89Å; E243-H296 IonicContact OE1-ND1 3.94Å; E243-H296 IonicContact OE2-CE1 3.1Å; E243-H296 IonicContact OE2-CG 3.86Å; E243-H296 IonicContact OE2-ND1 3.7Å; E243-H296 PolarHBondContact OE2-ND1 3.36Å; E243-K299 HydrophobicContact CG-CB 4.3Å; E243-K299 VanDerWaalsContact OE1-CD 3.27Å; E243-K299 WeakPolarHBondContact OE1-CD 3.24Å; E243-M300 HydrophobicContact CB-CB 4.22Å |
| 244 | M | 81.3 | Confident | 83 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.6 | -176.2 | 73 | 66.9 | 0 | 0 | 112.9 | Y33 W36 G196 R240 L241 F242 I246 F247 R248 | Y33-M244 HydrophobicContact CD1-CE 3.85Å; Y33-M244 HydrophobicContact CD1-SD 4.46Å; Y33-M244 HydrophobicContact CE1-CE 2.98Å; Y33-M244 HydrophobicContact CE1-SD 3.34Å; Y33-M244 WeakPolarHBondContact CE1-SD 3.44Å; Y33-M244 VanDerWaalsContact OH-CE 3.25Å; Y33-M244 WeakPolarHBondContact OH-CE 3.49Å; Y33-M244 PolarHBondContact OH-SD 3Å; Y33-M244 VanDerWaalsContact OH-SD 3.34Å; W36-M244 HydrophobicContact CH2-CE 4Å; W36-M244 HydrophobicContact CZ3-CE 3.72Å; G196-M244 VanDerWaalsContact C-CG 3.49Å; G196-M244 VanDerWaalsContact CA-CG 3.4Å; G196-M244 VanDerWaalsContact O-CG 3.22Å; G196-M244 WeakPolarHBondContact O-CG 3.22Å; R240-M244 WeakPolarHBondContact O-CB 3.18Å; R240-M244 PolarHBondContact O-N 3.22Å; L241-M244 PolarHBondContact O-N 3.03Å; F242-M244 VanDerWaalsContact C-N 3.27Å; F242-M244 PolarHBondContact O-N 3Å; M244-I246 VanDerWaalsContact C-N 3.26Å; M244-I246 PolarHBondContact O-N 3.01Å; M244-F247 PolarHBondContact O-N 3.14Å; M244-F247 HydrophobicContact SD-CD1 4.43Å; M244-R248 HydrophobicContact CG-CG 4.44Å; M244-R248 WeakPolarHBondContact O-CG 3.48Å; M244-R248 PolarHBondContact O-N 2.9Å; M244-R248 HydrophobicContact SD-CG 4.44Å |
| 245 | A | 83.1 | Confident | 82.2 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -36.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F203 L241 F242 G249 C250 F251 | F203-A245 HydrophobicContact CE2-CB 3.62Å; F203-A245 HydrophobicContact CZ-CB 3.84Å; L241-A245 WeakPolarHBondContact O-CB 3.32Å; L241-A245 PolarHBondContact O-N 2.77Å; F242-A245 PolarHBondContact O-N 3.48Å; F242-A245 VanDerWaalsContact O-N 3.14Å; A245-G249 PolarHBondContact O-N 2.91Å; A245-C250 HydrophobicContact CB-CB 4.27Å; A245-C250 WeakPolarHBondContact O-CB 3.22Å; A245-C250 PolarHBondContact O-N 2.91Å; A245-F251 HydrophobicContact CB-CD2 4.29Å; A245-F251 HydrophobicContact CB-CE2 3.96Å; A245-F251 HydrophobicContact CB-CZ 4.42Å |
| 246 | I | 84.2 | Confident | 81.8 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -52.3 | 171.4 | -61.3 | 156.8 | 0 | 0 | 0 | 109.9 | F242 E243 M244 R248 G249 F251 M300 S303 L304 | F242-I246 WeakPolarHBondContact O-CD1 3.32Å; F242-I246 VanDerWaalsContact O-CG1 3.24Å; F242-I246 WeakPolarHBondContact O-CG1 3.36Å; F242-I246 PolarHBondContact O-N 2.92Å; E243-I246 WeakPolarHBondContact O-CB 3.33Å; E243-I246 PolarHBondContact O-N 3.38Å; M244-I246 VanDerWaalsContact C-N 3.26Å; M244-I246 PolarHBondContact O-N 3.01Å; I246-R248 PolarHBondContact O-N 3.36Å; I246-G249 PolarHBondContact O-N 2.97Å; I246-F251 HydrophobicContact CB-CD2 4.09Å; I246-F251 HydrophobicContact CD1-CE2 4.34Å; I246-F251 HydrophobicContact CG1-CD2 3.32Å; I246-F251 HydrophobicContact CG1-CE2 3.49Å; I246-F251 VanDerWaalsContact CG1-CE2 3.49Å; I246-M300 HydrophobicContact CD1-CG 3.84Å; I246-M300 VanDerWaalsContact CD1-O 3.26Å; I246-M300 WeakPolarHBondContact CD1-O 3.38Å; I246-S303 WeakPolarHBondContact CG2-O 3.41Å; I246-L304 HydrophobicContact CD1-CB 3.69Å; I246-L304 HydrophobicContact CD1-CD1 4.17Å; I246-L304 HydrophobicContact CD1-CG 4.48Å; I246-L304 HydrophobicContact CG1-CB 4.4Å; I246-L304 HydrophobicContact CG1-CD1 4.14Å |
| 247 | F | 78.6 | Confident | 81.5 | Confident | 147 Ų | 147 | 28.5 Ų | 28.5 | 65% | 0.645 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -56.9 | -35.6 | -179.1 | 179.1 | -100.1 | 0 | 0 | 0 | 112.5 | E243 M244 G249 | E243-F247 PolarHBondContact O-N 2.89Å; M244-F247 PolarHBondContact O-N 3.14Å; M244-F247 HydrophobicContact SD-CD1 4.43Å; F247-G249 VanDerWaalsContact C-N 3.29Å; F247-G249 PolarHBondContact O-N 2.69Å |
| 248 | R | 75.5 | Confident | 81.2 | Confident | 53 Ų | 53 | 31 Ų | 31 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -0.7 | 176.4 | -69.7 | -62.6 | -178.8 | 93.4 | 21.7 | 115.2 | S44 S197 M244 I246 C250 | S44-R248 PolarHBondContact OG-NH1 3.17Å; S44-R248 PolarHBondContact OG-NH2 3.16Å; S197-R248 PolarHBondContact OG-NH2 2.64Å; S197-R248 VanDerWaalsContact OG-NH2 3.16Å; M244-R248 HydrophobicContact CG-CG 4.44Å; M244-R248 WeakPolarHBondContact O-CG 3.48Å; M244-R248 PolarHBondContact O-N 2.9Å; M244-R248 HydrophobicContact SD-CG 4.44Å; I246-R248 PolarHBondContact O-N 3.36Å; R248-C250 PolarHBondContact O-N 3.23Å |
| 249 | G | 75.3 | Confident | 80.5 | Confident | 28 Ų | 28 | 37 Ų | 37 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 18.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A245 I246 F247 F251 A252 S253 | A245-G249 PolarHBondContact O-N 2.91Å; I246-G249 PolarHBondContact O-N 2.97Å; F247-G249 VanDerWaalsContact C-N 3.29Å; F247-G249 PolarHBondContact O-N 2.69Å; G249-F251 PolarHBondContact O-N 3.38Å; G249-A252 WeakPolarHBondContact O-CB 3.12Å; G249-A252 PolarHBondContact O-N 3.49Å; G249-S253 PolarHBondContact O-N 3.46Å |
| 250 | C | 81 | Confident | 79.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -35.1 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | F203 A245 R248 A252 S253 Y254 | F203-C250 HydrophobicContact CB-CB 4.31Å; F203-C250 HydrophobicContact CD1-CB 4.25Å; F203-C250 HydrophobicContact CD2-CB 3.97Å; F203-C250 HydrophobicContact CE2-CB 4.36Å; F203-C250 HydrophobicContact CG-CB 3.91Å; A245-C250 HydrophobicContact CB-CB 4.27Å; A245-C250 WeakPolarHBondContact O-CB 3.22Å; A245-C250 PolarHBondContact O-N 2.91Å; R248-C250 PolarHBondContact O-N 3.23Å; C250-A252 VanDerWaalsContact C-N 3.34Å; C250-S253 PolarHBondContact O-N 3.08Å; C250-Y254 WeakPolarHBondContact O-CB 3.18Å; C250-Y254 PolarHBondContact O-N 3.26Å |
| 251 | F | 78 | Confident | 79.4 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.6 | -15 | 177.4 | -78.3 | -35.7 | 0 | 0 | 0 | 115.3 | F203 F242 A245 I246 G249 Y254 I256 | F203-F251 AromaticContact CE1-CD1 3.74Å; F203-F251 HydrophobicContact CE1-CD1 3.74Å; F203-F251 AromaticContact CE1-CE1 3.44Å; F203-F251 HydrophobicContact CE1-CE1 3.44Å; F203-F251 VanDerWaalsContact CE1-CE1 3.44Å; F203-F251 HydrophobicContact CE1-CZ 4.2Å; F203-F251 HydrophobicContact CZ-CD1 4.22Å; F203-F251 AromaticContact CZ-CE1 3.68Å; F203-F251 HydrophobicContact CZ-CE1 3.68Å; F203-F251 AromaticContact CZ-CZ 3.96Å; F203-F251 HydrophobicContact CZ-CZ 3.96Å; F242-F251 HydrophobicContact CD1-CE2 4.38Å; F242-F251 AromaticContact CD1-CZ 3.79Å; F242-F251 HydrophobicContact CD1-CZ 3.79Å; F242-F251 HydrophobicContact CE1-CZ 4.35Å; A245-F251 HydrophobicContact CB-CD2 4.29Å; A245-F251 HydrophobicContact CB-CE2 3.96Å; A245-F251 HydrophobicContact CB-CZ 4.42Å; I246-F251 HydrophobicContact CB-CD2 4.09Å; I246-F251 HydrophobicContact CD1-CE2 4.34Å; I246-F251 HydrophobicContact CG1-CD2 3.32Å; I246-F251 HydrophobicContact CG1-CE2 3.49Å; I246-F251 VanDerWaalsContact CG1-CE2 3.49Å; G249-F251 PolarHBondContact O-N 3.38Å; F251-Y254 CarbonylContact C-O 3.58Å; F251-I256 HydrophobicContact CB-CD1 3.42Å; F251-I256 VanDerWaalsContact CB-CD1 3.42Å; F251-I256 HydrophobicContact CB-CG1 4.43Å; F251-I256 HydrophobicContact CD1-CD1 2.88Å; F251-I256 HydrophobicContact CD1-CG1 3.43Å; F251-I256 VanDerWaalsContact CD1-CG1 3.43Å; F251-I256 HydrophobicContact CD2-CD1 4.07Å; F251-I256 HydrophobicContact CE1-CD1 3.47Å; F251-I256 VanDerWaalsContact CE1-CD1 3.47Å; F251-I256 HydrophobicContact CE1-CG1 3.89Å; F251-I256 HydrophobicContact CG-CD1 3.19Å; F251-I256 HydrophobicContact CG-CG1 4.18Å; F251-I256 HydrophobicContact CZ-CD1 4.27Å |
| 252 | A | 71.9 | Confident | 79.2 | Confident | 89 Ų | 89 | 45.8 Ų | 45.8 | 74% | 0.736 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -81.9 | -32.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | G249 C250 | G249-A252 WeakPolarHBondContact O-CB 3.12Å; G249-A252 PolarHBondContact O-N 3.49Å; C250-A252 VanDerWaalsContact C-N 3.34Å |
| 253 | S | 72.1 | Confident | 79 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.6 | -40.7 | 176.1 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | G249 C250 | G249-S253 PolarHBondContact O-N 3.46Å; C250-S253 PolarHBondContact O-N 3.08Å |
| 254 | Y | 75.5 | Confident | 79 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 120.9 | 174.6 | -179.6 | -115 | 0 | 0 | 0 | 110.9 | D204 L207 C250 F251 I256 K265 | D204-Y254 HydrophobicContact CB-CE2 4.41Å; D204-Y254 VanDerWaalsContact CG-CE2 3.43Å; D204-Y254 WeakPolarHBondContact OD1-CD2 3.41Å; D204-Y254 VanDerWaalsContact OD1-CE2 3.27Å; D204-Y254 WeakPolarHBondContact OD1-CE2 3.24Å; D204-Y254 WeakPolarHBondContact OD2-CD2 3.36Å; D204-Y254 WeakPolarHBondContact OD2-CE2 3.33Å; L207-Y254 HydrophobicContact CD2-CE1 3.67Å; C250-Y254 WeakPolarHBondContact O-CB 3.18Å; C250-Y254 PolarHBondContact O-N 3.26Å; F251-Y254 CarbonylContact C-O 3.58Å; Y254-I256 HydrophobicContact CD1-CG1 3.81Å; Y254-I256 HydrophobicContact CE1-CG1 4.37Å; Y254-I256 PolarHBondContact O-N 2.86Å; Y254-K265 HydrophobicContact CE1-CD 4.27Å; Y254-K265 PolarHBondContact OH-NZ 2.9Å |
| 255 | S | 73.4 | Confident | 79.3 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 92.8 | 176.2 | 56 | 0 | 0 | 0 | 0 | 111.3 | K265 | S255-K265 WeakPolarHBondContact O-CE 3.31Å; S255-K265 PolarHBondContact O-NZ 3.42Å |
| 256 | I | 79.5 | Confident | 79.3 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | trans | -78.2 | -28.9 | 172.5 | -55.2 | 159 | 0 | 0 | 0 | 111.4 | F251 Y254 E258 L264 K265 L268 F308 | F251-I256 HydrophobicContact CB-CD1 3.42Å; F251-I256 VanDerWaalsContact CB-CD1 3.42Å; F251-I256 HydrophobicContact CB-CG1 4.43Å; F251-I256 HydrophobicContact CD1-CD1 2.88Å; F251-I256 HydrophobicContact CD1-CG1 3.43Å; F251-I256 VanDerWaalsContact CD1-CG1 3.43Å; F251-I256 HydrophobicContact CD2-CD1 4.07Å; F251-I256 HydrophobicContact CE1-CD1 3.47Å; F251-I256 VanDerWaalsContact CE1-CD1 3.47Å; F251-I256 HydrophobicContact CE1-CG1 3.89Å; F251-I256 HydrophobicContact CG-CD1 3.19Å; F251-I256 HydrophobicContact CG-CG1 4.18Å; F251-I256 HydrophobicContact CZ-CD1 4.27Å; Y254-I256 HydrophobicContact CD1-CG1 3.81Å; Y254-I256 HydrophobicContact CE1-CG1 4.37Å; Y254-I256 PolarHBondContact O-N 2.86Å; I256-E258 PolarHBondContact O-N 3.38Å; I256-L264 HydrophobicContact CG2-CB 4.36Å; I256-L264 HydrophobicContact CG2-CD2 3.85Å; I256-K265 HydrophobicContact CG2-CB 4.44Å; I256-K265 VanDerWaalsContact O-CG 3.25Å; I256-K265 WeakPolarHBondContact O-CG 3.47Å; I256-K265 PolarHBondContact O-N 3.34Å; I256-L268 HydrophobicContact CD1-CD2 4.47Å; I256-L268 HydrophobicContact CG2-CD2 3.78Å; I256-F308 HydrophobicContact CD1-CZ 4.36Å | ||
| 257 | I | 80.8 | Confident | 79.4 | Confident | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 122.4 | 178.7 | -63 | 174.9 | 0 | 0 | 0 | 107.4 | P259 G262 F308 K312 L316 | I257-P259 WeakPolarHBondContact O-CD 3.41Å; I257-G262 WeakPolarHBondContact CG2-O 3.34Å; I257-F308 HydrophobicContact CD1-CD1 3.58Å; I257-F308 HydrophobicContact CD1-CE1 3.51Å; I257-F308 HydrophobicContact CD1-CG 4.4Å; I257-F308 HydrophobicContact CD1-CZ 4.28Å; I257-F308 HydrophobicContact CG1-CD1 4.36Å; I257-F308 HydrophobicContact CG1-CE1 3.79Å; I257-F308 HydrophobicContact CG1-CZ 4.19Å; I257-K312 HydrophobicContact CD1-CB 4.26Å; I257-K312 HydrophobicContact CD1-CD 4.2Å; I257-L316 HydrophobicContact CD1-CD2 3.9Å; I257-L316 HydrophobicContact CG1-CD2 3.99Å |
| 258 | E | 82.1 | Confident | 79.8 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | trans | -68.4 | 117.8 | 173.3 | 179.1 | 170.1 | -143 | 0 | 0 | 108.3 | I256 T260 T261 G262 Q263 R269 | I256-E258 PolarHBondContact O-N 3.38Å; E258-T260 WeakPolarHBondContact CG-OG1 3.22Å; E258-T260 PolarHBondContact O-N 3.01Å; E258-T260 VanDerWaalsContact O-N 3.1Å; E258-T261 WeakPolarHBondContact CB-OG1 3.25Å; E258-T261 HydrophobicContact CG-CG2 4.4Å; E258-T261 WeakPolarHBondContact CG-OG1 3.34Å; E258-T261 PolarHBondContact O-N 3.43Å; E258-T261 PolarHBondContact OE2-OG1 2.91Å; E258-G262 WeakPolarHBondContact O-CA 3.26Å; E258-G262 PolarHBondContact O-N 3.36Å; E258-Q263 WeakPolarHBondContact CB-O 3.45Å; E258-Q263 PolarHBondContact N-O 2.71Å; E258-R269 IonicContact OE2-NH1 2.91Å; E258-R269 IonicContact OE2-NH2 3.32Å | ||
| 259 | P | 75.1 | Confident | 80.4 | Confident | 126 Ų | 126 | 48 Ų | 48 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.5 | -168.8 | 22.7 | -32.2 | 0 | 0 | 0 | 113.6 | I257 | I257-P259 WeakPolarHBondContact O-CD 3.41Š|
| 260 | T | 76 | Confident | 80.9 | Confident | 119 Ų | 119 | 51.1 Ų | 51.1 | 73% | 0.73 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -37.3 | 179.3 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | E258 | E258-T260 WeakPolarHBondContact CG-OG1 3.22Å; E258-T260 PolarHBondContact O-N 3.01Å; E258-T260 VanDerWaalsContact O-N 3.1Å |
| 261 | T | 81.5 | Confident | 81.3 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -19.5 | -174.5 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | E258 Q263 | E258-T261 WeakPolarHBondContact CB-OG1 3.25Å; E258-T261 HydrophobicContact CG-CG2 4.4Å; E258-T261 WeakPolarHBondContact CG-OG1 3.34Å; E258-T261 PolarHBondContact O-N 3.43Å; E258-T261 PolarHBondContact OE2-OG1 2.91Å; T261-Q263 PolarHBondContact O-N 2.84Å; T261-Q263 PolarHBondContact OG1-N 3.49Å |
| 262 | G | 82.3 | Confident | 82 | Confident | 24 Ų | 24 | 51 Ų | 51 | 25% | 0.247 | 30% | 0.303 | C | S | . | . | trans | 70 | -0.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I257 E258 | I257-G262 WeakPolarHBondContact CG2-O 3.34Å; E258-G262 WeakPolarHBondContact O-CA 3.26Å; E258-G262 PolarHBondContact O-N 3.36Å | ||
| 263 | Q | 85.6 | Confident | 82.8 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -89.4 | 158.8 | -178.9 | -68.3 | 177.3 | 5.2 | 0 | 0 | 111.3 | E258 T261 N315 | E258-Q263 WeakPolarHBondContact CB-O 3.45Å; E258-Q263 PolarHBondContact N-O 2.71Å; T261-Q263 PolarHBondContact O-N 2.84Å; T261-Q263 PolarHBondContact OG1-N 3.49Å; Q263-N315 WeakPolarHBondContact CA-O 3.36Å; Q263-N315 WeakPolarHBondContact CG-O 3.4Å |
| 264 | L | 87 | Confident | 83.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 138.4 | 172.2 | -64.9 | 171.9 | 0 | 0 | 0 | 111 | I256 L268 R269 I272 L304 F308 L316 M317 | I256-L264 HydrophobicContact CG2-CB 4.36Å; I256-L264 HydrophobicContact CG2-CD2 3.85Å; L264-L268 HydrophobicContact CD1-CD2 4.39Å; L264-L268 HydrophobicContact CD2-CD2 4.32Å; L264-R269 HydrophobicContact CB-CG 3.79Å; L264-R269 WeakPolarHBondContact O-CD 3.37Å; L264-R269 WeakPolarHBondContact O-CG 3.37Å; L264-R269 PolarHBondContact O-NE 3.14Å; L264-R269 VanDerWaalsContact O-NE 3.16Å; L264-R269 PolarHBondContact O-NH1 3.48Å; L264-I272 HydrophobicContact CD1-CD1 4.21Å; L264-L304 HydrophobicContact CD1-CD2 3.88Å; L264-F308 HydrophobicContact CD2-CE2 4.09Å; L264-F308 HydrophobicContact CD2-CZ 4.14Å; L264-L316 HydrophobicContact CD2-CD2 4.12Å; L264-L316 HydrophobicContact CG-CD2 4.44Å; L264-L316 PolarHBondContact N-O 3.2Å; L264-M317 HydrophobicContact CD1-CG 4.22Å |
| 265 | K | 86 | Confident | 84.2 | Confident | 48 Ų | 48 | 46.5 Ų | 46.5 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -46.3 | 144.2 | 178.1 | -87.3 | 169.2 | -174.8 | 172 | 0 | 113.5 | Y254 S255 I256 F267 L268 R269 | Y254-K265 HydrophobicContact CE1-CD 4.27Å; Y254-K265 PolarHBondContact OH-NZ 2.9Å; S255-K265 WeakPolarHBondContact O-CE 3.31Å; S255-K265 PolarHBondContact O-NZ 3.42Å; I256-K265 HydrophobicContact CG2-CB 4.44Å; I256-K265 VanDerWaalsContact O-CG 3.25Å; I256-K265 WeakPolarHBondContact O-CG 3.47Å; I256-K265 PolarHBondContact O-N 3.34Å; K265-F267 VanDerWaalsContact C-N 3.27Å; K265-F267 HydrophobicContact CB-CD1 3.69Å; K265-F267 HydrophobicContact CB-CE1 3.58Å; K265-F267 HydrophobicContact CD-CD1 4.49Å; K265-F267 HydrophobicContact CD-CE1 3.96Å; K265-F267 HydrophobicContact CG-CE1 4.41Å; K265-F267 PolarHBondContact O-N 3.09Å; K265-F267 VanDerWaalsContact O-N 3.08Å; K265-L268 PolarHBondContact O-N 2.88Å; K265-R269 PolarHBondContact O-N 3.48Å |
| 266 | P | 84.5 | Confident | 85 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -49.3 | -42.1 | -173.8 | -26.8 | 29.8 | 0 | 0 | 0 | 114.7 | L268 R269 D270 | P266-L268 VanDerWaalsContact C-N 3.26Å; P266-L268 PolarHBondContact O-N 3.33Å; P266-R269 PolarHBondContact O-N 2.92Å; P266-D270 WeakPolarHBondContact O-CB 3.31Å; P266-D270 PolarHBondContact O-N 3.47Å |
| 267 | F | 85.7 | Confident | 85.3 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -36.2 | -178.2 | 81.9 | -91.9 | 0 | 0 | 0 | 113.1 | L207 K265 F271 | L207-F267 HydrophobicContact CD1-CD2 4.42Å; L207-F267 HydrophobicContact CD1-CE2 3.71Å; L207-F267 HydrophobicContact CD1-CZ 4.01Å; L207-F267 HydrophobicContact CD2-CE1 3.94Å; L207-F267 HydrophobicContact CD2-CE2 4.12Å; L207-F267 HydrophobicContact CD2-CZ 3.58Å; L207-F267 HydrophobicContact CG-CE2 4.4Å; L207-F267 HydrophobicContact CG-CZ 4.34Å; K265-F267 VanDerWaalsContact C-N 3.27Å; K265-F267 HydrophobicContact CB-CD1 3.69Å; K265-F267 HydrophobicContact CB-CE1 3.58Å; K265-F267 HydrophobicContact CD-CD1 4.49Å; K265-F267 HydrophobicContact CD-CE1 3.96Å; K265-F267 HydrophobicContact CG-CE1 4.41Å; K265-F267 PolarHBondContact O-N 3.09Å; K265-F267 VanDerWaalsContact O-N 3.08Å; F267-F271 WeakPolarHBondContact O-CB 3.49Å; F267-F271 PolarHBondContact O-N 2.99Å; F267-F271 VanDerWaalsContact O-N 3.12Å |
| 268 | L | 87.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -81 | -39.1 | -178.7 | -170.5 | 65.2 | 0 | 0 | 0 | 110.3 | I256 L264 K265 P266 F271 I272 L304 | I256-L268 HydrophobicContact CD1-CD2 4.47Å; I256-L268 HydrophobicContact CG2-CD2 3.78Å; L264-L268 HydrophobicContact CD1-CD2 4.39Å; L264-L268 HydrophobicContact CD2-CD2 4.32Å; K265-L268 PolarHBondContact O-N 2.88Å; P266-L268 VanDerWaalsContact C-N 3.26Å; P266-L268 PolarHBondContact O-N 3.33Å; L268-F271 PolarHBondContact O-N 2.7Å; L268-I272 HydrophobicContact CG-CD1 4.18Å; L268-I272 VanDerWaalsContact O-CG1 3.28Å; L268-I272 WeakPolarHBondContact O-CG1 3Å; L268-I272 PolarHBondContact O-N 3.5Å; L268-L304 HydrophobicContact CD2-CD1 4.37Å; L268-L304 HydrophobicContact CD2-CD2 4.08Å |
| 269 | R | 87.1 | Confident | 85.5 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 172.5 | -66.1 | -171.9 | -56.1 | -122.9 | 11.4 | 110.9 | E258 L264 K265 P266 F271 I272 E273 | E258-R269 IonicContact OE2-NH1 2.91Å; E258-R269 IonicContact OE2-NH2 3.32Å; L264-R269 HydrophobicContact CB-CG 3.79Å; L264-R269 WeakPolarHBondContact O-CD 3.37Å; L264-R269 WeakPolarHBondContact O-CG 3.37Å; L264-R269 PolarHBondContact O-NE 3.14Å; L264-R269 VanDerWaalsContact O-NE 3.16Å; L264-R269 PolarHBondContact O-NH1 3.48Å; K265-R269 PolarHBondContact O-N 3.48Å; P266-R269 PolarHBondContact O-N 2.92Å; R269-F271 VanDerWaalsContact C-N 3.32Å; R269-F271 PolarHBondContact O-N 2.88Å; R269-I272 PolarHBondContact O-N 2.9Å; R269-E273 WeakPolarHBondContact O-CB 3.05Å; R269-E273 PolarHBondContact O-N 3.05Å |
| 270 | D | 86.6 | Confident | 85.9 | Confident | 93 Ų | 93 | 40.3 Ų | 40.3 | 50% | 0.497 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 178.6 | -66.8 | -17.6 | 0 | 0 | 0 | 111.3 | P266 N274 | P266-D270 WeakPolarHBondContact O-CB 3.31Å; P266-D270 PolarHBondContact O-N 3.47Å; D270-N274 VanDerWaalsContact O-CB 3.25Å; D270-N274 WeakPolarHBondContact O-CB 3.45Å; D270-N274 VanDerWaalsContact O-CG 3.28Å; D270-N274 PolarHBondContact O-N 3.26Å; D270-N274 PolarHBondContact O-ND2 3.43Å |
| 271 | F | 89.8 | Confident | 86 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 176.4 | 179.1 | -102.4 | 0 | 0 | 0 | 112.3 | I214 A217 L238 V239 F242 F267 L268 R269 S275 M300 | I214-F271 HydrophobicContact CG2-CB 4.23Å; I214-F271 HydrophobicContact CG2-CD2 3.84Å; I214-F271 HydrophobicContact CG2-CG 4.34Å; A217-F271 HydrophobicContact CB-CE2 4.5Å; L238-F271 HydrophobicContact CB-CE2 4.16Å; L238-F271 HydrophobicContact CB-CZ 3.86Å; L238-F271 HydrophobicContact CD1-CE2 4.13Å; V239-F271 HydrophobicContact CG2-CE1 4.07Å; V239-F271 HydrophobicContact CG2-CZ 3.93Å; F242-F271 AromaticContact CD2-CD1 3.94Å; F242-F271 HydrophobicContact CD2-CD1 3.94Å; F242-F271 AromaticContact CD2-CE1 3.51Å; F242-F271 HydrophobicContact CD2-CE1 3.51Å; F242-F271 HydrophobicContact CD2-CZ 4.05Å; F242-F271 AromaticContact CE2-CD1 3.69Å; F242-F271 HydrophobicContact CE2-CD1 3.69Å; F242-F271 HydrophobicContact CE2-CD2 4.46Å; F242-F271 AromaticContact CE2-CE1 3.55Å; F242-F271 HydrophobicContact CE2-CE1 3.55Å; F242-F271 HydrophobicContact CE2-CE2 4.33Å; F242-F271 HydrophobicContact CE2-CG 4.15Å; F242-F271 AromaticContact CE2-CZ 3.89Å; F242-F271 HydrophobicContact CE2-CZ 3.89Å; F267-F271 WeakPolarHBondContact O-CB 3.49Å; F267-F271 PolarHBondContact O-N 2.99Å; F267-F271 VanDerWaalsContact O-N 3.12Å; L268-F271 PolarHBondContact O-N 2.7Å; R269-F271 VanDerWaalsContact C-N 3.32Å; R269-F271 PolarHBondContact O-N 2.88Å; F271-S275 VanDerWaalsContact O-CB 3.27Å; F271-S275 WeakPolarHBondContact O-CB 3.45Å; F271-S275 PolarHBondContact O-N 3.13Å; F271-S275 PolarHBondContact O-OG 3.38Å; F271-M300 HydrophobicContact CE1-CE 4.33Å; F271-M300 HydrophobicContact CE1-SD 4.31Å |
| 272 | I | 91.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 176.7 | -67.4 | 166.8 | 0 | 0 | 0 | 110 | L264 L268 R269 N274 S275 R276 F297 M300 L304 L321 L325 | L264-I272 HydrophobicContact CD1-CD1 4.21Å; L268-I272 HydrophobicContact CG-CD1 4.18Å; L268-I272 VanDerWaalsContact O-CG1 3.28Å; L268-I272 WeakPolarHBondContact O-CG1 3Å; L268-I272 PolarHBondContact O-N 3.5Å; R269-I272 PolarHBondContact O-N 2.9Å; I272-N274 PolarHBondContact O-N 3.04Å; I272-S275 PolarHBondContact O-N 3.18Å; I272-R276 WeakPolarHBondContact O-CB 3.22Å; I272-R276 PolarHBondContact O-N 2.81Å; I272-F297 HydrophobicContact CG2-CZ 4.21Å; I272-M300 HydrophobicContact CG1-CE 4.37Å; I272-L304 HydrophobicContact CD1-CD2 3.94Å; I272-L321 HydrophobicContact CG2-CD1 4.34Å; I272-L325 HydrophobicContact CG2-CD1 4.06Å; I272-L325 HydrophobicContact CG2-CD2 4.27Å |
| 273 | E | 90 | Very high | 84.3 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -40.9 | -178.8 | 176.4 | 57.1 | -164.1 | 0 | 0 | 112.5 | R269 R276 C277 L321 | R269-E273 WeakPolarHBondContact O-CB 3.05Å; R269-E273 PolarHBondContact O-N 3.05Å; E273-R276 IonicContact OE1-CZ 3.83Å; E273-R276 IonicContact OE1-NE 2.88Å; E273-R276 IonicContact OE1-NH2 2.93Å; E273-R276 PolarHBondContact OE1-NH2 3.06Å; E273-R276 IonicContact OE2-CZ 3.78Å; E273-R276 IonicContact OE2-NE 3.26Å; E273-R276 PolarHBondContact OE2-NE 3.09Å; E273-R276 IonicContact OE2-NH2 3.1Å; E273-R276 PolarHBondContact OE2-NH2 3.47Å; E273-C277 WeakPolarHBondContact O-CB 2.72Å; E273-C277 PolarHBondContact O-N 2.63Å; E273-C277 PolarHBondContact O-SG 3.24Å; E273-L321 HydrophobicContact CB-CD1 4.4Å; E273-L321 WeakPolarHBondContact OE2-CD1 3.48Å |
| 274 | N | 88.1 | Confident | 83.1 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -38.2 | 175 | -77.1 | -57.2 | 0 | 0 | 0 | 112.3 | C218 R220 D270 I272 Y278 | C218-N274 HydrophobicContact CB-CB 4.06Å; R220-N274 VanDerWaalsContact CZ-OD1 3.24Å; R220-N274 PolarHBondContact NE-OD1 3.39Å; R220-N274 PolarHBondContact NH2-OD1 3.17Å; D270-N274 VanDerWaalsContact O-CB 3.25Å; D270-N274 WeakPolarHBondContact O-CB 3.45Å; D270-N274 VanDerWaalsContact O-CG 3.28Å; D270-N274 PolarHBondContact O-N 3.26Å; D270-N274 PolarHBondContact O-ND2 3.43Å; I272-N274 PolarHBondContact O-N 3.04Å; N274-Y278 WeakPolarHBondContact O-CB 3.36Å; N274-Y278 PolarHBondContact O-N 2.95Å |
| 275 | S | 88 | Confident | 81.7 | Confident | 8 Ų | 8 | 50 Ų | 50 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | F271 I272 Y278 L279 F297 | F271-S275 VanDerWaalsContact O-CB 3.27Å; F271-S275 WeakPolarHBondContact O-CB 3.45Å; F271-S275 PolarHBondContact O-N 3.13Å; F271-S275 PolarHBondContact O-OG 3.38Å; I272-S275 PolarHBondContact O-N 3.18Å; S275-Y278 PolarHBondContact O-N 3.23Å; S275-L279 WeakPolarHBondContact O-CB 3.43Å; S275-L279 VanDerWaalsContact O-CG 3.27Å; S275-L279 WeakPolarHBondContact O-CG 3.16Å; S275-L279 PolarHBondContact O-N 3.16Å; S275-F297 VanDerWaalsContact CB-CE2 3.49Å |
| 276 | R | 90.3 | Very high | 80.3 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.2 | -55.1 | 171.8 | -177.4 | -162.1 | 70 | 76.6 | 3.8 | 111.5 | I272 E273 Y278 L279 E280 L325 L328 | I272-R276 WeakPolarHBondContact O-CB 3.22Å; I272-R276 PolarHBondContact O-N 2.81Å; E273-R276 IonicContact OE1-CZ 3.83Å; E273-R276 IonicContact OE1-NE 2.88Å; E273-R276 IonicContact OE1-NH2 2.93Å; E273-R276 PolarHBondContact OE1-NH2 3.06Å; E273-R276 IonicContact OE2-CZ 3.78Å; E273-R276 IonicContact OE2-NE 3.26Å; E273-R276 PolarHBondContact OE2-NE 3.09Å; E273-R276 IonicContact OE2-NH2 3.1Å; E273-R276 PolarHBondContact OE2-NH2 3.47Å; R276-Y278 PolarHBondContact O-N 3.22Å; R276-L279 PolarHBondContact O-N 3.5Å; R276-L279 VanDerWaalsContact O-N 3.12Å; R276-E280 IonicContact CZ-OE1 3.98Å; R276-E280 IonicContact CZ-OE2 2.77Å; R276-E280 IonicContact NH1-OE1 2.73Å; R276-E280 PolarHBondContact NH1-OE1 3.15Å; R276-E280 IonicContact NH1-OE2 2.62Å; R276-E280 PolarHBondContact NH1-OE2 2.8Å; R276-E280 PolarHBondContact O-N 2.98Å; R276-L325 HydrophobicContact CB-CD2 4.15Å; R276-L325 HydrophobicContact CG-CD2 4.01Å; R276-L328 HydrophobicContact CB-CD2 4.22Å; R276-L328 HydrophobicContact CG-CD2 3.64Å |
| 277 | C | 86.9 | Confident | 79.5 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.1 | -38 | 178.8 | -70.9 | 0 | 0 | 0 | 0 | 112.6 | R220 E273 A281 | R220-C277 PolarHBondContact NH2-SG 3.39Å; E273-C277 WeakPolarHBondContact O-CB 2.72Å; E273-C277 PolarHBondContact O-N 2.63Å; E273-C277 PolarHBondContact O-SG 3.24Å; C277-A281 WeakPolarHBondContact O-CB 3.22Å; C277-A281 PolarHBondContact O-N 3.06Å |
| 278 | Y | 82.9 | Confident | 78.8 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -47.3 | 176.8 | 172.8 | -92 | 0 | 0 | 0 | 111.2 | D232 N274 S275 R276 E280 A281 D282 L293 | D232-Y278 VanDerWaalsContact CG-OH 3.32Å; D232-Y278 PolarHBondContact OD1-OH 3.08Å; N274-Y278 WeakPolarHBondContact O-CB 3.36Å; N274-Y278 PolarHBondContact O-N 2.95Å; S275-Y278 PolarHBondContact O-N 3.23Å; R276-Y278 PolarHBondContact O-N 3.22Å; Y278-E280 VanDerWaalsContact C-N 3.31Å; Y278-E280 PolarHBondContact O-N 3.04Å; Y278-A281 PolarHBondContact O-N 2.74Å; Y278-D282 PolarHBondContact O-N 2.7Å; Y278-D282 PolarHBondContact OH-OD2 2.94Å; Y278-L293 HydrophobicContact CD1-CD2 4.1Å; Y278-L293 HydrophobicContact CE1-CD2 3.82Å |
| 279 | L | 84.1 | Confident | 78.2 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.2 | -27.8 | -178.3 | -71.2 | 174.6 | 0 | 0 | 0 | 113.2 | S275 R276 L293 F297 L328 W332 | S275-L279 WeakPolarHBondContact O-CB 3.43Å; S275-L279 VanDerWaalsContact O-CG 3.27Å; S275-L279 WeakPolarHBondContact O-CG 3.16Å; S275-L279 PolarHBondContact O-N 3.16Å; R276-L279 PolarHBondContact O-N 3.5Å; R276-L279 VanDerWaalsContact O-N 3.12Å; L279-L293 HydrophobicContact CD1-CG 4.4Å; L279-L293 HydrophobicContact CD2-CB 4.46Å; L279-L293 HydrophobicContact CD2-CD2 3.49Å; L279-L293 VanDerWaalsContact CD2-CD2 3.49Å; L279-L293 HydrophobicContact CD2-CG 3.84Å; L279-L293 HydrophobicContact CG-CD2 4.3Å; L279-F297 HydrophobicContact CD1-CB 4.1Å; L279-F297 HydrophobicContact CD1-CD1 3.67Å; L279-F297 HydrophobicContact CD1-CD2 4.48Å; L279-F297 HydrophobicContact CD1-CE1 4.18Å; L279-F297 HydrophobicContact CD1-CG 3.83Å; L279-L328 HydrophobicContact CB-CD2 4.21Å; L279-W332 HydrophobicContact CB-CH2 4.24Å; L279-W332 HydrophobicContact CB-CZ2 3.87Å; L279-W332 HydrophobicContact CD1-CH2 3.5Å; L279-W332 VanDerWaalsContact CD1-CH2 3.5Å; L279-W332 HydrophobicContact CD1-CZ2 3.98Å; L279-W332 HydrophobicContact CG-CH2 4.37Å; L279-W332 HydrophobicContact CG-CZ2 4.38Å |
| 280 | E | 82.7 | Confident | 77.6 | Confident | 84 Ų | 84 | 62.2 Ų | 62.2 | 39% | 0.393 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.3 | -33.6 | 171.6 | -78.4 | 175.5 | -170.1 | 0 | 0 | 113.4 | R276 Y278 L328 | R276-E280 IonicContact CZ-OE1 3.98Å; R276-E280 IonicContact CZ-OE2 2.77Å; R276-E280 IonicContact NH1-OE1 2.73Å; R276-E280 PolarHBondContact NH1-OE1 3.15Å; R276-E280 IonicContact NH1-OE2 2.62Å; R276-E280 PolarHBondContact NH1-OE2 2.8Å; R276-E280 PolarHBondContact O-N 2.98Å; Y278-E280 VanDerWaalsContact C-N 3.31Å; Y278-E280 PolarHBondContact O-N 3.04Å; E280-L328 HydrophobicContact CG-CD1 3.61Å; E280-L328 HydrophobicContact CG-CD2 4.43Å; E280-L328 HydrophobicContact CG-CG 4.44Å |
| 281 | A | 78.6 | Confident | 77.1 | Confident | 73 Ų | 73 | 60 Ų | 60 | 60% | 0.603 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -84.6 | -20.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | C277 Y278 H283 | C277-A281 WeakPolarHBondContact O-CB 3.22Å; C277-A281 PolarHBondContact O-N 3.06Å; Y278-A281 PolarHBondContact O-N 2.74Å; A281-H283 PolarHBondContact O-N 3.37Å |
| 282 | D | 67.6 | Low | 76.6 | Confident | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | trans | -87.3 | 101.4 | -175.7 | -142.5 | 19.2 | 0 | 0 | 0 | 110.1 | K228 Y278 D284 | K228-D282 IonicContact NZ-OD1 3.45Å; K228-D282 PolarHBondContact NZ-OD1 3.22Å; K228-D282 VanDerWaalsContact NZ-OD1 3.14Å; Y278-D282 PolarHBondContact O-N 2.7Å; Y278-D282 PolarHBondContact OH-OD2 2.94Å; D282-D284 VanDerWaalsContact C-N 3.29Å; D282-D284 PolarHBondContact O-N 3.1Å | ||
| 283 | H | 60.8 | Low | 76.2 | Confident | 171 Ų | 171 | 61.3 Ų | 61.3 | 79% | 0.792 | 33% | 0.333 | S | S | * | . | trans | -78.8 | -6.9 | 177.9 | -65.4 | -56.8 | 0 | 0 | 0 | 114 | A281 V285 | A281-H283 PolarHBondContact O-N 3.37Å; H283-V285 VanDerWaalsContact C-N 3.29Å; H283-V285 PolarHBondContact O-N 3.32Å | ||
| 284 | D | 59.4 | Low | 76 | Confident | 117 Ų | 117 | 59.1 Ų | 59.1 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | trans | -84.5 | 64.8 | 178.8 | -88.5 | -24.8 | 0 | 0 | 0 | 111.9 | D282 D286 T287 | D282-D284 VanDerWaalsContact C-N 3.29Å; D282-D284 PolarHBondContact O-N 3.1Å; D284-D286 PolarHBondContact O-N 3.5Å; D284-D286 VanDerWaalsContact O-N 3.17Å; D284-T287 PolarHBondContact O-OG1 3.3Å | ||
| 285 | V | 57.5 | Low | 75.8 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.4 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | H283 T287 | H283-V285 VanDerWaalsContact C-N 3.29Å; H283-V285 PolarHBondContact O-N 3.32Å; V285-T287 VanDerWaalsContact C-N 3.33Å; V285-T287 PolarHBondContact O-N 3.29Å |
| 286 | D | 56.5 | Low | 75.7 | Confident | 154 Ų | 154 | 58.4 Ų | 58.4 | 82% | 0.824 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.9 | -170.7 | -70.9 | -30.6 | 0 | 0 | 0 | 115.2 | D284 | D284-D286 PolarHBondContact O-N 3.5Å; D284-D286 VanDerWaalsContact O-N 3.17Å |
| 287 | T | 68.3 | Low | 75.7 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -80.2 | 132.5 | 174.9 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | D284 V285 M289 G290 C291 | D284-T287 PolarHBondContact O-OG1 3.3Å; V285-T287 VanDerWaalsContact C-N 3.33Å; V285-T287 PolarHBondContact O-N 3.29Å; T287-M289 PolarHBondContact O-N 2.68Å; T287-G290 WeakPolarHBondContact O-CA 3.05Å; T287-G290 PolarHBondContact O-N 2.95Å; T287-G290 PolarHBondContact OG1-N 3.2Å; T287-C291 PolarHBondContact O-N 3.31Å; T287-C291 VanDerWaalsContact O-N 3.08Å |
| 288 | Q | 71.5 | Confident | 75.9 | Confident | 178 Ų | 178 | 56.4 Ų | 56.4 | 83% | 0.832 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -51.3 | -32.4 | 176.1 | -173.7 | -178.8 | 7.7 | 0 | 0 | 112.7 | A292 | Q288-A292 WeakPolarHBondContact O-CB 3.41Å; Q288-A292 PolarHBondContact O-N 3.43Å; Q288-A292 VanDerWaalsContact O-N 3.13Å |
| 289 | M | 73.5 | Confident | 76.1 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67 | -44 | 173.8 | -174.7 | 66.6 | 57.7 | 0 | 0 | 112.3 | I233 L236 T287 A292 L293 | I233-M289 HydrophobicContact CG1-CE 3.66Å; I233-M289 HydrophobicContact CG1-SD 4.45Å; L236-M289 HydrophobicContact CB-SD 3.95Å; L236-M289 HydrophobicContact CD2-CE 4.31Å; L236-M289 HydrophobicContact CD2-SD 3.29Å; L236-M289 WeakPolarHBondContact CD2-SD 3.4Å; L236-M289 HydrophobicContact CG-SD 4.22Å; T287-M289 PolarHBondContact O-N 2.68Å; M289-A292 PolarHBondContact O-N 3.35Å; M289-L293 WeakPolarHBondContact O-CB 3.35Å; M289-L293 PolarHBondContact O-N 3.25Å |
| 290 | G | 74.6 | Confident | 76.5 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T287 A292 L293 H294 | T287-G290 WeakPolarHBondContact O-CA 3.05Å; T287-G290 PolarHBondContact O-N 2.95Å; T287-G290 PolarHBondContact OG1-N 3.2Å; G290-A292 PolarHBondContact O-N 3.2Å; G290-L293 PolarHBondContact O-N 2.84Å; G290-L293 VanDerWaalsContact O-N 3.14Å; G290-H294 PolarHBondContact O-CD2 3.38Å; G290-H294 VanDerWaalsContact O-CD2 3.29Å; G290-H294 PolarHBondContact O-N 2.95Å |
| 291 | C | 77.8 | Confident | 76.9 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 31% | 0.311 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | T287 L293 H294 L295 | T287-C291 PolarHBondContact O-N 3.31Å; T287-C291 VanDerWaalsContact O-N 3.08Å; C291-L293 VanDerWaalsContact C-N 3.32Å; C291-L293 PolarHBondContact O-N 3.36Å; C291-H294 PolarHBondContact O-N 3.18Å; C291-L295 PolarHBondContact O-N 3.48Å |
| 292 | A | 79.1 | Confident | 77.4 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L236 Q288 M289 G290 L295 H296 | L236-A292 HydrophobicContact CD1-CB 4.1Å; L236-A292 HydrophobicContact CD2-CB 3.97Å; Q288-A292 WeakPolarHBondContact O-CB 3.41Å; Q288-A292 PolarHBondContact O-N 3.43Å; Q288-A292 VanDerWaalsContact O-N 3.13Å; M289-A292 PolarHBondContact O-N 3.35Å; G290-A292 PolarHBondContact O-N 3.2Å; A292-L295 PolarHBondContact O-N 3.33Å; A292-H296 WeakPolarHBondContact O-CB 3.46Å; A292-H296 PolarHBondContact O-CD2 3.48Å; A292-H296 PolarHBondContact O-N 3.16Å |
| 293 | L | 82.6 | Confident | 78.3 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 177.8 | -170.3 | 63 | 0 | 0 | 0 | 111.6 | L236 V239 Y278 L279 M289 G290 C291 F297 | L236-L293 HydrophobicContact CB-CD1 4.13Å; L236-L293 HydrophobicContact CD1-CB 4.21Å; L236-L293 HydrophobicContact CD1-CD1 4.06Å; V239-L293 HydrophobicContact CB-CD1 4.5Å; V239-L293 HydrophobicContact CG2-CD1 4.09Å; Y278-L293 HydrophobicContact CD1-CD2 4.1Å; Y278-L293 HydrophobicContact CE1-CD2 3.82Å; L279-L293 HydrophobicContact CD1-CG 4.4Å; L279-L293 HydrophobicContact CD2-CB 4.46Å; L279-L293 HydrophobicContact CD2-CD2 3.49Å; L279-L293 VanDerWaalsContact CD2-CD2 3.49Å; L279-L293 HydrophobicContact CD2-CG 3.84Å; L279-L293 HydrophobicContact CG-CD2 4.3Å; M289-L293 WeakPolarHBondContact O-CB 3.35Å; M289-L293 PolarHBondContact O-N 3.25Å; G290-L293 PolarHBondContact O-N 2.84Å; G290-L293 VanDerWaalsContact O-N 3.14Å; C291-L293 VanDerWaalsContact C-N 3.32Å; C291-L293 PolarHBondContact O-N 3.36Å; L293-F297 WeakPolarHBondContact O-CB 3.22Å; L293-F297 PolarHBondContact O-N 3.23Å |
| 294 | H | 84.3 | Confident | 79.6 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 174.7 | -68.2 | -176.1 | 0 | 0 | 0 | 111.5 | G290 C291 A298 W332 Q354 | G290-H294 PolarHBondContact O-CD2 3.38Å; G290-H294 VanDerWaalsContact O-CD2 3.29Å; G290-H294 PolarHBondContact O-N 2.95Å; C291-H294 PolarHBondContact O-N 3.18Å; H294-A298 WeakPolarHBondContact O-CB 3.42Å; H294-A298 PolarHBondContact O-N 3.26Å; H294-A298 VanDerWaalsContact O-N 3.09Å; H294-W332 HydrophobicContact CB-CD2 4.14Å; H294-W332 HydrophobicContact CB-CE3 3.92Å; H294-W332 HydrophobicContact CB-CZ3 4.15Å; H294-W332 AromaticContact CD2-CE2 3.91Å; H294-W332 AromaticContact CD2-CZ2 3.78Å; H294-W332 AromaticContact CE1-NE1 3.73Å; H294-W332 AromaticContact CG-CD2 3.98Å; H294-W332 AromaticContact CG-CE2 3.91Å; H294-W332 AromaticContact ND1-CE2 3.97Å; H294-W332 AromaticContact ND1-NE1 3.9Å; H294-Q354 HydrophobicContact CB-CG 4.27Å; H294-Q354 VanDerWaalsContact CB-NE2 3.28Å; H294-Q354 PolarHBondContact ND1-NE2 2.86Å |
| 295 | L | 84.3 | Confident | 81 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -55.8 | 179.6 | 175.7 | 66.1 | 0 | 0 | 0 | 111.8 | C291 A292 F297 A298 K299 F357 | C291-L295 PolarHBondContact O-N 3.48Å; A292-L295 PolarHBondContact O-N 3.33Å; L295-F297 PolarHBondContact O-N 3.44Å; L295-A298 PolarHBondContact O-N 2.89Å; L295-K299 HydrophobicContact CD1-CD 4.44Å; L295-K299 HydrophobicContact CG-CD 4.47Å; L295-K299 WeakPolarHBondContact O-CG 3.26Å; L295-K299 PolarHBondContact O-N 3.16Å; L295-F357 HydrophobicContact CD1-CB 4.17Å; L295-F357 HydrophobicContact CD1-CD2 3.53Å; L295-F357 HydrophobicContact CD1-CE2 4.33Å; L295-F357 HydrophobicContact CD1-CG 4.15Å |
| 296 | H | 86.5 | Confident | 82.3 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.8 | -32.1 | -175.2 | -72.3 | -68.1 | 0 | 0 | 0 | 112.4 | E32 L236 V239 R240 E243 A292 K299 M300 | E32-H296 IonicContact OE1-NE2 3.56Å; E32-H296 IonicContact OE2-CE1 3.95Å; E32-H296 IonicContact OE2-NE2 2.71Å; L236-H296 HydrophobicContact CD1-CB 4.43Å; V239-H296 VanDerWaalsContact CG1-C 3.43Å; V239-H296 HydrophobicContact CG1-CB 3.85Å; V239-H296 WeakPolarHBondContact CG1-O 3.48Å; R240-H296 HydrophobicContact CG-CB 4.09Å; E243-H296 IonicContact OE1-ND1 3.94Å; E243-H296 IonicContact OE2-CE1 3.1Å; E243-H296 IonicContact OE2-CG 3.86Å; E243-H296 IonicContact OE2-ND1 3.7Å; E243-H296 PolarHBondContact OE2-ND1 3.36Å; A292-H296 WeakPolarHBondContact O-CB 3.46Å; A292-H296 PolarHBondContact O-CD2 3.48Å; A292-H296 PolarHBondContact O-N 3.16Å; H296-K299 PolarHBondContact O-N 3.3Å; H296-M300 VanDerWaalsContact O-CB 3.22Å; H296-M300 WeakPolarHBondContact O-CB 3.31Å; H296-M300 PolarHBondContact O-N 3.37Å |
| 297 | F | 90.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -44.8 | 176 | -174.7 | -107 | 0 | 0 | 0 | 111.5 | V239 I272 S275 L279 L293 L295 K299 M300 V301 L325 L328 F329 W332 | V239-F297 HydrophobicContact CG1-CB 4.2Å; V239-F297 HydrophobicContact CG2-CD2 4.26Å; I272-F297 HydrophobicContact CG2-CZ 4.21Å; S275-F297 VanDerWaalsContact CB-CE2 3.49Å; L279-F297 HydrophobicContact CD1-CB 4.1Å; L279-F297 HydrophobicContact CD1-CD1 3.67Å; L279-F297 HydrophobicContact CD1-CD2 4.48Å; L279-F297 HydrophobicContact CD1-CE1 4.18Å; L279-F297 HydrophobicContact CD1-CG 3.83Å; L293-F297 WeakPolarHBondContact O-CB 3.22Å; L293-F297 PolarHBondContact O-N 3.23Å; L295-F297 PolarHBondContact O-N 3.44Å; F297-K299 PolarHBondContact O-N 2.89Å; F297-M300 HydrophobicContact CD2-CE 3.61Å; F297-M300 HydrophobicContact CE2-CE 3.67Å; F297-M300 PolarHBondContact O-N 3.13Å; F297-V301 HydrophobicContact CE1-CG2 4.26Å; F297-V301 HydrophobicContact CE2-CG2 4.24Å; F297-V301 HydrophobicContact CZ-CG2 4.08Å; F297-V301 WeakPolarHBondContact O-CG2 3.37Å; F297-V301 PolarHBondContact O-N 3.34Å; F297-L325 HydrophobicContact CE1-CD2 3.9Å; F297-L325 HydrophobicContact CZ-CD2 4.01Å; F297-L328 HydrophobicContact CE1-CD2 4.34Å; F297-F329 AromaticContact CD1-CE1 3.82Å; F297-F329 HydrophobicContact CD1-CE1 3.82Å; F297-F329 HydrophobicContact CD1-CZ 4.09Å; F297-F329 HydrophobicContact CE1-CE1 4.07Å; F297-F329 AromaticContact CE1-CZ 3.99Å; F297-F329 HydrophobicContact CE1-CZ 3.99Å; F297-W332 AromaticContact CD1-CH2 3.83Å; F297-W332 HydrophobicContact CD1-CH2 3.83Å; F297-W332 HydrophobicContact CD1-CZ3 4.04Å; F297-W332 HydrophobicContact CE1-CH2 4.47Å |
| 298 | A | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H294 L295 V301 S302 F329 A361 | H294-A298 WeakPolarHBondContact O-CB 3.42Å; H294-A298 PolarHBondContact O-N 3.26Å; H294-A298 VanDerWaalsContact O-N 3.09Å; L295-A298 PolarHBondContact O-N 2.89Å; A298-V301 PolarHBondContact O-N 2.87Å; A298-S302 WeakPolarHBondContact O-CB 3.45Å; A298-S302 PolarHBondContact O-N 2.88Å; A298-F329 HydrophobicContact CB-CD1 4.18Å; A298-F329 HydrophobicContact CB-CE1 3.9Å; A298-A361 HydrophobicContact CB-CB 3.97Å |
| 299 | K | 88.1 | Confident | 84.9 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.4 | -77.1 | -175.4 | 168.4 | -157.9 | 0 | 113.1 | G30 N31 E243 L295 H296 F297 S303 F357 | G30-K299 PolarHBondContact O-NZ 3.38Å; N31-K299 PolarHBondContact OD1-NZ 3.03Å; E243-K299 HydrophobicContact CG-CB 4.3Å; E243-K299 VanDerWaalsContact OE1-CD 3.27Å; E243-K299 WeakPolarHBondContact OE1-CD 3.24Å; L295-K299 HydrophobicContact CD1-CD 4.44Å; L295-K299 HydrophobicContact CG-CD 4.47Å; L295-K299 WeakPolarHBondContact O-CG 3.26Å; L295-K299 PolarHBondContact O-N 3.16Å; H296-K299 PolarHBondContact O-N 3.3Å; F297-K299 PolarHBondContact O-N 2.89Å; K299-S303 WeakPolarHBondContact O-CB 3.1Å; K299-S303 PolarHBondContact O-N 2.84Å; K299-S303 PolarHBondContact O-OG 3.36Å; K299-F357 HydrophobicContact CD-CD1 4.4Å; K299-F357 HydrophobicContact CD-CE1 4.43Å; K299-F357 HydrophobicContact CD-CG 4.49Å; K299-F357 HydrophobicContact CG-CB 4.25Å; K299-F357 HydrophobicContact CG-CD1 3.65Å; K299-F357 HydrophobicContact CG-CD2 4.35Å; K299-F357 HydrophobicContact CG-CE1 4.08Å; K299-F357 HydrophobicContact CG-CG 3.83Å |
| 300 | M | 91.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 178.6 | -179.2 | -169.3 | 72.6 | 0 | 0 | 110.4 | V239 F242 E243 I246 F271 I272 H296 F297 L304 | V239-M300 HydrophobicContact CB-SD 4.35Å; V239-M300 HydrophobicContact CG1-CB 4.14Å; V239-M300 HydrophobicContact CG1-CE 4.49Å; V239-M300 HydrophobicContact CG1-SD 3.99Å; V239-M300 HydrophobicContact CG2-SD 4.41Å; F242-M300 HydrophobicContact CB-CG 4.15Å; F242-M300 HydrophobicContact CB-SD 3.64Å; F242-M300 HydrophobicContact CD2-SD 4.24Å; F242-M300 HydrophobicContact CG-SD 4.41Å; E243-M300 HydrophobicContact CB-CB 4.22Å; I246-M300 HydrophobicContact CD1-CG 3.84Å; I246-M300 VanDerWaalsContact CD1-O 3.26Å; I246-M300 WeakPolarHBondContact CD1-O 3.38Å; F271-M300 HydrophobicContact CE1-CE 4.33Å; F271-M300 HydrophobicContact CE1-SD 4.31Å; I272-M300 HydrophobicContact CG1-CE 4.37Å; H296-M300 VanDerWaalsContact O-CB 3.22Å; H296-M300 WeakPolarHBondContact O-CB 3.31Å; H296-M300 PolarHBondContact O-N 3.37Å; F297-M300 HydrophobicContact CD2-CE 3.61Å; F297-M300 HydrophobicContact CE2-CE 3.67Å; F297-M300 PolarHBondContact O-N 3.13Å; M300-L304 WeakPolarHBondContact O-CB 3.28Å; M300-L304 PolarHBondContact O-N 3.42Å |
| 301 | V | 91.2 | Very high | 85.3 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | -178.4 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | F297 A298 L304 I305 L325 F329 V365 | F297-V301 HydrophobicContact CE1-CG2 4.26Å; F297-V301 HydrophobicContact CE2-CG2 4.24Å; F297-V301 HydrophobicContact CZ-CG2 4.08Å; F297-V301 WeakPolarHBondContact O-CG2 3.37Å; F297-V301 PolarHBondContact O-N 3.34Å; A298-V301 PolarHBondContact O-N 2.87Å; V301-L304 PolarHBondContact O-N 3.46Å; V301-I305 HydrophobicContact CG1-CD1 4.01Å; V301-I305 WeakPolarHBondContact O-CG1 3.47Å; V301-I305 PolarHBondContact O-N 3.41Å; V301-I305 VanDerWaalsContact O-N 3.13Å; V301-L325 HydrophobicContact CG1-CD1 4.46Å; V301-F329 HydrophobicContact CB-CE2 4.33Å; V301-F329 HydrophobicContact CB-CZ 3.93Å; V301-F329 HydrophobicContact CG1-CE2 3.98Å; V301-F329 HydrophobicContact CG1-CZ 4.08Å; V301-F329 HydrophobicContact CG2-CZ 4.05Å; V301-V365 HydrophobicContact CG1-CG2 3.99Å |
| 302 | S | 89.9 | Confident | 85.4 | Confident | 15 Ų | 15 | 37 Ų | 37 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 177.6 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | A298 L304 I305 R306 S364 | A298-S302 WeakPolarHBondContact O-CB 3.45Å; A298-S302 PolarHBondContact O-N 2.88Å; S302-L304 VanDerWaalsContact C-N 3.32Å; S302-L304 PolarHBondContact O-N 3.47Å; S302-I305 PolarHBondContact O-N 3.17Å; S302-R306 WeakPolarHBondContact O-CB 3.2Å; S302-R306 PolarHBondContact O-N 3.32Å; S302-S364 PolarHBondContact OG-OG 3.1Å |
| 303 | S | 86.4 | Confident | 85.6 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 179.5 | -56 | 0 | 0 | 0 | 0 | 111.6 | I246 K299 R306 S307 | I246-S303 WeakPolarHBondContact CG2-O 3.41Å; K299-S303 WeakPolarHBondContact O-CB 3.1Å; K299-S303 PolarHBondContact O-N 2.84Å; K299-S303 PolarHBondContact O-OG 3.36Å; S303-R306 PolarHBondContact O-N 3.38Å; S303-S307 WeakPolarHBondContact O-CB 3.25Å; S303-S307 PolarHBondContact O-N 2.86Å |
| 304 | L | 88.2 | Confident | 85.4 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 178.7 | -178.6 | 63.6 | 0 | 0 | 0 | 110.4 | I246 L264 L268 I272 M300 V301 S302 S307 F308 | I246-L304 HydrophobicContact CD1-CB 3.69Å; I246-L304 HydrophobicContact CD1-CD1 4.17Å; I246-L304 HydrophobicContact CD1-CG 4.48Å; I246-L304 HydrophobicContact CG1-CB 4.4Å; I246-L304 HydrophobicContact CG1-CD1 4.14Å; L264-L304 HydrophobicContact CD1-CD2 3.88Å; L268-L304 HydrophobicContact CD2-CD1 4.37Å; L268-L304 HydrophobicContact CD2-CD2 4.08Å; I272-L304 HydrophobicContact CD1-CD2 3.94Å; M300-L304 WeakPolarHBondContact O-CB 3.28Å; M300-L304 PolarHBondContact O-N 3.42Å; V301-L304 PolarHBondContact O-N 3.46Å; S302-L304 VanDerWaalsContact C-N 3.32Å; S302-L304 PolarHBondContact O-N 3.47Å; L304-S307 PolarHBondContact O-N 2.96Å; L304-S307 PolarHBondContact O-OG 3.06Å; L304-F308 HydrophobicContact CD1-CE2 3.97Å; L304-F308 HydrophobicContact CD1-CZ 4.49Å; L304-F308 HydrophobicContact CG-CE2 4.31Å; L304-F308 WeakPolarHBondContact O-CD2 3.44Å; L304-F308 WeakPolarHBondContact O-CE2 3.33Å |
| 305 | I | 88.3 | Confident | 85.3 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 179.9 | -62 | 165.1 | 0 | 0 | 0 | 110.4 | V301 S302 S307 F308 R313 M317 V365 C368 | V301-I305 HydrophobicContact CG1-CD1 4.01Å; V301-I305 WeakPolarHBondContact O-CG1 3.47Å; V301-I305 PolarHBondContact O-N 3.41Å; V301-I305 VanDerWaalsContact O-N 3.13Å; S302-I305 PolarHBondContact O-N 3.17Å; I305-S307 PolarHBondContact O-N 2.75Å; I305-F308 PolarHBondContact O-N 3.5Å; I305-R313 PolarHBondContact O-NE 2.88Å; I305-M317 HydrophobicContact CD1-CE 3.62Å; I305-M317 HydrophobicContact CG1-CE 3.99Å; I305-V365 HydrophobicContact CD1-CG2 3.89Å; I305-C368 HydrophobicContact CD1-CB 4.37Å; I305-C368 HydrophobicContact CG2-CB 4.04Å |
| 306 | R | 86.2 | Confident | 85.3 | Confident | 135 Ų | 135 | 43.6 Ų | 43.6 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.2 | -25.2 | -178.8 | -161.1 | -178.6 | 178.4 | 86.2 | 1.5 | 113.2 | S302 S303 F308 R313 E405 | S302-R306 WeakPolarHBondContact O-CB 3.2Å; S302-R306 PolarHBondContact O-N 3.32Å; S303-R306 PolarHBondContact O-N 3.38Å; R306-F308 PolarHBondContact O-N 3.49Å; R306-R313 PolarHBondContact O-NH2 3.26Å; R306-E405 IonicContact CZ-OE1 2.73Å; R306-E405 IonicContact CZ-OE2 3.94Å; R306-E405 VanDerWaalsContact CZ-OE2 3.32Å; R306-E405 IonicContact NH1-OE1 2.68Å; R306-E405 PolarHBondContact NH1-OE1 3.2Å; R306-E405 IonicContact NH1-OE2 3.48Å; R306-E405 PolarHBondContact NH1-OE2 2.93Å; R306-E405 IonicContact NH2-OE1 3.44Å; R306-E405 IonicContact NH2-OE2 2.88Å; R306-E405 PolarHBondContact NH2-OE2 2.71Å |
| 307 | S | 83.1 | Confident | 85.4 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.8 | 179.2 | 74.9 | 0 | 0 | 0 | 0 | 114.5 | S303 L304 I305 | S303-S307 WeakPolarHBondContact O-CB 3.25Å; S303-S307 PolarHBondContact O-N 2.86Å; L304-S307 PolarHBondContact O-N 2.96Å; L304-S307 PolarHBondContact O-OG 3.06Å; I305-S307 PolarHBondContact O-N 2.75Å |
| 308 | F | 84.1 | Confident | 85.2 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 10% | 0.101 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -96.9 | 147 | 176.4 | -60.9 | -73.6 | 0 | 0 | 0 | 111.6 | I256 I257 L264 L304 I305 R306 K312 R313 L316 | I256-F308 HydrophobicContact CD1-CZ 4.36Å; I257-F308 HydrophobicContact CD1-CD1 3.58Å; I257-F308 HydrophobicContact CD1-CE1 3.51Å; I257-F308 HydrophobicContact CD1-CG 4.4Å; I257-F308 HydrophobicContact CD1-CZ 4.28Å; I257-F308 HydrophobicContact CG1-CD1 4.36Å; I257-F308 HydrophobicContact CG1-CE1 3.79Å; I257-F308 HydrophobicContact CG1-CZ 4.19Å; L264-F308 HydrophobicContact CD2-CE2 4.09Å; L264-F308 HydrophobicContact CD2-CZ 4.14Å; L304-F308 HydrophobicContact CD1-CE2 3.97Å; L304-F308 HydrophobicContact CD1-CZ 4.49Å; L304-F308 HydrophobicContact CG-CE2 4.31Å; L304-F308 WeakPolarHBondContact O-CD2 3.44Å; L304-F308 WeakPolarHBondContact O-CE2 3.33Å; I305-F308 PolarHBondContact O-N 3.5Å; R306-F308 PolarHBondContact O-N 3.49Å; F308-K312 HydrophobicContact CB-CB 4.35Å; F308-R313 HydrophobicContact CB-CG 4.4Å; F308-R313 PolarHBondContact O-NE 3.34Å; F308-R313 PolarHBondContact O-NH2 2.93Å; F308-L316 HydrophobicContact CB-CD1 4.32Å; F308-L316 HydrophobicContact CD2-CD1 3.72Å; F308-L316 HydrophobicContact CD2-CD2 4.03Å; F308-L316 HydrophobicContact CE2-CD1 4.4Å; F308-L316 HydrophobicContact CE2-CD2 4.13Å; F308-L316 HydrophobicContact CG-CD1 4.23Å; F308-L316 HydrophobicContact CG-CD2 4.33Å |
| 309 | S | 82 | Confident | 85 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | trans | -61.2 | 150.8 | 169.9 | 58.6 | 0 | 0 | 0 | 0 | 111 | E311 K312 R313 | S309-E311 VanDerWaalsContact C-N 3.26Å; S309-E311 PolarHBondContact O-N 2.84Å; S309-K312 PolarHBondContact O-N 3.07Å; S309-R313 PolarHBondContact O-N 2.85Å | ||
| 310 | I | 78.8 | Confident | 84.9 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -52.1 | -44.3 | -174.9 | -63.3 | 168.6 | 0 | 0 | 0 | 111.2 | K312 R313 L409 F413 | I310-K312 VanDerWaalsContact C-N 3.28Å; I310-K312 PolarHBondContact O-N 2.97Å; I310-R313 WeakPolarHBondContact O-CB 3.45Å; I310-R313 PolarHBondContact O-N 3.48Å; I310-L409 HydrophobicContact CD1-CD2 3.83Å; I310-L409 HydrophobicContact CG1-CD2 4.08Å; I310-L409 HydrophobicContact CG2-CD2 4.08Å; I310-F413 HydrophobicContact CG2-CE1 3.92Å; I310-F413 HydrophobicContact CG2-CE2 4.33Å; I310-F413 HydrophobicContact CG2-CZ 3.46Å; I310-F413 VanDerWaalsContact CG2-CZ 3.46Å |
| 311 | E | 77.8 | Confident | 84.9 | Confident | 165 Ų | 165 | 56 Ų | 56 | 77% | 0.771 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -56.5 | -36 | 176.9 | -62.2 | 167.6 | -173.8 | 0 | 0 | 114.1 | S309 R313 | S309-E311 VanDerWaalsContact C-N 3.26Å; S309-E311 PolarHBondContact O-N 2.84Å; E311-R313 VanDerWaalsContact C-N 3.31Å |
| 312 | K | 79.7 | Confident | 84.9 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -82.8 | -8.5 | -178.1 | -68.6 | -179.5 | -177.7 | 176.1 | 0 | 112.7 | I257 F308 S309 I310 L316 | I257-K312 HydrophobicContact CD1-CB 4.26Å; I257-K312 HydrophobicContact CD1-CD 4.2Å; F308-K312 HydrophobicContact CB-CB 4.35Å; S309-K312 PolarHBondContact O-N 3.07Å; I310-K312 VanDerWaalsContact C-N 3.28Å; I310-K312 PolarHBondContact O-N 2.97Å; K312-L316 WeakPolarHBondContact O-CG 3.4Å |
| 313 | R | 83.9 | Confident | 84.8 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -77.7 | -20.6 | -175.6 | -65.5 | -179.5 | -171.1 | 174.1 | 5.3 | 114.1 | I305 R306 F308 S309 I310 E311 N315 L316 C368 | I305-R313 PolarHBondContact O-NE 2.88Å; R306-R313 PolarHBondContact O-NH2 3.26Å; F308-R313 HydrophobicContact CB-CG 4.4Å; F308-R313 PolarHBondContact O-NE 3.34Å; F308-R313 PolarHBondContact O-NH2 2.93Å; S309-R313 PolarHBondContact O-N 2.85Å; I310-R313 WeakPolarHBondContact O-CB 3.45Å; I310-R313 PolarHBondContact O-N 3.48Å; E311-R313 VanDerWaalsContact C-N 3.31Å; R313-N315 VanDerWaalsContact C-N 3.34Å; R313-N315 PolarHBondContact O-N 3.41Å; R313-L316 HydrophobicContact CB-CD1 4.19Å; R313-L316 HydrophobicContact CG-CD1 4.07Å; R313-L316 PolarHBondContact O-N 2.7Å; R313-C368 CarbonylContact O-C 3.44Å; R313-C368 PolarHBondContact O-SG 3.09Å |
| 314 | L | 78.9 | Confident | 85 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -41.8 | -171.1 | -69.4 | 167.9 | 0 | 0 | 0 | 114.4 | F413 | L314-F413 HydrophobicContact CD2-CD1 3.63Å; L314-F413 HydrophobicContact CD2-CE1 3.73Å; L314-F413 HydrophobicContact CG-CE1 4.31Å |
| 315 | N | 82.6 | Confident | 85.2 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | 18.7 | -172.9 | -68.2 | -23.4 | 0 | 0 | 0 | 113.6 | Q263 R313 M317 | Q263-N315 WeakPolarHBondContact CA-O 3.36Å; Q263-N315 WeakPolarHBondContact CG-O 3.4Å; R313-N315 VanDerWaalsContact C-N 3.34Å; R313-N315 PolarHBondContact O-N 3.41Å; N315-M317 VanDerWaalsContact C-N 3.33Å; N315-M317 PolarHBondContact O-N 3.23Å |
| 316 | L | 84.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -62.2 | -38.5 | -174.4 | -75.8 | 172.9 | 0 | 0 | 0 | 113.3 | I257 L264 F308 K312 R313 | I257-L316 HydrophobicContact CD1-CD2 3.9Å; I257-L316 HydrophobicContact CG1-CD2 3.99Å; L264-L316 HydrophobicContact CD2-CD2 4.12Å; L264-L316 HydrophobicContact CG-CD2 4.44Å; L264-L316 PolarHBondContact N-O 3.2Å; F308-L316 HydrophobicContact CB-CD1 4.32Å; F308-L316 HydrophobicContact CD2-CD1 3.72Å; F308-L316 HydrophobicContact CD2-CD2 4.03Å; F308-L316 HydrophobicContact CE2-CD1 4.4Å; F308-L316 HydrophobicContact CE2-CD2 4.13Å; F308-L316 HydrophobicContact CG-CD1 4.23Å; F308-L316 HydrophobicContact CG-CD2 4.33Å; K312-L316 WeakPolarHBondContact O-CG 3.4Å; R313-L316 HydrophobicContact CB-CD1 4.19Å; R313-L316 HydrophobicContact CG-CD1 4.07Å; R313-L316 PolarHBondContact O-N 2.7Å |
| 317 | M | 87.1 | Confident | 85.3 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.044 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -137 | 149.5 | -174.5 | -64.2 | -174.2 | -72.5 | 0 | 0 | 110.7 | L264 I305 N315 L321 R322 L325 C368 | L264-M317 HydrophobicContact CD1-CG 4.22Å; I305-M317 HydrophobicContact CD1-CE 3.62Å; I305-M317 HydrophobicContact CG1-CE 3.99Å; N315-M317 VanDerWaalsContact C-N 3.33Å; N315-M317 PolarHBondContact O-N 3.23Å; M317-L321 HydrophobicContact CB-CD2 4.22Å; M317-L321 HydrophobicContact CG-CD2 4.19Å; M317-L321 HydrophobicContact SD-CD2 4.14Å; M317-R322 HydrophobicContact CB-CG 3.79Å; M317-R322 HydrophobicContact CE-CG 3.98Å; M317-L325 HydrophobicContact SD-CD1 4.02Å; M317-C368 HydrophobicContact CE-CB 4.3Å |
| 318 | S | 86.4 | Confident | 85.6 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | trans | -65.9 | 149.5 | 172.8 | 55 | 0 | 0 | 0 | 0 | 112.1 | D320 L321 R322 | S318-D320 VanDerWaalsContact C-N 3.28Å; S318-D320 PolarHBondContact O-N 2.93Å; S318-L321 PolarHBondContact O-N 3.45Å; S318-L321 VanDerWaalsContact O-N 3.16Å; S318-L321 VanDerWaalsContact OG-CB 3.25Å; S318-L321 WeakPolarHBondContact OG-CB 3.27Å; S318-L321 PolarHBondContact OG-N 3.12Å; S318-R322 WeakPolarHBondContact O-CG 3.35Å; S318-R322 PolarHBondContact O-N 2.97Å | ||
| 319 | N | 86.6 | Confident | 85.9 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 47% | 0.465 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.1 | -41 | 177.5 | -67.9 | -3.3 | 0 | 0 | 0 | 112.8 | L321 R322 K323 F372 | N319-L321 PolarHBondContact O-N 2.97Å; N319-R322 PolarHBondContact O-N 3.05Å; N319-R322 PolarHBondContact OD1-NH2 3.46Å; N319-K323 WeakPolarHBondContact O-CB 3.23Å; N319-K323 PolarHBondContact O-N 3.14Å; N319-F372 HydrophobicContact CB-CB 4.21Å |
| 320 | D | 86.6 | Confident | 86 | Confident | 120 Ų | 120 | 50.8 Ų | 50.8 | 64% | 0.642 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 178.6 | -60.1 | -45.4 | 0 | 0 | 0 | 112 | S318 R322 K323 N324 | S318-D320 VanDerWaalsContact C-N 3.28Å; S318-D320 PolarHBondContact O-N 2.93Å; D320-R322 VanDerWaalsContact C-N 3.35Å; D320-R322 PolarHBondContact O-N 3.36Å; D320-K323 PolarHBondContact O-N 2.85Å; D320-N324 WeakPolarHBondContact O-CB 3.37Å; D320-N324 PolarHBondContact O-N 3.23Å; D320-N324 PolarHBondContact O-ND2 2.98Å; D320-N324 VanDerWaalsContact O-ND2 3.13Å |
| 321 | L | 89.8 | Confident | 86.2 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.6 | 179.1 | 61.3 | 0 | 0 | 0 | 111.2 | I272 E273 M317 S318 N319 N324 L325 | I272-L321 HydrophobicContact CG2-CD1 4.34Å; E273-L321 HydrophobicContact CB-CD1 4.4Å; E273-L321 WeakPolarHBondContact OE2-CD1 3.48Å; M317-L321 HydrophobicContact CB-CD2 4.22Å; M317-L321 HydrophobicContact CG-CD2 4.19Å; M317-L321 HydrophobicContact SD-CD2 4.14Å; S318-L321 PolarHBondContact O-N 3.45Å; S318-L321 VanDerWaalsContact O-N 3.16Å; S318-L321 VanDerWaalsContact OG-CB 3.25Å; S318-L321 WeakPolarHBondContact OG-CB 3.27Å; S318-L321 PolarHBondContact OG-N 3.12Å; N319-L321 PolarHBondContact O-N 2.97Å; L321-N324 PolarHBondContact O-N 3.44Å; L321-L325 HydrophobicContact CD1-CD1 3.96Å; L321-L325 HydrophobicContact CD1-CG 4.05Å; L321-L325 HydrophobicContact CG-CD1 3.89Å; L321-L325 HydrophobicContact CG-CG 4.4Å; L321-L325 WeakPolarHBondContact O-CB 3.36Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.41Å; L321-L325 PolarHBondContact O-N 3.19Å |
| 322 | R | 92 | Very high | 86.5 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 177.7 | -67.6 | -166.8 | -68.4 | 146.4 | 6 | 111.4 | M317 S318 N319 D320 N324 L325 F326 V365 C368 H370 F372 | M317-R322 HydrophobicContact CB-CG 3.79Å; M317-R322 HydrophobicContact CE-CG 3.98Å; S318-R322 WeakPolarHBondContact O-CG 3.35Å; S318-R322 PolarHBondContact O-N 2.97Å; N319-R322 PolarHBondContact O-N 3.05Å; N319-R322 PolarHBondContact OD1-NH2 3.46Å; D320-R322 VanDerWaalsContact C-N 3.35Å; D320-R322 PolarHBondContact O-N 3.36Å; R322-N324 PolarHBondContact O-N 3.47Å; R322-L325 PolarHBondContact O-N 2.92Å; R322-F326 WeakPolarHBondContact O-CB 3.4Å; R322-F326 PolarHBondContact O-N 3.48Å; R322-V365 HydrophobicContact CB-CG1 3.95Å; R322-V365 HydrophobicContact CG-CG1 4.4Å; R322-V365 VanDerWaalsContact O-CG1 3.26Å; R322-V365 WeakPolarHBondContact O-CG1 3.35Å; R322-C368 PolarHBondContact NH1-O 2.72Å; R322-H370 VanDerWaalsContact CZ-O 3.23Å; R322-H370 PolarHBondContact NH1-O 3.46Å; R322-H370 PolarHBondContact NH2-O 3.33Å; R322-F372 HydrophobicContact CB-CB 4.25Å; R322-F372 HydrophobicContact CB-CD1 4.13Å; R322-F372 HydrophobicContact CB-CG 4.48Å |
| 323 | K | 88.7 | Confident | 86.5 | Confident | 73 Ų | 73 | 38.7 Ų | 38.7 | 32% | 0.317 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.6 | -50 | 176.6 | -175.4 | 170 | -177.7 | 159.7 | 0 | 111.2 | N319 D320 F326 Y327 F372 D373 | N319-K323 WeakPolarHBondContact O-CB 3.23Å; N319-K323 PolarHBondContact O-N 3.14Å; D320-K323 PolarHBondContact O-N 2.85Å; K323-F326 PolarHBondContact O-N 3.14Å; K323-Y327 HydrophobicContact CD-CE2 4.38Å; K323-Y327 HydrophobicContact CG-CD2 3.92Å; K323-Y327 HydrophobicContact CG-CE2 3.67Å; K323-Y327 WeakPolarHBondContact O-CD2 3.38Å; K323-Y327 PolarHBondContact O-N 3.09Å; K323-Y327 VanDerWaalsContact O-N 3.08Å; K323-F372 HydrophobicContact CB-CD2 3.65Å; K323-F372 HydrophobicContact CB-CE2 4.05Å; K323-F372 HydrophobicContact CB-CG 4.1Å; K323-F372 HydrophobicContact CD-CD2 4.26Å; K323-F372 HydrophobicContact CG-CD2 3.86Å; K323-F372 HydrophobicContact CG-CE2 3.9Å; K323-D373 IonicContact NZ-OD2 3.06Å |
| 324 | N | 90.2 | Very high | 86.1 | Confident | 58 Ų | 58 | 39 Ų | 39 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.2 | -41 | -178.9 | -65 | -26.8 | 0 | 0 | 0 | 112.3 | D320 L321 R322 F326 Y327 L328 | D320-N324 WeakPolarHBondContact O-CB 3.37Å; D320-N324 PolarHBondContact O-N 3.23Å; D320-N324 PolarHBondContact O-ND2 2.98Å; D320-N324 VanDerWaalsContact O-ND2 3.13Å; L321-N324 PolarHBondContact O-N 3.44Å; R322-N324 PolarHBondContact O-N 3.47Å; N324-F326 VanDerWaalsContact C-N 3.35Å; N324-Y327 PolarHBondContact O-N 3.43Å; N324-L328 VanDerWaalsContact O-CB 3.31Å; N324-L328 WeakPolarHBondContact O-CB 3.44Å; N324-L328 PolarHBondContact O-N 3.06Å |
| 325 | L | 91.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 173.8 | -74.3 | 172 | 0 | 0 | 0 | 111.8 | I272 R276 F297 V301 M317 L321 R322 L328 F329 V365 | I272-L325 HydrophobicContact CG2-CD1 4.06Å; I272-L325 HydrophobicContact CG2-CD2 4.27Å; R276-L325 HydrophobicContact CB-CD2 4.15Å; R276-L325 HydrophobicContact CG-CD2 4.01Å; F297-L325 HydrophobicContact CE1-CD2 3.9Å; F297-L325 HydrophobicContact CZ-CD2 4.01Å; V301-L325 HydrophobicContact CG1-CD1 4.46Å; M317-L325 HydrophobicContact SD-CD1 4.02Å; L321-L325 HydrophobicContact CD1-CD1 3.96Å; L321-L325 HydrophobicContact CD1-CG 4.05Å; L321-L325 HydrophobicContact CG-CD1 3.89Å; L321-L325 HydrophobicContact CG-CG 4.4Å; L321-L325 WeakPolarHBondContact O-CB 3.36Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.41Å; L321-L325 PolarHBondContact O-N 3.19Å; R322-L325 PolarHBondContact O-N 2.92Å; L325-L328 PolarHBondContact O-N 2.75Å; L325-F329 HydrophobicContact CB-CD2 4.37Å; L325-F329 HydrophobicContact CB-CE2 3.99Å; L325-F329 HydrophobicContact CD2-CE2 4.26Å; L325-F329 HydrophobicContact CD2-CZ 4.24Å; L325-F329 WeakPolarHBondContact O-CD2 3.46Å; L325-F329 VanDerWaalsContact O-CG 3.31Å; L325-F329 WeakPolarHBondContact O-CG 3.33Å; L325-F329 PolarHBondContact O-N 2.98Å; L325-V365 HydrophobicContact CB-CG1 4.4Å; L325-V365 HydrophobicContact CB-CG2 4.32Å |
| 326 | F | 90.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 178 | -177.2 | -95.1 | 0 | 0 | 0 | 111.5 | R322 K323 N324 F329 A330 L340 M362 V365 L366 F372 W387 | R322-F326 WeakPolarHBondContact O-CB 3.4Å; R322-F326 PolarHBondContact O-N 3.48Å; K323-F326 PolarHBondContact O-N 3.14Å; N324-F326 VanDerWaalsContact C-N 3.35Å; F326-F329 PolarHBondContact O-N 2.99Å; F326-A330 WeakPolarHBondContact O-CB 3.47Å; F326-A330 PolarHBondContact O-N 3.08Å; F326-L340 HydrophobicContact CE1-CD1 3.53Å; F326-L340 HydrophobicContact CZ-CD1 3.84Å; F326-M362 HydrophobicContact CD2-CB 4.07Å; F326-M362 HydrophobicContact CD2-CE 4.41Å; F326-M362 HydrophobicContact CD2-CG 4.43Å; F326-M362 HydrophobicContact CE1-CE 4.19Å; F326-M362 HydrophobicContact CE2-CB 3.96Å; F326-M362 HydrophobicContact CE2-CE 3.83Å; F326-M362 HydrophobicContact CE2-CG 4.49Å; F326-M362 HydrophobicContact CZ-CE 3.71Å; F326-V365 HydrophobicContact CB-CG1 4.23Å; F326-L366 HydrophobicContact CD2-CB 4.4Å; F326-L366 HydrophobicContact CE2-CB 4.25Å; F326-L366 HydrophobicContact CE2-CD1 4.39Å; F326-L366 HydrophobicContact CE2-CD2 4.45Å; F326-F372 HydrophobicContact CB-CE1 3.8Å; F326-F372 HydrophobicContact CB-CZ 3.85Å; F326-F372 HydrophobicContact CD1-CE1 4.3Å; F326-F372 AromaticContact CD1-CZ 3.69Å; F326-F372 HydrophobicContact CD1-CZ 3.69Å; F326-F372 HydrophobicContact CD2-CE1 4.13Å; F326-F372 HydrophobicContact CD2-CZ 4.3Å; F326-F372 HydrophobicContact CE1-CZ 4.29Å; F326-F372 AromaticContact CG-CE1 3.83Å; F326-F372 HydrophobicContact CG-CE1 3.83Å; F326-F372 AromaticContact CG-CZ 3.69Å; F326-F372 HydrophobicContact CG-CZ 3.69Å; F326-W387 HydrophobicContact CE2-CH2 4.39Å; F326-W387 HydrophobicContact CZ-CD2 4.48Å |
| 327 | Y | 87.3 | Confident | 84.3 | Confident | 88 Ų | 88 | 39.4 Ų | 39.4 | 35% | 0.345 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.2 | -34.8 | 176.9 | -73.7 | -66.4 | 0 | 0 | 0 | 113.4 | K323 N324 A330 S331 Y383 | K323-Y327 HydrophobicContact CD-CE2 4.38Å; K323-Y327 HydrophobicContact CG-CD2 3.92Å; K323-Y327 HydrophobicContact CG-CE2 3.67Å; K323-Y327 WeakPolarHBondContact O-CD2 3.38Å; K323-Y327 PolarHBondContact O-N 3.09Å; K323-Y327 VanDerWaalsContact O-N 3.08Å; N324-Y327 PolarHBondContact O-N 3.43Å; Y327-A330 WeakPolarHBondContact O-CB 3.47Å; Y327-A330 PolarHBondContact O-N 3.16Å; Y327-S331 PolarHBondContact O-N 2.94Å; Y327-S331 VanDerWaalsContact O-N 3.09Å; Y327-Y383 PolarHBondContact OH-OH 3Å |
| 328 | L | 88.3 | Confident | 83 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 173 | -178.8 | 59.1 | 0 | 0 | 0 | 110.8 | R276 L279 E280 F297 N324 L325 A330 S331 W332 | R276-L328 HydrophobicContact CB-CD2 4.22Å; R276-L328 HydrophobicContact CG-CD2 3.64Å; L279-L328 HydrophobicContact CB-CD2 4.21Å; E280-L328 HydrophobicContact CG-CD1 3.61Å; E280-L328 HydrophobicContact CG-CD2 4.43Å; E280-L328 HydrophobicContact CG-CG 4.44Å; F297-L328 HydrophobicContact CE1-CD2 4.34Å; N324-L328 VanDerWaalsContact O-CB 3.31Å; N324-L328 WeakPolarHBondContact O-CB 3.44Å; N324-L328 PolarHBondContact O-N 3.06Å; L325-L328 PolarHBondContact O-N 2.75Å; L328-A330 VanDerWaalsContact C-N 3.33Å; L328-A330 PolarHBondContact O-N 2.91Å; L328-S331 WeakPolarHBondContact O-CB 3.46Å; L328-S331 PolarHBondContact O-N 2.83Å; L328-S331 PolarHBondContact O-OG 2.73Å; L328-W332 HydrophobicContact CD1-CH2 4.28Å; L328-W332 HydrophobicContact CD1-CZ2 3.41Å; L328-W332 VanDerWaalsContact CD1-CZ2 3.41Å; L328-W332 HydrophobicContact CD2-CH2 3.77Å; L328-W332 HydrophobicContact CD2-CZ2 3.73Å; L328-W332 HydrophobicContact CG-CH2 3.78Å; L328-W332 HydrophobicContact CG-CZ2 3.4Å; L328-W332 VanDerWaalsContact CG-CZ2 3.4Å |
| 329 | F | 89.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -32.6 | 177.3 | -61.8 | -47.1 | 0 | 0 | 0 | 112.6 | F297 A298 V301 L325 F326 S331 W332 S333 A361 M362 V365 | F297-F329 AromaticContact CD1-CE1 3.82Å; F297-F329 HydrophobicContact CD1-CE1 3.82Å; F297-F329 HydrophobicContact CD1-CZ 4.09Å; F297-F329 HydrophobicContact CE1-CE1 4.07Å; F297-F329 AromaticContact CE1-CZ 3.99Å; F297-F329 HydrophobicContact CE1-CZ 3.99Å; A298-F329 HydrophobicContact CB-CD1 4.18Å; A298-F329 HydrophobicContact CB-CE1 3.9Å; V301-F329 HydrophobicContact CB-CE2 4.33Å; V301-F329 HydrophobicContact CB-CZ 3.93Å; V301-F329 HydrophobicContact CG1-CE2 3.98Å; V301-F329 HydrophobicContact CG1-CZ 4.08Å; V301-F329 HydrophobicContact CG2-CZ 4.05Å; L325-F329 HydrophobicContact CB-CD2 4.37Å; L325-F329 HydrophobicContact CB-CE2 3.99Å; L325-F329 HydrophobicContact CD2-CE2 4.26Å; L325-F329 HydrophobicContact CD2-CZ 4.24Å; L325-F329 WeakPolarHBondContact O-CD2 3.46Å; L325-F329 VanDerWaalsContact O-CG 3.31Å; L325-F329 WeakPolarHBondContact O-CG 3.33Å; L325-F329 PolarHBondContact O-N 2.98Å; F326-F329 PolarHBondContact O-N 2.99Å; F329-S331 VanDerWaalsContact C-N 3.26Å; F329-S331 PolarHBondContact O-N 3.14Å; F329-W332 AromaticContact CD1-CE3 3.68Å; F329-W332 HydrophobicContact CD1-CE3 3.68Å; F329-W332 HydrophobicContact CD1-CH2 4.3Å; F329-W332 AromaticContact CD1-CZ3 3.54Å; F329-W332 HydrophobicContact CD1-CZ3 3.54Å; F329-W332 HydrophobicContact CE1-CE3 4.15Å; F329-W332 HydrophobicContact CE1-CH2 4.2Å; F329-W332 AromaticContact CE1-CZ3 3.54Å; F329-W332 HydrophobicContact CE1-CZ3 3.54Å; F329-W332 CarbonylContact O-C 3.6Å; F329-W332 PolarHBondContact O-N 2.99Å; F329-S333 PolarHBondContact O-N 3.23Å; F329-S333 VanDerWaalsContact O-N 3.09Å; F329-A361 HydrophobicContact CD1-CB 4.14Å; F329-A361 HydrophobicContact CD2-CB 3.72Å; F329-A361 HydrophobicContact CE1-CB 4.16Å; F329-A361 HydrophobicContact CE2-CB 3.76Å; F329-A361 HydrophobicContact CG-CB 3.94Å; F329-A361 HydrophobicContact CZ-CB 3.98Å; F329-M362 HydrophobicContact CB-CG 3.45Å; F329-M362 VanDerWaalsContact CB-CG 3.45Å; F329-M362 HydrophobicContact CB-SD 4.44Å; F329-V365 HydrophobicContact CD2-CG2 4.26Å; F329-V365 HydrophobicContact CE2-CG2 3.93Å |
| 330 | A | 85.7 | Confident | 80.8 | Confident | 8 Ų | 8 | 39 Ų | 39 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.9 | -43.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F326 Y327 L328 W332 S333 G337 L340 M362 | F326-A330 WeakPolarHBondContact O-CB 3.47Å; F326-A330 PolarHBondContact O-N 3.08Å; Y327-A330 WeakPolarHBondContact O-CB 3.47Å; Y327-A330 PolarHBondContact O-N 3.16Å; L328-A330 VanDerWaalsContact C-N 3.33Å; L328-A330 PolarHBondContact O-N 2.91Å; A330-W332 PolarHBondContact O-N 2.7Å; A330-W332 VanDerWaalsContact O-N 3.12Å; A330-S333 WeakPolarHBondContact CA-OG 3.47Å; A330-S333 PolarHBondContact O-N 3.45Å; A330-S333 VanDerWaalsContact O-N 3.14Å; A330-S333 PolarHBondContact O-OG 3.15Å; A330-G337 WeakPolarHBondContact O-CA 3.49Å; A330-L340 HydrophobicContact CB-CD1 3.93Å; A330-M362 VanDerWaalsContact CA-SD 3.59Å; A330-M362 HydrophobicContact CB-CE 3.71Å; A330-M362 HydrophobicContact CB-SD 4.23Å |
| 331 | S | 82.7 | Confident | 79.4 | Confident | 73 Ų | 73 | 37 Ų | 37 | 51% | 0.51 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.2 | -19.8 | 176.6 | 80.3 | 0 | 0 | 0 | 0 | 114.2 | Y327 L328 F329 | Y327-S331 PolarHBondContact O-N 2.94Å; Y327-S331 VanDerWaalsContact O-N 3.09Å; L328-S331 WeakPolarHBondContact O-CB 3.46Å; L328-S331 PolarHBondContact O-N 2.83Å; L328-S331 PolarHBondContact O-OG 2.73Å; F329-S331 VanDerWaalsContact C-N 3.26Å; F329-S331 PolarHBondContact O-N 3.14Å |
| 332 | W | 83.8 | Confident | 77.7 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 10% | 0.095 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -102.9 | -4.1 | 179.3 | -53.7 | -13.4 | 0 | 0 | 0 | 114 | L279 H294 F297 L328 F329 A330 G334 E355 A358 | L279-W332 HydrophobicContact CB-CH2 4.24Å; L279-W332 HydrophobicContact CB-CZ2 3.87Å; L279-W332 HydrophobicContact CD1-CH2 3.5Å; L279-W332 VanDerWaalsContact CD1-CH2 3.5Å; L279-W332 HydrophobicContact CD1-CZ2 3.98Å; L279-W332 HydrophobicContact CG-CH2 4.37Å; L279-W332 HydrophobicContact CG-CZ2 4.38Å; H294-W332 HydrophobicContact CB-CD2 4.14Å; H294-W332 HydrophobicContact CB-CE3 3.92Å; H294-W332 HydrophobicContact CB-CZ3 4.15Å; H294-W332 AromaticContact CD2-CE2 3.91Å; H294-W332 AromaticContact CD2-CZ2 3.78Å; H294-W332 AromaticContact CE1-NE1 3.73Å; H294-W332 AromaticContact CG-CD2 3.98Å; H294-W332 AromaticContact CG-CE2 3.91Å; H294-W332 AromaticContact ND1-CE2 3.97Å; H294-W332 AromaticContact ND1-NE1 3.9Å; F297-W332 AromaticContact CD1-CH2 3.83Å; F297-W332 HydrophobicContact CD1-CH2 3.83Å; F297-W332 HydrophobicContact CD1-CZ3 4.04Å; F297-W332 HydrophobicContact CE1-CH2 4.47Å; L328-W332 HydrophobicContact CD1-CH2 4.28Å; L328-W332 HydrophobicContact CD1-CZ2 3.41Å; L328-W332 VanDerWaalsContact CD1-CZ2 3.41Å; L328-W332 HydrophobicContact CD2-CH2 3.77Å; L328-W332 HydrophobicContact CD2-CZ2 3.73Å; L328-W332 HydrophobicContact CG-CH2 3.78Å; L328-W332 HydrophobicContact CG-CZ2 3.4Å; L328-W332 VanDerWaalsContact CG-CZ2 3.4Å; F329-W332 AromaticContact CD1-CE3 3.68Å; F329-W332 HydrophobicContact CD1-CE3 3.68Å; F329-W332 HydrophobicContact CD1-CH2 4.3Å; F329-W332 AromaticContact CD1-CZ3 3.54Å; F329-W332 HydrophobicContact CD1-CZ3 3.54Å; F329-W332 HydrophobicContact CE1-CE3 4.15Å; F329-W332 HydrophobicContact CE1-CH2 4.2Å; F329-W332 AromaticContact CE1-CZ3 3.54Å; F329-W332 HydrophobicContact CE1-CZ3 3.54Å; F329-W332 CarbonylContact O-C 3.6Å; F329-W332 PolarHBondContact O-N 2.99Å; A330-W332 PolarHBondContact O-N 2.7Å; A330-W332 VanDerWaalsContact O-N 3.12Å; W332-G334 VanDerWaalsContact C-N 3.31Å; W332-G334 PolarHBondContact O-N 2.91Å; W332-E355 WeakPolarHBondContact O-CA 3.31Å; W332-E355 WeakPolarHBondContact O-CG 3.4Å; W332-A358 HydrophobicContact CB-CB 3.79Å |
| 333 | S | 80.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -89.2 | 10.1 | -172.4 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | F329 A330 R335 L336 G337 | F329-S333 PolarHBondContact O-N 3.23Å; F329-S333 VanDerWaalsContact O-N 3.09Å; A330-S333 WeakPolarHBondContact CA-OG 3.47Å; A330-S333 PolarHBondContact O-N 3.45Å; A330-S333 VanDerWaalsContact O-N 3.14Å; A330-S333 PolarHBondContact O-OG 3.15Å; S333-R335 PolarHBondContact O-N 2.85Å; S333-L336 PolarHBondContact O-N 3.02Å; S333-G337 WeakPolarHBondContact OG-CA 3.48Å; S333-G337 PolarHBondContact OG-N 3.32Å |
| 334 | G | 75.5 | Confident | 73.6 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -132.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W332 L336 G337 L338 | W332-G334 VanDerWaalsContact C-N 3.31Å; W332-G334 PolarHBondContact O-N 2.91Å; G334-L336 VanDerWaalsContact C-N 3.28Å; G334-L336 PolarHBondContact O-N 3.29Å; G334-G337 PolarHBondContact O-N 3.4Å; G334-L338 PolarHBondContact O-N 3.25Å |
| 335 | R | 71.8 | Confident | 71.2 | Confident | 170 Ų | 170 | 61.8 Ų | 61.8 | 64% | 0.642 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.6 | -38.6 | -178.1 | -176 | 179.7 | 178.4 | -178.8 | 1 | 113.7 | S333 G337 L338 | S333-R335 PolarHBondContact O-N 2.85Å; R335-G337 PolarHBondContact O-N 2.97Å; R335-L338 WeakPolarHBondContact O-CB 3.15Å; R335-L338 PolarHBondContact O-N 3.21Å |
| 336 | L | 69.4 | Low | 69.2 | Low | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.2 | -28.5 | 179.9 | -72.4 | 172.3 | 0 | 0 | 0 | 111.4 | S333 G334 L351 V359 A390 I399 | S333-L336 PolarHBondContact O-N 3.02Å; G334-L336 VanDerWaalsContact C-N 3.28Å; G334-L336 PolarHBondContact O-N 3.29Å; L336-L351 HydrophobicContact CD1-CD1 3.68Å; L336-V359 HydrophobicContact CB-CG2 4.11Å; L336-V359 HydrophobicContact CD1-CB 4.46Å; L336-V359 HydrophobicContact CD1-CG1 4.02Å; L336-V359 HydrophobicContact CD1-CG2 3.63Å; L336-A390 HydrophobicContact CD2-CB 3.68Å; L336-A390 WeakPolarHBondContact CD2-O 3.36Å; L336-I399 HydrophobicContact CD1-CD1 4.41Å |
| 337 | G | 66.6 | Low | 67 | Low | 5 Ų | 5 | 79.9 Ų | 79.9 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -75.2 | -25.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A330 S333 G334 R335 V339 L340 D341 | A330-G337 WeakPolarHBondContact O-CA 3.49Å; S333-G337 WeakPolarHBondContact OG-CA 3.48Å; S333-G337 PolarHBondContact OG-N 3.32Å; G334-G337 PolarHBondContact O-N 3.4Å; R335-G337 PolarHBondContact O-N 2.97Å; G337-V339 PolarHBondContact O-N 2.93Å; G337-L340 WeakPolarHBondContact O-CB 3.47Å; G337-L340 PolarHBondContact O-N 3.47Å; G337-D341 PolarHBondContact O-N 2.94Å |
| 338 | L | 58.7 | Low | 65.4 | Low | 37 Ų | 37 | 83.4 Ų | 83.4 | 19% | 0.194 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.4 | -23.8 | -175.8 | -62 | 177 | 0 | 0 | 0 | 114.2 | G334 R335 L340 D341 H344 | G334-L338 PolarHBondContact O-N 3.25Å; R335-L338 WeakPolarHBondContact O-CB 3.15Å; R335-L338 PolarHBondContact O-N 3.21Å; L338-L340 PolarHBondContact O-N 2.73Å; L338-D341 WeakPolarHBondContact CA-O 3.35Å; L338-D341 CarbonylContact O-C 3.47Å; L338-D341 PolarHBondContact O-N 3.19Å; L338-H344 WeakPolarHBondContact CD1-O 3.09Å; L338-H344 HydrophobicContact CD2-CB 3.58Å; L338-H344 WeakPolarHBondContact CD2-O 3.32Å |
| 339 | V | 63.6 | Low | 63.8 | Low | 70 Ų | 70 | 89.9 Ų | 89.9 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.5 | 174.7 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | G337 G386 A390 | G337-V339 PolarHBondContact O-N 2.93Å; V339-G386 VanDerWaalsContact CG1-C 3.43Å; V339-A390 HydrophobicContact CG2-CB 4.08Å |
| 340 | L | 63.8 | Low | 62.4 | Low | 35 Ų | 35 | 98.2 Ų | 98.2 | 18% | 0.183 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -30.4 | 179.2 | -60.4 | 168.5 | 0 | 0 | 0 | 113.2 | F326 A330 G337 L338 M362 Y383 W387 | F326-L340 HydrophobicContact CE1-CD1 3.53Å; F326-L340 HydrophobicContact CZ-CD1 3.84Å; A330-L340 HydrophobicContact CB-CD1 3.93Å; G337-L340 WeakPolarHBondContact O-CB 3.47Å; G337-L340 PolarHBondContact O-N 3.47Å; L338-L340 PolarHBondContact O-N 2.73Å; L340-M362 HydrophobicContact CD1-CE 3.69Å; L340-Y383 HydrophobicContact CD2-CD2 3.52Å; L340-Y383 HydrophobicContact CD2-CE2 4.12Å; L340-W387 HydrophobicContact CD1-CG 4.19Å; L340-W387 HydrophobicContact CD2-CB 4.19Å; L340-W387 HydrophobicContact CG-CB 4.28Å; L340-W387 HydrophobicContact CG-CG 4.43Å |
| 341 | D | 56.5 | Low | 61.5 | Low | 78 Ų | 78 | 100.4 Ų | 100.4 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | trans | -142.3 | 114.6 | 177.4 | -166 | 2.2 | 0 | 0 | 0 | 111.8 | G337 L338 R343 | G337-D341 PolarHBondContact O-N 2.94Å; L338-D341 WeakPolarHBondContact CA-O 3.35Å; L338-D341 CarbonylContact O-C 3.47Å; L338-D341 PolarHBondContact O-N 3.19Å; D341-R343 PolarHBondContact O-N 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3.43Å; D341-R343 IonicContact OD1-NE 3.14Å; D341-R343 PolarHBondContact OD1-NE 3.38Å; D341-R343 IonicContact OD2-NE 3.5Å | ||
| 342 | K | 54.3 | Low | 61 | Low | 190 Ų | 190 | 101.6 Ų | 101.6 | 83% | 0.826 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 4.3 | -170.8 | -66.3 | -175.6 | 177.6 | -179.5 | 0 | 115.2 | H344 | K342-H344 PolarHBondContact O-N 2.75Š|
| 343 | R | 47.3 | Very low | 60.4 | Low | 194 Ų | 194 | 102.5 Ų | 102.5 | 73% | 0.732 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8.9 | -165 | -66.6 | 179.2 | -148.4 | -159.9 | -0.2 | 116.5 | D341 | D341-R343 PolarHBondContact O-N 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3.43Å; D341-R343 IonicContact OD1-NE 3.14Å; D341-R343 PolarHBondContact OD1-NE 3.38Å; D341-R343 IonicContact OD2-NE 3.5Å |
| 344 | H | 47.1 | Very low | 60.1 | Low | 132 Ų | 132 | 104.7 Ų | 104.7 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | trans | -136.1 | 63.2 | -168.5 | -68.9 | -52.7 | 0 | 0 | 0 | 116.3 | L338 K342 R346 | L338-H344 WeakPolarHBondContact CD1-O 3.09Å; L338-H344 HydrophobicContact CD2-CB 3.58Å; L338-H344 WeakPolarHBondContact CD2-O 3.32Å; K342-H344 PolarHBondContact O-N 2.75Å; H344-R346 PolarHBondContact O-N 3.5Å | ||
| 345 | L | 41.1 | Very low | 60.3 | Low | 148 Ų | 148 | 106.1 Ų | 106.1 | 78% | 0.775 | 50% | 0.497 | S | S | * | . | trans | -60.7 | 110 | 168.5 | -81.3 | 94.7 | 0 | 0 | 0 | 111.6 | ||||
| 346 | R | 50 | Low | 60.8 | Low | 215 Ų | 215 | 98.8 Ų | 98.8 | 81% | 0.811 | 47% | 0.472 | S | S | * | . | trans | -129.9 | 114.6 | 159.6 | -81.3 | -170 | -178.7 | -176.3 | 3.3 | 109.6 | H344 K348 | H344-R346 PolarHBondContact O-N 3.5Å; R346-K348 PolarHBondContact O-N 3.49Å | ||
| 347 | D | 44.1 | Very low | 61.5 | Low | 165 Ų | 165 | 100.2 Ų | 100.2 | 88% | 0.882 | 48% | 0.478 | S | S | * | . | trans | -76.5 | 80.8 | 178.3 | -79.1 | -30.7 | 0 | 0 | 0 | 111.9 | ||||
| 348 | K | 52.2 | Low | 62.5 | Low | 163 Ų | 163 | 100 Ų | 100 | 71% | 0.709 | 48% | 0.475 | S | S | * | . | trans | -129.4 | 125.8 | 161 | -71 | -169.7 | 176 | -175.8 | 0 | 109.6 | R346 F350 | R346-K348 PolarHBondContact O-N 3.49Å; K348-F350 PolarHBondContact O-N 2.87Å | ||
| 349 | D | 55.8 | Low | 64 | Low | 143 Ų | 143 | 98.2 Ų | 98.2 | 77% | 0.765 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -67.6 | -18.5 | -176.1 | -70.7 | -40.6 | 0 | 0 | 0 | 114.2 | ||
| 350 | F | 60.4 | Low | 65.1 | Low | 174 Ų | 174 | 96.3 Ų | 96.3 | 76% | 0.763 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -113 | 124.9 | -176 | -60.9 | -82.7 | 0 | 0 | 0 | 110.5 | K348 | K348-F350 PolarHBondContact O-N 2.87Š|
| 351 | L | 66.9 | Low | 66.4 | Low | 54 Ų | 54 | 94.6 Ų | 94.6 | 28% | 0.283 | 44% | 0.444 | S | S | . | . | trans | -67.5 | 129.8 | 171.8 | -66.8 | 162.4 | 0 | 0 | 0 | 109.3 | L336 E355 I399 | L336-L351 HydrophobicContact CD1-CD1 3.68Å; L351-E355 WeakPolarHBondContact CA-OE2 3.33Å; L351-E355 HydrophobicContact CB-CB 4.21Å; L351-E355 HydrophobicContact CD2-CB 3.82Å; L351-I399 HydrophobicContact CD1-CD1 3.23Å | ||
| 352 | N | 72.1 | Confident | 68 | Low | 98 Ų | 98 | 90.9 Ų | 90.9 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | trans | -67.4 | 160.5 | 169.1 | -69.6 | -24.4 | 0 | 0 | 0 | 110 | Q354 E355 S356 | N352-Q354 PolarHBondContact O-N 3.18Å; N352-E355 HydrophobicContact CB-CG 4.4Å; N352-E355 PolarHBondContact N-OE2 3.38Å; N352-E355 PolarHBondContact O-N 2.78Å; N352-S356 PolarHBondContact O-N 3.32Å | ||
| 353 | S | 70.1 | Confident | 69.7 | Low | 45 Ų | 45 | 81.9 Ų | 81.9 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -51 | -44.7 | 179.5 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | N29 E355 S356 F357 | N29-S353 VanDerWaalsContact O-CB 3.24Å; N29-S353 WeakPolarHBondContact O-CB 3.27Å; S353-E355 PolarHBondContact O-N 3.13Å; S353-S356 PolarHBondContact O-N 3.01Å; S353-F357 WeakPolarHBondContact O-CD2 3.42Å; S353-F357 PolarHBondContact O-N 3.03Å |
| 354 | Q | 74 | Confident | 71.8 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 176.1 | -177.8 | -177.2 | -20.8 | 0 | 0 | 112.6 | H294 N352 F357 A358 | H294-Q354 HydrophobicContact CB-CG 4.27Å; H294-Q354 VanDerWaalsContact CB-NE2 3.28Å; H294-Q354 PolarHBondContact ND1-NE2 2.86Å; N352-Q354 PolarHBondContact O-N 3.18Å; Q354-F357 PolarHBondContact O-N 2.99Å; Q354-A358 WeakPolarHBondContact O-CB 3.37Å; Q354-A358 PolarHBondContact O-N 3.44Å |
| 355 | E | 81.4 | Confident | 73.8 | Confident | 53 Ų | 53 | 67 Ų | 67 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | -179.7 | -61.1 | 170.1 | 156 | 0 | 0 | 110.6 | W332 L351 N352 S353 F357 A358 V359 | W332-E355 WeakPolarHBondContact O-CA 3.31Å; W332-E355 WeakPolarHBondContact O-CG 3.4Å; L351-E355 WeakPolarHBondContact CA-OE2 3.33Å; L351-E355 HydrophobicContact CB-CB 4.21Å; L351-E355 HydrophobicContact CD2-CB 3.82Å; N352-E355 HydrophobicContact CB-CG 4.4Å; N352-E355 PolarHBondContact N-OE2 3.38Å; N352-E355 PolarHBondContact O-N 2.78Å; S353-E355 PolarHBondContact O-N 3.13Å; E355-F357 PolarHBondContact O-N 3.37Å; E355-A358 WeakPolarHBondContact O-CB 3.37Å; E355-A358 PolarHBondContact O-N 3.5Å; E355-V359 VanDerWaalsContact O-CG2 3.28Å; E355-V359 WeakPolarHBondContact O-CG2 3.48Å; E355-V359 PolarHBondContact O-N 3.1Å |
| 356 | S | 81.9 | Confident | 76.1 | Confident | 16 Ų | 16 | 60 Ų | 60 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | N352 S353 V359 M360 | N352-S356 PolarHBondContact O-N 3.32Å; S353-S356 PolarHBondContact O-N 3.01Å; S356-V359 PolarHBondContact O-N 3.31Å; S356-M360 WeakPolarHBondContact O-CG 3.38Å; S356-M360 PolarHBondContact O-N 3.1Å |
| 357 | F | 84.2 | Confident | 77.9 | Confident | 43 Ų | 43 | 50 Ų | 50 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.9 | -31.6 | 174.8 | -76.3 | -69.3 | 0 | 0 | 0 | 113.3 | N29 L295 K299 S353 Q354 E355 M360 A361 | N29-F357 WeakPolarHBondContact O-CE2 3.2Å; L295-F357 HydrophobicContact CD1-CB 4.17Å; L295-F357 HydrophobicContact CD1-CD2 3.53Å; L295-F357 HydrophobicContact CD1-CE2 4.33Å; L295-F357 HydrophobicContact CD1-CG 4.15Å; K299-F357 HydrophobicContact CD-CD1 4.4Å; K299-F357 HydrophobicContact CD-CE1 4.43Å; K299-F357 HydrophobicContact CD-CG 4.49Å; K299-F357 HydrophobicContact CG-CB 4.25Å; K299-F357 HydrophobicContact CG-CD1 3.65Å; K299-F357 HydrophobicContact CG-CD2 4.35Å; K299-F357 HydrophobicContact CG-CE1 4.08Å; K299-F357 HydrophobicContact CG-CG 3.83Å; S353-F357 WeakPolarHBondContact O-CD2 3.42Å; S353-F357 PolarHBondContact O-N 3.03Å; Q354-F357 PolarHBondContact O-N 2.99Å; E355-F357 PolarHBondContact O-N 3.37Å; F357-M360 HydrophobicContact CB-CE 4.47Å; F357-M360 HydrophobicContact CD1-CE 3.29Å; F357-M360 HydrophobicContact CD1-SD 4.21Å; F357-M360 HydrophobicContact CD2-CE 4.43Å; F357-M360 HydrophobicContact CE1-CE 3.42Å; F357-M360 VanDerWaalsContact CE1-CE 3.42Å; F357-M360 HydrophobicContact CE1-SD 4.29Å; F357-M360 HydrophobicContact CG-CE 3.83Å; F357-M360 HydrophobicContact CZ-CE 4.05Å; F357-M360 PolarHBondContact O-N 2.99Å; F357-A361 WeakPolarHBondContact O-CB 3.09Å; F357-A361 PolarHBondContact O-N 3.49Å |
| 358 | A | 87.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | W332 Q354 E355 A361 M362 | W332-A358 HydrophobicContact CB-CB 3.79Å; Q354-A358 WeakPolarHBondContact O-CB 3.37Å; Q354-A358 PolarHBondContact O-N 3.44Å; E355-A358 WeakPolarHBondContact O-CB 3.37Å; E355-A358 PolarHBondContact O-N 3.5Å; A358-A361 WeakPolarHBondContact O-CB 3.23Å; A358-A361 PolarHBondContact O-N 2.96Å; A358-M362 WeakPolarHBondContact O-CG 3.47Å; A358-M362 PolarHBondContact O-N 3.32Å |
| 359 | V | 88.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | L336 E355 S356 A361 M362 C363 L391 I399 | L336-V359 HydrophobicContact CB-CG2 4.11Å; L336-V359 HydrophobicContact CD1-CB 4.46Å; L336-V359 HydrophobicContact CD1-CG1 4.02Å; L336-V359 HydrophobicContact CD1-CG2 3.63Å; E355-V359 VanDerWaalsContact O-CG2 3.28Å; E355-V359 WeakPolarHBondContact O-CG2 3.48Å; E355-V359 PolarHBondContact O-N 3.1Å; S356-V359 PolarHBondContact O-N 3.31Å; V359-A361 VanDerWaalsContact C-N 3.28Å; V359-A361 PolarHBondContact O-N 3.5Å; V359-M362 WeakPolarHBondContact O-CB 3.48Å; V359-M362 PolarHBondContact O-N 2.97Å; V359-M362 VanDerWaalsContact O-N 3.17Å; V359-C363 PolarHBondContact O-N 3.22Å; V359-C363 PolarHBondContact O-SG 3.35Å; V359-L391 HydrophobicContact CG1-CD1 3.5Å; V359-L391 VanDerWaalsContact CG1-CD1 3.5Å; V359-I399 HydrophobicContact CG1-CG2 4.36Å |
| 360 | M | 87.9 | Confident | 83 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 175.5 | -73 | -174 | -97.6 | 0 | 0 | 112.2 | S356 F357 C363 S364 V402 | S356-M360 WeakPolarHBondContact O-CG 3.38Å; S356-M360 PolarHBondContact O-N 3.1Å; F357-M360 HydrophobicContact CB-CE 4.47Å; F357-M360 HydrophobicContact CD1-CE 3.29Å; F357-M360 HydrophobicContact CD1-SD 4.21Å; F357-M360 HydrophobicContact CD2-CE 4.43Å; F357-M360 HydrophobicContact CE1-CE 3.42Å; F357-M360 VanDerWaalsContact CE1-CE 3.42Å; F357-M360 HydrophobicContact CE1-SD 4.29Å; F357-M360 HydrophobicContact CG-CE 3.83Å; F357-M360 HydrophobicContact CZ-CE 4.05Å; F357-M360 PolarHBondContact O-N 2.99Å; M360-C363 PolarHBondContact O-N 3.2Å; M360-S364 WeakPolarHBondContact O-CB 3.28Å; M360-S364 PolarHBondContact O-N 2.94Å; M360-S364 PolarHBondContact O-OG 3.01Å; M360-V402 HydrophobicContact CG-CG2 4.19Å; M360-V402 HydrophobicContact SD-CG2 4.42Å |
| 361 | A | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A298 F329 F357 A358 V359 S364 V365 | A298-A361 HydrophobicContact CB-CB 3.97Å; F329-A361 HydrophobicContact CD1-CB 4.14Å; F329-A361 HydrophobicContact CD2-CB 3.72Å; F329-A361 HydrophobicContact CE1-CB 4.16Å; F329-A361 HydrophobicContact CE2-CB 3.76Å; F329-A361 HydrophobicContact CG-CB 3.94Å; F329-A361 HydrophobicContact CZ-CB 3.98Å; F357-A361 WeakPolarHBondContact O-CB 3.09Å; F357-A361 PolarHBondContact O-N 3.49Å; A358-A361 WeakPolarHBondContact O-CB 3.23Å; A358-A361 PolarHBondContact O-N 2.96Å; V359-A361 VanDerWaalsContact C-N 3.28Å; V359-A361 PolarHBondContact O-N 3.5Å; A361-S364 PolarHBondContact O-N 2.96Å; A361-V365 WeakPolarHBondContact O-CB 3.48Å; A361-V365 VanDerWaalsContact O-CG2 3.25Å; A361-V365 WeakPolarHBondContact O-CG2 3.14Å; A361-V365 PolarHBondContact O-N 3.26Å |
| 362 | M | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | 172.2 | -67.2 | 171.8 | 71.5 | 0 | 0 | 111.5 | F326 F329 A330 L340 A358 V359 S364 V365 L366 W387 | F326-M362 HydrophobicContact CD2-CB 4.07Å; F326-M362 HydrophobicContact CD2-CE 4.41Å; F326-M362 HydrophobicContact CD2-CG 4.43Å; F326-M362 HydrophobicContact CE1-CE 4.19Å; F326-M362 HydrophobicContact CE2-CB 3.96Å; F326-M362 HydrophobicContact CE2-CE 3.83Å; F326-M362 HydrophobicContact CE2-CG 4.49Å; F326-M362 HydrophobicContact CZ-CE 3.71Å; F329-M362 HydrophobicContact CB-CG 3.45Å; F329-M362 VanDerWaalsContact CB-CG 3.45Å; F329-M362 HydrophobicContact CB-SD 4.44Å; A330-M362 VanDerWaalsContact CA-SD 3.59Å; A330-M362 HydrophobicContact CB-CE 3.71Å; A330-M362 HydrophobicContact CB-SD 4.23Å; L340-M362 HydrophobicContact CD1-CE 3.69Å; A358-M362 WeakPolarHBondContact O-CG 3.47Å; A358-M362 PolarHBondContact O-N 3.32Å; V359-M362 WeakPolarHBondContact O-CB 3.48Å; V359-M362 PolarHBondContact O-N 2.97Å; V359-M362 VanDerWaalsContact O-N 3.17Å; M362-S364 VanDerWaalsContact C-N 3.32Å; M362-S364 PolarHBondContact O-N 3.3Å; M362-V365 PolarHBondContact O-N 3.4Å; M362-L366 WeakPolarHBondContact O-CB 3.22Å; M362-L366 PolarHBondContact O-N 3.42Å; M362-W387 HydrophobicContact CB-CH2 4.41Å; M362-W387 HydrophobicContact CB-CZ2 3.95Å; M362-W387 HydrophobicContact CE-CZ2 3.85Å; M362-W387 HydrophobicContact SD-CZ2 4.39Å |
| 363 | C | 90.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 178.4 | -64 | 0 | 0 | 0 | 0 | 111.6 | V359 M360 L366 T367 V402 T406 | V359-C363 PolarHBondContact O-N 3.22Å; V359-C363 PolarHBondContact O-SG 3.35Å; M360-C363 PolarHBondContact O-N 3.2Å; C363-L366 PolarHBondContact O-N 3.33Å; C363-T367 WeakPolarHBondContact O-CB 3.38Å; C363-T367 WeakPolarHBondContact O-CG2 3.45Å; C363-T367 PolarHBondContact O-N 2.95Å; C363-T367 PolarHBondContact O-OG1 2.67Å; C363-V402 HydrophobicContact CB-CG1 3.71Å; C363-T406 HydrophobicContact CB-CG2 4.36Å; C363-T406 WeakPolarHBondContact CB-OG1 3.44Å |
| 364 | S | 89.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 21.5 Ų | 21.5 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 178.9 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | S302 M360 A361 M362 T367 C368 | S302-S364 PolarHBondContact OG-OG 3.1Å; M360-S364 WeakPolarHBondContact O-CB 3.28Å; M360-S364 PolarHBondContact O-N 2.94Å; M360-S364 PolarHBondContact O-OG 3.01Å; A361-S364 PolarHBondContact O-N 2.96Å; M362-S364 VanDerWaalsContact C-N 3.32Å; M362-S364 PolarHBondContact O-N 3.3Å; S364-T367 PolarHBondContact O-OG1 3.38Å; S364-C368 PolarHBondContact O-N 3.42Å |
| 365 | V | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 177.7 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | V301 I305 R322 L325 F326 F329 A361 M362 T367 C368 | V301-V365 HydrophobicContact CG1-CG2 3.99Å; I305-V365 HydrophobicContact CD1-CG2 3.89Å; R322-V365 HydrophobicContact CB-CG1 3.95Å; R322-V365 HydrophobicContact CG-CG1 4.4Å; R322-V365 VanDerWaalsContact O-CG1 3.26Å; R322-V365 WeakPolarHBondContact O-CG1 3.35Å; L325-V365 HydrophobicContact CB-CG1 4.4Å; L325-V365 HydrophobicContact CB-CG2 4.32Å; F326-V365 HydrophobicContact CB-CG1 4.23Å; F329-V365 HydrophobicContact CD2-CG2 4.26Å; F329-V365 HydrophobicContact CE2-CG2 3.93Å; A361-V365 WeakPolarHBondContact O-CB 3.48Å; A361-V365 VanDerWaalsContact O-CG2 3.25Å; A361-V365 WeakPolarHBondContact O-CG2 3.14Å; A361-V365 PolarHBondContact O-N 3.26Å; M362-V365 PolarHBondContact O-N 3.4Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-C368 VanDerWaalsContact O-CB 3.31Å; V365-C368 WeakPolarHBondContact O-CB 2.95Å; V365-C368 PolarHBondContact O-N 3.42Å |
| 366 | L | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.7 | -36.8 | 178.6 | -171.3 | 67.5 | 0 | 0 | 0 | 111.9 | F326 M362 C363 C368 V371 F372 I384 W387 L410 | F326-L366 HydrophobicContact CD2-CB 4.4Å; F326-L366 HydrophobicContact CE2-CB 4.25Å; F326-L366 HydrophobicContact CE2-CD1 4.39Å; F326-L366 HydrophobicContact CE2-CD2 4.45Å; M362-L366 WeakPolarHBondContact O-CB 3.22Å; M362-L366 PolarHBondContact O-N 3.42Å; C363-L366 PolarHBondContact O-N 3.33Å; L366-C368 VanDerWaalsContact C-N 3.3Å; L366-C368 PolarHBondContact O-N 3.39Å; L366-V371 HydrophobicContact CD1-CG1 3.91Å; L366-V371 HydrophobicContact CD1-CG2 4.07Å; L366-V371 HydrophobicContact CG-CG2 4.5Å; L366-F372 HydrophobicContact CD1-CD1 4.47Å; L366-F372 HydrophobicContact CD1-CE1 3.81Å; L366-F372 HydrophobicContact CD1-CZ 4.37Å; L366-I384 HydrophobicContact CD1-CD1 4.04Å; L366-I384 HydrophobicContact CD2-CG2 4.47Å; L366-W387 HydrophobicContact CD2-CE3 4.43Å; L366-W387 HydrophobicContact CD2-CH2 4.32Å; L366-W387 HydrophobicContact CD2-CZ3 3.62Å; L366-L410 HydrophobicContact CD2-CD1 4.04Å; L366-L410 HydrophobicContact CD2-CD2 4.08Å; L366-L410 HydrophobicContact CD2-CG 4.49Å; L366-L410 HydrophobicContact CG-CD2 3.96Å |
| 367 | T | 87.2 | Confident | 86.7 | Confident | 6 Ų | 6 | 22.1 Ų | 22.1 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 16.2 | 177.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | C363 S364 V365 G369 T406 L409 L410 F413 | C363-T367 WeakPolarHBondContact O-CB 3.38Å; C363-T367 WeakPolarHBondContact O-CG2 3.45Å; C363-T367 PolarHBondContact O-N 2.95Å; C363-T367 PolarHBondContact O-OG1 2.67Å; S364-T367 PolarHBondContact O-OG1 3.38Å; V365-T367 VanDerWaalsContact C-N 3.33Å; T367-G369 PolarHBondContact O-N 3.3Å; T367-G369 VanDerWaalsContact O-N 3.1Å; T367-T406 HydrophobicContact CG2-CG2 3.89Å; T367-L409 HydrophobicContact CG2-CB 3.67Å; T367-L409 HydrophobicContact CG2-CD1 4.08Å; T367-L410 HydrophobicContact CG2-CG 4.5Å; T367-F413 WeakPolarHBondContact O-CE2 3.3Å |
| 368 | C | 86.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -86.6 | 56.5 | 175.4 | -169 | 0 | 0 | 0 | 0 | 110.4 | I305 R313 M317 R322 S364 V365 L366 | I305-C368 HydrophobicContact CD1-CB 4.37Å; I305-C368 HydrophobicContact CG2-CB 4.04Å; R313-C368 CarbonylContact O-C 3.44Å; R313-C368 PolarHBondContact O-SG 3.09Å; M317-C368 HydrophobicContact CE-CB 4.3Å; R322-C368 PolarHBondContact NH1-O 2.72Å; S364-C368 PolarHBondContact O-N 3.42Å; V365-C368 VanDerWaalsContact O-CB 3.31Å; V365-C368 WeakPolarHBondContact O-CB 2.95Å; V365-C368 PolarHBondContact O-N 3.42Å; L366-C368 VanDerWaalsContact C-N 3.3Å; L366-C368 PolarHBondContact O-N 3.39Å |
| 369 | G | 85.8 | Confident | 86 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 92.9 | -159.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T367 | T367-G369 PolarHBondContact O-N 3.3Å; T367-G369 VanDerWaalsContact O-N 3.1Å |
| 370 | H | 86.2 | Confident | 85.3 | Confident | 103 Ų | 103 | 33.9 Ų | 33.9 | 48% | 0.477 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -54 | 144.6 | 176.4 | -68.4 | -79.2 | 0 | 0 | 0 | 111.5 | R322 F372 F413 | R322-H370 VanDerWaalsContact CZ-O 3.23Å; R322-H370 PolarHBondContact NH1-O 3.46Å; R322-H370 PolarHBondContact NH2-O 3.33Å; H370-F372 PolarHBondContact O-N 2.91Å; H370-F413 PolarHBondContact CE1-O 2.83Å; H370-F413 PolarHBondContact ND1-O 2.92Å |
| 371 | V | 86.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | trans | -60.6 | 134.6 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 110 | L366 D373 I377 I384 L410 N414 | L366-V371 HydrophobicContact CD1-CG1 3.91Å; L366-V371 HydrophobicContact CD1-CG2 4.07Å; L366-V371 HydrophobicContact CG-CG2 4.5Å; V371-D373 WeakPolarHBondContact CG1-O 3.24Å; V371-D373 PolarHBondContact O-N 2.86Å; V371-D373 VanDerWaalsContact O-N 3.16Å; V371-I377 HydrophobicContact CB-CD1 3.86Å; V371-I377 HydrophobicContact CG1-CD1 3.82Å; V371-I377 HydrophobicContact CG1-CG1 4.32Å; V371-I377 HydrophobicContact CG2-CD1 3.28Å; V371-I384 HydrophobicContact CG1-CD1 4.03Å; V371-L410 HydrophobicContact CG2-CD2 3.48Å; V371-L410 VanDerWaalsContact CG2-CD2 3.48Å; V371-N414 WeakPolarHBondContact CG2-ND2 3.41Å; V371-N414 PolarHBondContact N-OD1 3.45Å | ||
| 372 | F | 86.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -64.5 | -19.8 | -173 | 53 | -101 | 0 | 0 | 0 | 113.3 | N319 R322 K323 F326 L366 H370 | N319-F372 HydrophobicContact CB-CB 4.21Å; R322-F372 HydrophobicContact CB-CB 4.25Å; R322-F372 HydrophobicContact CB-CD1 4.13Å; R322-F372 HydrophobicContact CB-CG 4.48Å; K323-F372 HydrophobicContact CB-CD2 3.65Å; K323-F372 HydrophobicContact CB-CE2 4.05Å; K323-F372 HydrophobicContact CB-CG 4.1Å; K323-F372 HydrophobicContact CD-CD2 4.26Å; K323-F372 HydrophobicContact CG-CD2 3.86Å; K323-F372 HydrophobicContact CG-CE2 3.9Å; F326-F372 HydrophobicContact CB-CE1 3.8Å; F326-F372 HydrophobicContact CB-CZ 3.85Å; F326-F372 HydrophobicContact CD1-CE1 4.3Å; F326-F372 AromaticContact CD1-CZ 3.69Å; F326-F372 HydrophobicContact CD1-CZ 3.69Å; F326-F372 HydrophobicContact CD2-CE1 4.13Å; F326-F372 HydrophobicContact CD2-CZ 4.3Å; F326-F372 HydrophobicContact CE1-CZ 4.29Å; F326-F372 AromaticContact CG-CE1 3.83Å; F326-F372 HydrophobicContact CG-CE1 3.83Å; F326-F372 AromaticContact CG-CZ 3.69Å; F326-F372 HydrophobicContact CG-CZ 3.69Å; L366-F372 HydrophobicContact CD1-CD1 4.47Å; L366-F372 HydrophobicContact CD1-CE1 3.81Å; L366-F372 HydrophobicContact CD1-CZ 4.37Å; H370-F372 PolarHBondContact O-N 2.91Å |
| 373 | D | 84.5 | Confident | 83.6 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | trans | -130.7 | 96.8 | 175.3 | -164.6 | -20.3 | 0 | 0 | 0 | 109.3 | K323 V371 H375 A376 | K323-D373 IonicContact NZ-OD2 3.06Å; V371-D373 WeakPolarHBondContact CG1-O 3.24Å; V371-D373 PolarHBondContact O-N 2.86Å; V371-D373 VanDerWaalsContact O-N 3.16Å; D373-H375 VanDerWaalsContact C-N 3.27Å; D373-H375 PolarHBondContact O-N 3.07Å; D373-H375 PolarHBondContact OD1-N 3.4Å; D373-A376 HydrophobicContact CB-CB 4.15Å; D373-A376 WeakPolarHBondContact O-CB 3.35Å; D373-A376 PolarHBondContact O-N 3.2Å; D373-A376 VanDerWaalsContact O-N 3.16Å | ||
| 374 | P | 80.7 | Confident | 83.3 | Confident | 88 Ų | 88 | 43.9 Ų | 43.9 | 57% | 0.571 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -35.7 | -177.2 | -25.1 | 34.4 | 0 | 0 | 0 | 113.3 | A376 I377 S378 | P374-A376 PolarHBondContact O-N 3.46Å; P374-A376 VanDerWaalsContact O-N 3.15Å; P374-I377 PolarHBondContact O-N 2.85Å; P374-I377 VanDerWaalsContact O-N 3.14Å; P374-S378 WeakPolarHBondContact O-CB 3Å; P374-S378 PolarHBondContact O-N 3.03Å; P374-S378 PolarHBondContact O-OG 2.93Å |
| 375 | H | 82.7 | Confident | 83.2 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 57% | 0.574 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.2 | -26.3 | 178.9 | -66.6 | -63.1 | 0 | 0 | 0 | 112.8 | D373 I377 S378 D379 | D373-H375 VanDerWaalsContact C-N 3.27Å; D373-H375 PolarHBondContact O-N 3.07Å; D373-H375 PolarHBondContact OD1-N 3.4Å; H375-I377 PolarHBondContact O-N 3.19Å; H375-S378 WeakPolarHBondContact CA-OG 3.44Å; H375-D379 IonicContact ND1-OD1 3.92Å; H375-D379 WeakPolarHBondContact O-CB 3.17Å; H375-D379 PolarHBondContact O-N 3.06Å |
| 376 | A | 80.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -17.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D373 P374 G382 Y383 I384 | D373-A376 HydrophobicContact CB-CB 4.15Å; D373-A376 WeakPolarHBondContact O-CB 3.35Å; D373-A376 PolarHBondContact O-N 3.2Å; D373-A376 VanDerWaalsContact O-N 3.16Å; P374-A376 PolarHBondContact O-N 3.46Å; P374-A376 VanDerWaalsContact O-N 3.15Å; A376-G382 CarbonylContact O-C 3.51Å; A376-G382 WeakPolarHBondContact O-CA 3.49Å; A376-Y383 HydrophobicContact CB-CD1 3.96Å; A376-Y383 HydrophobicContact CB-CE1 3.28Å; A376-Y383 HydrophobicContact CB-CE2 4.15Å; A376-Y383 WeakPolarHBondContact CB-OH 3.44Å; A376-I384 HydrophobicContact CB-CD1 3.43Å; A376-I384 VanDerWaalsContact CB-CD1 3.43Å; A376-I384 HydrophobicContact CB-CG1 3.82Å |
| 377 | I | 82.8 | Confident | 82.6 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -124.2 | -27.4 | -179.1 | -56.6 | -177.2 | 0 | 0 | 0 | 111.3 | V371 P374 H375 I384 F385 L410 A417 L420 | V371-I377 HydrophobicContact CB-CD1 3.86Å; V371-I377 HydrophobicContact CG1-CD1 3.82Å; V371-I377 HydrophobicContact CG1-CG1 4.32Å; V371-I377 HydrophobicContact CG2-CD1 3.28Å; P374-I377 PolarHBondContact O-N 2.85Å; P374-I377 VanDerWaalsContact O-N 3.14Å; H375-I377 PolarHBondContact O-N 3.19Å; I377-I384 HydrophobicContact CD1-CD1 4.29Å; I377-I384 HydrophobicContact CG1-CB 4.37Å; I377-I384 HydrophobicContact CG1-CD1 3.99Å; I377-I384 HydrophobicContact CG1-CG2 4.35Å; I377-F385 HydrophobicContact CG2-CZ 4.15Å; I377-F385 WeakPolarHBondContact O-CE2 3.5Å; I377-F385 VanDerWaalsContact O-CZ 3.32Å; I377-F385 WeakPolarHBondContact O-CZ 3.29Å; I377-L410 HydrophobicContact CD1-CD2 4.12Å; I377-A417 HydrophobicContact CG2-CB 4.11Å; I377-L420 HydrophobicContact CG2-CB 3.6Å; I377-L420 HydrophobicContact CG2-CD1 4.1Å; I377-L420 HydrophobicContact CG2-CD2 4.06Å; I377-L420 HydrophobicContact CG2-CG 4.11Å |
| 378 | S | 77.5 | Confident | 82.6 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75.4 | -26.5 | 176.3 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | P374 H375 N419 | P374-S378 WeakPolarHBondContact O-CB 3Å; P374-S378 PolarHBondContact O-N 3.03Å; P374-S378 PolarHBondContact O-OG 2.93Å; H375-S378 WeakPolarHBondContact CA-OG 3.44Å; S378-N419 PolarHBondContact O-ND2 2.75Å |
| 379 | D | 79.7 | Confident | 82.5 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -87.2 | 136.6 | 179.8 | -64.8 | -0.2 | 0 | 0 | 0 | 109.7 | H375 N381 G382 F385 | H375-D379 IonicContact ND1-OD1 3.92Å; H375-D379 WeakPolarHBondContact O-CB 3.17Å; H375-D379 PolarHBondContact O-N 3.06Å; D379-N381 PolarHBondContact O-N 3.33Å; D379-N381 VanDerWaalsContact O-N 3.1Å; D379-G382 WeakPolarHBondContact O-CA 3.29Å; D379-G382 PolarHBondContact O-N 2.93Å; D379-F385 WeakPolarHBondContact O-CE2 3.34Å |
| 380 | E | 73.4 | Confident | 82.4 | Confident | 161 Ų | 161 | 50 Ų | 50 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -34.2 | -179.9 | -66.6 | 179.2 | 175.3 | 0 | 0 | 112.8 | G382 | E380-G382 VanDerWaalsContact C-N 3.33Š|
| 381 | N | 73.2 | Confident | 82.4 | Confident | 157 Ų | 157 | 45.1 Ų | 45.1 | 84% | 0.84 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 27.8 | 176.5 | -67.7 | -40.2 | 0 | 0 | 0 | 113 | D379 Y383 | D379-N381 PolarHBondContact O-N 3.33Å; D379-N381 VanDerWaalsContact O-N 3.1Å; N381-Y383 PolarHBondContact O-N 3.23Å |
| 382 | G | 79.3 | Confident | 82.3 | Confident | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | trans | -53.9 | 126.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A376 D379 E380 I384 F385 | A376-G382 CarbonylContact O-C 3.51Å; A376-G382 WeakPolarHBondContact O-CA 3.49Å; D379-G382 WeakPolarHBondContact O-CA 3.29Å; D379-G382 PolarHBondContact O-N 2.93Å; E380-G382 VanDerWaalsContact C-N 3.33Å; G382-I384 PolarHBondContact O-N 2.88Å; G382-F385 PolarHBondContact O-N 3.5Å | ||
| 383 | Y | 80.4 | Confident | 82.2 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -17.1 | -175.2 | 66.3 | -98.5 | 0 | 0 | 0 | 113.5 | Y327 L340 A376 N381 | Y327-Y383 PolarHBondContact OH-OH 3Å; L340-Y383 HydrophobicContact CD2-CD2 3.52Å; L340-Y383 HydrophobicContact CD2-CE2 4.12Å; A376-Y383 HydrophobicContact CB-CD1 3.96Å; A376-Y383 HydrophobicContact CB-CE1 3.28Å; A376-Y383 HydrophobicContact CB-CE2 4.15Å; A376-Y383 WeakPolarHBondContact CB-OH 3.44Å; N381-Y383 PolarHBondContact O-N 3.23Å |
| 384 | I | 85.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.3 | -29.6 | 176.7 | -69.1 | 177.6 | 0 | 0 | 0 | 111.5 | L366 V371 A376 I377 G382 G386 W387 L388 | L366-I384 HydrophobicContact CD1-CD1 4.04Å; L366-I384 HydrophobicContact CD2-CG2 4.47Å; V371-I384 HydrophobicContact CG1-CD1 4.03Å; A376-I384 HydrophobicContact CB-CD1 3.43Å; A376-I384 VanDerWaalsContact CB-CD1 3.43Å; A376-I384 HydrophobicContact CB-CG1 3.82Å; I377-I384 HydrophobicContact CD1-CD1 4.29Å; I377-I384 HydrophobicContact CG1-CB 4.37Å; I377-I384 HydrophobicContact CG1-CD1 3.99Å; I377-I384 HydrophobicContact CG1-CG2 4.35Å; G382-I384 PolarHBondContact O-N 2.88Å; I384-G386 PolarHBondContact O-N 3.13Å; I384-W387 HydrophobicContact CG2-CE3 4.38Å; I384-W387 WeakPolarHBondContact O-CB 3.3Å; I384-W387 PolarHBondContact O-N 3.23Å; I384-W387 VanDerWaalsContact O-N 3.07Å; I384-L388 HydrophobicContact CG2-CD1 3.72Å; I384-L388 HydrophobicContact CG2-CG 3.77Å; I384-L388 WeakPolarHBondContact O-CG 3.46Å; I384-L388 PolarHBondContact O-N 3.45Å |
| 385 | F | 85.8 | Confident | 81.9 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | -177.1 | -72.2 | -59.3 | 0 | 0 | 0 | 112.6 | I377 D379 G382 W387 L388 E389 L420 W423 | I377-F385 HydrophobicContact CG2-CZ 4.15Å; I377-F385 WeakPolarHBondContact O-CE2 3.5Å; I377-F385 VanDerWaalsContact O-CZ 3.32Å; I377-F385 WeakPolarHBondContact O-CZ 3.29Å; D379-F385 WeakPolarHBondContact O-CE2 3.34Å; G382-F385 PolarHBondContact O-N 3.5Å; F385-W387 VanDerWaalsContact C-N 3.28Å; F385-W387 PolarHBondContact O-N 3.08Å; F385-L388 PolarHBondContact O-N 3.28Å; F385-E389 WeakPolarHBondContact O-CB 3.42Å; F385-E389 PolarHBondContact O-N 3.38Å; F385-L420 HydrophobicContact CE1-CD1 3.91Å; F385-W423 HydrophobicContact CD1-CB 4Å; F385-W423 AromaticContact CD1-CD1 3.45Å; F385-W423 VanDerWaalsContact CD1-CD1 3.45Å; F385-W423 AromaticContact CD1-CD2 3.6Å; F385-W423 HydrophobicContact CD1-CD2 3.6Å; F385-W423 AromaticContact CD1-CE2 3.77Å; F385-W423 HydrophobicContact CD1-CE3 4.32Å; F385-W423 AromaticContact CD1-CG 3.42Å; F385-W423 HydrophobicContact CD1-CG 3.42Å; F385-W423 VanDerWaalsContact CD1-CG 3.42Å; F385-W423 AromaticContact CD1-NE1 3.64Å; F385-W423 HydrophobicContact CE1-CB 3.62Å; F385-W423 AromaticContact CE1-CD1 3.97Å; F385-W423 HydrophobicContact CE1-CD2 4.02Å; F385-W423 AromaticContact CE1-CG 3.59Å; F385-W423 HydrophobicContact CE1-CG 3.59Å; F385-W423 AromaticContact CG-CD1 3.9Å; F385-W423 HydrophobicContact CG-CG 4.3Å; F385-W423 AromaticContact CG-NE1 3.97Å; F385-W423 HydrophobicContact CZ-CB 4.33Å |
| 386 | G | 82.4 | Confident | 81.7 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.4 | -34.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V339 I384 A390 | V339-G386 VanDerWaalsContact CG1-C 3.43Å; I384-G386 PolarHBondContact O-N 3.13Å; G386-A390 PolarHBondContact O-N 2.68Å |
| 387 | W | 86 | Confident | 81.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.1 | -43.1 | 175.8 | 175.9 | 78 | 0 | 0 | 0 | 111.8 | F326 L340 M362 L366 I384 F385 E389 A390 L391 | F326-W387 HydrophobicContact CE2-CH2 4.39Å; F326-W387 HydrophobicContact CZ-CD2 4.48Å; L340-W387 HydrophobicContact CD1-CG 4.19Å; L340-W387 HydrophobicContact CD2-CB 4.19Å; L340-W387 HydrophobicContact CG-CB 4.28Å; L340-W387 HydrophobicContact CG-CG 4.43Å; M362-W387 HydrophobicContact CB-CH2 4.41Å; M362-W387 HydrophobicContact CB-CZ2 3.95Å; M362-W387 HydrophobicContact CE-CZ2 3.85Å; M362-W387 HydrophobicContact SD-CZ2 4.39Å; L366-W387 HydrophobicContact CD2-CE3 4.43Å; L366-W387 HydrophobicContact CD2-CH2 4.32Å; L366-W387 HydrophobicContact CD2-CZ3 3.62Å; I384-W387 HydrophobicContact CG2-CE3 4.38Å; I384-W387 WeakPolarHBondContact O-CB 3.3Å; I384-W387 PolarHBondContact O-N 3.23Å; I384-W387 VanDerWaalsContact O-N 3.07Å; F385-W387 VanDerWaalsContact C-N 3.28Å; F385-W387 PolarHBondContact O-N 3.08Å; W387-E389 VanDerWaalsContact C-N 3.34Å; W387-A390 PolarHBondContact O-N 3.41Å; W387-L391 HydrophobicContact CH2-CD2 3.96Å; W387-L391 HydrophobicContact CZ2-CD1 4.45Å; W387-L391 HydrophobicContact CZ2-CD2 4.39Å; W387-L391 HydrophobicContact CZ3-CD2 4.2Å; W387-L391 WeakPolarHBondContact O-CB 3.26Å; W387-L391 PolarHBondContact O-N 3.23Å |
| 388 | L | 86.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.5 | -72.5 | 174.7 | 0 | 0 | 0 | 111.1 | I384 F385 A390 L391 V392 L407 L410 L420 W423 | I384-L388 HydrophobicContact CG2-CD1 3.72Å; I384-L388 HydrophobicContact CG2-CG 3.77Å; I384-L388 WeakPolarHBondContact O-CG 3.46Å; I384-L388 PolarHBondContact O-N 3.45Å; F385-L388 PolarHBondContact O-N 3.28Å; L388-A390 VanDerWaalsContact C-N 3.33Å; L388-A390 PolarHBondContact O-N 3.18Å; L388-L391 HydrophobicContact CD2-CD2 4.44Å; L388-L391 WeakPolarHBondContact O-CB 3.3Å; L388-L391 PolarHBondContact O-N 3.28Å; L388-L391 VanDerWaalsContact O-N 3.13Å; L388-V392 VanDerWaalsContact O-CG2 3.26Å; L388-V392 WeakPolarHBondContact O-CG2 3.27Å; L388-V392 PolarHBondContact O-N 3.23Å; L388-L407 HydrophobicContact CD2-CD2 4.33Å; L388-L410 HydrophobicContact CD1-CD1 4.14Å; L388-L410 HydrophobicContact CD2-CD1 3.88Å; L388-L420 HydrophobicContact CD1-CD1 4.33Å; L388-W423 HydrophobicContact CB-CH2 3.66Å; L388-W423 HydrophobicContact CB-CZ2 4.12Å; L388-W423 HydrophobicContact CB-CZ3 4.21Å |
| 389 | E | 85.3 | Confident | 81.5 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.5 | -48.8 | 175.7 | -168.7 | -178.8 | 172.1 | 0 | 0 | 111 | F385 W387 L391 V392 Q393 W423 | F385-E389 WeakPolarHBondContact O-CB 3.42Å; F385-E389 PolarHBondContact O-N 3.38Å; W387-E389 VanDerWaalsContact C-N 3.34Å; E389-L391 VanDerWaalsContact C-N 3.3Å; E389-L391 PolarHBondContact O-N 3.16Å; E389-V392 PolarHBondContact O-N 3.43Å; E389-Q393 VanDerWaalsContact CG-NE2 3.29Å; E389-Q393 WeakPolarHBondContact O-CB 3.39Å; E389-Q393 WeakPolarHBondContact O-CG 3.36Å; E389-Q393 PolarHBondContact O-N 3Å; E389-Q393 PolarHBondContact OE1-NE2 3.48Å; E389-W423 HydrophobicContact CB-CZ2 4.01Å |
| 390 | A | 82.9 | Confident | 81.6 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 22% | 0.223 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L336 V339 G386 W387 L388 S394 | L336-A390 HydrophobicContact CD2-CB 3.68Å; L336-A390 WeakPolarHBondContact CD2-O 3.36Å; V339-A390 HydrophobicContact CG2-CB 4.08Å; G386-A390 PolarHBondContact O-N 2.68Å; W387-A390 PolarHBondContact O-N 3.41Å; L388-A390 VanDerWaalsContact C-N 3.33Å; L388-A390 PolarHBondContact O-N 3.18Å; A390-S394 PolarHBondContact O-N 3.35Å |
| 391 | L | 86.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -49.6 | 178 | -174.9 | 72.4 | 0 | 0 | 0 | 111.5 | V359 W387 L388 E389 Q393 S394 I399 | V359-L391 HydrophobicContact CG1-CD1 3.5Å; V359-L391 VanDerWaalsContact CG1-CD1 3.5Å; W387-L391 HydrophobicContact CH2-CD2 3.96Å; W387-L391 HydrophobicContact CZ2-CD1 4.45Å; W387-L391 HydrophobicContact CZ2-CD2 4.39Å; W387-L391 HydrophobicContact CZ3-CD2 4.2Å; W387-L391 WeakPolarHBondContact O-CB 3.26Å; W387-L391 PolarHBondContact O-N 3.23Å; L388-L391 HydrophobicContact CD2-CD2 4.44Å; L388-L391 WeakPolarHBondContact O-CB 3.3Å; L388-L391 PolarHBondContact O-N 3.28Å; L388-L391 VanDerWaalsContact O-N 3.13Å; E389-L391 VanDerWaalsContact C-N 3.3Å; E389-L391 PolarHBondContact O-N 3.16Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-S394 WeakPolarHBondContact O-CB 3.21Å; L391-S394 PolarHBondContact O-N 2.97Å; L391-S394 PolarHBondContact O-OG 3.41Å; L391-I399 HydrophobicContact CD1-CG2 3.49Å; L391-I399 VanDerWaalsContact CD1-CG2 3.49Å; L391-I399 HydrophobicContact CG-CG2 4.36Å |
| 392 | V | 86.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73 | -29.8 | -176 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | L388 E389 S394 L407 V435 Q438 | L388-V392 VanDerWaalsContact O-CG2 3.26Å; L388-V392 WeakPolarHBondContact O-CG2 3.27Å; L388-V392 PolarHBondContact O-N 3.23Å; E389-V392 PolarHBondContact O-N 3.43Å; V392-S394 PolarHBondContact O-N 3.44Å; V392-L407 HydrophobicContact CG2-CD1 3.86Å; V392-L407 HydrophobicContact CG2-CG 4.4Å; V392-V435 HydrophobicContact CB-CG1 4.34Å; V392-V435 HydrophobicContact CG1-CB 4.04Å; V392-V435 HydrophobicContact CG1-CG1 3.57Å; V392-V435 HydrophobicContact CG1-CG2 4.07Å; V392-Q438 HydrophobicContact CG1-CB 4.46Å |
| 393 | Q | 84.8 | Confident | 83.2 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -2.8 | 172.9 | -69.5 | 179.7 | 14.9 | 0 | 0 | 114 | E389 L391 V435 | E389-Q393 VanDerWaalsContact CG-NE2 3.29Å; E389-Q393 WeakPolarHBondContact O-CB 3.39Å; E389-Q393 WeakPolarHBondContact O-CG 3.36Å; E389-Q393 PolarHBondContact O-N 3Å; E389-Q393 PolarHBondContact OE1-NE2 3.48Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; Q393-V435 HydrophobicContact CG-CG2 4.18Å |
| 394 | S | 81.3 | Confident | 83.6 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | trans | -66.9 | 137.9 | -178.4 | 75.7 | 0 | 0 | 0 | 0 | 112 | A390 L391 V392 S396 I399 | A390-S394 PolarHBondContact O-N 3.35Å; L391-S394 WeakPolarHBondContact O-CB 3.21Å; L391-S394 PolarHBondContact O-N 2.97Å; L391-S394 PolarHBondContact O-OG 3.41Å; V392-S394 PolarHBondContact O-N 3.44Å; S394-S396 VanDerWaalsContact C-N 3.28Å; S394-S396 PolarHBondContact O-N 2.77Å; S394-I399 WeakPolarHBondContact OG-CB 3.4Å; S394-I399 WeakPolarHBondContact OG-CG2 3.43Å | ||
| 395 | R | 77.2 | Confident | 83.7 | Confident | 251 Ų | 251 | 52.5 Ų | 52.5 | 95% | 0.947 | 26% | 0.258 | S | S | * | . | trans | -84 | -0.5 | 179.4 | -63.7 | -175.4 | -178.8 | 177.5 | 1.3 | 113.9 | ||||
| 396 | S | 78.9 | Confident | 84 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | trans | -84.8 | 120.8 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | S394 K398 I399 S400 | S394-S396 VanDerWaalsContact C-N 3.28Å; S394-S396 PolarHBondContact O-N 2.77Å; S396-K398 VanDerWaalsContact C-N 3.3Å; S396-K398 PolarHBondContact O-N 3.27Å; S396-I399 PolarHBondContact O-N 3.28Å; S396-I399 VanDerWaalsContact O-N 3.07Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.46Å | ||
| 397 | E | 76.8 | Confident | 84.4 | Confident | 152 Ų | 152 | 50.8 Ų | 50.8 | 71% | 0.71 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -54.1 | -44.7 | 179.3 | -172.6 | 175.1 | -162.2 | 0 | 0 | 112.2 | I399 S400 E401 | E397-I399 PolarHBondContact O-N 2.86Å; E397-S400 WeakPolarHBondContact O-CB 3.46Å; E397-S400 PolarHBondContact O-N 2.89Å; E397-E401 WeakPolarHBondContact O-CG 3.4Å; E397-E401 PolarHBondContact O-N 2.96Å |
| 398 | K | 77.6 | Confident | 84.7 | Confident | 109 Ų | 109 | 52 Ų | 52 | 47% | 0.474 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 177 | -70 | -175 | 177.9 | -179.5 | 0 | 112.9 | S396 V402 | S396-K398 VanDerWaalsContact C-N 3.3Å; S396-K398 PolarHBondContact O-N 3.27Å; K398-V402 VanDerWaalsContact O-CG2 3.24Å; K398-V402 WeakPolarHBondContact O-CG2 3.48Å; K398-V402 PolarHBondContact O-N 3.36Å |
| 399 | I | 82.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.9 | -35.9 | 179.6 | -59.1 | 179 | 0 | 0 | 0 | 110 | L336 L351 V359 L391 S394 S396 E397 V402 S403 | L336-I399 HydrophobicContact CD1-CD1 4.41Å; L351-I399 HydrophobicContact CD1-CD1 3.23Å; V359-I399 HydrophobicContact CG1-CG2 4.36Å; L391-I399 HydrophobicContact CD1-CG2 3.49Å; L391-I399 VanDerWaalsContact CD1-CG2 3.49Å; L391-I399 HydrophobicContact CG-CG2 4.36Å; S394-I399 WeakPolarHBondContact OG-CB 3.4Å; S394-I399 WeakPolarHBondContact OG-CG2 3.43Å; S396-I399 PolarHBondContact O-N 3.28Å; S396-I399 VanDerWaalsContact O-N 3.07Å; E397-I399 PolarHBondContact O-N 2.86Å; I399-V402 PolarHBondContact O-N 3.04Å; I399-S403 VanDerWaalsContact O-CB 3.24Å; I399-S403 WeakPolarHBondContact O-CB 3.46Å; I399-S403 PolarHBondContact O-N 2.71Å; I399-S403 PolarHBondContact O-OG 3.4Å |
| 400 | S | 81.9 | Confident | 85 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 20% | 0.203 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 175 | 170.4 | 0 | 0 | 0 | 0 | 112 | S396 E397 V402 S403 E404 Q438 | S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.46Å; E397-S400 WeakPolarHBondContact O-CB 3.46Å; E397-S400 PolarHBondContact O-N 2.89Å; S400-V402 PolarHBondContact O-N 2.8Å; S400-S403 WeakPolarHBondContact CA-OG 3.41Å; S400-S403 PolarHBondContact O-N 2.93Å; S400-S403 PolarHBondContact O-OG 3.43Å; S400-E404 PolarHBondContact O-N 3.42Å; S400-Q438 PolarHBondContact OG-NE2 2.93Å |
| 401 | E | 84 | Confident | 85.2 | Confident | 125 Ų | 125 | 47.2 Ų | 47.2 | 58% | 0.584 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.1 | -45.5 | 174.3 | -71.9 | -179.7 | 170.1 | 0 | 0 | 112 | E397 S403 E404 E405 | E397-E401 WeakPolarHBondContact O-CG 3.4Å; E397-E401 PolarHBondContact O-N 2.96Å; E401-S403 VanDerWaalsContact C-N 3.3Å; E401-S403 PolarHBondContact O-N 3.2Å; E401-E404 PolarHBondContact O-N 2.95Å; E401-E405 PolarHBondContact O-N 3.47Å; E401-E405 VanDerWaalsContact O-N 3.15Å |
| 402 | V | 86.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.158 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -34.4 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | M360 C363 K398 I399 S400 E405 T406 | M360-V402 HydrophobicContact CG-CG2 4.19Å; M360-V402 HydrophobicContact SD-CG2 4.42Å; C363-V402 HydrophobicContact CB-CG1 3.71Å; K398-V402 VanDerWaalsContact O-CG2 3.24Å; K398-V402 WeakPolarHBondContact O-CG2 3.48Å; K398-V402 PolarHBondContact O-N 3.36Å; I399-V402 PolarHBondContact O-N 3.04Å; S400-V402 PolarHBondContact O-N 2.8Å; V402-E405 PolarHBondContact O-N 3.29Å; V402-T406 VanDerWaalsContact O-CB 3.26Å; V402-T406 WeakPolarHBondContact O-CB 3.44Å; V402-T406 PolarHBondContact O-N 3.13Å; V402-T406 PolarHBondContact O-OG1 3.12Å |
| 403 | S | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 179 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | I399 S400 E401 T406 L407 Q438 | I399-S403 VanDerWaalsContact O-CB 3.24Å; I399-S403 WeakPolarHBondContact O-CB 3.46Å; I399-S403 PolarHBondContact O-N 2.71Å; I399-S403 PolarHBondContact O-OG 3.4Å; S400-S403 WeakPolarHBondContact CA-OG 3.41Å; S400-S403 PolarHBondContact O-N 2.93Å; S400-S403 PolarHBondContact O-OG 3.43Å; E401-S403 VanDerWaalsContact C-N 3.3Å; E401-S403 PolarHBondContact O-N 3.2Å; S403-T406 WeakPolarHBondContact O-CB 3.31Å; S403-T406 PolarHBondContact O-N 2.88Å; S403-L407 WeakPolarHBondContact O-CG 3.32Å; S403-L407 PolarHBondContact O-N 3.31Å; S403-Q438 PolarHBondContact OG-OE1 3.33Å; S403-Q438 VanDerWaalsContact OG-OE1 3.04Å |
| 404 | E | 89 | Confident | 85.4 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 173.9 | -174.3 | 177.1 | 141.2 | 0 | 0 | 110.6 | S400 E401 T406 L407 T408 Q438 R441 | S400-E404 PolarHBondContact O-N 3.42Å; E401-E404 PolarHBondContact O-N 2.95Å; E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 PolarHBondContact O-N 3.21Å; E404-L407 PolarHBondContact O-N 3.15Å; E404-T408 WeakPolarHBondContact O-CB 3.49Å; E404-T408 PolarHBondContact O-N 3.03Å; E404-T408 PolarHBondContact O-OG1 3.48Å; E404-Q438 HydrophobicContact CB-CB 4.38Å; E404-Q438 HydrophobicContact CB-CG 4.44Å; E404-R441 HydrophobicContact CG-CB 4.46Å; E404-R441 WeakPolarHBondContact OE1-CD 3.29Å; E404-R441 IonicContact OE2-CZ 2.78Å; E404-R441 IonicContact OE2-NH1 3.61Å; E404-R441 PolarHBondContact OE2-NH1 3.13Å |
| 405 | E | 88.4 | Confident | 85.4 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -40 | 173.8 | -172.4 | -179.3 | 161.3 | 0 | 0 | 111.4 | R306 E401 V402 T408 L409 | R306-E405 IonicContact CZ-OE1 2.73Å; R306-E405 IonicContact CZ-OE2 3.94Å; R306-E405 VanDerWaalsContact CZ-OE2 3.32Å; R306-E405 IonicContact NH1-OE1 2.68Å; R306-E405 PolarHBondContact NH1-OE1 3.2Å; R306-E405 IonicContact NH1-OE2 3.48Å; R306-E405 PolarHBondContact NH1-OE2 2.93Å; R306-E405 IonicContact NH2-OE1 3.44Å; R306-E405 IonicContact NH2-OE2 2.88Å; R306-E405 PolarHBondContact NH2-OE2 2.71Å; E401-E405 PolarHBondContact O-N 3.47Å; E401-E405 VanDerWaalsContact O-N 3.15Å; V402-E405 PolarHBondContact O-N 3.29Å; E405-T408 PolarHBondContact O-N 2.73Å; E405-L409 HydrophobicContact CG-CD1 3.94Å; E405-L409 HydrophobicContact CG-CG 4.41Å; E405-L409 WeakPolarHBondContact O-CB 3.27Å; E405-L409 VanDerWaalsContact O-CG 3.31Å; E405-L409 WeakPolarHBondContact O-CG 3.38Å; E405-L409 PolarHBondContact O-N 2.88Å |
| 406 | T | 91.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -46.3 | -179.6 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | C363 T367 V402 S403 E404 T408 L409 L410 | C363-T406 HydrophobicContact CB-CG2 4.36Å; C363-T406 WeakPolarHBondContact CB-OG1 3.44Å; T367-T406 HydrophobicContact CG2-CG2 3.89Å; V402-T406 VanDerWaalsContact O-CB 3.26Å; V402-T406 WeakPolarHBondContact O-CB 3.44Å; V402-T406 PolarHBondContact O-N 3.13Å; V402-T406 PolarHBondContact O-OG1 3.12Å; S403-T406 WeakPolarHBondContact O-CB 3.31Å; S403-T406 PolarHBondContact O-N 2.88Å; E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 PolarHBondContact O-N 3.21Å; T406-T408 VanDerWaalsContact C-N 3.34Å; T406-L409 PolarHBondContact O-N 3.24Å; T406-L410 HydrophobicContact CG2-CD1 3.97Å; T406-L410 HydrophobicContact CG2-CG 4.32Å; T406-L410 VanDerWaalsContact O-CB 3.27Å; T406-L410 WeakPolarHBondContact O-CB 3.46Å; T406-L410 VanDerWaalsContact O-CG 3.24Å; T406-L410 WeakPolarHBondContact O-CG 3.49Å; T406-L410 PolarHBondContact O-N 2.87Å |
| 407 | L | 91.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176 | -69.2 | 176.3 | 0 | 0 | 0 | 111.5 | L388 V392 S403 E404 L410 L411 W423 I424 A442 | L388-L407 HydrophobicContact CD2-CD2 4.33Å; V392-L407 HydrophobicContact CG2-CD1 3.86Å; V392-L407 HydrophobicContact CG2-CG 4.4Å; S403-L407 WeakPolarHBondContact O-CG 3.32Å; S403-L407 PolarHBondContact O-N 3.31Å; E404-L407 PolarHBondContact O-N 3.15Å; L407-L410 PolarHBondContact O-N 3Å; L407-L411 PolarHBondContact O-N 3.48Å; L407-W423 HydrophobicContact CD2-CZ3 4.18Å; L407-I424 HydrophobicContact CD2-CD1 4.21Å; L407-I424 HydrophobicContact CD2-CG1 4.43Å; L407-A442 HydrophobicContact CB-CB 3.72Å |
| 408 | T | 91 | Very high | 86.1 | Confident | 27 Ų | 27 | 39 Ų | 39 | 17% | 0.166 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | E404 E405 T406 L411 E412 A442 T445 V446 | E404-T408 WeakPolarHBondContact O-CB 3.49Å; E404-T408 PolarHBondContact O-N 3.03Å; E404-T408 PolarHBondContact O-OG1 3.48Å; E405-T408 PolarHBondContact O-N 2.73Å; T406-T408 VanDerWaalsContact C-N 3.34Å; T408-L411 PolarHBondContact O-N 3.44Å; T408-E412 WeakPolarHBondContact O-CB 3.26Å; T408-E412 PolarHBondContact O-N 2.94Å; T408-A442 WeakPolarHBondContact OG1-CA 3.24Å; T408-T445 WeakPolarHBondContact CG2-OG1 3.48Å; T408-V446 HydrophobicContact CG2-CG2 3.87Å |
| 409 | L | 89.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.5 | -32.7 | 179.4 | -69 | 175.1 | 0 | 0 | 0 | 112.8 | I310 T367 E405 T406 E412 F413 | I310-L409 HydrophobicContact CD1-CD2 3.83Å; I310-L409 HydrophobicContact CG1-CD2 4.08Å; I310-L409 HydrophobicContact CG2-CD2 4.08Å; T367-L409 HydrophobicContact CG2-CB 3.67Å; T367-L409 HydrophobicContact CG2-CD1 4.08Å; E405-L409 HydrophobicContact CG-CD1 3.94Å; E405-L409 HydrophobicContact CG-CG 4.41Å; E405-L409 WeakPolarHBondContact O-CB 3.27Å; E405-L409 VanDerWaalsContact O-CG 3.31Å; E405-L409 WeakPolarHBondContact O-CG 3.38Å; E405-L409 PolarHBondContact O-N 2.88Å; T406-L409 PolarHBondContact O-N 3.24Å; L409-E412 WeakPolarHBondContact O-CB 3.24Å; L409-E412 PolarHBondContact O-N 3.08Å; L409-F413 HydrophobicContact CB-CD2 4.33Å; L409-F413 HydrophobicContact CB-CE2 4.19Å; L409-F413 HydrophobicContact CD2-CE2 4.19Å; L409-F413 WeakPolarHBondContact O-CD2 3.24Å; L409-F413 PolarHBondContact O-N 2.68Å |
| 410 | L | 89.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 175.1 | -83.2 | 175.7 | 0 | 0 | 0 | 111.3 | L366 T367 V371 I377 L388 T406 L407 E412 N414 L420 | L366-L410 HydrophobicContact CD2-CD1 4.04Å; L366-L410 HydrophobicContact CD2-CD2 4.08Å; L366-L410 HydrophobicContact CD2-CG 4.49Å; L366-L410 HydrophobicContact CG-CD2 3.96Å; T367-L410 HydrophobicContact CG2-CG 4.5Å; V371-L410 HydrophobicContact CG2-CD2 3.48Å; V371-L410 VanDerWaalsContact CG2-CD2 3.48Å; I377-L410 HydrophobicContact CD1-CD2 4.12Å; L388-L410 HydrophobicContact CD1-CD1 4.14Å; L388-L410 HydrophobicContact CD2-CD1 3.88Å; T406-L410 HydrophobicContact CG2-CD1 3.97Å; T406-L410 HydrophobicContact CG2-CG 4.32Å; T406-L410 VanDerWaalsContact O-CB 3.27Å; T406-L410 WeakPolarHBondContact O-CB 3.46Å; T406-L410 VanDerWaalsContact O-CG 3.24Å; T406-L410 WeakPolarHBondContact O-CG 3.49Å; T406-L410 PolarHBondContact O-N 2.87Å; L407-L410 PolarHBondContact O-N 3Å; L410-E412 VanDerWaalsContact C-N 3.29Å; L410-N414 WeakPolarHBondContact O-CB 3.42Å; L410-N414 PolarHBondContact O-N 3.35Å; L410-N414 PolarHBondContact O-ND2 2.89Å; L410-L420 HydrophobicContact CB-CD2 4Å |
| 411 | L | 87.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 170.2 | -75.8 | 174.2 | 0 | 0 | 0 | 110.6 | L407 T408 F413 L420 L421 I424 V443 V446 R450 | L407-L411 PolarHBondContact O-N 3.48Å; T408-L411 PolarHBondContact O-N 3.44Å; L411-F413 PolarHBondContact O-N 2.85Å; L411-L420 HydrophobicContact CD2-CD2 4.14Å; L411-L420 HydrophobicContact CD2-CG 4.17Å; L411-L420 HydrophobicContact CG-CD2 4.5Å; L411-L421 HydrophobicContact CD2-CB 4.45Å; L411-L421 HydrophobicContact CD2-CD1 4.37Å; L411-I424 HydrophobicContact CD1-CD1 3.63Å; L411-I424 HydrophobicContact CD2-CD1 3.86Å; L411-I424 HydrophobicContact CG-CD1 3.64Å; L411-V443 HydrophobicContact CD1-CG2 4.17Å; L411-V446 HydrophobicContact CB-CG1 4.37Å; L411-V446 HydrophobicContact CB-CG2 3.89Å; L411-V446 HydrophobicContact CD1-CG2 4.32Å; L411-R450 PolarHBondContact O-NH2 3.42Å |
| 412 | E | 86.6 | Confident | 87.4 | Confident | 68 Ų | 68 | 31.9 Ų | 31.9 | 32% | 0.318 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57 | -52 | 178.9 | -160.5 | 177.7 | 165.6 | 0 | 0 | 112.4 | T408 L409 L410 R450 | T408-E412 WeakPolarHBondContact O-CB 3.26Å; T408-E412 PolarHBondContact O-N 2.94Å; L409-E412 WeakPolarHBondContact O-CB 3.24Å; L409-E412 PolarHBondContact O-N 3.08Å; L410-E412 VanDerWaalsContact C-N 3.29Å; E412-R450 PolarHBondContact O-NH1 2.83Å; E412-R450 PolarHBondContact O-NH2 2.98Å |
| 413 | F | 86.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 32.3 Ų | 32.3 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -82.4 | -18.4 | -175.6 | -65.5 | -56.6 | 0 | 0 | 0 | 114.3 | I310 L314 T367 H370 L409 L411 | I310-F413 HydrophobicContact CG2-CE1 3.92Å; I310-F413 HydrophobicContact CG2-CE2 4.33Å; I310-F413 HydrophobicContact CG2-CZ 3.46Å; I310-F413 VanDerWaalsContact CG2-CZ 3.46Å; L314-F413 HydrophobicContact CD2-CD1 3.63Å; L314-F413 HydrophobicContact CD2-CE1 3.73Å; L314-F413 HydrophobicContact CG-CE1 4.31Å; T367-F413 WeakPolarHBondContact O-CE2 3.3Å; H370-F413 PolarHBondContact CE1-O 2.83Å; H370-F413 PolarHBondContact ND1-O 2.92Å; L409-F413 HydrophobicContact CB-CD2 4.33Å; L409-F413 HydrophobicContact CB-CE2 4.19Å; L409-F413 HydrophobicContact CD2-CE2 4.19Å; L409-F413 WeakPolarHBondContact O-CD2 3.24Å; L409-F413 PolarHBondContact O-N 2.68Å; L411-F413 PolarHBondContact O-N 2.85Å |
| 414 | N | 86.5 | Confident | 87.6 | Confident | 19 Ų | 19 | 32.3 Ų | 32.3 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | trans | -124.7 | 57.7 | -172.2 | -50.1 | -84.9 | 0 | 0 | 0 | 111.3 | V371 L410 D416 A417 | V371-N414 WeakPolarHBondContact CG2-ND2 3.41Å; V371-N414 PolarHBondContact N-OD1 3.45Å; L410-N414 WeakPolarHBondContact O-CB 3.42Å; L410-N414 PolarHBondContact O-N 3.35Å; L410-N414 PolarHBondContact O-ND2 2.89Å; N414-D416 PolarHBondContact O-N 2.81Å; N414-D416 VanDerWaalsContact O-N 3.13Å; N414-A417 HydrophobicContact CB-CB 4.23Å; N414-A417 PolarHBondContact O-N 3.19Å; N414-A417 VanDerWaalsContact O-N 3.15Å | ||
| 415 | S | 81.2 | Confident | 87.7 | Confident | 38 Ų | 38 | 30.5 Ų | 30.5 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.3 | -179.3 | 51 | 0 | 0 | 0 | 0 | 114.7 | A417 Y452 | S415-A417 VanDerWaalsContact C-N 3.32Å; S415-Y452 WeakPolarHBondContact CA-OH 3.46Å; S415-Y452 PolarHBondContact O-OH 3.42Å |
| 416 | D | 79.4 | Confident | 87.8 | Confident | 142 Ų | 142 | 30.6 Ų | 30.6 | 76% | 0.759 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.8 | -173.9 | -49.7 | -16.9 | 0 | 0 | 0 | 111.9 | N414 T418 | N414-D416 PolarHBondContact O-N 2.81Å; N414-D416 VanDerWaalsContact O-N 3.13Å; D416-T418 PolarHBondContact O-N 3.41Å |
| 417 | A | 82.1 | Confident | 87.8 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | trans | -87.9 | 80 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I377 N414 S415 N419 L420 | I377-A417 HydrophobicContact CG2-CB 4.11Å; N414-A417 HydrophobicContact CB-CB 4.23Å; N414-A417 PolarHBondContact O-N 3.19Å; N414-A417 VanDerWaalsContact O-N 3.15Å; S415-A417 VanDerWaalsContact C-N 3.32Å; A417-N419 VanDerWaalsContact C-N 3.27Å; A417-N419 PolarHBondContact O-N 3.39Å; A417-L420 HydrophobicContact CB-CB 4.21Å; A417-L420 WeakPolarHBondContact O-CB 3.41Å; A417-L420 PolarHBondContact O-N 2.99Å; A417-L420 VanDerWaalsContact O-N 3.12Å | ||
| 418 | T | 85.7 | Confident | 87.9 | Confident | 89 Ų | 89 | 31.2 Ų | 31.2 | 55% | 0.546 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -55.8 | -40.8 | 179 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | D416 L420 L421 D422 | D416-T418 PolarHBondContact O-N 3.41Å; T418-L420 PolarHBondContact O-N 2.82Å; T418-L420 VanDerWaalsContact O-N 3.16Å; T418-L421 WeakPolarHBondContact O-CA 3.16Å; T418-L421 WeakPolarHBondContact O-CB 3.47Å; T418-L421 PolarHBondContact O-N 3.1Å; T418-D422 PolarHBondContact O-N 2.62Å |
| 419 | N | 87.8 | Confident | 88 | Confident | 44 Ų | 44 | 29.9 Ų | 29.9 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -27.1 | -179.9 | -67.6 | -4.7 | 0 | 0 | 0 | 113.2 | S378 A417 W423 | S378-N419 PolarHBondContact O-ND2 2.75Å; A417-N419 VanDerWaalsContact C-N 3.27Å; A417-N419 PolarHBondContact O-N 3.39Å; N419-W423 VanDerWaalsContact O-CB 3.26Å; N419-W423 WeakPolarHBondContact O-CB 3.44Å; N419-W423 PolarHBondContact O-N 3.18Å |
| 420 | L | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.5 | -44.3 | 172.1 | -180 | 61.2 | 0 | 0 | 0 | 111.5 | I377 F385 L388 L410 L411 A417 T418 D422 W423 I424 | I377-L420 HydrophobicContact CG2-CB 3.6Å; I377-L420 HydrophobicContact CG2-CD1 4.1Å; I377-L420 HydrophobicContact CG2-CD2 4.06Å; I377-L420 HydrophobicContact CG2-CG 4.11Å; F385-L420 HydrophobicContact CE1-CD1 3.91Å; L388-L420 HydrophobicContact CD1-CD1 4.33Å; L410-L420 HydrophobicContact CB-CD2 4Å; L411-L420 HydrophobicContact CD2-CD2 4.14Å; L411-L420 HydrophobicContact CD2-CG 4.17Å; L411-L420 HydrophobicContact CG-CD2 4.5Å; A417-L420 HydrophobicContact CB-CB 4.21Å; A417-L420 WeakPolarHBondContact O-CB 3.41Å; A417-L420 PolarHBondContact O-N 2.99Å; A417-L420 VanDerWaalsContact O-N 3.12Å; T418-L420 PolarHBondContact O-N 2.82Å; T418-L420 VanDerWaalsContact O-N 3.16Å; L420-D422 VanDerWaalsContact C-N 3.33Å; L420-W423 PolarHBondContact O-N 3.35Å; L420-I424 HydrophobicContact CD1-CD1 4.09Å; L420-I424 HydrophobicContact CD1-CG1 4.37Å; L420-I424 HydrophobicContact CG-CD1 4.09Å; L420-I424 VanDerWaalsContact O-CG1 3.27Å; L420-I424 WeakPolarHBondContact O-CG1 3.4Å; L420-I424 PolarHBondContact O-N 3.4Å |
| 421 | L | 88.6 | Confident | 88 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 177.1 | 177.8 | 66.5 | 0 | 0 | 0 | 109.7 | L411 T418 W423 I424 I425 V443 F447 Y452 C454 | L411-L421 HydrophobicContact CD2-CB 4.45Å; L411-L421 HydrophobicContact CD2-CD1 4.37Å; T418-L421 WeakPolarHBondContact O-CA 3.16Å; T418-L421 WeakPolarHBondContact O-CB 3.47Å; T418-L421 PolarHBondContact O-N 3.1Å; L421-W423 VanDerWaalsContact C-N 3.34Å; L421-W423 PolarHBondContact O-N 3.45Å; L421-I424 PolarHBondContact O-N 2.9Å; L421-I424 VanDerWaalsContact O-N 3.15Å; L421-I425 HydrophobicContact CD1-CD1 4.05Å; L421-I425 HydrophobicContact CD1-CG1 4.27Å; L421-I425 HydrophobicContact CD2-CD1 4.3Å; L421-I425 HydrophobicContact CG-CD1 3.79Å; L421-I425 HydrophobicContact CG-CG1 4.37Å; L421-I425 VanDerWaalsContact O-CG1 3.31Å; L421-I425 WeakPolarHBondContact O-CG1 3.32Å; L421-I425 PolarHBondContact O-N 3.29Å; L421-V443 HydrophobicContact CD1-CG2 4.49Å; L421-F447 HydrophobicContact CD1-CE2 3.92Å; L421-F447 HydrophobicContact CD1-CZ 4.04Å; L421-F447 HydrophobicContact CD2-CZ 4.15Å; L421-Y452 HydrophobicContact CD2-CD1 4.43Å; L421-Y452 HydrophobicContact CD2-CE1 4.01Å; L421-C454 HydrophobicContact CD2-CB 3.99Å |
| 422 | D | 88.8 | Confident | 88 | Confident | 64 Ų | 64 | 33.1 Ų | 33.1 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 179.4 | -65.5 | -33.4 | 0 | 0 | 0 | 111.4 | T418 L420 I424 I425 D426 | T418-D422 PolarHBondContact O-N 2.62Å; L420-D422 VanDerWaalsContact C-N 3.33Å; D422-I424 VanDerWaalsContact C-N 3.34Å; D422-I424 PolarHBondContact O-N 3.41Å; D422-I425 PolarHBondContact O-N 2.84Å; D422-D426 PolarHBondContact O-N 3.46Å |
| 423 | W | 89.1 | Confident | 88.1 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 175 | -176.2 | 91.7 | 0 | 0 | 0 | 112.4 | F385 L388 E389 L407 N419 L420 L421 D426 H427 | F385-W423 HydrophobicContact CD1-CB 4Å; F385-W423 AromaticContact CD1-CD1 3.45Å; F385-W423 VanDerWaalsContact CD1-CD1 3.45Å; F385-W423 AromaticContact CD1-CD2 3.6Å; F385-W423 HydrophobicContact CD1-CD2 3.6Å; F385-W423 AromaticContact CD1-CE2 3.77Å; F385-W423 HydrophobicContact CD1-CE3 4.32Å; F385-W423 AromaticContact CD1-CG 3.42Å; F385-W423 HydrophobicContact CD1-CG 3.42Å; F385-W423 VanDerWaalsContact CD1-CG 3.42Å; F385-W423 AromaticContact CD1-NE1 3.64Å; F385-W423 HydrophobicContact CE1-CB 3.62Å; F385-W423 AromaticContact CE1-CD1 3.97Å; F385-W423 HydrophobicContact CE1-CD2 4.02Å; F385-W423 AromaticContact CE1-CG 3.59Å; F385-W423 HydrophobicContact CE1-CG 3.59Å; F385-W423 AromaticContact CG-CD1 3.9Å; F385-W423 HydrophobicContact CG-CG 4.3Å; F385-W423 AromaticContact CG-NE1 3.97Å; F385-W423 HydrophobicContact CZ-CB 4.33Å; L388-W423 HydrophobicContact CB-CH2 3.66Å; L388-W423 HydrophobicContact CB-CZ2 4.12Å; L388-W423 HydrophobicContact CB-CZ3 4.21Å; E389-W423 HydrophobicContact CB-CZ2 4.01Å; L407-W423 HydrophobicContact CD2-CZ3 4.18Å; N419-W423 VanDerWaalsContact O-CB 3.26Å; N419-W423 WeakPolarHBondContact O-CB 3.44Å; N419-W423 PolarHBondContact O-N 3.18Å; L420-W423 PolarHBondContact O-N 3.35Å; L421-W423 VanDerWaalsContact C-N 3.34Å; L421-W423 PolarHBondContact O-N 3.45Å; W423-D426 PolarHBondContact O-N 2.92Å; W423-H427 AromaticContact CD1-CE1 3.86Å; W423-H427 AromaticContact CD2-CE1 3.69Å; W423-H427 AromaticContact CD2-ND1 3.68Å; W423-H427 AromaticContact CE2-CE1 3.1Å; W423-H427 AromaticContact CE2-ND1 3.6Å; W423-H427 AromaticContact CE2-NE2 3.73Å; W423-H427 AromaticContact CH2-NE2 3.95Å; W423-H427 AromaticContact CZ2-CE1 3.31Å; W423-H427 WeakPolarHBondContact CZ2-CE1 3.37Å; W423-H427 AromaticContact CZ2-ND1 3.9Å; W423-H427 AromaticContact CZ2-NE2 3.4Å; W423-H427 WeakPolarHBondContact CZ2-NE2 3.49Å; W423-H427 AromaticContact NE1-CE1 3.25Å; W423-H427 PolarHBondContact NE1-CE1 3.25Å; W423-H427 AromaticContact NE1-ND1 3.95Å; W423-H427 PolarHBondContact O-N 3.13Å; W423-H427 VanDerWaalsContact O-N 3.16Å; W423-H427 PolarHBondContact O-ND1 2.87Å |
| 424 | I | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.9 | -41.2 | 178.8 | -64.9 | 172.4 | 0 | 0 | 0 | 110.9 | L407 L411 L420 L421 D422 H427 C428 C439 V443 | L407-I424 HydrophobicContact CD2-CD1 4.21Å; L407-I424 HydrophobicContact CD2-CG1 4.43Å; L411-I424 HydrophobicContact CD1-CD1 3.63Å; L411-I424 HydrophobicContact CD2-CD1 3.86Å; L411-I424 HydrophobicContact CG-CD1 3.64Å; L420-I424 HydrophobicContact CD1-CD1 4.09Å; L420-I424 HydrophobicContact CD1-CG1 4.37Å; L420-I424 HydrophobicContact CG-CD1 4.09Å; L420-I424 VanDerWaalsContact O-CG1 3.27Å; L420-I424 WeakPolarHBondContact O-CG1 3.4Å; L420-I424 PolarHBondContact O-N 3.4Å; L421-I424 PolarHBondContact O-N 2.9Å; L421-I424 VanDerWaalsContact O-N 3.15Å; D422-I424 VanDerWaalsContact C-N 3.34Å; D422-I424 PolarHBondContact O-N 3.41Å; I424-H427 PolarHBondContact O-N 3.4Å; I424-C428 PolarHBondContact O-N 3.01Å; I424-C428 PolarHBondContact O-SG 3.02Å; I424-C439 HydrophobicContact CG2-CB 3.74Å; I424-V443 HydrophobicContact CB-CG2 4.31Å; I424-V443 HydrophobicContact CG2-CG2 3.4Å; I424-V443 VanDerWaalsContact CG2-CG2 3.4Å |
| 425 | I | 91.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.6 | -68.4 | 173.6 | 0 | 0 | 0 | 110 | L421 D422 H427 C428 Y429 M459 L462 | L421-I425 HydrophobicContact CD1-CD1 4.05Å; L421-I425 HydrophobicContact CD1-CG1 4.27Å; L421-I425 HydrophobicContact CD2-CD1 4.3Å; L421-I425 HydrophobicContact CG-CD1 3.79Å; L421-I425 HydrophobicContact CG-CG1 4.37Å; L421-I425 VanDerWaalsContact O-CG1 3.31Å; L421-I425 WeakPolarHBondContact O-CG1 3.32Å; L421-I425 PolarHBondContact O-N 3.29Å; D422-I425 PolarHBondContact O-N 2.84Å; I425-H427 VanDerWaalsContact C-N 3.28Å; I425-H427 PolarHBondContact O-N 3.07Å; I425-C428 VanDerWaalsContact O-CB 3.26Å; I425-C428 WeakPolarHBondContact O-CB 3.48Å; I425-C428 PolarHBondContact O-N 3.3Å; I425-Y429 HydrophobicContact CG2-CD2 4.27Å; I425-Y429 HydrophobicContact CG2-CE2 3.73Å; I425-Y429 WeakPolarHBondContact O-CD2 3.33Å; I425-M459 HydrophobicContact CD1-SD 3.92Å; I425-M459 HydrophobicContact CG1-SD 4.48Å; I425-L462 HydrophobicContact CG1-CD2 4.23Å |
| 426 | D | 90.1 | Very high | 88.6 | Confident | 62 Ų | 62 | 33.9 Ų | 33.9 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.5 | -38.9 | 177.2 | -82.3 | -31.2 | 0 | 0 | 0 | 112.7 | D422 W423 C428 Y429 S430 R548 | D422-D426 PolarHBondContact O-N 3.46Å; W423-D426 PolarHBondContact O-N 2.92Å; D426-C428 VanDerWaalsContact C-N 3.29Å; D426-C428 PolarHBondContact O-N 3.36Å; D426-Y429 PolarHBondContact O-N 3.07Å; D426-Y429 VanDerWaalsContact O-N 3.14Å; D426-S430 WeakPolarHBondContact O-CB 3.38Å; D426-S430 PolarHBondContact O-N 2.87Å; D426-S430 PolarHBondContact O-OG 3.39Å; D426-R548 IonicContact OD1-CZ 2.62Å; D426-R548 IonicContact OD1-NH1 3.3Å; D426-R548 PolarHBondContact OD1-NH1 3.37Å |
| 427 | H | 91.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.3 | -29.2 | 176.2 | -76.8 | 67 | 0 | 0 | 0 | 112.1 | W423 I424 I425 Y429 S431 | W423-H427 AromaticContact CD1-CE1 3.86Å; W423-H427 AromaticContact CD2-CE1 3.69Å; W423-H427 AromaticContact CD2-ND1 3.68Å; W423-H427 AromaticContact CE2-CE1 3.1Å; W423-H427 AromaticContact CE2-ND1 3.6Å; W423-H427 AromaticContact CE2-NE2 3.73Å; W423-H427 AromaticContact CH2-NE2 3.95Å; W423-H427 AromaticContact CZ2-CE1 3.31Å; W423-H427 WeakPolarHBondContact CZ2-CE1 3.37Å; W423-H427 AromaticContact CZ2-ND1 3.9Å; W423-H427 AromaticContact CZ2-NE2 3.4Å; W423-H427 WeakPolarHBondContact CZ2-NE2 3.49Å; W423-H427 AromaticContact NE1-CE1 3.25Å; W423-H427 PolarHBondContact NE1-CE1 3.25Å; W423-H427 AromaticContact NE1-ND1 3.95Å; W423-H427 PolarHBondContact O-N 3.13Å; W423-H427 VanDerWaalsContact O-N 3.16Å; W423-H427 PolarHBondContact O-ND1 2.87Å; I424-H427 PolarHBondContact O-N 3.4Å; I425-H427 VanDerWaalsContact C-N 3.28Å; I425-H427 PolarHBondContact O-N 3.07Å; H427-Y429 PolarHBondContact O-N 3.3Å; H427-S431 PolarHBondContact CD2-OG 3.23Å; H427-S431 WeakPolarHBondContact O-CB 3.29Å; H427-S431 PolarHBondContact O-N 3.35Å; H427-S431 VanDerWaalsContact O-N 3.11Å |
| 428 | C | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -31.3 | 172.2 | -68.5 | 0 | 0 | 0 | 0 | 112.7 | I424 I425 D426 L462 Y466 R556 | I424-C428 PolarHBondContact O-N 3.01Å; I424-C428 PolarHBondContact O-SG 3.02Å; I425-C428 VanDerWaalsContact O-CB 3.26Å; I425-C428 WeakPolarHBondContact O-CB 3.48Å; I425-C428 PolarHBondContact O-N 3.3Å; D426-C428 VanDerWaalsContact C-N 3.29Å; D426-C428 PolarHBondContact O-N 3.36Å; C428-L462 HydrophobicContact CB-CD1 3.52Å; C428-Y466 HydrophobicContact CB-CE2 4.09Å; C428-R556 WeakPolarHBondContact O-CD 3.47Å; C428-R556 VanDerWaalsContact O-CZ 3.29Å; C428-R556 PolarHBondContact O-NE 2.83Å |
| 429 | Y | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -90.8 | -42.6 | 178.7 | -63.9 | -83.6 | 0 | 0 | 0 | 113.8 | I425 D426 H427 N461 L462 L465 R548 A552 R553 R556 M560 | I425-Y429 HydrophobicContact CG2-CD2 4.27Å; I425-Y429 HydrophobicContact CG2-CE2 3.73Å; I425-Y429 WeakPolarHBondContact O-CD2 3.33Å; D426-Y429 PolarHBondContact O-N 3.07Å; D426-Y429 VanDerWaalsContact O-N 3.14Å; H427-Y429 PolarHBondContact O-N 3.3Å; Y429-N461 PolarHBondContact OH-ND2 3.16Å; Y429-N461 VanDerWaalsContact OH-ND2 3.09Å; Y429-L462 HydrophobicContact CE2-CD1 4.08Å; Y429-L462 VanDerWaalsContact OH-CA 3.3Å; Y429-L462 WeakPolarHBondContact OH-CA 3.3Å; Y429-L462 PolarHBondContact OH-N 3.38Å; Y429-L465 HydrophobicContact CD1-CD2 3.7Å; Y429-L465 HydrophobicContact CE1-CD2 3.49Å; Y429-L465 VanDerWaalsContact CE1-CD2 3.49Å; Y429-R548 HydrophobicContact CD1-CB 3.95Å; Y429-R548 HydrophobicContact CD1-CG 4.43Å; Y429-R548 HydrophobicContact CD2-CB 4.46Å; Y429-R548 HydrophobicContact CD2-CG 4.21Å; Y429-R548 HydrophobicContact CE1-CB 4Å; Y429-R548 HydrophobicContact CE1-CG 4.18Å; Y429-R548 HydrophobicContact CE2-CG 3.99Å; Y429-R548 HydrophobicContact CG-CB 4.2Å; Y429-R548 HydrophobicContact CG-CG 4.45Å; Y429-A552 WeakPolarHBondContact O-CA 3.32Å; Y429-R553 PolarHBondContact O-N 3.09Å; Y429-R556 VanDerWaalsContact O-CD 3.27Å; Y429-R556 WeakPolarHBondContact O-CD 3.42Å; Y429-R556 PolarHBondContact O-NH1 3.19Å; Y429-M560 HydrophobicContact CD1-CE 4.2Å; Y429-M560 HydrophobicContact CD1-SD 3.87Å; Y429-M560 HydrophobicContact CE1-SD 3.65Å |
| 430 | S | 91.2 | Very high | 90 | Very high | 41 Ų | 41 | 21 Ų | 21 | 29% | 0.287 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -91.2 | -32.2 | -170.2 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | D426 R553 | D426-S430 WeakPolarHBondContact O-CB 3.38Å; D426-S430 PolarHBondContact O-N 2.87Å; D426-S430 PolarHBondContact O-OG 3.39Å; S430-R553 WeakPolarHBondContact O-CG 3.4Å; S430-R553 PolarHBondContact O-NE 3.01Å |
| 431 | S | 89.5 | Confident | 90.3 | Very high | 7 Ų | 7 | 23 Ų | 23 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -83.4 | 164.8 | -168.4 | -72.3 | 0 | 0 | 0 | 0 | 114.6 | H427 R553 R556 | H427-S431 PolarHBondContact CD2-OG 3.23Å; H427-S431 WeakPolarHBondContact O-CB 3.29Å; H427-S431 PolarHBondContact O-N 3.35Å; H427-S431 VanDerWaalsContact O-N 3.11Å; S431-R553 PolarHBondContact O-NE 2.81Å; S431-R556 PolarHBondContact O-NH1 3.19Å; S431-R556 PolarHBondContact O-NH2 3.16Å |
| 432 | P | 87.8 | Confident | 90.4 | Very high | 28 Ų | 28 | 22.6 Ų | 22.6 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | trans | -62.2 | 156.3 | 176 | 24.8 | -32.3 | 0 | 0 | 0 | 112.5 | H434 V435 A436 R553 | P432-H434 VanDerWaalsContact C-N 3.28Å; P432-H434 VanDerWaalsContact CG-CE1 3.45Å; P432-H434 WeakPolarHBondContact CG-CE1 3.42Å; P432-H434 PolarHBondContact O-N 3.26Å; P432-H434 VanDerWaalsContact O-N 3.14Å; P432-V435 HydrophobicContact CG-CB 4.15Å; P432-V435 HydrophobicContact CG-CG2 3.73Å; P432-V435 WeakPolarHBondContact O-CB 3.38Å; P432-V435 PolarHBondContact O-N 3.16Å; P432-A436 PolarHBondContact O-N 3.45Å; P432-R553 VanDerWaalsContact CA-NH1 3.26Å; P432-R553 VanDerWaalsContact CD-NH2 3.3Å; P432-R553 VanDerWaalsContact N-CZ 3.29Å | ||
| 433 | S | 88.6 | Confident | 90.5 | Very high | 69 Ų | 69 | 19.5 Ų | 19.5 | 48% | 0.483 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -50.2 | -44 | -172.1 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | V435 A436 D437 Y469 | S433-V435 PolarHBondContact O-N 3.45Å; S433-A436 PolarHBondContact O-N 3Å; S433-D437 WeakPolarHBondContact O-CB 3.45Å; S433-D437 PolarHBondContact O-N 3.36Å; S433-D437 VanDerWaalsContact O-OD1 3.11Å; S433-Y469 WeakPolarHBondContact CB-OH 3.15Å |
| 434 | H | 85.4 | Confident | 90.6 | Very high | 87 Ų | 87 | 17.9 Ų | 17.9 | 40% | 0.403 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -64.3 | -34.8 | 179.1 | 67.5 | -82.7 | 0 | 0 | 0 | 114.2 | P432 Q438 | P432-H434 VanDerWaalsContact C-N 3.28Å; P432-H434 VanDerWaalsContact CG-CE1 3.45Å; P432-H434 WeakPolarHBondContact CG-CE1 3.42Å; P432-H434 PolarHBondContact O-N 3.26Å; P432-H434 VanDerWaalsContact O-N 3.14Å; H434-Q438 VanDerWaalsContact O-CG 3.32Å; H434-Q438 WeakPolarHBondContact O-CG 3.29Å; H434-Q438 PolarHBondContact O-N 2.98Å; H434-Q438 PolarHBondContact O-NE2 2.83Å |
| 435 | V | 88.4 | Confident | 90.5 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -72.7 | -48.8 | 176.3 | 167.6 | 0 | 0 | 0 | 0 | 109.9 | V392 Q393 P432 S433 D437 Q438 C439 | V392-V435 HydrophobicContact CB-CG1 4.34Å; V392-V435 HydrophobicContact CG1-CB 4.04Å; V392-V435 HydrophobicContact CG1-CG1 3.57Å; V392-V435 HydrophobicContact CG1-CG2 4.07Å; Q393-V435 HydrophobicContact CG-CG2 4.18Å; P432-V435 HydrophobicContact CG-CB 4.15Å; P432-V435 HydrophobicContact CG-CG2 3.73Å; P432-V435 WeakPolarHBondContact O-CB 3.38Å; P432-V435 PolarHBondContact O-N 3.16Å; S433-V435 PolarHBondContact O-N 3.45Å; V435-D437 PolarHBondContact O-N 2.94Å; V435-Q438 PolarHBondContact O-N 2.99Å; V435-Q438 VanDerWaalsContact O-N 3.16Å; V435-C439 PolarHBondContact O-N 3.3Å; V435-C439 PolarHBondContact O-SG 2.96Å |
| 436 | A | 90.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.9 | -35.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P432 S433 F440 Y466 | P432-A436 PolarHBondContact O-N 3.45Å; S433-A436 PolarHBondContact O-N 3Å; A436-F440 VanDerWaalsContact O-CB 3.27Å; A436-F440 WeakPolarHBondContact O-CB 3.36Å; A436-F440 PolarHBondContact O-N 3.47Å; A436-Y466 WeakPolarHBondContact CB-OH 3.36Å; A436-Y466 PolarHBondContact O-OH 2.7Å |
| 437 | D | 90.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 174.7 | -78.6 | 1.4 | 0 | 0 | 0 | 112.1 | S433 V435 R441 Y469 L471 M474 | S433-D437 WeakPolarHBondContact O-CB 3.45Å; S433-D437 PolarHBondContact O-N 3.36Å; S433-D437 VanDerWaalsContact O-OD1 3.11Å; V435-D437 PolarHBondContact O-N 2.94Å; D437-R441 WeakPolarHBondContact O-CG 3.32Å; D437-R441 PolarHBondContact O-N 3.47Å; D437-Y469 WeakPolarHBondContact OD1-CE1 3.29Å; D437-Y469 PolarHBondContact OD1-OH 3.26Å; D437-L471 VanDerWaalsContact OD2-CD1 3.26Å; D437-L471 WeakPolarHBondContact OD2-CD1 3.38Å; D437-M474 VanDerWaalsContact CA-CE 3.43Å; D437-M474 HydrophobicContact CB-CE 3.21Å; D437-M474 WeakPolarHBondContact O-CE 3.47Å |
| 438 | Q | 88.8 | Confident | 90.2 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | 177.3 | -68.5 | 164.9 | 33.1 | 0 | 0 | 111.1 | V392 S400 S403 E404 H434 V435 F440 R441 A442 | V392-Q438 HydrophobicContact CG1-CB 4.46Å; S400-Q438 PolarHBondContact OG-NE2 2.93Å; S403-Q438 PolarHBondContact OG-OE1 3.33Å; S403-Q438 VanDerWaalsContact OG-OE1 3.04Å; E404-Q438 HydrophobicContact CB-CB 4.38Å; E404-Q438 HydrophobicContact CB-CG 4.44Å; H434-Q438 VanDerWaalsContact O-CG 3.32Å; H434-Q438 WeakPolarHBondContact O-CG 3.29Å; H434-Q438 PolarHBondContact O-N 2.98Å; H434-Q438 PolarHBondContact O-NE2 2.83Å; V435-Q438 PolarHBondContact O-N 2.99Å; V435-Q438 VanDerWaalsContact O-N 3.16Å; Q438-F440 PolarHBondContact O-N 3.16Å; Q438-R441 PolarHBondContact O-N 3.49Å; Q438-A442 WeakPolarHBondContact O-CB 3.47Å; Q438-A442 PolarHBondContact O-N 3.29Å |
| 439 | C | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | I424 V435 R441 A442 V443 | I424-C439 HydrophobicContact CG2-CB 3.74Å; V435-C439 PolarHBondContact O-N 3.3Å; V435-C439 PolarHBondContact O-SG 2.96Å; C439-R441 PolarHBondContact O-N 3.35Å; C439-A442 PolarHBondContact O-N 3.04Å; C439-V443 WeakPolarHBondContact O-CG2 3.32Å; C439-V443 PolarHBondContact O-N 3Å |
| 440 | F | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 179.3 | -180 | -105.5 | 0 | 0 | 0 | 112.5 | A436 Q438 V443 A444 L462 Y466 M474 L477 A478 L481 | A436-F440 VanDerWaalsContact O-CB 3.27Å; A436-F440 WeakPolarHBondContact O-CB 3.36Å; A436-F440 PolarHBondContact O-N 3.47Å; Q438-F440 PolarHBondContact O-N 3.16Å; F440-V443 PolarHBondContact O-N 2.88Å; F440-A444 HydrophobicContact CE1-CB 4.47Å; F440-A444 HydrophobicContact CZ-CB 4.47Å; F440-A444 VanDerWaalsContact O-CB 3.26Å; F440-A444 WeakPolarHBondContact O-CB 3.4Å; F440-A444 PolarHBondContact O-N 3.42Å; F440-L462 HydrophobicContact CD2-CD1 4.3Å; F440-L462 HydrophobicContact CD2-CD2 4.18Å; F440-L462 HydrophobicContact CD2-CG 4.05Å; F440-L462 HydrophobicContact CE2-CG 4.16Å; F440-Y466 HydrophobicContact CB-CD1 4.28Å; F440-Y466 HydrophobicContact CB-CE1 3.66Å; F440-Y466 HydrophobicContact CB-CE2 4.08Å; F440-Y466 AromaticContact CD1-CD1 3.55Å; F440-Y466 HydrophobicContact CD1-CD1 3.55Å; F440-Y466 HydrophobicContact CD1-CD2 4.5Å; F440-Y466 AromaticContact CD1-CE1 3.78Å; F440-Y466 HydrophobicContact CD1-CE1 3.78Å; F440-Y466 AromaticContact CD1-CG 3.91Å; F440-Y466 HydrophobicContact CD1-CG 3.91Å; F440-Y466 HydrophobicContact CD2-CD1 4.13Å; F440-Y466 AromaticContact CD2-CD2 3.6Å; F440-Y466 HydrophobicContact CD2-CD2 3.6Å; F440-Y466 HydrophobicContact CD2-CE1 4.24Å; F440-Y466 AromaticContact CD2-CE2 3.76Å; F440-Y466 HydrophobicContact CD2-CE2 3.76Å; F440-Y466 AromaticContact CD2-CG 3.78Å; F440-Y466 HydrophobicContact CD2-CG 3.78Å; F440-Y466 AromaticContact CE1-CD1 3.86Å; F440-Y466 HydrophobicContact CE1-CD1 3.86Å; F440-Y466 AromaticContact CE1-CG 3.9Å; F440-Y466 HydrophobicContact CE1-CG 3.9Å; F440-Y466 HydrophobicContact CE2-CD1 4.4Å; F440-Y466 AromaticContact CE2-CD2 3.81Å; F440-Y466 HydrophobicContact CE2-CD2 3.81Å; F440-Y466 HydrophobicContact CE2-CE2 4.43Å; F440-Y466 AromaticContact CE2-CG 3.77Å; F440-Y466 HydrophobicContact CE2-CG 3.77Å; F440-Y466 AromaticContact CG-CD1 3.7Å; F440-Y466 HydrophobicContact CG-CD1 3.7Å; F440-Y466 AromaticContact CG-CD2 3.98Å; F440-Y466 HydrophobicContact CG-CD2 3.98Å; F440-Y466 AromaticContact CG-CE1 3.61Å; F440-Y466 HydrophobicContact CG-CE1 3.61Å; F440-Y466 AromaticContact CG-CE2 3.94Å; F440-Y466 HydrophobicContact CG-CE2 3.94Å; F440-Y466 AromaticContact CG-CG 3.85Å; F440-Y466 HydrophobicContact CG-CG 3.85Å; F440-Y466 AromaticContact CG-CZ 3.72Å; F440-Y466 HydrophobicContact CZ-CD1 4.28Å; F440-Y466 HydrophobicContact CZ-CD2 4.35Å; F440-Y466 AromaticContact CZ-CG 3.84Å; F440-Y466 HydrophobicContact CZ-CG 3.84Å; F440-M474 HydrophobicContact CD1-SD 4.21Å; F440-L477 HydrophobicContact CE1-CB 4.13Å; F440-A478 HydrophobicContact CE1-CB 4.25Å; F440-A478 HydrophobicContact CZ-CB 3.72Å; F440-L481 HydrophobicContact CE2-CD2 4.22Å; F440-L481 HydrophobicContact CZ-CD2 4.46Å |
| 441 | R | 92.8 | Very high | 88.5 | Confident | 40 Ų | 40 | 35.5 Ų | 35.5 | 15% | 0.151 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 174 | -74.6 | -176.3 | -153.3 | 115 | 4.9 | 111.9 | E404 D437 Q438 C439 V443 A444 T445 M474 L477 | E404-R441 HydrophobicContact CG-CB 4.46Å; E404-R441 WeakPolarHBondContact OE1-CD 3.29Å; E404-R441 IonicContact OE2-CZ 2.78Å; E404-R441 IonicContact OE2-NH1 3.61Å; E404-R441 PolarHBondContact OE2-NH1 3.13Å; D437-R441 WeakPolarHBondContact O-CG 3.32Å; D437-R441 PolarHBondContact O-N 3.47Å; Q438-R441 PolarHBondContact O-N 3.49Å; C439-R441 PolarHBondContact O-N 3.35Å; R441-V443 VanDerWaalsContact C-N 3.33Å; R441-V443 PolarHBondContact O-N 3.43Å; R441-A444 PolarHBondContact O-N 3.02Å; R441-T445 WeakPolarHBondContact O-CB 3.19Å; R441-T445 WeakPolarHBondContact O-CG2 3.43Å; R441-T445 PolarHBondContact O-N 3.47Å; R441-T445 PolarHBondContact O-OG1 2.73Å; R441-M474 HydrophobicContact CG-CE 3.9Å; R441-M474 HydrophobicContact CG-SD 3.84Å; R441-L477 HydrophobicContact CG-CD1 4.07Å |
| 442 | A | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L407 T408 Q438 C439 T445 V446 | L407-A442 HydrophobicContact CB-CB 3.72Å; T408-A442 WeakPolarHBondContact OG1-CA 3.24Å; Q438-A442 WeakPolarHBondContact O-CB 3.47Å; Q438-A442 PolarHBondContact O-N 3.29Å; C439-A442 PolarHBondContact O-N 3.04Å; A442-T445 PolarHBondContact O-OG1 3.22Å; A442-V446 VanDerWaalsContact O-CG2 3.29Å; A442-V446 WeakPolarHBondContact O-CG2 3.4Å; A442-V446 PolarHBondContact O-N 2.96Å |
| 443 | V | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -53.4 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L411 L421 I424 C439 F440 R441 T445 V446 F447 M459 | L411-V443 HydrophobicContact CD1-CG2 4.17Å; L421-V443 HydrophobicContact CD1-CG2 4.49Å; I424-V443 HydrophobicContact CB-CG2 4.31Å; I424-V443 HydrophobicContact CG2-CG2 3.4Å; I424-V443 VanDerWaalsContact CG2-CG2 3.4Å; C439-V443 WeakPolarHBondContact O-CG2 3.32Å; C439-V443 PolarHBondContact O-N 3Å; F440-V443 PolarHBondContact O-N 2.88Å; R441-V443 VanDerWaalsContact C-N 3.33Å; R441-V443 PolarHBondContact O-N 3.43Å; V443-T445 VanDerWaalsContact C-N 3.33Å; V443-T445 PolarHBondContact O-N 3.11Å; V443-V446 PolarHBondContact O-N 2.95Å; V443-F447 HydrophobicContact CG1-CD2 3.84Å; V443-F447 HydrophobicContact CG1-CE2 3.84Å; V443-F447 WeakPolarHBondContact O-CD2 3.21Å; V443-F447 PolarHBondContact O-N 2.82Å; V443-M459 HydrophobicContact CG1-CE 3.53Å; V443-M459 HydrophobicContact CG1-SD 3.93Å |
| 444 | A | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | F440 R441 V446 F447 L448 L477 | F440-A444 HydrophobicContact CE1-CB 4.47Å; F440-A444 HydrophobicContact CZ-CB 4.47Å; F440-A444 VanDerWaalsContact O-CB 3.26Å; F440-A444 WeakPolarHBondContact O-CB 3.4Å; F440-A444 PolarHBondContact O-N 3.42Å; R441-A444 PolarHBondContact O-N 3.02Å; A444-V446 PolarHBondContact O-N 3.45Å; A444-F447 PolarHBondContact O-N 2.91Å; A444-L448 VanDerWaalsContact O-CB 3.3Å; A444-L448 WeakPolarHBondContact O-CB 3.39Å; A444-L448 WeakPolarHBondContact O-CD1 3.31Å; A444-L448 WeakPolarHBondContact O-CG 3.09Å; A444-L448 PolarHBondContact O-N 3.37Å; A444-L477 HydrophobicContact CB-CB 4.37Å |
| 445 | T | 89.4 | Confident | 87.5 | Confident | 45 Ų | 45 | 37.3 Ų | 37.3 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.6 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | T408 R441 A442 V443 L449 | T408-T445 WeakPolarHBondContact CG2-OG1 3.48Å; R441-T445 WeakPolarHBondContact O-CB 3.19Å; R441-T445 WeakPolarHBondContact O-CG2 3.43Å; R441-T445 PolarHBondContact O-N 3.47Å; R441-T445 PolarHBondContact O-OG1 2.73Å; A442-T445 PolarHBondContact O-OG1 3.22Å; V443-T445 VanDerWaalsContact C-N 3.33Å; V443-T445 PolarHBondContact O-N 3.11Å; T445-L449 WeakPolarHBondContact O-CB 3.29Å; T445-L449 WeakPolarHBondContact O-CD1 3.47Å; T445-L449 WeakPolarHBondContact O-CG 3.49Å; T445-L449 PolarHBondContact O-N 3.48Å |
| 446 | V | 88.5 | Confident | 87.4 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | T408 L411 A442 V443 A444 L449 R450 Y452 | T408-V446 HydrophobicContact CG2-CG2 3.87Å; L411-V446 HydrophobicContact CB-CG1 4.37Å; L411-V446 HydrophobicContact CB-CG2 3.89Å; L411-V446 HydrophobicContact CD1-CG2 4.32Å; A442-V446 VanDerWaalsContact O-CG2 3.29Å; A442-V446 WeakPolarHBondContact O-CG2 3.4Å; A442-V446 PolarHBondContact O-N 2.96Å; V443-V446 PolarHBondContact O-N 2.95Å; A444-V446 PolarHBondContact O-N 3.45Å; V446-L449 PolarHBondContact O-N 3.26Å; V446-R450 VanDerWaalsContact O-CG 3.31Å; V446-R450 WeakPolarHBondContact O-CG 3.48Å; V446-R450 PolarHBondContact O-N 3.26Å; V446-Y452 HydrophobicContact CG1-CD2 3.86Å; V446-Y452 HydrophobicContact CG1-CE2 4.29Å; V446-Y452 HydrophobicContact CG1-CG 4.41Å |
| 447 | F | 87.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.4 | -30.3 | -176.1 | -83.1 | -113.7 | 0 | 0 | 0 | 113.6 | L421 V443 A444 Y452 C454 M459 L481 R488 | L421-F447 HydrophobicContact CD1-CE2 3.92Å; L421-F447 HydrophobicContact CD1-CZ 4.04Å; L421-F447 HydrophobicContact CD2-CZ 4.15Å; V443-F447 HydrophobicContact CG1-CD2 3.84Å; V443-F447 HydrophobicContact CG1-CE2 3.84Å; V443-F447 WeakPolarHBondContact O-CD2 3.21Å; V443-F447 PolarHBondContact O-N 2.82Å; A444-F447 PolarHBondContact O-N 2.91Å; F447-Y452 HydrophobicContact CD2-CG 4.48Å; F447-Y452 HydrophobicContact CE1-CD1 4.3Å; F447-Y452 AromaticContact CE2-CD1 3.64Å; F447-Y452 HydrophobicContact CE2-CD1 3.64Å; F447-Y452 HydrophobicContact CE2-CE1 4.31Å; F447-Y452 AromaticContact CE2-CG 3.96Å; F447-Y452 HydrophobicContact CE2-CG 3.96Å; F447-Y452 AromaticContact CZ-CD1 3.49Å; F447-Y452 HydrophobicContact CZ-CD1 3.49Å; F447-Y452 VanDerWaalsContact CZ-CD1 3.49Å; F447-Y452 HydrophobicContact CZ-CE1 4.3Å; F447-Y452 HydrophobicContact CZ-CG 4.08Å; F447-C454 HydrophobicContact CE1-CB 3.54Å; F447-C454 VanDerWaalsContact CE1-SG 3.59Å; F447-C454 HydrophobicContact CZ-CB 3.68Å; F447-M459 HydrophobicContact CD1-CE 3.87Å; F447-M459 HydrophobicContact CD2-CE 4.46Å; F447-M459 HydrophobicContact CE1-CE 3.81Å; F447-M459 HydrophobicContact CE1-CG 3.88Å; F447-M459 HydrophobicContact CE1-SD 4.01Å; F447-M459 HydrophobicContact CE2-CE 4.4Å; F447-M459 HydrophobicContact CE2-SD 4.5Å; F447-M459 HydrophobicContact CG-CE 4.19Å; F447-M459 HydrophobicContact CZ-CE 4.07Å; F447-M459 HydrophobicContact CZ-CG 4.2Å; F447-M459 HydrophobicContact CZ-SD 3.9Å; F447-L481 HydrophobicContact CB-CD1 3.7Å; F447-L481 HydrophobicContact CD1-CD1 4.45Å; F447-L481 HydrophobicContact CG-CD1 4.38Å; F447-R488 PolarHBondContact O-NH2 3.48Å |
| 448 | L | 88.3 | Confident | 87.5 | Confident | 54 Ų | 54 | 39 Ų | 39 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -74.5 | -25.6 | 174.7 | -70 | 171.7 | 0 | 0 | 0 | 112.6 | A444 L477 E480 V484 | A444-L448 VanDerWaalsContact O-CB 3.3Å; A444-L448 WeakPolarHBondContact O-CB 3.39Å; A444-L448 WeakPolarHBondContact O-CD1 3.31Å; A444-L448 WeakPolarHBondContact O-CG 3.09Å; A444-L448 PolarHBondContact O-N 3.37Å; L448-L477 HydrophobicContact CD1-CD2 3.93Å; L448-E480 HydrophobicContact CD1-CB 4.4Å; L448-E480 HydrophobicContact CD2-CB 3.96Å; L448-V484 HydrophobicContact CD2-CG2 3.9Å |
| 449 | L | 83.7 | Confident | 87.6 | Confident | 146 Ų | 146 | 38.7 Ų | 38.7 | 76% | 0.764 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -87.9 | -24.9 | -178.4 | -71.6 | 171.4 | 0 | 0 | 0 | 113.9 | T445 V446 | T445-L449 WeakPolarHBondContact O-CB 3.29Å; T445-L449 WeakPolarHBondContact O-CD1 3.47Å; T445-L449 WeakPolarHBondContact O-CG 3.49Å; T445-L449 PolarHBondContact O-N 3.48Å; V446-L449 PolarHBondContact O-N 3.26Å |
| 450 | R | 79.7 | Confident | 87.5 | Confident | 72 Ų | 72 | 38.8 Ų | 38.8 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -154.2 | 168.1 | -175.2 | 61 | 177.5 | -174.6 | 177.3 | 8.7 | 113.6 | L411 E412 V446 Y452 R488 | L411-R450 PolarHBondContact O-NH2 3.42Å; E412-R450 PolarHBondContact O-NH1 2.83Å; E412-R450 PolarHBondContact O-NH2 2.98Å; V446-R450 VanDerWaalsContact O-CG 3.31Å; V446-R450 WeakPolarHBondContact O-CG 3.48Å; V446-R450 PolarHBondContact O-N 3.26Å; R450-Y452 PolarHBondContact O-N 3.08Å; R450-R488 VanDerWaalsContact C-NH2 3.35Å; R450-R488 PolarHBondContact O-NH1 3.25Å; R450-R488 PolarHBondContact O-NH2 3.4Å |
| 451 | E | 78.4 | Confident | 87.5 | Confident | 170 Ų | 170 | 38.8 Ų | 38.8 | 79% | 0.794 | 20% | 0.199 | S | C | * | . | trans | -76.4 | 112.6 | 167.5 | -68.4 | 171.7 | -168.6 | 0 | 0 | 108.8 | ||||
| 452 | Y | 81.9 | Confident | 87.5 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 19% | 0.192 | C | C | . | . | trans | -116.2 | 134 | -179.6 | -165.8 | -87.5 | 0 | 0 | 0 | 109.3 | S415 L421 V446 F447 R450 C454 | S415-Y452 WeakPolarHBondContact CA-OH 3.46Å; S415-Y452 PolarHBondContact O-OH 3.42Å; L421-Y452 HydrophobicContact CD2-CD1 4.43Å; L421-Y452 HydrophobicContact CD2-CE1 4.01Å; V446-Y452 HydrophobicContact CG1-CD2 3.86Å; V446-Y452 HydrophobicContact CG1-CE2 4.29Å; V446-Y452 HydrophobicContact CG1-CG 4.41Å; F447-Y452 HydrophobicContact CD2-CG 4.48Å; F447-Y452 HydrophobicContact CE1-CD1 4.3Å; F447-Y452 AromaticContact CE2-CD1 3.64Å; F447-Y452 HydrophobicContact CE2-CD1 3.64Å; F447-Y452 HydrophobicContact CE2-CE1 4.31Å; F447-Y452 AromaticContact CE2-CG 3.96Å; F447-Y452 HydrophobicContact CE2-CG 3.96Å; F447-Y452 AromaticContact CZ-CD1 3.49Å; F447-Y452 HydrophobicContact CZ-CD1 3.49Å; F447-Y452 VanDerWaalsContact CZ-CD1 3.49Å; F447-Y452 HydrophobicContact CZ-CE1 4.3Å; F447-Y452 HydrophobicContact CZ-CG 4.08Å; R450-Y452 PolarHBondContact O-N 3.08Å; Y452-C454 PolarHBondContact O-N 3.46Å | ||
| 453 | P | 79.9 | Confident | 87.6 | Confident | 85 Ų | 85 | 36.9 Ų | 36.9 | 55% | 0.552 | 19% | 0.192 | S | C | * | . | trans | -69 | 123.6 | 178 | 28.7 | -33.7 | 0 | 0 | 0 | 110.3 | ||||
| 454 | C | 82.6 | Confident | 87.6 | Confident | 33 Ų | 33 | 36.9 Ų | 36.9 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | trans | -149.6 | 161.5 | -179.9 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | L421 F447 Y452 F456 M459 | L421-C454 HydrophobicContact CD2-CB 3.99Å; F447-C454 HydrophobicContact CE1-CB 3.54Å; F447-C454 VanDerWaalsContact CE1-SG 3.59Å; F447-C454 HydrophobicContact CZ-CB 3.68Å; Y452-C454 PolarHBondContact O-N 3.46Å; C454-F456 PolarHBondContact O-N 3.03Å; C454-M459 HydrophobicContact CB-CG 3.73Å | ||
| 455 | D | 85.8 | Confident | 87.6 | Confident | 97 Ų | 97 | 37.1 Ų | 37.1 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | trans | -72 | 117.1 | 159.5 | -172.3 | -19.3 | 0 | 0 | 0 | 109.3 | I457 A458 M459 | D455-I457 VanDerWaalsContact C-N 3.28Å; D455-I457 PolarHBondContact O-N 3.42Å; D455-I457 PolarHBondContact OD1-N 3.3Å; D455-A458 HydrophobicContact CB-CB 4.1Å; D455-M459 WeakPolarHBondContact O-CB 3.48Å; D455-M459 PolarHBondContact O-N 2.77Å; D455-M459 VanDerWaalsContact O-N 3.12Å | ||
| 456 | F | 87.3 | Confident | 87.7 | Confident | 23 Ų | 23 | 35 Ų | 35 | 10% | 0.101 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.4 | -42.9 | 177.4 | 168.2 | -110 | 0 | 0 | 0 | 112.1 | C454 M459 F460 L485 F489 F490 I537 | C454-F456 PolarHBondContact O-N 3.03Å; F456-M459 PolarHBondContact O-N 3.33Å; F456-F460 HydrophobicContact CE2-CB 4.25Å; F456-F460 HydrophobicContact CE2-CD2 4.16Å; F456-F460 HydrophobicContact CZ-CB 4.25Å; F456-F460 AromaticContact CZ-CD2 3.89Å; F456-F460 HydrophobicContact CZ-CD2 3.89Å; F456-F460 HydrophobicContact CZ-CG 4.27Å; F456-F460 WeakPolarHBondContact O-CB 3.27Å; F456-F460 PolarHBondContact O-N 2.96Å; F456-L485 HydrophobicContact CE2-CB 4.18Å; F456-F489 HydrophobicContact CB-CD1 3.85Å; F456-F489 HydrophobicContact CB-CD2 4.24Å; F456-F489 HydrophobicContact CB-CE1 3.78Å; F456-F489 HydrophobicContact CB-CE2 4.17Å; F456-F489 HydrophobicContact CB-CG 4.08Å; F456-F489 HydrophobicContact CB-CZ 3.94Å; F456-F489 HydrophobicContact CD2-CB 3.69Å; F456-F489 HydrophobicContact CD2-CD1 4.06Å; F456-F489 AromaticContact CD2-CD2 3.23Å; F456-F489 HydrophobicContact CD2-CD2 3.23Å; F456-F489 AromaticContact CD2-CE2 3.79Å; F456-F489 HydrophobicContact CD2-CE2 3.79Å; F456-F489 AromaticContact CD2-CG 3.38Å; F456-F489 HydrophobicContact CD2-CG 3.38Å; F456-F489 HydrophobicContact CD2-CZ 4.39Å; F456-F489 HydrophobicContact CE2-CB 3.76Å; F456-F489 AromaticContact CE2-CD2 3.88Å; F456-F489 HydrophobicContact CE2-CD2 3.88Å; F456-F489 AromaticContact CE2-CG 3.98Å; F456-F489 HydrophobicContact CE2-CG 3.98Å; F456-F489 HydrophobicContact CG-CB 4.15Å; F456-F489 HydrophobicContact CG-CD1 4.02Å; F456-F489 HydrophobicContact CG-CD2 4.01Å; F456-F489 HydrophobicContact CG-CE1 4.41Å; F456-F489 HydrophobicContact CG-CE2 4.4Å; F456-F489 AromaticContact CG-CG 3.8Å; F456-F489 HydrophobicContact CG-CG 3.8Å; F456-F489 HydrophobicContact CZ-CB 4.33Å; F456-F490 HydrophobicContact CE1-CE2 4.24Å; F456-F490 AromaticContact CE1-CZ 3.83Å; F456-F490 HydrophobicContact CE1-CZ 3.83Å; F456-F490 HydrophobicContact CE2-CE2 4.22Å; F456-F490 HydrophobicContact CZ-CD2 4.44Å; F456-F490 AromaticContact CZ-CE2 3.46Å; F456-F490 HydrophobicContact CZ-CE2 3.46Å; F456-F490 VanDerWaalsContact CZ-CE2 3.46Å; F456-F490 AromaticContact CZ-CZ 3.52Å; F456-F490 HydrophobicContact CZ-CZ 3.52Å; F456-I537 HydrophobicContact CE1-CD1 4.31Å |
| 457 | I | 90.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 35.3 Ų | 35.3 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.4 | -44.2 | -173.3 | -60.2 | -63.9 | 0 | 0 | 0 | 110.5 | D455 F460 N461 I537 P540 I541 E544 | D455-I457 VanDerWaalsContact C-N 3.28Å; D455-I457 PolarHBondContact O-N 3.42Å; D455-I457 PolarHBondContact OD1-N 3.3Å; I457-F460 PolarHBondContact O-N 3.37Å; I457-N461 VanDerWaalsContact O-CB 3.25Å; I457-N461 WeakPolarHBondContact O-CB 3.26Å; I457-N461 PolarHBondContact O-N 3.47Å; I457-I537 HydrophobicContact CD1-CB 4.24Å; I457-I537 HydrophobicContact CD1-CG2 4.34Å; I457-P540 HydrophobicContact CB-CB 4.49Å; I457-P540 HydrophobicContact CD1-CB 3.65Å; I457-P540 HydrophobicContact CG1-CB 3.76Å; I457-P540 HydrophobicContact CG2-CB 3.97Å; I457-I541 HydrophobicContact CG2-CD1 4.19Å; I457-E544 HydrophobicContact CG2-CB 3.78Å; I457-E544 HydrophobicContact CG2-CG 4.19Å |
| 458 | A | 90.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D455 N461 L462 | D455-A458 HydrophobicContact CB-CB 4.1Å; A458-N461 PolarHBondContact O-N 3.22Å; A458-L462 WeakPolarHBondContact O-CB 3.48Å; A458-L462 PolarHBondContact O-N 3.3Å |
| 459 | M | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.6 | -40.1 | 178.9 | -77.6 | -56.4 | -55.3 | 0 | 0 | 113.2 | I425 V443 F447 C454 D455 F456 L462 A463 L481 L485 | I425-M459 HydrophobicContact CD1-SD 3.92Å; I425-M459 HydrophobicContact CG1-SD 4.48Å; V443-M459 HydrophobicContact CG1-CE 3.53Å; V443-M459 HydrophobicContact CG1-SD 3.93Å; F447-M459 HydrophobicContact CD1-CE 3.87Å; F447-M459 HydrophobicContact CD2-CE 4.46Å; F447-M459 HydrophobicContact CE1-CE 3.81Å; F447-M459 HydrophobicContact CE1-CG 3.88Å; F447-M459 HydrophobicContact CE1-SD 4.01Å; F447-M459 HydrophobicContact CE2-CE 4.4Å; F447-M459 HydrophobicContact CE2-SD 4.5Å; F447-M459 HydrophobicContact CG-CE 4.19Å; F447-M459 HydrophobicContact CZ-CE 4.07Å; F447-M459 HydrophobicContact CZ-CG 4.2Å; F447-M459 HydrophobicContact CZ-SD 3.9Å; C454-M459 HydrophobicContact CB-CG 3.73Å; D455-M459 WeakPolarHBondContact O-CB 3.48Å; D455-M459 PolarHBondContact O-N 2.77Å; D455-M459 VanDerWaalsContact O-N 3.12Å; F456-M459 PolarHBondContact O-N 3.33Å; M459-L462 PolarHBondContact O-N 2.99Å; M459-L462 HydrophobicContact SD-CD2 4.39Å; M459-A463 WeakPolarHBondContact O-CB 3.38Å; M459-A463 PolarHBondContact O-N 2.77Å; M459-L481 HydrophobicContact CE-CD1 4.26Å; M459-L481 HydrophobicContact CE-CD2 3.8Å; M459-L481 HydrophobicContact CE-CG 4.5Å; M459-L485 HydrophobicContact CB-CD1 4.02Å; M459-L485 HydrophobicContact CB-CD2 4.21Å |
| 460 | F | 91.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 175 | 179.5 | -85.5 | 0 | 0 | 0 | 110.8 | F456 I457 L462 A463 L464 M482 M530 I541 W567 | F456-F460 HydrophobicContact CE2-CB 4.25Å; F456-F460 HydrophobicContact CE2-CD2 4.16Å; F456-F460 HydrophobicContact CZ-CB 4.25Å; F456-F460 AromaticContact CZ-CD2 3.89Å; F456-F460 HydrophobicContact CZ-CD2 3.89Å; F456-F460 HydrophobicContact CZ-CG 4.27Å; F456-F460 WeakPolarHBondContact O-CB 3.27Å; F456-F460 PolarHBondContact O-N 2.96Å; I457-F460 PolarHBondContact O-N 3.37Å; F460-L462 VanDerWaalsContact C-N 3.31Å; F460-L462 PolarHBondContact O-N 3.15Å; F460-A463 PolarHBondContact O-N 2.73Å; F460-L464 HydrophobicContact CE1-CD2 4.19Å; F460-L464 WeakPolarHBondContact O-CB 3.26Å; F460-L464 PolarHBondContact O-N 2.96Å; F460-M482 HydrophobicContact CD2-CE 4.06Å; F460-M482 HydrophobicContact CD2-SD 3.31Å; F460-M482 WeakPolarHBondContact CD2-SD 3.4Å; F460-M482 HydrophobicContact CE2-CE 3.96Å; F460-M482 HydrophobicContact CE2-SD 3.23Å; F460-M482 WeakPolarHBondContact CE2-SD 3.26Å; F460-M482 HydrophobicContact CG-CE 4.43Å; F460-M482 HydrophobicContact CG-SD 4.18Å; F460-M482 HydrophobicContact CZ-CE 4.25Å; F460-M482 HydrophobicContact CZ-SD 4.07Å; F460-M530 HydrophobicContact CE2-CE 3.75Å; F460-M530 HydrophobicContact CZ-CB 4.11Å; F460-M530 HydrophobicContact CZ-CE 4.13Å; F460-M530 HydrophobicContact CZ-CG 4.08Å; F460-I541 HydrophobicContact CD1-CD1 3.34Å; F460-I541 HydrophobicContact CE1-CD1 3.72Å; F460-I541 HydrophobicContact CG-CD1 4.37Å; F460-W567 HydrophobicContact CE1-CH2 4.33Å; F460-W567 AromaticContact CE1-CZ2 3.91Å; F460-W567 HydrophobicContact CE1-CZ2 3.91Å; F460-W567 HydrophobicContact CZ-CH2 4.42Å; F460-W567 HydrophobicContact CZ-CZ2 4.16Å |
| 461 | N | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 177.2 | -173 | 49.3 | 0 | 0 | 0 | 111.8 | Y429 I457 A458 L464 L465 E544 V545 Y563 | Y429-N461 PolarHBondContact OH-ND2 3.16Å; Y429-N461 VanDerWaalsContact OH-ND2 3.09Å; I457-N461 VanDerWaalsContact O-CB 3.25Å; I457-N461 WeakPolarHBondContact O-CB 3.26Å; I457-N461 PolarHBondContact O-N 3.47Å; A458-N461 PolarHBondContact O-N 3.22Å; N461-L464 PolarHBondContact O-N 3.06Å; N461-L465 WeakPolarHBondContact O-CB 3.49Å; N461-L465 PolarHBondContact O-N 2.95Å; N461-E544 HydrophobicContact CB-CG 3.98Å; N461-V545 WeakPolarHBondContact OD1-CG2 3.4Å; N461-Y563 PolarHBondContact OD1-OH 3.04Å |
| 462 | L | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.2 | -179.2 | 63.1 | 0 | 0 | 0 | 111.7 | I425 C428 Y429 F440 A458 M459 F460 L465 Y466 | I425-L462 HydrophobicContact CG1-CD2 4.23Å; C428-L462 HydrophobicContact CB-CD1 3.52Å; Y429-L462 HydrophobicContact CE2-CD1 4.08Å; Y429-L462 VanDerWaalsContact OH-CA 3.3Å; Y429-L462 WeakPolarHBondContact OH-CA 3.3Å; Y429-L462 PolarHBondContact OH-N 3.38Å; F440-L462 HydrophobicContact CD2-CD1 4.3Å; F440-L462 HydrophobicContact CD2-CD2 4.18Å; F440-L462 HydrophobicContact CD2-CG 4.05Å; F440-L462 HydrophobicContact CE2-CG 4.16Å; A458-L462 WeakPolarHBondContact O-CB 3.48Å; A458-L462 PolarHBondContact O-N 3.3Å; M459-L462 PolarHBondContact O-N 2.99Å; M459-L462 HydrophobicContact SD-CD2 4.39Å; F460-L462 VanDerWaalsContact C-N 3.31Å; F460-L462 PolarHBondContact O-N 3.15Å; L462-L465 PolarHBondContact O-N 3.47Å; L462-Y466 HydrophobicContact CD1-CD2 3.82Å; L462-Y466 HydrophobicContact CD1-CE2 3.6Å; L462-Y466 HydrophobicContact CG-CD2 4.44Å; L462-Y466 WeakPolarHBondContact O-CD2 3.22Å; L462-Y466 PolarHBondContact O-N 3.04Å; L462-Y466 VanDerWaalsContact O-N 3.15Å |
| 463 | A | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | M459 F460 L465 Y466 V467 L481 M482 L485 | M459-A463 WeakPolarHBondContact O-CB 3.38Å; M459-A463 PolarHBondContact O-N 2.77Å; F460-A463 PolarHBondContact O-N 2.73Å; A463-L465 VanDerWaalsContact C-N 3.32Å; A463-L465 PolarHBondContact O-N 3.44Å; A463-Y466 PolarHBondContact O-N 2.99Å; A463-Y466 VanDerWaalsContact O-N 3.09Å; A463-V467 WeakPolarHBondContact O-CG2 3.31Å; A463-V467 PolarHBondContact O-N 3.43Å; A463-L481 HydrophobicContact CB-CD2 4.16Å; A463-L481 HydrophobicContact CB-CG 4.32Å; A463-M482 HydrophobicContact CB-CB 4.47Å; A463-M482 HydrophobicContact CB-CE 3.59Å; A463-M482 HydrophobicContact CB-SD 4.33Å; A463-L485 HydrophobicContact CB-CD1 4.39Å |
| 464 | L | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 179.3 | -171.4 | 59.2 | 0 | 0 | 0 | 112.2 | F460 N461 M482 Q523 Y563 | F460-L464 HydrophobicContact CE1-CD2 4.19Å; F460-L464 WeakPolarHBondContact O-CB 3.26Å; F460-L464 PolarHBondContact O-N 2.96Å; N461-L464 PolarHBondContact O-N 3.06Å; L464-M482 HydrophobicContact CB-CE 3.87Å; L464-M482 HydrophobicContact CD1-CE 4.43Å; L464-Q523 PolarHBondContact O-NE2 3.15Å; L464-Y563 HydrophobicContact CD2-CD2 3.37Å; L464-Y563 HydrophobicContact CD2-CE2 3.69Å; L464-Y563 HydrophobicContact CD2-CG 3.86Å; L464-Y563 HydrophobicContact CG-CD1 4.2Å; L464-Y563 HydrophobicContact CG-CD2 3.94Å; L464-Y563 HydrophobicContact CG-CE1 4.4Å; L464-Y563 HydrophobicContact CG-CE2 4.21Å; L464-Y563 HydrophobicContact CG-CG 3.96Å |
| 465 | L | 92.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 172.7 | 175.6 | 66.3 | 0 | 0 | 0 | 111.7 | Y429 N461 L462 A463 G468 Q523 R556 M560 Y563 | Y429-L465 HydrophobicContact CD1-CD2 3.7Å; Y429-L465 HydrophobicContact CE1-CD2 3.49Å; Y429-L465 VanDerWaalsContact CE1-CD2 3.49Å; N461-L465 WeakPolarHBondContact O-CB 3.49Å; N461-L465 PolarHBondContact O-N 2.95Å; L462-L465 PolarHBondContact O-N 3.47Å; A463-L465 VanDerWaalsContact C-N 3.32Å; A463-L465 PolarHBondContact O-N 3.44Å; L465-G468 PolarHBondContact O-N 3.25Å; L465-Q523 PolarHBondContact O-NE2 3.17Å; L465-R556 HydrophobicContact CD1-CB 4.25Å; L465-R556 HydrophobicContact CD2-CG 4.43Å; L465-M560 HydrophobicContact CD1-CG 3.96Å; L465-Y563 HydrophobicContact CB-CE1 4.31Å; L465-Y563 HydrophobicContact CD1-CE1 4.4Å |
| 466 | Y | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -78.4 | -16.7 | -175.5 | -83.8 | -97.8 | 0 | 0 | 0 | 114.3 | C428 A436 F440 L462 A463 G468 Y469 M474 | C428-Y466 HydrophobicContact CB-CE2 4.09Å; A436-Y466 WeakPolarHBondContact CB-OH 3.36Å; A436-Y466 PolarHBondContact O-OH 2.7Å; F440-Y466 HydrophobicContact CB-CD1 4.28Å; F440-Y466 HydrophobicContact CB-CE1 3.66Å; F440-Y466 HydrophobicContact CB-CE2 4.08Å; F440-Y466 AromaticContact CD1-CD1 3.55Å; F440-Y466 HydrophobicContact CD1-CD1 3.55Å; F440-Y466 HydrophobicContact CD1-CD2 4.5Å; F440-Y466 AromaticContact CD1-CE1 3.78Å; F440-Y466 HydrophobicContact CD1-CE1 3.78Å; F440-Y466 AromaticContact CD1-CG 3.91Å; F440-Y466 HydrophobicContact CD1-CG 3.91Å; F440-Y466 HydrophobicContact CD2-CD1 4.13Å; F440-Y466 AromaticContact CD2-CD2 3.6Å; F440-Y466 HydrophobicContact CD2-CD2 3.6Å; F440-Y466 HydrophobicContact CD2-CE1 4.24Å; F440-Y466 AromaticContact CD2-CE2 3.76Å; F440-Y466 HydrophobicContact CD2-CE2 3.76Å; F440-Y466 AromaticContact CD2-CG 3.78Å; F440-Y466 HydrophobicContact CD2-CG 3.78Å; F440-Y466 AromaticContact CE1-CD1 3.86Å; F440-Y466 HydrophobicContact CE1-CD1 3.86Å; F440-Y466 AromaticContact CE1-CG 3.9Å; F440-Y466 HydrophobicContact CE1-CG 3.9Å; F440-Y466 HydrophobicContact CE2-CD1 4.4Å; F440-Y466 AromaticContact CE2-CD2 3.81Å; F440-Y466 HydrophobicContact CE2-CD2 3.81Å; F440-Y466 HydrophobicContact CE2-CE2 4.43Å; F440-Y466 AromaticContact CE2-CG 3.77Å; F440-Y466 HydrophobicContact CE2-CG 3.77Å; F440-Y466 AromaticContact CG-CD1 3.7Å; F440-Y466 HydrophobicContact CG-CD1 3.7Å; F440-Y466 AromaticContact CG-CD2 3.98Å; F440-Y466 HydrophobicContact CG-CD2 3.98Å; F440-Y466 AromaticContact CG-CE1 3.61Å; F440-Y466 HydrophobicContact CG-CE1 3.61Å; F440-Y466 AromaticContact CG-CE2 3.94Å; F440-Y466 HydrophobicContact CG-CE2 3.94Å; F440-Y466 AromaticContact CG-CG 3.85Å; F440-Y466 HydrophobicContact CG-CG 3.85Å; F440-Y466 AromaticContact CG-CZ 3.72Å; F440-Y466 HydrophobicContact CZ-CD1 4.28Å; F440-Y466 HydrophobicContact CZ-CD2 4.35Å; F440-Y466 AromaticContact CZ-CG 3.84Å; F440-Y466 HydrophobicContact CZ-CG 3.84Å; L462-Y466 HydrophobicContact CD1-CD2 3.82Å; L462-Y466 HydrophobicContact CD1-CE2 3.6Å; L462-Y466 HydrophobicContact CG-CD2 4.44Å; L462-Y466 WeakPolarHBondContact O-CD2 3.22Å; L462-Y466 PolarHBondContact O-N 3.04Å; L462-Y466 VanDerWaalsContact O-N 3.15Å; A463-Y466 PolarHBondContact O-N 2.99Å; A463-Y466 VanDerWaalsContact O-N 3.09Å; Y466-G468 PolarHBondContact O-N 3.46Å; Y466-Y469 HydrophobicContact CD1-CD1 4.34Å; Y466-Y469 HydrophobicContact CD1-CD2 4.14Å; Y466-Y469 AromaticContact CD1-CG 3.97Å; Y466-Y469 HydrophobicContact CD1-CG 3.97Å; Y466-Y469 HydrophobicContact CE1-CD2 4.24Å; Y466-Y469 HydrophobicContact CE1-CE2 4.31Å; Y466-Y469 HydrophobicContact CE1-CG 4.35Å; Y466-Y469 WeakPolarHBondContact O-CB 3.39Å; Y466-Y469 PolarHBondContact O-N 3.02Å; Y466-Y469 VanDerWaalsContact O-N 3.09Å; Y466-M474 HydrophobicContact CD1-CB 4.11Å |
| 467 | V | 88.6 | Confident | 88.9 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -34.2 | 168.4 | 170 | 0 | 0 | 0 | 0 | 111.3 | A463 Y469 R475 A478 V479 Q523 L526 | A463-V467 WeakPolarHBondContact O-CG2 3.31Å; A463-V467 PolarHBondContact O-N 3.43Å; V467-Y469 VanDerWaalsContact C-N 3.32Å; V467-R475 WeakPolarHBondContact O-CD 3.46Å; V467-R475 WeakPolarHBondContact O-CG 3.18Å; V467-A478 HydrophobicContact CG2-CB 4.01Å; V467-V479 HydrophobicContact CG2-CG2 4.05Å; V467-Q523 HydrophobicContact CG1-CB 4.23Å; V467-L526 HydrophobicContact CG1-CD2 4.09Å; V467-L526 HydrophobicContact CG2-CD2 4.13Å |
| 468 | G | 84.7 | Confident | 88.9 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 3.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L465 Y466 | L465-G468 PolarHBondContact O-N 3.25Å; Y466-G468 PolarHBondContact O-N 3.46Å |
| 469 | Y | 87.6 | Confident | 88.8 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | trans | -73.5 | 146.4 | -169.4 | -156.1 | -107.8 | 0 | 0 | 0 | 113 | S433 D437 Y466 V467 L471 M474 R475 | S433-Y469 WeakPolarHBondContact CB-OH 3.15Å; D437-Y469 WeakPolarHBondContact OD1-CE1 3.29Å; D437-Y469 PolarHBondContact OD1-OH 3.26Å; Y466-Y469 HydrophobicContact CD1-CD1 4.34Å; Y466-Y469 HydrophobicContact CD1-CD2 4.14Å; Y466-Y469 AromaticContact CD1-CG 3.97Å; Y466-Y469 HydrophobicContact CD1-CG 3.97Å; Y466-Y469 HydrophobicContact CE1-CD2 4.24Å; Y466-Y469 HydrophobicContact CE1-CE2 4.31Å; Y466-Y469 HydrophobicContact CE1-CG 4.35Å; Y466-Y469 WeakPolarHBondContact O-CB 3.39Å; Y466-Y469 PolarHBondContact O-N 3.02Å; Y466-Y469 VanDerWaalsContact O-N 3.09Å; V467-Y469 VanDerWaalsContact C-N 3.32Å; Y469-L471 VanDerWaalsContact C-N 3.32Å; Y469-L471 HydrophobicContact CD1-CB 4.03Å; Y469-L471 HydrophobicContact CD1-CG 4.42Å; Y469-L471 HydrophobicContact CE1-CB 4.27Å; Y469-L471 HydrophobicContact CE1-CD1 4.05Å; Y469-L471 HydrophobicContact CE1-CG 4.19Å; Y469-L471 PolarHBondContact O-N 2.96Å; Y469-M474 HydrophobicContact CD1-CB 3.87Å; Y469-M474 HydrophobicContact CD1-CG 3.91Å; Y469-M474 HydrophobicContact CE1-CG 4.19Å; Y469-R475 WeakPolarHBondContact O-CD 3.45Å; Y469-R475 WeakPolarHBondContact O-CG 3.38Å; Y469-R475 PolarHBondContact O-NH1 3.29Å | ||
| 470 | P | 82.5 | Confident | 88.6 | Confident | 89 Ų | 89 | 39.4 Ų | 39.4 | 58% | 0.578 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -64.1 | -30.2 | -176.1 | 22 | -34.5 | 0 | 0 | 0 | 114.5 | R475 | P470-R475 PolarHBondContact O-NH1 3.18Å; P470-R475 VanDerWaalsContact O-NH1 3.07Å |
| 471 | L | 84.3 | Confident | 88.5 | Confident | 83 Ų | 83 | 39.3 Ų | 39.3 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -83.7 | 119.7 | -178.3 | -67.1 | 175.2 | 0 | 0 | 0 | 112.3 | D437 Y469 R473 M474 R475 | D437-L471 VanDerWaalsContact OD2-CD1 3.26Å; D437-L471 WeakPolarHBondContact OD2-CD1 3.38Å; Y469-L471 VanDerWaalsContact C-N 3.32Å; Y469-L471 HydrophobicContact CD1-CB 4.03Å; Y469-L471 HydrophobicContact CD1-CG 4.42Å; Y469-L471 HydrophobicContact CE1-CB 4.27Å; Y469-L471 HydrophobicContact CE1-CD1 4.05Å; Y469-L471 HydrophobicContact CE1-CG 4.19Å; Y469-L471 PolarHBondContact O-N 2.96Å; L471-R473 VanDerWaalsContact C-N 3.28Å; L471-R473 PolarHBondContact O-N 3.4Å; L471-M474 HydrophobicContact CB-CB 4.47Å; L471-M474 HydrophobicContact CB-CG 4.02Å; L471-M474 HydrophobicContact CD1-CG 4.48Å; L471-M474 PolarHBondContact O-N 3.06Å; L471-R475 PolarHBondContact O-N 3.46Å |
| 472 | N | 83.9 | Confident | 88.2 | Confident | 101 Ų | 101 | 39.6 Ų | 39.6 | 54% | 0.54 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -52.9 | -41.4 | -179.6 | -63.3 | 4.6 | 0 | 0 | 0 | 113.5 | M474 R475 N476 | N472-M474 VanDerWaalsContact C-N 3.26Å; N472-M474 PolarHBondContact O-N 3.2Å; N472-R475 PolarHBondContact O-N 2.94Å; N472-R475 PolarHBondContact OD1-NH2 2.79Å; N472-N476 PolarHBondContact O-N 3.26Å; N472-N476 VanDerWaalsContact O-N 3.09Å; N472-N476 PolarHBondContact O-OD1 3.31Å |
| 473 | R | 85 | Confident | 87.7 | Confident | 165 Ų | 165 | 44.5 Ų | 44.5 | 62% | 0.623 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.5 | -36.9 | 180 | -174.9 | 176.1 | 177.9 | -169.7 | -3.5 | 112.1 | L471 L477 | L471-R473 VanDerWaalsContact C-N 3.28Å; L471-R473 PolarHBondContact O-N 3.4Å; R473-L477 WeakPolarHBondContact O-CG 3.48Å; R473-L477 PolarHBondContact O-N 2.97Å |
| 474 | M | 86.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.6 | -39.9 | 179.1 | -59.4 | -47.2 | -156.9 | 0 | 0 | 112.1 | D437 F440 R441 Y466 Y469 L471 N472 N476 L477 A478 | D437-M474 VanDerWaalsContact CA-CE 3.43Å; D437-M474 HydrophobicContact CB-CE 3.21Å; D437-M474 WeakPolarHBondContact O-CE 3.47Å; F440-M474 HydrophobicContact CD1-SD 4.21Å; R441-M474 HydrophobicContact CG-CE 3.9Å; R441-M474 HydrophobicContact CG-SD 3.84Å; Y466-M474 HydrophobicContact CD1-CB 4.11Å; Y469-M474 HydrophobicContact CD1-CB 3.87Å; Y469-M474 HydrophobicContact CD1-CG 3.91Å; Y469-M474 HydrophobicContact CE1-CG 4.19Å; L471-M474 HydrophobicContact CB-CB 4.47Å; L471-M474 HydrophobicContact CB-CG 4.02Å; L471-M474 HydrophobicContact CD1-CG 4.48Å; L471-M474 PolarHBondContact O-N 3.06Å; N472-M474 VanDerWaalsContact C-N 3.26Å; N472-M474 PolarHBondContact O-N 3.2Å; M474-N476 VanDerWaalsContact C-N 3.32Å; M474-N476 PolarHBondContact O-N 2.85Å; M474-L477 PolarHBondContact O-N 3.48Å; M474-L477 HydrophobicContact SD-CD1 4.46Å; M474-A478 WeakPolarHBondContact O-CB 3.44Å; M474-A478 PolarHBondContact O-N 2.77Å |
| 475 | R | 86.9 | Confident | 87.1 | Confident | 47 Ų | 47 | 46 Ų | 46 | 18% | 0.177 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 176.3 | -65.7 | -161.5 | -62.9 | -97.5 | 7.1 | 111.6 | V467 Y469 P470 L471 N472 L477 A478 V479 | V467-R475 WeakPolarHBondContact O-CD 3.46Å; V467-R475 WeakPolarHBondContact O-CG 3.18Å; Y469-R475 WeakPolarHBondContact O-CD 3.45Å; Y469-R475 WeakPolarHBondContact O-CG 3.38Å; Y469-R475 PolarHBondContact O-NH1 3.29Å; P470-R475 PolarHBondContact O-NH1 3.18Å; P470-R475 VanDerWaalsContact O-NH1 3.07Å; L471-R475 PolarHBondContact O-N 3.46Å; N472-R475 PolarHBondContact O-N 2.94Å; N472-R475 PolarHBondContact OD1-NH2 2.79Å; R475-L477 PolarHBondContact O-N 3.41Å; R475-A478 PolarHBondContact O-N 3.21Å; R475-V479 WeakPolarHBondContact O-CG2 3.47Å; R475-V479 PolarHBondContact O-N 3.39Å |
| 476 | N | 88 | Confident | 86.4 | Confident | 101 Ų | 101 | 47.9 Ų | 47.9 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 179.1 | -66.9 | -2.3 | 0 | 0 | 0 | 111.4 | N472 M474 A478 V479 E480 | N472-N476 PolarHBondContact O-N 3.26Å; N472-N476 VanDerWaalsContact O-N 3.09Å; N472-N476 PolarHBondContact O-OD1 3.31Å; M474-N476 VanDerWaalsContact C-N 3.32Å; M474-N476 PolarHBondContact O-N 2.85Å; N476-A478 VanDerWaalsContact C-N 3.3Å; N476-A478 PolarHBondContact O-N 3.46Å; N476-V479 PolarHBondContact O-N 2.9Å; N476-E480 WeakPolarHBondContact O-CG 3.33Å; N476-E480 PolarHBondContact O-N 2.69Å |
| 477 | L | 89 | Confident | 85.9 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.9 | -39 | 174.8 | -74.5 | 170.3 | 0 | 0 | 0 | 112.2 | F440 R441 A444 L448 R473 M474 R475 L481 | F440-L477 HydrophobicContact CE1-CB 4.13Å; R441-L477 HydrophobicContact CG-CD1 4.07Å; A444-L477 HydrophobicContact CB-CB 4.37Å; L448-L477 HydrophobicContact CD1-CD2 3.93Å; R473-L477 WeakPolarHBondContact O-CG 3.48Å; R473-L477 PolarHBondContact O-N 2.97Å; M474-L477 PolarHBondContact O-N 3.48Å; M474-L477 HydrophobicContact SD-CD1 4.46Å; R475-L477 PolarHBondContact O-N 3.41Å; L477-L481 VanDerWaalsContact O-CB 3.25Å; L477-L481 WeakPolarHBondContact O-CB 3.33Å; L477-L481 PolarHBondContact O-N 2.75Å |
| 478 | A | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F440 V467 M474 R475 N476 L481 M482 | F440-A478 HydrophobicContact CE1-CB 4.25Å; F440-A478 HydrophobicContact CZ-CB 3.72Å; V467-A478 HydrophobicContact CG2-CB 4.01Å; M474-A478 WeakPolarHBondContact O-CB 3.44Å; M474-A478 PolarHBondContact O-N 2.77Å; R475-A478 PolarHBondContact O-N 3.21Å; N476-A478 VanDerWaalsContact C-N 3.3Å; N476-A478 PolarHBondContact O-N 3.46Å; A478-L481 PolarHBondContact O-N 3.36Å; A478-M482 WeakPolarHBondContact O-CB 3.22Å; A478-M482 PolarHBondContact O-N 2.8Å |
| 479 | V | 87.3 | Confident | 85.2 | Confident | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.345 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V467 R475 N476 L481 M482 Q483 | V467-V479 HydrophobicContact CG2-CG2 4.05Å; R475-V479 WeakPolarHBondContact O-CG2 3.47Å; R475-V479 PolarHBondContact O-N 3.39Å; N476-V479 PolarHBondContact O-N 2.9Å; V479-L481 VanDerWaalsContact C-N 3.35Å; V479-M482 WeakPolarHBondContact O-CB 3.44Å; V479-M482 PolarHBondContact O-N 3.2Å; V479-Q483 WeakPolarHBondContact O-CG 3.5Å; V479-Q483 PolarHBondContact O-N 3.19Å |
| 480 | E | 87.7 | Confident | 84.6 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.2 | -73.1 | 172.8 | -169.3 | 0 | 0 | 111.2 | L448 N476 M482 Q483 V484 | L448-E480 HydrophobicContact CD1-CB 4.4Å; L448-E480 HydrophobicContact CD2-CB 3.96Å; N476-E480 WeakPolarHBondContact O-CG 3.33Å; N476-E480 PolarHBondContact O-N 2.69Å; E480-M482 VanDerWaalsContact C-N 3.34Å; E480-M482 PolarHBondContact O-N 2.75Å; E480-Q483 PolarHBondContact O-N 3.33Å; E480-V484 WeakPolarHBondContact O-CG2 3.45Å; E480-V484 PolarHBondContact O-N 3.12Å; E480-V484 VanDerWaalsContact O-N 3.08Å |
| 481 | L | 89.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.9 | -179.9 | 61.4 | 0 | 0 | 0 | 111.5 | F440 F447 M459 A463 L477 A478 V479 V484 L485 | F440-L481 HydrophobicContact CE2-CD2 4.22Å; F440-L481 HydrophobicContact CZ-CD2 4.46Å; F447-L481 HydrophobicContact CB-CD1 3.7Å; F447-L481 HydrophobicContact CD1-CD1 4.45Å; F447-L481 HydrophobicContact CG-CD1 4.38Å; M459-L481 HydrophobicContact CE-CD1 4.26Å; M459-L481 HydrophobicContact CE-CD2 3.8Å; M459-L481 HydrophobicContact CE-CG 4.5Å; A463-L481 HydrophobicContact CB-CD2 4.16Å; A463-L481 HydrophobicContact CB-CG 4.32Å; L477-L481 VanDerWaalsContact O-CB 3.25Å; L477-L481 WeakPolarHBondContact O-CB 3.33Å; L477-L481 PolarHBondContact O-N 2.75Å; A478-L481 PolarHBondContact O-N 3.36Å; V479-L481 VanDerWaalsContact C-N 3.35Å; L481-V484 PolarHBondContact O-N 3.43Å; L481-L485 HydrophobicContact CD1-CD1 4.39Å; L481-L485 HydrophobicContact CD1-CG 4.33Å; L481-L485 HydrophobicContact CG-CD1 4.11Å; L481-L485 HydrophobicContact CG-CG 4.47Å; L481-L485 VanDerWaalsContact O-CG 3.27Å; L481-L485 WeakPolarHBondContact O-CG 3.44Å; L481-L485 PolarHBondContact O-N 3.48Å |
| 482 | M | 86.1 | Confident | 81.4 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.3 | -170.3 | 64.1 | 78.3 | 0 | 0 | 111.9 | F460 A463 L464 A478 V479 E480 V484 L485 E486 | F460-M482 HydrophobicContact CD2-CE 4.06Å; F460-M482 HydrophobicContact CD2-SD 3.31Å; F460-M482 WeakPolarHBondContact CD2-SD 3.4Å; F460-M482 HydrophobicContact CE2-CE 3.96Å; F460-M482 HydrophobicContact CE2-SD 3.23Å; F460-M482 WeakPolarHBondContact CE2-SD 3.26Å; F460-M482 HydrophobicContact CG-CE 4.43Å; F460-M482 HydrophobicContact CG-SD 4.18Å; F460-M482 HydrophobicContact CZ-CE 4.25Å; F460-M482 HydrophobicContact CZ-SD 4.07Å; A463-M482 HydrophobicContact CB-CB 4.47Å; A463-M482 HydrophobicContact CB-CE 3.59Å; A463-M482 HydrophobicContact CB-SD 4.33Å; L464-M482 HydrophobicContact CB-CE 3.87Å; L464-M482 HydrophobicContact CD1-CE 4.43Å; A478-M482 WeakPolarHBondContact O-CB 3.22Å; A478-M482 PolarHBondContact O-N 2.8Å; V479-M482 WeakPolarHBondContact O-CB 3.44Å; V479-M482 PolarHBondContact O-N 3.2Å; E480-M482 VanDerWaalsContact C-N 3.34Å; E480-M482 PolarHBondContact O-N 2.75Å; M482-V484 VanDerWaalsContact C-N 3.33Å; M482-V484 PolarHBondContact O-N 2.94Å; M482-L485 PolarHBondContact O-N 2.86Å; M482-E486 WeakPolarHBondContact O-CB 3.48Å; M482-E486 PolarHBondContact O-N 3.41Å |
| 483 | Q | 84.5 | Confident | 79.3 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.5 | -71.6 | 174 | -5.5 | 0 | 0 | 112.2 | V479 E480 E486 Q487 | V479-Q483 WeakPolarHBondContact O-CG 3.5Å; V479-Q483 PolarHBondContact O-N 3.19Å; E480-Q483 PolarHBondContact O-N 3.33Å; Q483-E486 PolarHBondContact O-N 3.42Å; Q483-Q487 WeakPolarHBondContact O-CB 3.36Å; Q483-Q487 VanDerWaalsContact O-CG 3.27Å; Q483-Q487 WeakPolarHBondContact O-CG 3.41Å; Q483-Q487 PolarHBondContact O-N 3.01Å |
| 484 | V | 84.9 | Confident | 77.2 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L448 E480 L481 M482 R488 | L448-V484 HydrophobicContact CD2-CG2 3.9Å; E480-V484 WeakPolarHBondContact O-CG2 3.45Å; E480-V484 PolarHBondContact O-N 3.12Å; E480-V484 VanDerWaalsContact O-N 3.08Å; L481-V484 PolarHBondContact O-N 3.43Å; M482-V484 VanDerWaalsContact C-N 3.33Å; M482-V484 PolarHBondContact O-N 2.94Å; V484-R488 HydrophobicContact CG1-CG 4.48Å; V484-R488 WeakPolarHBondContact O-CB 3.41Å; V484-R488 WeakPolarHBondContact O-CG 3.35Å; V484-R488 PolarHBondContact O-N 3.45Å; V484-R488 VanDerWaalsContact O-N 3.13Å |
| 485 | L | 85.2 | Confident | 74.6 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.2 | -70 | 172.2 | 0 | 0 | 0 | 111.1 | F456 M459 A463 L481 M482 R488 F489 | F456-L485 HydrophobicContact CE2-CB 4.18Å; M459-L485 HydrophobicContact CB-CD1 4.02Å; M459-L485 HydrophobicContact CB-CD2 4.21Å; A463-L485 HydrophobicContact CB-CD1 4.39Å; L481-L485 HydrophobicContact CD1-CD1 4.39Å; L481-L485 HydrophobicContact CD1-CG 4.33Å; L481-L485 HydrophobicContact CG-CD1 4.11Å; L481-L485 HydrophobicContact CG-CG 4.47Å; L481-L485 VanDerWaalsContact O-CG 3.27Å; L481-L485 WeakPolarHBondContact O-CG 3.44Å; L481-L485 PolarHBondContact O-N 3.48Å; M482-L485 PolarHBondContact O-N 2.86Å; L485-R488 PolarHBondContact O-N 2.88Å; L485-F489 HydrophobicContact CD2-CD2 4.27Å; L485-F489 HydrophobicContact CD2-CE2 3.88Å; L485-F489 WeakPolarHBondContact O-CD2 3.28Å; L485-F489 PolarHBondContact O-N 2.95Å |
| 486 | E | 79.8 | Confident | 71.7 | Confident | 46 Ų | 46 | 76 Ų | 76 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 178.5 | -168.4 | -176.6 | 175.7 | 0 | 0 | 111.4 | M482 Q483 R488 F489 F490 M530 | M482-E486 WeakPolarHBondContact O-CB 3.48Å; M482-E486 PolarHBondContact O-N 3.41Å; Q483-E486 PolarHBondContact O-N 3.42Å; E486-R488 VanDerWaalsContact C-N 3.26Å; E486-R488 PolarHBondContact O-N 3.49Å; E486-F489 PolarHBondContact O-N 3.18Å; E486-F490 HydrophobicContact CB-CD2 4.44Å; E486-F490 HydrophobicContact CG-CD2 3.93Å; E486-F490 WeakPolarHBondContact O-CB 3.49Å; E486-F490 PolarHBondContact O-N 2.98Å; E486-M530 HydrophobicContact CG-CE 4.39Å |
| 487 | Q | 79.8 | Confident | 68.8 | Low | 155 Ų | 155 | 81 Ų | 81 | 72% | 0.724 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.6 | -29 | 178 | -72.9 | 173.5 | 5.5 | 0 | 0 | 114 | Q483 | Q483-Q487 WeakPolarHBondContact O-CB 3.36Å; Q483-Q487 VanDerWaalsContact O-CG 3.27Å; Q483-Q487 WeakPolarHBondContact O-CG 3.41Å; Q483-Q487 PolarHBondContact O-N 3.01Å |
| 488 | R | 80.8 | Confident | 65.8 | Low | 93 Ų | 93 | 88 Ų | 88 | 35% | 0.351 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -84.3 | -36.7 | -177.4 | -78.5 | -179.8 | -178.5 | 174.2 | 6.7 | 113.2 | F447 R450 V484 L485 E486 | F447-R488 PolarHBondContact O-NH2 3.48Å; R450-R488 VanDerWaalsContact C-NH2 3.35Å; R450-R488 PolarHBondContact O-NH1 3.25Å; R450-R488 PolarHBondContact O-NH2 3.4Å; V484-R488 HydrophobicContact CG1-CG 4.48Å; V484-R488 WeakPolarHBondContact O-CB 3.41Å; V484-R488 WeakPolarHBondContact O-CG 3.35Å; V484-R488 PolarHBondContact O-N 3.45Å; V484-R488 VanDerWaalsContact O-N 3.13Å; L485-R488 PolarHBondContact O-N 2.88Å; E486-R488 VanDerWaalsContact C-N 3.26Å; E486-R488 PolarHBondContact O-N 3.49Å |
| 489 | F | 79.1 | Confident | 62.7 | Low | 97 Ų | 97 | 97 Ų | 97 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -107 | -19.2 | -170.3 | -69.5 | -83.8 | 0 | 0 | 0 | 113.7 | F456 L485 E486 | F456-F489 HydrophobicContact CB-CD1 3.85Å; F456-F489 HydrophobicContact CB-CD2 4.24Å; F456-F489 HydrophobicContact CB-CE1 3.78Å; F456-F489 HydrophobicContact CB-CE2 4.17Å; F456-F489 HydrophobicContact CB-CG 4.08Å; F456-F489 HydrophobicContact CB-CZ 3.94Å; F456-F489 HydrophobicContact CD2-CB 3.69Å; F456-F489 HydrophobicContact CD2-CD1 4.06Å; F456-F489 AromaticContact CD2-CD2 3.23Å; F456-F489 HydrophobicContact CD2-CD2 3.23Å; F456-F489 AromaticContact CD2-CE2 3.79Å; F456-F489 HydrophobicContact CD2-CE2 3.79Å; F456-F489 AromaticContact CD2-CG 3.38Å; F456-F489 HydrophobicContact CD2-CG 3.38Å; F456-F489 HydrophobicContact CD2-CZ 4.39Å; F456-F489 HydrophobicContact CE2-CB 3.76Å; F456-F489 AromaticContact CE2-CD2 3.88Å; F456-F489 HydrophobicContact CE2-CD2 3.88Å; F456-F489 AromaticContact CE2-CG 3.98Å; F456-F489 HydrophobicContact CE2-CG 3.98Å; F456-F489 HydrophobicContact CG-CB 4.15Å; F456-F489 HydrophobicContact CG-CD1 4.02Å; F456-F489 HydrophobicContact CG-CD2 4.01Å; F456-F489 HydrophobicContact CG-CE1 4.41Å; F456-F489 HydrophobicContact CG-CE2 4.4Å; F456-F489 AromaticContact CG-CG 3.8Å; F456-F489 HydrophobicContact CG-CG 3.8Å; F456-F489 HydrophobicContact CZ-CB 4.33Å; L485-F489 HydrophobicContact CD2-CD2 4.27Å; L485-F489 HydrophobicContact CD2-CE2 3.88Å; L485-F489 WeakPolarHBondContact O-CD2 3.28Å; L485-F489 PolarHBondContact O-N 2.95Å; E486-F489 PolarHBondContact O-N 3.18Å |
| 490 | F | 75.4 | Confident | 59.9 | Low | 34 Ų | 34 | 102.7 Ų | 102.7 | 15% | 0.149 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -112.1 | 129 | 174 | -57.4 | -66.5 | 0 | 0 | 0 | 110.7 | F456 E486 M530 H534 I537 | F456-F490 HydrophobicContact CE1-CE2 4.24Å; F456-F490 AromaticContact CE1-CZ 3.83Å; F456-F490 HydrophobicContact CE1-CZ 3.83Å; F456-F490 HydrophobicContact CE2-CE2 4.22Å; F456-F490 HydrophobicContact CZ-CD2 4.44Å; F456-F490 AromaticContact CZ-CE2 3.46Å; F456-F490 HydrophobicContact CZ-CE2 3.46Å; F456-F490 VanDerWaalsContact CZ-CE2 3.46Å; F456-F490 AromaticContact CZ-CZ 3.52Å; F456-F490 HydrophobicContact CZ-CZ 3.52Å; E486-F490 HydrophobicContact CB-CD2 4.44Å; E486-F490 HydrophobicContact CG-CD2 3.93Å; E486-F490 WeakPolarHBondContact O-CB 3.49Å; E486-F490 PolarHBondContact O-N 2.98Å; F490-M530 HydrophobicContact CE2-CE 4.35Å; F490-H534 AromaticContact CD1-CE1 3.19Å; F490-H534 WeakPolarHBondContact CD1-CE1 3.28Å; F490-H534 AromaticContact CD1-ND1 3.41Å; F490-H534 WeakPolarHBondContact CD1-ND1 3.49Å; F490-H534 AromaticContact CD1-NE2 3.78Å; F490-H534 AromaticContact CD2-CE1 3.93Å; F490-H534 AromaticContact CD2-NE2 3.65Å; F490-H534 HydrophobicContact CE1-CB 4.23Å; F490-H534 AromaticContact CE1-CD2 3.96Å; F490-H534 AromaticContact CE1-CE1 3.5Å; F490-H534 VanDerWaalsContact CE1-CE1 3.5Å; F490-H534 WeakPolarHBondContact CE1-CE1 3.4Å; F490-H534 AromaticContact CE1-CG 3.55Å; F490-H534 AromaticContact CE1-ND1 3.24Å; F490-H534 WeakPolarHBondContact CE1-ND1 3.4Å; F490-H534 AromaticContact CE1-NE2 3.94Å; F490-H534 AromaticContact CE2-CD2 3.79Å; F490-H534 AromaticContact CE2-NE2 3.81Å; F490-H534 AromaticContact CG-CE1 3.43Å; F490-H534 VanDerWaalsContact CG-CE1 3.43Å; F490-H534 WeakPolarHBondContact CG-CE1 3.41Å; F490-H534 AromaticContact CG-NE2 3.62Å; F490-H534 HydrophobicContact CZ-CB 4.16Å; F490-H534 AromaticContact CZ-CD2 3.7Å; F490-H534 AromaticContact CZ-CE1 3.98Å; F490-H534 AromaticContact CZ-CG 3.59Å; F490-H534 AromaticContact CZ-ND1 3.78Å; F490-H534 AromaticContact CZ-NE2 3.95Å; F490-I537 HydrophobicContact CZ-CD1 4.14Å |
| 491 | D | 53.9 | Low | 57.2 | Low | 144 Ų | 144 | 105.4 Ų | 105.4 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | trans | -62.1 | 138.2 | 177.7 | -90 | -31.2 | 0 | 0 | 0 | 111.3 | S493 A494 | D491-S493 PolarHBondContact O-N 3.24Å; D491-A494 PolarHBondContact O-N 3.5Å | ||
| 492 | E | 44.5 | Very low | 54.3 | Low | 189 Ų | 189 | 108.8 Ų | 108.8 | 88% | 0.883 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -47.8 | -14.7 | -179.6 | -87 | -171.7 | 149.3 | 0 | 0 | 115.3 | A494 L495 | E492-A494 PolarHBondContact O-N 3.47Å; E492-L495 PolarHBondContact O-N 2.93Å |
| 493 | S | 39.2 | Very low | 51.5 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -62.2 | -20.8 | -176.7 | -51.3 | 0 | 0 | 0 | 0 | 114.5 | D491 | D491-S493 PolarHBondContact O-N 3.24Š|
| 494 | A | 41.1 | Very low | 49.2 | Very low | 57 Ų | 57 | 120.6 Ų | 120.6 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -79 | -17.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D491 E492 | D491-A494 PolarHBondContact O-N 3.5Å; E492-A494 PolarHBondContact O-N 3.47Å |
| 495 | L | 32.5 | Very low | 46.8 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -102.1 | 8 | -172.8 | -76.7 | 169.9 | 0 | 0 | 0 | 115.8 | E492 Y497 | E492-L495 PolarHBondContact O-N 2.93Å; L495-Y497 VanDerWaalsContact C-N 3.29Å; L495-Y497 PolarHBondContact O-N 3.4Å |
| 496 | C | 27 | Very low | 44.2 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -88.6 | 57 | 168.9 | -87.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 497 | Y | 25.7 | Very low | 41.6 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -117.3 | 102.2 | 159.2 | -97.4 | -87.4 | 0 | 0 | 0 | 110.4 | L495 | L495-Y497 VanDerWaalsContact C-N 3.29Å; L495-Y497 PolarHBondContact O-N 3.4Å |
| 498 | Q | 26.1 | Very low | 39.2 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 72.3 | 70 | 157.1 | -58 | -177.5 | -6.8 | 0 | 0 | 117.3 | ||||
| 499 | H | 27.9 | Very low | 37 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | trans | -101.3 | 61.8 | 148 | -149.3 | -68.5 | 0 | 0 | 0 | 109.7 | ||||
| 500 | E | 27.4 | Very low | 34.6 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -111.2 | 103.3 | 163.2 | -79.2 | -149.7 | 146.1 | 0 | 0 | 110.3 | ||||
| 501 | N | 30.5 | Very low | 32.6 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 47.9 | 95 | 142.9 | -59.8 | -26.4 | 0 | 0 | 0 | 118.1 | ||
| 502 | G | 28.5 | Very low | 31.5 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 172.7 | 92.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 503 | D | 28.6 | Very low | 31 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 70.8 | 90.3 | 162.2 | -59.5 | -21.9 | 0 | 0 | 0 | 118.4 | S505 | D503-S505 PolarHBondContact O-N 3Š| ||
| 504 | E | 34.7 | Very low | 30.7 | Very low | 207 Ų | 207 | 144.9 Ų | 144.9 | 97% | 0.967 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 50.5 | 171.4 | -67.2 | -174.8 | 130.6 | 0 | 0 | 115.4 | ||
| 505 | S | 34.7 | Very low | 30.5 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141 | 13.4 | 176.4 | 54.5 | 0 | 0 | 0 | 0 | 116.8 | D503 | D503-S505 PolarHBondContact O-N 3Š|
| 506 | S | 30.2 | Very low | 30.6 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -119.1 | -8.6 | 175.8 | -160.7 | 0 | 0 | 0 | 0 | 115.9 | R508 | S506-R508 VanDerWaalsContact C-N 3.31Å; S506-R508 PolarHBondContact O-N 3.24Å; S506-R508 VanDerWaalsContact O-N 3.07Å |
| 507 | S | 27.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -89.3 | 61.5 | 176.6 | -172.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 508 | R | 29.2 | Very low | 32.4 | Very low | 224 Ų | 224 | 143.9 Ų | 143.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -139.2 | 114.2 | 150.4 | -82.9 | -171.8 | 178.1 | 162.6 | 0.8 | 106.3 | S506 V510 | S506-R508 VanDerWaalsContact C-N 3.31Å; S506-R508 PolarHBondContact O-N 3.24Å; S506-R508 VanDerWaalsContact O-N 3.07Å; R508-V510 PolarHBondContact O-N 3.37Å |
| 509 | V | 34.7 | Very low | 33.7 | Very low | 138 Ų | 138 | 141 Ų | 141 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -35 | 105.1 | 170.4 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | V511 | V509-V511 VanDerWaalsContact C-N 3.34Å; V509-V511 PolarHBondContact O-N 3.19Å | ||
| 510 | V | 28.1 | Very low | 35.2 | Very low | 116 Ų | 116 | 135 Ų | 135 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | -65.8 | 101.2 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 105.2 | R508 D512 | R508-V510 PolarHBondContact O-N 3.37Å; V510-D512 HydrophobicContact CG1-CB 4.44Å; V510-D512 PolarHBondContact O-N 2.87Å | ||
| 511 | V | 34 | Very low | 37.1 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | trans | -68.7 | 85.3 | 163.6 | 179 | 0 | 0 | 0 | 0 | 105.3 | V509 Q513 | V509-V511 VanDerWaalsContact C-N 3.34Å; V509-V511 PolarHBondContact O-N 3.19Å; V511-Q513 PolarHBondContact O-N 2.79Å | ||
| 512 | D | 29.4 | Very low | 39.2 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -65.9 | 118.4 | 173 | -137.1 | 1.1 | 0 | 0 | 0 | 107.3 | V510 D514 | V510-D512 HydrophobicContact CG1-CB 4.44Å; V510-D512 PolarHBondContact O-N 2.87Å; D512-D514 PolarHBondContact O-N 3.48Å | ||
| 513 | Q | 34.5 | Very low | 42 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | trans | -76.4 | 51.5 | -175.3 | -74.1 | -179 | -4.5 | 0 | 0 | 112.1 | V511 | V511-Q513 PolarHBondContact O-N 2.79Š| ||
| 514 | D | 32.7 | Very low | 44.7 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | trans | -103.5 | 78.9 | 162.2 | -90.9 | -15.9 | 0 | 0 | 0 | 108.9 | D512 S516 | D512-D514 PolarHBondContact O-N 3.48Å; D514-S516 PolarHBondContact O-N 2.9Å | ||
| 515 | D | 38 | Very low | 47.1 | Very low | 151 Ų | 151 | 116.8 Ų | 116.8 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | trans | -60.4 | 91 | 171.2 | -84.6 | -35.4 | 0 | 0 | 0 | 110.2 | ||||
| 516 | S | 34.1 | Very low | 49.4 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 64% | 0.643 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 160 | 125.7 | 131 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | D514 | D514-S516 PolarHBondContact O-N 2.9Š|
| 517 | L | 40 | Very low | 52.2 | Low | 146 Ų | 146 | 108.3 Ų | 108.3 | 76% | 0.764 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 108.1 | -2.9 | 155.2 | -56.2 | 167.2 | 0 | 0 | 0 | 121.5 | ||
| 518 | N | 50.8 | Low | 55.1 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | trans | -124.3 | 42.7 | -178.9 | -74.4 | -28.6 | 0 | 0 | 0 | 116 | T520 K521 | N518-T520 PolarHBondContact O-N 3.17Å; N518-T520 VanDerWaalsContact O-N 3.09Å; N518-K521 HydrophobicContact CB-CD 4.49Å; N518-K521 PolarHBondContact O-N 2.83Å | ||
| 519 | F | 53 | Low | 57.7 | Low | 114 Ų | 114 | 100.6 Ų | 100.6 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.3 | 179.8 | -58.1 | -72.8 | 0 | 0 | 0 | 115.4 | P522 | F519-P522 WeakPolarHBondContact O-CD 3.24Š|
| 520 | T | 59.7 | Low | 60.1 | Low | 63 Ų | 63 | 94.2 Ų | 94.2 | 39% | 0.387 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -21.9 | -178.8 | 49.8 | 0 | 0 | 0 | 0 | 114 | N518 Q523 L524 | N518-T520 PolarHBondContact O-N 3.17Å; N518-T520 VanDerWaalsContact O-N 3.09Å; T520-Q523 PolarHBondContact O-N 3.24Å; T520-L524 PolarHBondContact O-N 2.89Å; T520-L524 VanDerWaalsContact O-N 3.11Å |
| 521 | K | 66.8 | Low | 62.9 | Low | 141 Ų | 141 | 88.9 Ų | 88.9 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.1 | -45.1 | -177.4 | -73.7 | -176.5 | 178.4 | -178.9 | 0 | 114.4 | N518 Q523 L524 L525 | N518-K521 HydrophobicContact CB-CD 4.49Å; N518-K521 PolarHBondContact O-N 2.83Å; K521-Q523 VanDerWaalsContact C-N 3.33Å; K521-Q523 PolarHBondContact O-N 3.26Å; K521-L524 PolarHBondContact O-N 3.07Å; K521-L525 WeakPolarHBondContact O-CB 3.46Å; K521-L525 PolarHBondContact O-N 2.54Å |
| 522 | P | 75.3 | Confident | 65.3 | Low | 81 Ų | 81 | 87.2 Ų | 87.2 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 178.5 | -20.7 | 33 | 0 | 0 | 0 | 112.9 | F519 L525 L526 | F519-P522 WeakPolarHBondContact O-CD 3.24Å; P522-L525 PolarHBondContact O-N 3.13Å; P522-L526 WeakPolarHBondContact O-CB 3.4Å; P522-L526 PolarHBondContact O-N 2.86Å |
| 523 | Q | 86.5 | Confident | 67.7 | Low | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.005 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 177.3 | -177.1 | -174.9 | 38.7 | 0 | 0 | 111 | L464 L465 V467 T520 K521 S527 S559 Y563 | L464-Q523 PolarHBondContact O-NE2 3.15Å; L465-Q523 PolarHBondContact O-NE2 3.17Å; V467-Q523 HydrophobicContact CG1-CB 4.23Å; T520-Q523 PolarHBondContact O-N 3.24Å; K521-Q523 VanDerWaalsContact C-N 3.33Å; K521-Q523 PolarHBondContact O-N 3.26Å; Q523-S527 WeakPolarHBondContact O-CB 2.99Å; Q523-S527 PolarHBondContact O-N 3.35Å; Q523-S559 PolarHBondContact NE2-OG 3.12Å; Q523-S559 PolarHBondContact OE1-OG 3.22Å; Q523-S559 VanDerWaalsContact OE1-OG 3.1Å; Q523-Y563 HydrophobicContact CG-CD1 4.48Å |
| 524 | L | 85.7 | Confident | 70.1 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 178.5 | -174.3 | 67.5 | 0 | 0 | 0 | 111.8 | T520 K521 L526 S527 E528 P566 | T520-L524 PolarHBondContact O-N 2.89Å; T520-L524 VanDerWaalsContact O-N 3.11Å; K521-L524 PolarHBondContact O-N 3.07Å; L524-L526 PolarHBondContact O-N 2.92Å; L524-S527 WeakPolarHBondContact O-CB 3.43Å; L524-S527 PolarHBondContact O-N 3.18Å; L524-E528 WeakPolarHBondContact O-CB 3.17Å; L524-E528 PolarHBondContact O-N 3.36Å; L524-P566 HydrophobicContact CD1-CG 3.66Å |
| 525 | L | 83.7 | Confident | 72.4 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 52% | 0.518 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.6 | -165.2 | 100.6 | 0 | 0 | 0 | 111.7 | K521 P522 E528 Q529 | K521-L525 WeakPolarHBondContact O-CB 3.46Å; K521-L525 PolarHBondContact O-N 2.54Å; P522-L525 PolarHBondContact O-N 3.13Å; L525-E528 PolarHBondContact O-N 3.37Å; L525-Q529 WeakPolarHBondContact O-CG 3.48Å; L525-Q529 PolarHBondContact O-N 2.94Å |
| 526 | L | 83.9 | Confident | 74.5 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.1 | -176.1 | 66.7 | 0 | 0 | 0 | 110.7 | V467 P522 L524 E528 Q529 M530 | V467-L526 HydrophobicContact CG1-CD2 4.09Å; V467-L526 HydrophobicContact CG2-CD2 4.13Å; P522-L526 WeakPolarHBondContact O-CB 3.4Å; P522-L526 PolarHBondContact O-N 2.86Å; L524-L526 PolarHBondContact O-N 2.92Å; L526-E528 VanDerWaalsContact C-N 3.29Å; L526-E528 PolarHBondContact O-N 3.28Å; L526-Q529 PolarHBondContact O-N 3.36Å; L526-M530 HydrophobicContact CG-CG 4.5Å; L526-M530 VanDerWaalsContact O-CG 3.31Å; L526-M530 WeakPolarHBondContact O-CG 3.13Å; L526-M530 PolarHBondContact O-N 3.32Å |
| 527 | S | 90 | Very high | 77.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59 | -41.2 | 176.2 | -166.5 | 0 | 0 | 0 | 0 | 112.1 | Q523 L524 M530 S531 Y563 W567 | Q523-S527 WeakPolarHBondContact O-CB 2.99Å; Q523-S527 PolarHBondContact O-N 3.35Å; L524-S527 WeakPolarHBondContact O-CB 3.43Å; L524-S527 PolarHBondContact O-N 3.18Å; S527-M530 PolarHBondContact O-N 2.88Å; S527-S531 WeakPolarHBondContact O-CB 3.2Å; S527-S531 PolarHBondContact O-N 3.47Å; S527-S531 PolarHBondContact O-OG 2.99Å; S527-Y563 PolarHBondContact OG-O 3.04Å; S527-W567 PolarHBondContact OG-NE1 3.38Å |
| 528 | E | 87.3 | Confident | 79.5 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 41% | 0.407 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 175.9 | -175.6 | 175.5 | -171.8 | 0 | 0 | 111.5 | L524 L525 L526 M530 S531 Q532 P566 | L524-E528 WeakPolarHBondContact O-CB 3.17Å; L524-E528 PolarHBondContact O-N 3.36Å; L525-E528 PolarHBondContact O-N 3.37Å; L526-E528 VanDerWaalsContact C-N 3.29Å; L526-E528 PolarHBondContact O-N 3.28Å; E528-M530 PolarHBondContact O-N 3.43Å; E528-S531 PolarHBondContact O-N 3.39Å; E528-S531 PolarHBondContact O-OG 3.25Å; E528-Q532 VanDerWaalsContact O-CG 3.25Å; E528-Q532 WeakPolarHBondContact O-CG 3.33Å; E528-Q532 PolarHBondContact O-N 2.9Å; E528-Q532 VanDerWaalsContact O-N 3.12Å; E528-P566 HydrophobicContact CB-CB 4.11Å; E528-P566 HydrophobicContact CB-CG 4.14Å |
| 529 | Q | 84.4 | Confident | 81.4 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 175.1 | -72.5 | 177.1 | -25.5 | 0 | 0 | 112.1 | L525 L526 Q532 L533 | L525-Q529 WeakPolarHBondContact O-CG 3.48Å; L525-Q529 PolarHBondContact O-N 2.94Å; L526-Q529 PolarHBondContact O-N 3.36Å; Q529-Q532 WeakPolarHBondContact O-CB 3.3Å; Q529-Q532 PolarHBondContact O-N 3.02Å; Q529-L533 WeakPolarHBondContact O-CG 3.31Å; Q529-L533 PolarHBondContact O-N 2.86Å |
| 530 | M | 85 | Confident | 83.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 179.7 | -65.3 | -50.4 | -76 | 0 | 0 | 112.4 | F460 E486 F490 L526 S527 E528 Q532 L533 H534 W567 | F460-M530 HydrophobicContact CE2-CE 3.75Å; F460-M530 HydrophobicContact CZ-CB 4.11Å; F460-M530 HydrophobicContact CZ-CE 4.13Å; F460-M530 HydrophobicContact CZ-CG 4.08Å; E486-M530 HydrophobicContact CG-CE 4.39Å; F490-M530 HydrophobicContact CE2-CE 4.35Å; L526-M530 HydrophobicContact CG-CG 4.5Å; L526-M530 VanDerWaalsContact O-CG 3.31Å; L526-M530 WeakPolarHBondContact O-CG 3.13Å; L526-M530 PolarHBondContact O-N 3.32Å; S527-M530 PolarHBondContact O-N 2.88Å; E528-M530 PolarHBondContact O-N 3.43Å; M530-Q532 PolarHBondContact O-N 2.82Å; M530-L533 PolarHBondContact O-N 3.25Å; M530-H534 PolarHBondContact O-N 2.95Å; M530-W567 HydrophobicContact CB-CH2 4.06Å; M530-W567 HydrophobicContact CB-CZ2 3.94Å |
| 531 | S | 87.3 | Confident | 84.7 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -26.2 | 176.3 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | S527 E528 N570 | S527-S531 WeakPolarHBondContact O-CB 3.2Å; S527-S531 PolarHBondContact O-N 3.47Å; S527-S531 PolarHBondContact O-OG 2.99Å; E528-S531 PolarHBondContact O-N 3.39Å; E528-S531 PolarHBondContact O-OG 3.25Å; S531-N570 PolarHBondContact O-ND2 2.92Å |
| 532 | Q | 83.4 | Confident | 86 | Confident | 88 Ų | 88 | 37.2 Ų | 37.2 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.8 | -38.8 | 177.1 | -72.3 | 177.4 | 11 | 0 | 0 | 112.8 | E528 Q529 M530 V603 | E528-Q532 VanDerWaalsContact O-CG 3.25Å; E528-Q532 WeakPolarHBondContact O-CG 3.33Å; E528-Q532 PolarHBondContact O-N 2.9Å; E528-Q532 VanDerWaalsContact O-N 3.12Å; Q529-Q532 WeakPolarHBondContact O-CB 3.3Å; Q529-Q532 PolarHBondContact O-N 3.02Å; M530-Q532 PolarHBondContact O-N 2.82Å; Q532-V603 HydrophobicContact CG-CG1 3.53Å |
| 533 | L | 80 | Confident | 86.8 | Confident | 88 Ų | 88 | 34.1 Ų | 34.1 | 46% | 0.461 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -75.6 | -36.4 | -179.9 | -69.5 | 171.6 | 0 | 0 | 0 | 112.2 | Q529 M530 P535 | Q529-L533 WeakPolarHBondContact O-CG 3.31Å; Q529-L533 PolarHBondContact O-N 2.86Å; M530-L533 PolarHBondContact O-N 3.25Å; L533-P535 VanDerWaalsContact C-CD 3.47Å; L533-P535 WeakPolarHBondContact O-CD 3.35Å |
| 534 | H | 84 | Confident | 87.1 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.06 | 18% | 0.177 | C | C | . | . | trans | -128.3 | 62 | -174.4 | -60.8 | -65.6 | 0 | 0 | 0 | 112.6 | F490 M530 E536 I537 | F490-H534 AromaticContact CD1-CE1 3.19Å; F490-H534 WeakPolarHBondContact CD1-CE1 3.28Å; F490-H534 AromaticContact CD1-ND1 3.41Å; F490-H534 WeakPolarHBondContact CD1-ND1 3.49Å; F490-H534 AromaticContact CD1-NE2 3.78Å; F490-H534 AromaticContact CD2-CE1 3.93Å; F490-H534 AromaticContact CD2-NE2 3.65Å; F490-H534 HydrophobicContact CE1-CB 4.23Å; F490-H534 AromaticContact CE1-CD2 3.96Å; F490-H534 AromaticContact CE1-CE1 3.5Å; F490-H534 VanDerWaalsContact CE1-CE1 3.5Å; F490-H534 WeakPolarHBondContact CE1-CE1 3.4Å; F490-H534 AromaticContact CE1-CG 3.55Å; F490-H534 AromaticContact CE1-ND1 3.24Å; F490-H534 WeakPolarHBondContact CE1-ND1 3.4Å; F490-H534 AromaticContact CE1-NE2 3.94Å; F490-H534 AromaticContact CE2-CD2 3.79Å; F490-H534 AromaticContact CE2-NE2 3.81Å; F490-H534 AromaticContact CG-CE1 3.43Å; F490-H534 VanDerWaalsContact CG-CE1 3.43Å; F490-H534 WeakPolarHBondContact CG-CE1 3.41Å; F490-H534 AromaticContact CG-NE2 3.62Å; F490-H534 HydrophobicContact CZ-CB 4.16Å; F490-H534 AromaticContact CZ-CD2 3.7Å; F490-H534 AromaticContact CZ-CE1 3.98Å; F490-H534 AromaticContact CZ-CG 3.59Å; F490-H534 AromaticContact CZ-ND1 3.78Å; F490-H534 AromaticContact CZ-NE2 3.95Å; M530-H534 PolarHBondContact O-N 2.95Å; H534-E536 VanDerWaalsContact C-OE2 3.29Å; H534-E536 WeakPolarHBondContact CA-OE2 3.34Å; H534-E536 IonicContact CG-OE1 3.05Å; H534-E536 IonicContact ND1-OE1 3.54Å; H534-E536 PolarHBondContact ND1-OE1 3.06Å; H534-E536 PolarHBondContact O-N 3.34Å; H534-E536 VanDerWaalsContact O-N 3.16Å; H534-I537 HydrophobicContact CB-CD1 4.19Å; H534-I537 HydrophobicContact CB-CG1 3.94Å; H534-I537 VanDerWaalsContact O-CG1 3.28Å; H534-I537 WeakPolarHBondContact O-CG1 3.41Å; H534-I537 PolarHBondContact O-N 3.47Å | ||
| 535 | P | 82.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -59.7 | -25.5 | 178.4 | 26.2 | -35 | 0 | 0 | 0 | 112.9 | L533 I537 T538 L604 | L533-P535 VanDerWaalsContact C-CD 3.47Å; L533-P535 WeakPolarHBondContact O-CD 3.35Å; P535-I537 VanDerWaalsContact C-N 3.27Å; P535-I537 PolarHBondContact O-N 3.48Å; P535-T538 VanDerWaalsContact O-CB 3.25Å; P535-T538 WeakPolarHBondContact O-CB 3.32Å; P535-T538 PolarHBondContact O-N 2.77Å; P535-T538 VanDerWaalsContact O-N 3.16Å; P535-T538 PolarHBondContact O-OG1 3.3Å; P535-L604 HydrophobicContact CB-CD2 4.18Å; P535-L604 HydrophobicContact CG-CD2 4.26Å |
| 536 | E | 81.8 | Confident | 87.9 | Confident | 67 Ų | 67 | 27.8 Ų | 27.8 | 31% | 0.313 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -61.2 | -27.7 | 179.2 | 65.6 | -79.3 | -177.6 | 0 | 0 | 114 | H534 T538 P809 | H534-E536 VanDerWaalsContact C-OE2 3.29Å; H534-E536 WeakPolarHBondContact CA-OE2 3.34Å; H534-E536 IonicContact CG-OE1 3.05Å; H534-E536 IonicContact ND1-OE1 3.54Å; H534-E536 PolarHBondContact ND1-OE1 3.06Å; H534-E536 PolarHBondContact O-N 3.34Å; H534-E536 VanDerWaalsContact O-N 3.16Å; E536-T538 VanDerWaalsContact C-N 3.34Å; E536-P809 HydrophobicContact CB-CG 4.19Å; E536-P809 WeakPolarHBondContact O-CG 3.02Å |
| 537 | I | 87.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 9% | 0.087 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -90.5 | 5.5 | 179.1 | 65.3 | 164.9 | 0 | 0 | 0 | 113.6 | F456 I457 F490 H534 P535 M539 P540 I541 W567 | F456-I537 HydrophobicContact CE1-CD1 4.31Å; I457-I537 HydrophobicContact CD1-CB 4.24Å; I457-I537 HydrophobicContact CD1-CG2 4.34Å; F490-I537 HydrophobicContact CZ-CD1 4.14Å; H534-I537 HydrophobicContact CB-CD1 4.19Å; H534-I537 HydrophobicContact CB-CG1 3.94Å; H534-I537 VanDerWaalsContact O-CG1 3.28Å; H534-I537 WeakPolarHBondContact O-CG1 3.41Å; H534-I537 PolarHBondContact O-N 3.47Å; P535-I537 VanDerWaalsContact C-N 3.27Å; P535-I537 PolarHBondContact O-N 3.48Å; I537-M539 PolarHBondContact O-N 2.89Å; I537-P540 VanDerWaalsContact O-CD 3.3Å; I537-P540 WeakPolarHBondContact O-CD 3.43Å; I537-I541 HydrophobicContact CD1-CD1 4.46Å; I537-I541 HydrophobicContact CD1-CG1 4.14Å; I537-I541 HydrophobicContact CG1-CG1 4.29Å; I537-I541 VanDerWaalsContact O-CG1 3.29Å; I537-I541 WeakPolarHBondContact O-CG1 3.22Å; I537-I541 PolarHBondContact O-N 2.88Å; I537-W567 HydrophobicContact CD1-CH2 3.74Å; I537-W567 HydrophobicContact CD1-CZ3 4.06Å; I537-W567 HydrophobicContact CG1-CH2 3.87Å; I537-W567 HydrophobicContact CG1-CZ3 3.64Å |
| 538 | T | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.6 | -47.1 | -178.3 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | P535 E536 I541 F542 W567 N570 V571 | P535-T538 VanDerWaalsContact O-CB 3.25Å; P535-T538 WeakPolarHBondContact O-CB 3.32Å; P535-T538 PolarHBondContact O-N 2.77Å; P535-T538 VanDerWaalsContact O-N 3.16Å; P535-T538 PolarHBondContact O-OG1 3.3Å; E536-T538 VanDerWaalsContact C-N 3.34Å; T538-I541 PolarHBondContact O-N 3.16Å; T538-F542 WeakPolarHBondContact O-CB 3.48Å; T538-F542 PolarHBondContact O-N 3.21Å; T538-W567 HydrophobicContact CG2-CB 4.29Å; T538-W567 WeakPolarHBondContact CG2-O 3.45Å; T538-N570 HydrophobicContact CG2-CB 4.33Å; T538-N570 PolarHBondContact OG1-ND2 3.28Å; T538-V571 HydrophobicContact CG2-CG2 3.98Å |
| 539 | M | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | -178.6 | -68.6 | -54.2 | -61.1 | 0 | 0 | 113.3 | I537 I541 F542 S543 A614 M617 I618 L808 M810 | I537-M539 PolarHBondContact O-N 2.89Å; M539-I541 PolarHBondContact O-N 3.47Å; M539-F542 PolarHBondContact O-N 2.78Å; M539-S543 WeakPolarHBondContact O-CB 3.37Å; M539-S543 PolarHBondContact O-N 3.21Å; M539-A614 HydrophobicContact CE-CB 3.59Å; M539-A614 HydrophobicContact CG-CB 4.4Å; M539-A614 HydrophobicContact SD-CB 3.9Å; M539-M617 HydrophobicContact CE-CE 3.29Å; M539-M617 HydrophobicContact CE-SD 4.42Å; M539-I618 HydrophobicContact CE-CD1 4.11Å; M539-I618 HydrophobicContact CE-CG1 4Å; M539-I618 HydrophobicContact SD-CD1 3.73Å; M539-I618 HydrophobicContact SD-CG1 4.22Å; M539-L808 HydrophobicContact CG-CB 3.72Å; M539-L808 HydrophobicContact CG-CD1 3.77Å; M539-L808 HydrophobicContact CG-CD2 4.17Å; M539-L808 HydrophobicContact CG-CG 4.04Å; M539-L808 HydrophobicContact SD-CD1 3.89Å; M539-M810 HydrophobicContact CE-CE 4.43Å; M539-M810 HydrophobicContact CE-SD 3.93Å; M539-M810 HydrophobicContact CG-SD 4.44Å |
| 540 | P | 90.8 | Very high | 89 | Confident | 26 Ų | 26 | 24 Ų | 24 | 17% | 0.169 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.7 | -46 | 169.7 | -28.7 | 32.8 | 0 | 0 | 0 | 114.1 | I457 I537 S543 E544 P811 | I457-P540 HydrophobicContact CB-CB 4.49Å; I457-P540 HydrophobicContact CD1-CB 3.65Å; I457-P540 HydrophobicContact CG1-CB 3.76Å; I457-P540 HydrophobicContact CG2-CB 3.97Å; I537-P540 VanDerWaalsContact O-CD 3.3Å; I537-P540 WeakPolarHBondContact O-CD 3.43Å; P540-S543 PolarHBondContact O-N 3.19Å; P540-E544 WeakPolarHBondContact O-CB 3.41Å; P540-E544 PolarHBondContact O-N 2.96Å; P540-P811 HydrophobicContact CG-CG 4.34Å |
| 541 | I | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 178.4 | -66.9 | -70.3 | 0 | 0 | 0 | 111.1 | I457 F460 I537 T538 M539 S543 E544 V545 L564 W567 | I457-I541 HydrophobicContact CG2-CD1 4.19Å; F460-I541 HydrophobicContact CD1-CD1 3.34Å; F460-I541 HydrophobicContact CE1-CD1 3.72Å; F460-I541 HydrophobicContact CG-CD1 4.37Å; I537-I541 HydrophobicContact CD1-CD1 4.46Å; I537-I541 HydrophobicContact CD1-CG1 4.14Å; I537-I541 HydrophobicContact CG1-CG1 4.29Å; I537-I541 VanDerWaalsContact O-CG1 3.29Å; I537-I541 WeakPolarHBondContact O-CG1 3.22Å; I537-I541 PolarHBondContact O-N 2.88Å; T538-I541 PolarHBondContact O-N 3.16Å; M539-I541 PolarHBondContact O-N 3.47Å; I541-S543 VanDerWaalsContact C-N 3.35Å; I541-S543 PolarHBondContact O-N 3.16Å; I541-E544 PolarHBondContact O-N 3.37Å; I541-V545 HydrophobicContact CG2-CG2 4.35Å; I541-V545 WeakPolarHBondContact O-CB 3.23Å; I541-V545 VanDerWaalsContact O-CG2 3.27Å; I541-V545 WeakPolarHBondContact O-CG2 3.3Å; I541-V545 PolarHBondContact O-N 3.33Å; I541-L564 HydrophobicContact CG2-CD1 4.42Å; I541-W567 HydrophobicContact CB-CD2 4.5Å; I541-W567 HydrophobicContact CG1-CH2 4.31Å; I541-W567 HydrophobicContact CG1-CZ2 4.45Å; I541-W567 HydrophobicContact CG1-CZ3 4.36Å; I541-W567 HydrophobicContact CG2-CD2 4.13Å; I541-W567 HydrophobicContact CG2-CG 4.26Å |
| 542 | F | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.9 | 178.9 | -96.4 | 0 | 0 | 0 | 112.1 | T538 M539 S546 L564 L568 M617 I618 N621 M622 | T538-F542 WeakPolarHBondContact O-CB 3.48Å; T538-F542 PolarHBondContact O-N 3.21Å; M539-F542 PolarHBondContact O-N 2.78Å; F542-S546 VanDerWaalsContact O-CB 3.3Å; F542-S546 WeakPolarHBondContact O-CB 3.43Å; F542-S546 PolarHBondContact O-N 3.02Å; F542-S546 PolarHBondContact O-OG 3.13Å; F542-L564 HydrophobicContact CB-CD1 4.43Å; F542-L564 HydrophobicContact CD2-CD1 4.08Å; F542-L564 HydrophobicContact CD2-CD2 3.85Å; F542-L564 HydrophobicContact CD2-CG 4.32Å; F542-L564 HydrophobicContact CE2-CD2 4.09Å; F542-L568 HydrophobicContact CD2-CD2 3.72Å; F542-L568 HydrophobicContact CE2-CD2 4Å; F542-M617 HydrophobicContact CD1-CE 3.7Å; F542-M617 HydrophobicContact CE1-CE 4.26Å; F542-I618 HydrophobicContact CD1-CG1 3.99Å; F542-I618 HydrophobicContact CE1-CB 4.21Å; F542-I618 HydrophobicContact CE1-CG1 3.82Å; F542-I618 HydrophobicContact CZ-CB 4.38Å; F542-I618 HydrophobicContact CZ-CG1 4.3Å; F542-I618 HydrophobicContact CZ-CG2 4.27Å; F542-N621 HydrophobicContact CE1-CB 3.82Å; F542-N621 HydrophobicContact CZ-CB 3.81Å; F542-M622 HydrophobicContact CE2-CG 4.24Å; F542-M622 HydrophobicContact CE2-SD 4.15Å; F542-M622 HydrophobicContact CZ-CG 4.04Å; F542-M622 HydrophobicContact CZ-SD 4.47Å |
| 543 | S | 92.4 | Very high | 89.7 | Confident | 15 Ų | 15 | 27.6 Ų | 27.6 | 11% | 0.105 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | M539 P540 I541 S546 L547 G815 H816 | M539-S543 WeakPolarHBondContact O-CB 3.37Å; M539-S543 PolarHBondContact O-N 3.21Å; P540-S543 PolarHBondContact O-N 3.19Å; I541-S543 VanDerWaalsContact C-N 3.35Å; I541-S543 PolarHBondContact O-N 3.16Å; S543-S546 WeakPolarHBondContact O-CB 3.49Å; S543-S546 PolarHBondContact O-N 2.96Å; S543-L547 PolarHBondContact O-N 3.05Å; S543-G815 WeakPolarHBondContact OG-CA 3.16Å; S543-H816 PolarHBondContact OG-N 3.35Å |
| 544 | E | 92.6 | Very high | 90.1 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | -179.2 | -178.3 | 61.1 | -163.6 | 0 | 0 | 111.7 | I457 N461 P540 I541 S546 L547 R548 | I457-E544 HydrophobicContact CG2-CB 3.78Å; I457-E544 HydrophobicContact CG2-CG 4.19Å; N461-E544 HydrophobicContact CB-CG 3.98Å; P540-E544 WeakPolarHBondContact O-CB 3.41Å; P540-E544 PolarHBondContact O-N 2.96Å; I541-E544 PolarHBondContact O-N 3.37Å; E544-S546 VanDerWaalsContact C-N 3.33Å; E544-S546 PolarHBondContact O-N 2.86Å; E544-L547 PolarHBondContact O-N 3.44Å; E544-R548 WeakPolarHBondContact O-CG 3.36Å; E544-R548 PolarHBondContact O-N 3.01Å; E544-R548 IonicContact OE1-CZ 2.67Å; E544-R548 VanDerWaalsContact OE1-CZ 3.26Å; E544-R548 IonicContact OE1-NE 2.72Å; E544-R548 PolarHBondContact OE1-NE 2.84Å; E544-R548 IonicContact OE1-NH2 3.45Å; E544-R548 PolarHBondContact OE1-NH2 3.17Å |
| 545 | V | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | N461 I541 L547 R548 L549 M560 Y563 L564 | N461-V545 WeakPolarHBondContact OD1-CG2 3.4Å; I541-V545 HydrophobicContact CG2-CG2 4.35Å; I541-V545 WeakPolarHBondContact O-CB 3.23Å; I541-V545 VanDerWaalsContact O-CG2 3.27Å; I541-V545 WeakPolarHBondContact O-CG2 3.3Å; I541-V545 PolarHBondContact O-N 3.33Å; V545-L547 VanDerWaalsContact C-N 3.31Å; V545-L547 PolarHBondContact O-N 3.3Å; V545-R548 PolarHBondContact O-N 3.38Å; V545-L549 HydrophobicContact CG1-CD1 3.64Å; V545-L549 HydrophobicContact CG1-CG 4.14Å; V545-L549 VanDerWaalsContact O-CB 3.31Å; V545-L549 WeakPolarHBondContact O-CB 3.49Å; V545-L549 WeakPolarHBondContact O-CD1 3.39Å; V545-L549 VanDerWaalsContact O-CG 3.25Å; V545-L549 WeakPolarHBondContact O-CG 3.37Å; V545-L549 PolarHBondContact O-N 3.34Å; V545-M560 HydrophobicContact CG1-CB 4.04Å; V545-Y563 HydrophobicContact CG2-CE2 3.89Å; V545-L564 HydrophobicContact CB-CD1 4.4Å; V545-L564 HydrophobicContact CG1-CD1 4.48Å; V545-L564 HydrophobicContact CG1-CD2 3.93Å; V545-L564 HydrophobicContact CG2-CD1 4.37Å |
| 546 | S | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 177.8 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | F542 S543 E544 N621 | F542-S546 VanDerWaalsContact O-CB 3.3Å; F542-S546 WeakPolarHBondContact O-CB 3.43Å; F542-S546 PolarHBondContact O-N 3.02Å; F542-S546 PolarHBondContact O-OG 3.13Å; S543-S546 WeakPolarHBondContact O-CB 3.49Å; S543-S546 PolarHBondContact O-N 2.96Å; E544-S546 VanDerWaalsContact C-N 3.33Å; E544-S546 PolarHBondContact O-N 2.86Å; S546-N621 VanDerWaalsContact CB-ND2 3.34Å; S546-N621 WeakPolarHBondContact CB-ND2 3.16Å; S546-N621 PolarHBondContact OG-ND2 3.09Å |
| 547 | L | 92.5 | Very high | 91 | Very high | 66 Ų | 66 | 28.5 Ų | 28.5 | 35% | 0.346 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.5 | -54.3 | 174.7 | 176.2 | 64.5 | 0 | 0 | 0 | 111.2 | S543 E544 V545 L549 Q550 H816 | S543-L547 PolarHBondContact O-N 3.05Å; E544-L547 PolarHBondContact O-N 3.44Å; V545-L547 VanDerWaalsContact C-N 3.31Å; V545-L547 PolarHBondContact O-N 3.3Å; L547-L549 VanDerWaalsContact C-N 3.3Å; L547-L549 PolarHBondContact O-N 2.96Å; L547-Q550 PolarHBondContact O-N 3.27Å; L547-H816 VanDerWaalsContact CA-CD2 3.48Å; L547-H816 WeakPolarHBondContact CA-CD2 3.28Å; L547-H816 HydrophobicContact CB-CB 4.34Å |
| 548 | R | 93.2 | Very high | 91.1 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.1 | -25.3 | -174.7 | -58.7 | -58.3 | 176.2 | 165.6 | 0.8 | 113.5 | D426 Y429 E544 V545 Q550 C551 A552 M560 | D426-R548 IonicContact OD1-CZ 2.62Å; D426-R548 IonicContact OD1-NH1 3.3Å; D426-R548 PolarHBondContact OD1-NH1 3.37Å; Y429-R548 HydrophobicContact CD1-CB 3.95Å; Y429-R548 HydrophobicContact CD1-CG 4.43Å; Y429-R548 HydrophobicContact CD2-CB 4.46Å; Y429-R548 HydrophobicContact CD2-CG 4.21Å; Y429-R548 HydrophobicContact CE1-CB 4Å; Y429-R548 HydrophobicContact CE1-CG 4.18Å; Y429-R548 HydrophobicContact CE2-CG 3.99Å; Y429-R548 HydrophobicContact CG-CB 4.2Å; Y429-R548 HydrophobicContact CG-CG 4.45Å; E544-R548 WeakPolarHBondContact O-CG 3.36Å; E544-R548 PolarHBondContact O-N 3.01Å; E544-R548 IonicContact OE1-CZ 2.67Å; E544-R548 VanDerWaalsContact OE1-CZ 3.26Å; E544-R548 IonicContact OE1-NE 2.72Å; E544-R548 PolarHBondContact OE1-NE 2.84Å; E544-R548 IonicContact OE1-NH2 3.45Å; E544-R548 PolarHBondContact OE1-NH2 3.17Å; V545-R548 PolarHBondContact O-N 3.38Å; R548-Q550 PolarHBondContact O-N 3.36Å; R548-C551 PolarHBondContact O-N 3.07Å; R548-A552 WeakPolarHBondContact O-CB 3.38Å; R548-A552 PolarHBondContact O-N 3.15Å; R548-M560 HydrophobicContact CB-CE 4.39Å; R548-M560 HydrophobicContact CB-SD 4.14Å |
| 549 | L | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.6 | -32.5 | 175.9 | -90.1 | 162.5 | 0 | 0 | 0 | 112.9 | V545 L547 R557 M560 L561 I625 F629 | V545-L549 HydrophobicContact CG1-CD1 3.64Å; V545-L549 HydrophobicContact CG1-CG 4.14Å; V545-L549 VanDerWaalsContact O-CB 3.31Å; V545-L549 WeakPolarHBondContact O-CB 3.49Å; V545-L549 WeakPolarHBondContact O-CD1 3.39Å; V545-L549 VanDerWaalsContact O-CG 3.25Å; V545-L549 WeakPolarHBondContact O-CG 3.37Å; V545-L549 PolarHBondContact O-N 3.34Å; L547-L549 VanDerWaalsContact C-N 3.3Å; L547-L549 PolarHBondContact O-N 2.96Å; L549-R557 HydrophobicContact CD2-CB 3.73Å; L549-R557 HydrophobicContact CD2-CG 3.93Å; L549-M560 HydrophobicContact CD2-CB 4.47Å; L549-M560 HydrophobicContact CD2-CE 4.03Å; L549-M560 HydrophobicContact CG-CE 4.02Å; L549-L561 HydrophobicContact CD1-CD2 3.8Å; L549-L561 HydrophobicContact CD2-CD2 4.05Å; L549-L561 HydrophobicContact CD2-CG 4Å; L549-I625 HydrophobicContact CD1-CD1 3.84Å; L549-I625 HydrophobicContact CD1-CG1 4.4Å; L549-F629 HydrophobicContact CB-CE2 4.43Å |
| 550 | Q | 90.2 | Very high | 91.3 | Very high | 65 Ų | 65 | 30 Ų | 30 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.7 | -39.4 | -174.9 | -57.1 | -173.8 | 25.6 | 0 | 0 | 112.6 | L547 R548 Y624 H816 C818 | L547-Q550 PolarHBondContact O-N 3.27Å; R548-Q550 PolarHBondContact O-N 3.36Å; Q550-Y624 HydrophobicContact CG-CE1 4.32Å; Q550-H816 PolarHBondContact NE2-NE2 2.94Å; Q550-C818 PolarHBondContact NE2-SG 3.1Å |
| 551 | C | 88 | Confident | 91.3 | Very high | 62 Ų | 62 | 28.8 Ų | 28.8 | 42% | 0.419 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -101 | -10 | -178.3 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | R548 | R548-C551 PolarHBondContact O-N 3.07Å |
| 552 | A | 92.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -71.4 | 154.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y429 R548 R556 R557 M560 | Y429-A552 WeakPolarHBondContact O-CA 3.32Å; R548-A552 WeakPolarHBondContact O-CB 3.38Å; R548-A552 PolarHBondContact O-N 3.15Å; A552-R556 HydrophobicContact CB-CB 4.34Å; A552-R557 HydrophobicContact CB-CG 3.98Å; A552-R557 PolarHBondContact O-NE 2.88Å; A552-R557 PolarHBondContact O-NH2 2.94Å; A552-R557 VanDerWaalsContact O-NH2 3.08Å; A552-M560 HydrophobicContact CB-CE 3.37Å |
| 553 | R | 90.5 | Very high | 91.3 | Very high | 108 Ų | 108 | 30.7 Ų | 30.7 | 41% | 0.408 | 17% | 0.172 | S | C | . | . | trans | -75.4 | 153.1 | 172 | -67.3 | -167.2 | 175.7 | -151.9 | -7.5 | 112.6 | Y429 S430 S431 P432 A555 R556 R557 | Y429-R553 PolarHBondContact O-N 3.09Å; S430-R553 WeakPolarHBondContact O-CG 3.4Å; S430-R553 PolarHBondContact O-NE 3.01Å; S431-R553 PolarHBondContact O-NE 2.81Å; P432-R553 VanDerWaalsContact CA-NH1 3.26Å; P432-R553 VanDerWaalsContact CD-NH2 3.3Å; P432-R553 VanDerWaalsContact N-CZ 3.29Å; R553-A555 PolarHBondContact O-N 3.32Å; R553-A555 VanDerWaalsContact O-N 3.15Å; R553-R556 WeakPolarHBondContact O-CA 3.31Å; R553-R556 WeakPolarHBondContact O-CB 3.38Å; R553-R556 PolarHBondContact O-N 3.32Å; R553-R557 PolarHBondContact O-N 2.91Å | ||
| 554 | P | 86.8 | Confident | 91.3 | Very high | 64 Ų | 64 | 30 Ų | 30 | 42% | 0.416 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -51.3 | -43.7 | -173.8 | -29.9 | 35.2 | 0 | 0 | 0 | 115.5 | R556 R557 A558 H633 | P554-R556 VanDerWaalsContact C-N 3.29Å; P554-R556 PolarHBondContact O-N 3.1Å; P554-R557 PolarHBondContact O-N 2.87Å; P554-A558 PolarHBondContact O-N 3.22Å; P554-H633 PolarHBondContact O-NE2 3.38Å |
| 555 | A | 86 | Confident | 91.3 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 69% | 0.686 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -63.2 | -34 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R553 S559 | R553-A555 PolarHBondContact O-N 3.32Å; R553-A555 VanDerWaalsContact O-N 3.15Å; A555-S559 PolarHBondContact O-N 2.93Å |
| 556 | R | 90.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 6% | 0.06 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.1 | -41.3 | 176.6 | -63.7 | 176.7 | -170.7 | 118.8 | 1 | 110.8 | C428 Y429 S431 L465 A552 R553 P554 A558 S559 M560 | C428-R556 WeakPolarHBondContact O-CD 3.47Å; C428-R556 VanDerWaalsContact O-CZ 3.29Å; C428-R556 PolarHBondContact O-NE 2.83Å; Y429-R556 VanDerWaalsContact O-CD 3.27Å; Y429-R556 WeakPolarHBondContact O-CD 3.42Å; Y429-R556 PolarHBondContact O-NH1 3.19Å; S431-R556 PolarHBondContact O-NH1 3.19Å; S431-R556 PolarHBondContact O-NH2 3.16Å; L465-R556 HydrophobicContact CD1-CB 4.25Å; L465-R556 HydrophobicContact CD2-CG 4.43Å; A552-R556 HydrophobicContact CB-CB 4.34Å; R553-R556 WeakPolarHBondContact O-CA 3.31Å; R553-R556 WeakPolarHBondContact O-CB 3.38Å; R553-R556 PolarHBondContact O-N 3.32Å; P554-R556 VanDerWaalsContact C-N 3.29Å; P554-R556 PolarHBondContact O-N 3.1Å; R556-A558 VanDerWaalsContact C-N 3.3Å; R556-A558 PolarHBondContact O-N 2.93Å; R556-S559 PolarHBondContact O-N 3.34Å; R556-S559 VanDerWaalsContact O-N 3.12Å; R556-M560 VanDerWaalsContact O-CG 3.3Å; R556-M560 WeakPolarHBondContact O-CG 3.41Å; R556-M560 PolarHBondContact O-N 3.24Å |
| 557 | R | 91.5 | Very high | 91 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.6 | -48.9 | 172.1 | -61.1 | -177.3 | -150.4 | 155.2 | -3.4 | 110.9 | L549 A552 R553 P554 S559 M560 L561 E632 | L549-R557 HydrophobicContact CD2-CB 3.73Å; L549-R557 HydrophobicContact CD2-CG 3.93Å; A552-R557 HydrophobicContact CB-CG 3.98Å; A552-R557 PolarHBondContact O-NE 2.88Å; A552-R557 PolarHBondContact O-NH2 2.94Å; A552-R557 VanDerWaalsContact O-NH2 3.08Å; R553-R557 PolarHBondContact O-N 2.91Å; P554-R557 PolarHBondContact O-N 2.87Å; R557-S559 VanDerWaalsContact C-N 3.32Å; R557-S559 PolarHBondContact O-N 3.43Å; R557-M560 PolarHBondContact O-N 3.12Å; R557-L561 WeakPolarHBondContact O-CB 3.41Å; R557-L561 VanDerWaalsContact O-CG 3.27Å; R557-L561 WeakPolarHBondContact O-CG 3.35Å; R557-L561 PolarHBondContact O-N 2.87Å; R557-E632 IonicContact CZ-OE2 3.75Å; R557-E632 IonicContact NH1-OE1 2.72Å; R557-E632 PolarHBondContact NH1-OE1 3.01Å; R557-E632 IonicContact NH1-OE2 2.73Å; R557-E632 PolarHBondContact NH1-OE2 3.45Å |
| 558 | A | 90.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 27.6 Ų | 27.6 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P554 R556 H562 L636 | P554-A558 PolarHBondContact O-N 3.22Å; R556-A558 VanDerWaalsContact C-N 3.3Å; R556-A558 PolarHBondContact O-N 2.93Å; A558-H562 VanDerWaalsContact O-CB 3.3Å; A558-H562 WeakPolarHBondContact O-CB 3.4Å; A558-H562 PolarHBondContact O-N 3.27Å; A558-L636 HydrophobicContact CB-CD1 3.92Å; A558-L636 WeakPolarHBondContact O-CD1 3.41Å |
| 559 | S | 89.9 | Confident | 90.6 | Very high | 23 Ų | 23 | 29 Ų | 29 | 16% | 0.161 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 112 | Q523 A555 R556 R557 H562 Y563 | Q523-S559 PolarHBondContact NE2-OG 3.12Å; Q523-S559 PolarHBondContact OE1-OG 3.22Å; Q523-S559 VanDerWaalsContact OE1-OG 3.1Å; A555-S559 PolarHBondContact O-N 2.93Å; R556-S559 PolarHBondContact O-N 3.34Å; R556-S559 VanDerWaalsContact O-N 3.12Å; R557-S559 VanDerWaalsContact C-N 3.32Å; R557-S559 PolarHBondContact O-N 3.43Å; S559-H562 WeakPolarHBondContact O-CB 3.12Å; S559-H562 PolarHBondContact O-N 2.73Å; S559-H562 VanDerWaalsContact O-N 3.15Å; S559-Y563 WeakPolarHBondContact O-CD1 3.34Å; S559-Y563 PolarHBondContact O-N 3.13Å |
| 560 | M | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 177 | -63.4 | -166 | -74.9 | 0 | 0 | 112.8 | Y429 L465 V545 R548 L549 A552 R556 R557 H562 Y563 L564 | Y429-M560 HydrophobicContact CD1-CE 4.2Å; Y429-M560 HydrophobicContact CD1-SD 3.87Å; Y429-M560 HydrophobicContact CE1-SD 3.65Å; L465-M560 HydrophobicContact CD1-CG 3.96Å; V545-M560 HydrophobicContact CG1-CB 4.04Å; R548-M560 HydrophobicContact CB-CE 4.39Å; R548-M560 HydrophobicContact CB-SD 4.14Å; L549-M560 HydrophobicContact CD2-CB 4.47Å; L549-M560 HydrophobicContact CD2-CE 4.03Å; L549-M560 HydrophobicContact CG-CE 4.02Å; A552-M560 HydrophobicContact CB-CE 3.37Å; R556-M560 VanDerWaalsContact O-CG 3.3Å; R556-M560 WeakPolarHBondContact O-CG 3.41Å; R556-M560 PolarHBondContact O-N 3.24Å; R557-M560 PolarHBondContact O-N 3.12Å; M560-H562 PolarHBondContact O-N 3.28Å; M560-Y563 HydrophobicContact CB-CE1 4.1Å; M560-Y563 HydrophobicContact CG-CE1 3.91Å; M560-Y563 VanDerWaalsContact CG-OH 3.27Å; M560-Y563 WeakPolarHBondContact CG-OH 3.35Å; M560-L564 VanDerWaalsContact O-CB 3.25Å; M560-L564 WeakPolarHBondContact O-CB 3.21Å; M560-L564 PolarHBondContact O-N 3.26Å; M560-L564 VanDerWaalsContact O-N 3.12Å |
| 561 | L | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -34.8 | 175.2 | -65.3 | 171.8 | 0 | 0 | 0 | 111.5 | L549 R557 I625 H633 L636 L637 L640 | L549-L561 HydrophobicContact CD1-CD2 3.8Å; L549-L561 HydrophobicContact CD2-CD2 4.05Å; L549-L561 HydrophobicContact CD2-CG 4Å; R557-L561 WeakPolarHBondContact O-CB 3.41Å; R557-L561 VanDerWaalsContact O-CG 3.27Å; R557-L561 WeakPolarHBondContact O-CG 3.35Å; R557-L561 PolarHBondContact O-N 2.87Å; L561-I625 HydrophobicContact CD2-CG2 3.95Å; L561-H633 HydrophobicContact CD1-CB 4.09Å; L561-L636 HydrophobicContact CB-CB 4.18Å; L561-L636 HydrophobicContact CB-CD1 4.3Å; L561-L637 HydrophobicContact CD2-CD2 4.46Å; L561-L640 HydrophobicContact CB-CD1 3.97Å; L561-L640 HydrophobicContact CD2-CD1 3.48Å; L561-L640 VanDerWaalsContact CD2-CD1 3.48Å; L561-L640 HydrophobicContact CG-CD1 4.27Å |
| 562 | H | 91.2 | Very high | 90.1 | Very high | 41 Ų | 41 | 24.9 Ų | 24.9 | 19% | 0.19 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.9 | -49 | -179.5 | -172.6 | 61.2 | 0 | 0 | 0 | 112.8 | A558 S559 M560 L564 L636 | A558-H562 VanDerWaalsContact O-CB 3.3Å; A558-H562 WeakPolarHBondContact O-CB 3.4Å; A558-H562 PolarHBondContact O-N 3.27Å; S559-H562 WeakPolarHBondContact O-CB 3.12Å; S559-H562 PolarHBondContact O-N 2.73Å; S559-H562 VanDerWaalsContact O-N 3.15Å; M560-H562 PolarHBondContact O-N 3.28Å; H562-L564 VanDerWaalsContact C-N 3.29Å; H562-L564 PolarHBondContact O-N 2.91Å; H562-L636 HydrophobicContact CB-CD2 4.06Å |
| 563 | Y | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -78 | -12.7 | -179.5 | 68.8 | -115.4 | 0 | 0 | 0 | 113.5 | N461 L464 L465 Q523 S527 V545 S559 M560 V565 P566 W567 | N461-Y563 PolarHBondContact OD1-OH 3.04Å; L464-Y563 HydrophobicContact CD2-CD2 3.37Å; L464-Y563 HydrophobicContact CD2-CE2 3.69Å; L464-Y563 HydrophobicContact CD2-CG 3.86Å; L464-Y563 HydrophobicContact CG-CD1 4.2Å; L464-Y563 HydrophobicContact CG-CD2 3.94Å; L464-Y563 HydrophobicContact CG-CE1 4.4Å; L464-Y563 HydrophobicContact CG-CE2 4.21Å; L464-Y563 HydrophobicContact CG-CG 3.96Å; L465-Y563 HydrophobicContact CB-CE1 4.31Å; L465-Y563 HydrophobicContact CD1-CE1 4.4Å; Q523-Y563 HydrophobicContact CG-CD1 4.48Å; S527-Y563 PolarHBondContact OG-O 3.04Å; V545-Y563 HydrophobicContact CG2-CE2 3.89Å; S559-Y563 WeakPolarHBondContact O-CD1 3.34Å; S559-Y563 PolarHBondContact O-N 3.13Å; M560-Y563 HydrophobicContact CB-CE1 4.1Å; M560-Y563 HydrophobicContact CG-CE1 3.91Å; M560-Y563 VanDerWaalsContact CG-OH 3.27Å; M560-Y563 WeakPolarHBondContact CG-OH 3.35Å; Y563-V565 VanDerWaalsContact C-N 3.3Å; Y563-P566 VanDerWaalsContact O-CD 3.26Å; Y563-P566 WeakPolarHBondContact O-CD 3.45Å; Y563-W567 VanDerWaalsContact O-CD1 3.27Å |
| 564 | L | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.6 | -21.3 | 176.4 | -173.7 | 66 | 0 | 0 | 0 | 112.7 | I541 F542 V545 M560 H562 W567 L568 L640 | I541-L564 HydrophobicContact CG2-CD1 4.42Å; F542-L564 HydrophobicContact CB-CD1 4.43Å; F542-L564 HydrophobicContact CD2-CD1 4.08Å; F542-L564 HydrophobicContact CD2-CD2 3.85Å; F542-L564 HydrophobicContact CD2-CG 4.32Å; F542-L564 HydrophobicContact CE2-CD2 4.09Å; V545-L564 HydrophobicContact CB-CD1 4.4Å; V545-L564 HydrophobicContact CG1-CD1 4.48Å; V545-L564 HydrophobicContact CG1-CD2 3.93Å; V545-L564 HydrophobicContact CG2-CD1 4.37Å; M560-L564 VanDerWaalsContact O-CB 3.25Å; M560-L564 WeakPolarHBondContact O-CB 3.21Å; M560-L564 PolarHBondContact O-N 3.26Å; M560-L564 VanDerWaalsContact O-N 3.12Å; H562-L564 VanDerWaalsContact C-N 3.29Å; H562-L564 PolarHBondContact O-N 2.91Å; L564-W567 HydrophobicContact CD1-CB 4.37Å; L564-W567 WeakPolarHBondContact O-CB 3.47Å; L564-W567 PolarHBondContact O-N 3.31Å; L564-L568 PolarHBondContact O-N 3.12Å; L564-L640 HydrophobicContact CB-CD2 3.95Å; L564-L640 HydrophobicContact CD2-CD2 4.08Å; L564-L640 HydrophobicContact CG-CD2 4.03Å |
| 565 | V | 92.1 | Very high | 89.3 | Confident | 22 Ų | 22 | 20.6 Ų | 20.6 | 13% | 0.133 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.8 | -48.9 | -177.2 | 170.9 | 0 | 0 | 0 | 0 | 113.7 | Y563 W567 L568 H569 S639 L640 | Y563-V565 VanDerWaalsContact C-N 3.3Å; V565-W567 VanDerWaalsContact C-N 3.34Å; V565-W567 PolarHBondContact O-N 3.08Å; V565-L568 PolarHBondContact O-N 2.8Å; V565-H569 PolarHBondContact O-CE1 3.45Å; V565-H569 VanDerWaalsContact O-CE1 3.3Å; V565-H569 PolarHBondContact O-ND1 3.46Å; V565-S639 WeakPolarHBondContact CG2-OG 3.42Å; V565-L640 HydrophobicContact CB-CD2 4.43Å; V565-L640 HydrophobicContact CG2-CD2 3.67Å; V565-L640 HydrophobicContact CG2-CG 3.98Å |
| 566 | P | 89.5 | Confident | 88.8 | Confident | 10 Ų | 10 | 20.3 Ų | 20.3 | 7% | 0.065 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 178.7 | -22.8 | 35.6 | 0 | 0 | 0 | 113.6 | L524 E528 Y563 L568 H569 | L524-P566 HydrophobicContact CD1-CG 3.66Å; E528-P566 HydrophobicContact CB-CB 4.11Å; E528-P566 HydrophobicContact CB-CG 4.14Å; Y563-P566 VanDerWaalsContact O-CD 3.26Å; Y563-P566 WeakPolarHBondContact O-CD 3.45Å; P566-L568 VanDerWaalsContact C-N 3.32Å; P566-L568 PolarHBondContact O-N 3.41Å; P566-H569 WeakPolarHBondContact CA-ND1 3.25Å; P566-H569 WeakPolarHBondContact O-CB 3.27Å; P566-H569 PolarHBondContact O-N 2.91Å; P566-H569 VanDerWaalsContact O-N 3.13Å; P566-H569 PolarHBondContact O-ND1 3.28Å |
| 567 | W | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.4 | -38.2 | -179.4 | -63.2 | 92.3 | 0 | 0 | 0 | 112.8 | F460 S527 M530 I537 T538 I541 Y563 L564 V565 H569 N570 | F460-W567 HydrophobicContact CE1-CH2 4.33Å; F460-W567 AromaticContact CE1-CZ2 3.91Å; F460-W567 HydrophobicContact CE1-CZ2 3.91Å; F460-W567 HydrophobicContact CZ-CH2 4.42Å; F460-W567 HydrophobicContact CZ-CZ2 4.16Å; S527-W567 PolarHBondContact OG-NE1 3.38Å; M530-W567 HydrophobicContact CB-CH2 4.06Å; M530-W567 HydrophobicContact CB-CZ2 3.94Å; I537-W567 HydrophobicContact CD1-CH2 3.74Å; I537-W567 HydrophobicContact CD1-CZ3 4.06Å; I537-W567 HydrophobicContact CG1-CH2 3.87Å; I537-W567 HydrophobicContact CG1-CZ3 3.64Å; T538-W567 HydrophobicContact CG2-CB 4.29Å; T538-W567 WeakPolarHBondContact CG2-O 3.45Å; I541-W567 HydrophobicContact CB-CD2 4.5Å; I541-W567 HydrophobicContact CG1-CH2 4.31Å; I541-W567 HydrophobicContact CG1-CZ2 4.45Å; I541-W567 HydrophobicContact CG1-CZ3 4.36Å; I541-W567 HydrophobicContact CG2-CD2 4.13Å; I541-W567 HydrophobicContact CG2-CG 4.26Å; Y563-W567 VanDerWaalsContact O-CD1 3.27Å; L564-W567 HydrophobicContact CD1-CB 4.37Å; L564-W567 WeakPolarHBondContact O-CB 3.47Å; L564-W567 PolarHBondContact O-N 3.31Å; V565-W567 VanDerWaalsContact C-N 3.34Å; V565-W567 PolarHBondContact O-N 3.08Å; W567-H569 PolarHBondContact O-N 2.89Å; W567-N570 WeakPolarHBondContact O-CB 3.4Å; W567-N570 PolarHBondContact O-N 2.88Å |
| 568 | L | 90.7 | Very high | 87 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.4 | -17.7 | 179.2 | -68.3 | -175.1 | 0 | 0 | 0 | 113.8 | F542 L564 V565 P566 N570 V571 M622 L640 S643 L644 | F542-L568 HydrophobicContact CD2-CD2 3.72Å; F542-L568 HydrophobicContact CE2-CD2 4Å; L564-L568 PolarHBondContact O-N 3.12Å; V565-L568 PolarHBondContact O-N 2.8Å; P566-L568 VanDerWaalsContact C-N 3.32Å; P566-L568 PolarHBondContact O-N 3.41Å; L568-N570 PolarHBondContact O-N 3.39Å; L568-V571 HydrophobicContact CD2-CG2 4.46Å; L568-V571 PolarHBondContact O-N 2.98Å; L568-M622 HydrophobicContact CD1-SD 4.26Å; L568-L640 HydrophobicContact CD1-CB 4.11Å; L568-L640 HydrophobicContact CD1-CD2 3.6Å; L568-L640 HydrophobicContact CD1-CG 4.48Å; L568-L640 HydrophobicContact CG-CD2 4.49Å; L568-S643 VanDerWaalsContact CB-OG 3.27Å; L568-S643 WeakPolarHBondContact CB-OG 3.14Å; L568-L644 HydrophobicContact CB-CD2 4.07Å; L568-L644 HydrophobicContact CB-CG 4.34Å; L568-L644 HydrophobicContact CD1-CD2 4.49Å; L568-L644 HydrophobicContact CD1-CG 4.23Å; L568-L644 HydrophobicContact CD2-CD2 4.13Å; L568-L644 HydrophobicContact CG-CD2 4.46Å |
| 569 | H | 86.7 | Confident | 85.7 | Confident | 50 Ų | 50 | 26 Ų | 26 | 23% | 0.231 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.6 | 174.5 | -66.4 | 85.8 | 0 | 0 | 0 | 112.6 | V565 P566 W567 V571 S643 S646 W648 | V565-H569 PolarHBondContact O-CE1 3.45Å; V565-H569 VanDerWaalsContact O-CE1 3.3Å; V565-H569 PolarHBondContact O-ND1 3.46Å; P566-H569 WeakPolarHBondContact CA-ND1 3.25Å; P566-H569 WeakPolarHBondContact O-CB 3.27Å; P566-H569 PolarHBondContact O-N 2.91Å; P566-H569 VanDerWaalsContact O-N 3.13Å; P566-H569 PolarHBondContact O-ND1 3.28Å; W567-H569 PolarHBondContact O-N 2.89Å; H569-V571 VanDerWaalsContact C-N 3.3Å; H569-S643 VanDerWaalsContact CE1-CB 3.45Å; H569-S643 WeakPolarHBondContact CE1-CB 3.47Å; H569-S646 PolarHBondContact CD2-OG 3.29Å; H569-W648 PolarHBondContact O-NE1 3.48Å |
| 570 | N | 86.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -9.8 | 178.5 | -66.1 | -22.4 | 0 | 0 | 0 | 113.6 | S531 T538 W567 L568 L604 W609 | S531-N570 PolarHBondContact O-ND2 2.92Å; T538-N570 HydrophobicContact CG2-CB 4.33Å; T538-N570 PolarHBondContact OG1-ND2 3.28Å; W567-N570 WeakPolarHBondContact O-CB 3.4Å; W567-N570 PolarHBondContact O-N 2.88Å; L568-N570 PolarHBondContact O-N 3.39Å; N570-L604 HydrophobicContact CB-CD1 4.07Å; N570-W609 PolarHBondContact O-N 3.28Å |
| 571 | V | 87.9 | Confident | 82.1 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -96.1 | 118.1 | -168 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | T538 L568 H569 L573 I618 L644 N651 L808 | T538-V571 HydrophobicContact CG2-CG2 3.98Å; L568-V571 HydrophobicContact CD2-CG2 4.46Å; L568-V571 PolarHBondContact O-N 2.98Å; H569-V571 VanDerWaalsContact C-N 3.3Å; V571-L573 HydrophobicContact CG1-CD2 3.91Å; V571-L573 HydrophobicContact CG1-CG 4.38Å; V571-I618 HydrophobicContact CB-CD1 4.23Å; V571-I618 HydrophobicContact CG1-CD1 3.36Å; V571-I618 HydrophobicContact CG2-CD1 3.87Å; V571-L644 HydrophobicContact CB-CD2 4.08Å; V571-L644 HydrophobicContact CG1-CD2 4.15Å; V571-N651 PolarHBondContact O-ND2 3.48Å; V571-L808 HydrophobicContact CG2-CD1 4.35Å |
| 572 | E | 85.7 | Confident | 79.9 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -99.2 | 120.3 | 162.9 | -176.4 | 162.6 | -155 | 0 | 0 | 109.8 | G608 W609 G610 W648 | E572-G608 VanDerWaalsContact OE2-CA 3.32Å; E572-G608 WeakPolarHBondContact OE2-CA 3.26Å; E572-G608 PolarHBondContact OE2-N 3.15Å; E572-W609 PolarHBondContact N-O 3.28Å; E572-G610 VanDerWaalsContact O-CA 3.22Å; E572-G610 WeakPolarHBondContact O-CA 3.4Å; E572-W648 HydrophobicContact CB-CD2 3.96Å; E572-W648 HydrophobicContact CB-CE3 4.06Å; E572-W648 HydrophobicContact CB-CG 4.24Å; E572-W648 HydrophobicContact CG-CD2 4.36Å; E572-W648 HydrophobicContact CG-CE3 4.09Å; E572-W648 WeakPolarHBondContact OE2-CZ3 3.38Å |
| 573 | L | 88.1 | Confident | 77.5 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 135.9 | -179.7 | -62.9 | 173.7 | 0 | 0 | 0 | 110 | V571 S615 I618 L619 N651 V654 I655 | V571-L573 HydrophobicContact CG1-CD2 3.91Å; V571-L573 HydrophobicContact CG1-CG 4.38Å; L573-S615 WeakPolarHBondContact CA-OG 3.48Å; L573-I618 HydrophobicContact CD2-CB 4.46Å; L573-I618 HydrophobicContact CD2-CD1 4.45Å; L573-I618 HydrophobicContact CD2-CG2 4.41Å; L573-L619 HydrophobicContact CD1-CD2 4.07Å; L573-N651 HydrophobicContact CB-CB 4.44Å; L573-N651 WeakPolarHBondContact CB-OD1 3.26Å; L573-N651 HydrophobicContact CD1-CB 4Å; L573-N651 HydrophobicContact CG-CB 4.35Å; L573-N651 PolarHBondContact N-OD1 2.88Å; L573-V654 HydrophobicContact CB-CB 4.23Å; L573-V654 HydrophobicContact CB-CG1 4.01Å; L573-V654 HydrophobicContact CB-CG2 4.46Å; L573-I655 HydrophobicContact CD1-CD1 3.79Å; L573-I655 HydrophobicContact CD1-CG1 3.51Å |
| 574 | I | 81.9 | Confident | 74.9 | Confident | 50 Ų | 50 | 50 Ų | 50 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | trans | -120.4 | 123.7 | -176 | -52.5 | 176.6 | 0 | 0 | 0 | 108.9 | G610 S615 P805 | I574-G610 VanDerWaalsContact CD1-O 3.32Å; I574-G610 WeakPolarHBondContact CD1-O 3.17Å; I574-S615 PolarHBondContact N-OG 3.45Å; I574-S615 PolarHBondContact O-OG 3.2Å; I574-P805 HydrophobicContact CD1-CB 4.33Å; I574-P805 HydrophobicContact CD1-CG 3.27Å; I574-P805 HydrophobicContact CG1-CG 3.79Å | ||
| 575 | D | 82.4 | Confident | 72.3 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 16% | 0.16 | 29% | 0.291 | C | S | . | . | trans | -116.9 | 110.6 | 165.4 | 176.7 | 4.3 | 0 | 0 | 0 | 108.8 | F577 L578 V654 R657 | D575-F577 PolarHBondContact O-N 3.49Å; D575-F577 VanDerWaalsContact O-N 3.1Å; D575-F577 WeakPolarHBondContact OD1-CB 3.18Å; D575-F577 PolarHBondContact OD1-N 2.82Å; D575-L578 HydrophobicContact CB-CB 4.11Å; D575-L578 HydrophobicContact CB-CD1 3.87Å; D575-L578 PolarHBondContact O-N 2.62Å; D575-L578 WeakPolarHBondContact OD2-CD1 3.46Å; D575-V654 HydrophobicContact CB-CG1 4.07Å; D575-V654 HydrophobicContact CB-CG2 4.14Å; D575-R657 IonicContact OD1-NH1 2.83Å; D575-R657 VanDerWaalsContact OD2-CD 3.31Å; D575-R657 WeakPolarHBondContact OD2-CD 3.27Å; D575-R657 IonicContact OD2-CZ 2.88Å; D575-R657 IonicContact OD2-NE 2.79Å; D575-R657 IonicContact OD2-NH1 3.39Å; D575-R657 PolarHBondContact OD2-NH1 2.73Å | ||
| 576 | P | 75.4 | Confident | 69.8 | Low | 76 Ų | 76 | 58.6 Ų | 58.6 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.8 | 178.8 | -22.1 | 32.4 | 0 | 0 | 0 | 114.7 | A612 | P576-A612 HydrophobicContact CG-CB 4.1Š|
| 577 | F | 72.1 | Confident | 67.4 | Low | 59 Ų | 59 | 61.6 Ų | 61.6 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 6.3 | -176.8 | -61.7 | -89.4 | 0 | 0 | 0 | 113 | D575 R657 W718 R720 | D575-F577 PolarHBondContact O-N 3.49Å; D575-F577 VanDerWaalsContact O-N 3.1Å; D575-F577 WeakPolarHBondContact OD1-CB 3.18Å; D575-F577 PolarHBondContact OD1-N 2.82Å; F577-R657 PolarHBondContact O-NH1 3.32Å; F577-W718 HydrophobicContact CD1-CB 3.76Å; F577-W718 HydrophobicContact CD1-CG 4.2Å; F577-W718 HydrophobicContact CD2-CB 4.03Å; F577-W718 AromaticContact CD2-CD1 3.45Å; F577-W718 VanDerWaalsContact CD2-CD1 3.45Å; F577-W718 AromaticContact CD2-CG 3.95Å; F577-W718 HydrophobicContact CD2-CG 3.95Å; F577-W718 HydrophobicContact CE1-CB 3.54Å; F577-W718 HydrophobicContact CE1-CG 4.39Å; F577-W718 HydrophobicContact CE2-CB 3.84Å; F577-W718 AromaticContact CE2-CD1 3.79Å; F577-W718 HydrophobicContact CE2-CG 4.17Å; F577-W718 HydrophobicContact CG-CB 4Å; F577-W718 AromaticContact CG-CD1 3.83Å; F577-W718 AromaticContact CG-CG 3.98Å; F577-W718 HydrophobicContact CG-CG 3.98Å; F577-W718 HydrophobicContact CZ-CB 3.59Å; F577-W718 HydrophobicContact CZ-CG 4.38Å; F577-R720 HydrophobicContact CE1-CG 3.66Å; F577-R720 HydrophobicContact CZ-CG 4.26Å |
| 578 | L | 71.7 | Confident | 65.1 | Low | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -100.4 | 124.8 | -179.9 | -118.6 | 153.4 | 0 | 0 | 0 | 109.1 | D575 R653 V654 | D575-L578 HydrophobicContact CB-CB 4.11Å; D575-L578 HydrophobicContact CB-CD1 3.87Å; D575-L578 PolarHBondContact O-N 2.62Å; D575-L578 WeakPolarHBondContact OD2-CD1 3.46Å; L578-R653 HydrophobicContact CD1-CB 4.48Å; L578-R653 HydrophobicContact CD2-CB 4.27Å; L578-V654 HydrophobicContact CD1-CB 4.46Å; L578-V654 HydrophobicContact CD1-CG2 3.94Å |
| 579 | E | 62.4 | Low | 62.8 | Low | 95 Ų | 95 | 70.2 Ų | 70.2 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.4 | 179.5 | -80 | -179.2 | -167.1 | 0 | 0 | 112.1 | R704 | E579-R704 IonicContact OE1-NH1 2.91Å; E579-R704 PolarHBondContact OE1-NH1 2.92Å; E579-R704 IonicContact OE2-NH1 3.44Å |
| 580 | P | 57.2 | Low | 60.8 | Low | 95 Ų | 95 | 70.1 Ų | 70.1 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 144.6 | 173.9 | -21.8 | 31.6 | 0 | 0 | 0 | 112.4 | D582 | P580-D582 PolarHBondContact O-N 3.14Š|
| 581 | P | 51.6 | Low | 59.1 | Low | 67 Ų | 67 | 70.7 Ų | 70.7 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -63 | -18.1 | -171.5 | 24.3 | -33.9 | 0 | 0 | 0 | 115.1 | R583 A584 | P581-R583 PolarHBondContact O-N 3.43Å; P581-A584 WeakPolarHBondContact O-CB 3.46Å; P581-A584 PolarHBondContact O-N 3Å |
| 582 | D | 46.2 | Very low | 57.4 | Low | 160 Ų | 160 | 77 Ų | 77 | 86% | 0.856 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -61.4 | -18 | -175.2 | -72.3 | -18.5 | 0 | 0 | 0 | 114.6 | P580 | P580-D582 PolarHBondContact O-N 3.14Š|
| 583 | R | 40.7 | Very low | 55.8 | Low | 208 Ų | 208 | 79.3 Ų | 79.3 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -94.9 | -7.6 | 174.5 | -73.4 | -173.1 | 177.9 | 178.7 | 0.4 | 114.7 | P581 | P581-R583 PolarHBondContact O-N 3.43Š|
| 584 | A | 39.6 | Very low | 54.1 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -74 | 129.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P581 A586 | P581-A584 WeakPolarHBondContact O-CB 3.46Å; P581-A584 PolarHBondContact O-N 3Å; A584-A586 PolarHBondContact O-N 3.02Å |
| 585 | P | 39.5 | Very low | 52.9 | Low | 95 Ų | 95 | 82.9 Ų | 82.9 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | trans | -55.2 | 132 | -175.8 | 19.3 | -29.6 | 0 | 0 | 0 | 111 | L587 | P585-L587 PolarHBondContact O-N 3.3Š| ||
| 586 | A | 38.5 | Very low | 51.5 | Low | 108 Ų | 108 | 85.3 Ų | 85.3 | 89% | 0.893 | 49% | 0.485 | S | S | * | . | trans | -43.1 | 104.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A584 | A584-A586 PolarHBondContact O-N 3.02Š| ||
| 587 | L | 38.3 | Very low | 50.6 | Low | 73 Ų | 73 | 87 Ų | 87 | 38% | 0.382 | 49% | 0.486 | S | S | . | . | trans | -62.8 | 152.8 | 179.9 | -68.9 | 165 | 0 | 0 | 0 | 111.3 | P585 A591 N691 | P585-L587 PolarHBondContact O-N 3.3Å; L587-A591 HydrophobicContact CB-CB 3.99Å; L587-N691 HydrophobicContact CD2-CB 4.06Å | ||
| 588 | S | 44.8 | Very low | 49.8 | Very low | 62 Ų | 62 | 84.5 Ų | 84.5 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | trans | -47 | 146.5 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | S590 A591 | S588-S590 PolarHBondContact O-N 3.11Å; S588-A591 WeakPolarHBondContact O-CB 3.42Å; S588-A591 PolarHBondContact O-N 2.65Å | ||
| 589 | L | 42.7 | Very low | 49.2 | Very low | 121 Ų | 121 | 86 Ų | 86 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -48.4 | -29 | 177.5 | -82.1 | 154.6 | 0 | 0 | 0 | 113.3 | K592 V593 F1126 | L589-K592 PolarHBondContact O-N 3.4Å; L589-V593 PolarHBondContact O-N 2.78Å; L589-F1126 HydrophobicContact CD1-CE2 4.01Å; L589-F1126 HydrophobicContact CD1-CZ 3.78Å |
| 590 | S | 44.2 | Very low | 48.7 | Very low | 48 Ų | 48 | 85.7 Ų | 85.7 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 177.4 | -165.7 | 0 | 0 | 0 | 0 | 113.6 | S588 K592 V593 S594 E687 | S588-S590 PolarHBondContact O-N 3.11Å; S590-K592 VanDerWaalsContact C-N 3.25Å; S590-K592 PolarHBondContact O-N 2.98Å; S590-V593 WeakPolarHBondContact O-CB 3.26Å; S590-V593 PolarHBondContact O-N 2.71Å; S590-S594 PolarHBondContact O-N 2.92Å; S590-E687 WeakPolarHBondContact CB-OE2 3.32Å; S590-E687 PolarHBondContact OG-OE1 2.85Å; S590-E687 VanDerWaalsContact OG-OE1 3.08Å; S590-E687 PolarHBondContact OG-OE2 3Å |
| 591 | A | 50.6 | Low | 48.7 | Very low | 13 Ų | 13 | 88.4 Ų | 88.4 | 11% | 0.107 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.1 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L587 S588 S594 E595 | L587-A591 HydrophobicContact CB-CB 3.99Å; S588-A591 WeakPolarHBondContact O-CB 3.42Å; S588-A591 PolarHBondContact O-N 2.65Å; A591-S594 PolarHBondContact O-N 2.85Å; A591-E595 PolarHBondContact O-N 3.25Å |
| 592 | K | 52.4 | Low | 49.1 | Very low | 135 Ų | 135 | 89.4 Ų | 89.4 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.3 | -33.2 | 175.2 | -68.8 | -170.7 | 175.2 | -176.4 | 0 | 113 | L589 S590 S596 | L589-K592 PolarHBondContact O-N 3.4Å; S590-K592 VanDerWaalsContact C-N 3.25Å; S590-K592 PolarHBondContact O-N 2.98Å; K592-S596 PolarHBondContact O-N 2.74Å; K592-S596 PolarHBondContact O-OG 3.4Å |
| 593 | V | 52 | Low | 49.6 | Very low | 85 Ų | 85 | 84.9 Ų | 84.9 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 173.3 | 179.4 | 0 | 0 | 0 | 0 | 110 | L589 S590 E595 S596 Q597 | L589-V593 PolarHBondContact O-N 2.78Å; S590-V593 WeakPolarHBondContact O-CB 3.26Å; S590-V593 PolarHBondContact O-N 2.71Å; V593-E595 VanDerWaalsContact C-N 3.34Å; V593-E595 PolarHBondContact O-N 2.86Å; V593-S596 WeakPolarHBondContact O-CB 3.13Å; V593-S596 PolarHBondContact O-N 3.21Å; V593-Q597 PolarHBondContact O-N 3.14Å |
| 594 | S | 52.4 | Low | 50.3 | Low | 35 Ų | 35 | 76.3 Ų | 76.3 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 175.1 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | S590 A591 Q597 A598 R688 | S590-S594 PolarHBondContact O-N 2.92Å; A591-S594 PolarHBondContact O-N 2.85Å; S594-Q597 PolarHBondContact O-N 3.33Å; S594-A598 WeakPolarHBondContact O-CB 3.43Å; S594-A598 PolarHBondContact O-N 2.89Å; S594-R688 PolarHBondContact OG-NH2 3.35Å |
| 595 | E | 56.2 | Low | 50.9 | Low | 94 Ų | 94 | 85 Ų | 85 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 170.2 | -82.3 | 178.4 | 170.7 | 0 | 0 | 112.2 | A591 V593 Q597 A598 V599 | A591-E595 PolarHBondContact O-N 3.25Å; V593-E595 VanDerWaalsContact C-N 3.34Å; V593-E595 PolarHBondContact O-N 2.86Å; E595-Q597 VanDerWaalsContact C-N 3.3Å; E595-Q597 PolarHBondContact O-N 3.18Å; E595-A598 PolarHBondContact O-N 2.97Å; E595-V599 WeakPolarHBondContact O-CB 3.08Å; E595-V599 WeakPolarHBondContact O-CG2 3.17Å; E595-V599 PolarHBondContact O-N 3.35Å |
| 596 | S | 52.3 | Low | 51.7 | Low | 81 Ų | 81 | 82.5 Ų | 82.5 | 57% | 0.566 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 178.4 | -56.7 | 0 | 0 | 0 | 0 | 112 | K592 V593 A600 | K592-S596 PolarHBondContact O-N 2.74Å; K592-S596 PolarHBondContact O-OG 3.4Å; V593-S596 WeakPolarHBondContact O-CB 3.13Å; V593-S596 PolarHBondContact O-N 3.21Å; S596-A600 PolarHBondContact O-N 3.47Å; S596-A600 VanDerWaalsContact O-N 3.11Å |
| 597 | Q | 58.4 | Low | 52.5 | Low | 112 Ų | 112 | 80.3 Ų | 80.3 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 174.1 | -69.9 | -178.1 | 0.1 | 0 | 0 | 112.8 | V593 S594 E595 A600 R601 | V593-Q597 PolarHBondContact O-N 3.14Å; S594-Q597 PolarHBondContact O-N 3.33Å; E595-Q597 VanDerWaalsContact C-N 3.3Å; E595-Q597 PolarHBondContact O-N 3.18Å; Q597-A600 PolarHBondContact O-N 3.44Å; Q597-R601 PolarHBondContact O-N 2.77Å |
| 598 | A | 55.2 | Low | 53.5 | Low | 5 Ų | 5 | 76.8 Ų | 76.8 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S594 E595 A600 R601 R602 | S594-A598 WeakPolarHBondContact O-CB 3.43Å; S594-A598 PolarHBondContact O-N 2.89Å; E595-A598 PolarHBondContact O-N 2.97Å; A598-A600 VanDerWaalsContact C-N 3.29Å; A598-A600 PolarHBondContact O-N 3.08Å; A598-R601 PolarHBondContact O-N 3.08Å; A598-R602 PolarHBondContact O-N 3.03Å |
| 599 | V | 57.6 | Low | 54.6 | Low | 79 Ų | 79 | 77 Ų | 77 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 175.3 | 173 | 0 | 0 | 0 | 0 | 111.1 | E595 R601 R602 | E595-V599 WeakPolarHBondContact O-CB 3.08Å; E595-V599 WeakPolarHBondContact O-CG2 3.17Å; E595-V599 PolarHBondContact O-N 3.35Å; V599-R601 VanDerWaalsContact C-N 3.25Å; V599-R601 PolarHBondContact O-N 3.25Å; V599-R602 PolarHBondContact O-N 2.71Å |
| 600 | A | 52.5 | Low | 56.2 | Low | 87 Ų | 87 | 71.3 Ų | 71.3 | 72% | 0.719 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.3 | -22.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S596 Q597 A598 | S596-A600 PolarHBondContact O-N 3.47Å; S596-A600 VanDerWaalsContact O-N 3.11Å; Q597-A600 PolarHBondContact O-N 3.44Å; A598-A600 VanDerWaalsContact C-N 3.29Å; A598-A600 PolarHBondContact O-N 3.08Å |
| 601 | R | 56.9 | Low | 58 | Low | 153 Ų | 153 | 70 Ų | 70 | 58% | 0.577 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -3.5 | 176.9 | -72.1 | -178.4 | -177.7 | 154 | 1.7 | 114 | Q597 A598 V599 V603 | Q597-R601 PolarHBondContact O-N 2.77Å; A598-R601 PolarHBondContact O-N 3.08Å; V599-R601 VanDerWaalsContact C-N 3.25Å; V599-R601 PolarHBondContact O-N 3.25Å; R601-V603 PolarHBondContact O-N 3.29Å; R601-V603 VanDerWaalsContact O-N 3.12Å |
| 602 | R | 60.4 | Low | 59.5 | Low | 87 Ų | 87 | 71 Ų | 71 | 33% | 0.328 | 38% | 0.378 | S | S | . | . | trans | -66.6 | 115.2 | 179 | -72.5 | -176.1 | -173.1 | 167.5 | 2.6 | 110 | A598 V599 C647 | A598-R602 PolarHBondContact O-N 3.03Å; V599-R602 PolarHBondContact O-N 2.71Å; R602-C647 PolarHBondContact NE-O 3.33Å | ||
| 603 | V | 56 | Low | 60.9 | Low | 65 Ų | 65 | 68.8 Ų | 68.8 | 39% | 0.394 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -68.4 | -39.2 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | Q532 R601 | Q532-V603 HydrophobicContact CG-CG1 3.53Å; R601-V603 PolarHBondContact O-N 3.29Å; R601-V603 VanDerWaalsContact O-N 3.12Å |
| 604 | L | 56.5 | Low | 62.5 | Low | 28 Ų | 28 | 64.8 Ų | 64.8 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -90 | 136 | 179.7 | -62.2 | 170.1 | 0 | 0 | 0 | 111.3 | P535 N570 G606 | P535-L604 HydrophobicContact CB-CD2 4.18Å; P535-L604 HydrophobicContact CG-CD2 4.26Å; N570-L604 HydrophobicContact CB-CD1 4.07Å; L604-G606 PolarHBondContact O-N 3.14Å |
| 605 | K | 52.4 | Low | 64.2 | Low | 220 Ų | 220 | 63.3 Ų | 63.3 | 96% | 0.957 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -79.2 | 100 | 172.6 | -76.1 | -179.7 | 180 | 168 | 0 | 109.9 | ||
| 606 | G | 55.1 | Low | 65.8 | Low | 42 Ų | 42 | 62.2 Ų | 62.2 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 134.3 | -154.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L604 | L604-G606 PolarHBondContact O-N 3.14Š|
| 607 | E | 55.3 | Low | 67.6 | Low | 61 Ų | 61 | 58.4 Ų | 58.4 | 29% | 0.285 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -69.7 | 147.9 | 164 | -59.8 | -175.2 | 154.8 | 0 | 0 | 108.8 | S803 N804 P805 | E607-S803 WeakPolarHBondContact OE1-CA 3.34Å; E607-S803 VanDerWaalsContact OE2-C 3.26Å; E607-N804 PolarHBondContact OE2-N 2.91Å; E607-P805 HydrophobicContact CB-CB 4.45Å |
| 608 | G | 59.1 | Low | 69.2 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -71.6 | 178.5 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | E572 P805 F806 | E572-G608 VanDerWaalsContact OE2-CA 3.32Å; E572-G608 WeakPolarHBondContact OE2-CA 3.26Å; E572-G608 PolarHBondContact OE2-N 3.15Å; G608-P805 CarbonylContact O-C 3.12Å; G608-P805 WeakPolarHBondContact O-CA 3.27Å; G608-P805 WeakPolarHBondContact O-CB 3.41Å; G608-F806 PolarHBondContact O-N 3.45Å | ||
| 609 | W | 67.6 | Low | 71.1 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 25% | 0.254 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -101.3 | 130.1 | 175.8 | -60.4 | 44.5 | 0 | 0 | 0 | 109.1 | N570 E572 F806 L808 | N570-W609 PolarHBondContact O-N 3.28Å; E572-W609 PolarHBondContact N-O 3.28Å; W609-F806 CarbonylContact C-O 3.56Å; W609-F806 WeakPolarHBondContact CA-O 3.3Å; W609-F806 HydrophobicContact CD2-CB 3.95Å; W609-F806 HydrophobicContact CE3-CB 4.43Å; W609-F806 HydrophobicContact CG-CB 4.01Å; W609-L808 HydrophobicContact CB-CD1 4.11Å; W609-L808 HydrophobicContact CB-CD2 3.63Å; W609-L808 HydrophobicContact CB-CG 3.45Å; W609-L808 VanDerWaalsContact CB-CG 3.45Å; W609-L808 HydrophobicContact CE3-CD2 4.18Å; W609-L808 HydrophobicContact CG-CD2 4.41Å; W609-L808 WeakPolarHBondContact O-CD1 3.27Å |
| 610 | G | 77.3 | Confident | 72.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | -166.3 | 152.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E572 I574 F806 | E572-G610 VanDerWaalsContact O-CA 3.22Å; E572-G610 WeakPolarHBondContact O-CA 3.4Å; I574-G610 VanDerWaalsContact CD1-O 3.32Å; I574-G610 WeakPolarHBondContact CD1-O 3.17Å; G610-F806 PolarHBondContact N-O 3.48Å | ||
| 611 | S | 82.1 | Confident | 74.7 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | trans | -144.5 | 159.2 | 166.3 | 73.7 | 0 | 0 | 0 | 0 | 108.8 | Q613 A614 S615 | S611-Q613 VanDerWaalsContact C-N 3.28Å; S611-Q613 PolarHBondContact O-N 3.37Å; S611-A614 PolarHBondContact O-N 3.19Å; S611-A614 WeakPolarHBondContact OG-CB 3Å; S611-A614 PolarHBondContact OG-N 3.47Å; S611-S615 WeakPolarHBondContact O-CB 3.41Å; S611-S615 PolarHBondContact O-N 3.34Å; S611-S615 PolarHBondContact O-OG 3.06Å | ||
| 612 | A | 80.7 | Confident | 76.6 | Confident | 35 Ų | 35 | 38 Ų | 38 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P576 A614 S615 E616 | P576-A612 HydrophobicContact CG-CB 4.1Å; A612-A614 PolarHBondContact O-N 2.99Å; A612-S615 WeakPolarHBondContact O-CB 3.29Å; A612-S615 PolarHBondContact O-N 3.45Å; A612-S615 VanDerWaalsContact O-N 3.16Å; A612-E616 WeakPolarHBondContact O-CG 2.96Å; A612-E616 PolarHBondContact O-N 3.39Å |
| 613 | Q | 82.1 | Confident | 78.1 | Confident | 88 Ų | 88 | 33.9 Ų | 33.9 | 41% | 0.411 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 177.9 | -164.6 | -177.8 | 1.9 | 0 | 0 | 112.7 | S611 S615 E616 M617 M810 Y817 | S611-Q613 VanDerWaalsContact C-N 3.28Å; S611-Q613 PolarHBondContact O-N 3.37Å; Q613-S615 VanDerWaalsContact C-N 3.3Å; Q613-S615 PolarHBondContact O-N 3.02Å; Q613-E616 PolarHBondContact O-N 3.01Å; Q613-M617 PolarHBondContact O-N 3.44Å; Q613-M810 HydrophobicContact CG-CE 4.01Å; Q613-Y817 PolarHBondContact O-OH 2.7Å |
| 614 | A | 86.3 | Confident | 80 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M539 S611 A612 M617 I618 M810 | M539-A614 HydrophobicContact CE-CB 3.59Å; M539-A614 HydrophobicContact CG-CB 4.4Å; M539-A614 HydrophobicContact SD-CB 3.9Å; S611-A614 PolarHBondContact O-N 3.19Å; S611-A614 WeakPolarHBondContact OG-CB 3Å; S611-A614 PolarHBondContact OG-N 3.47Å; A612-A614 PolarHBondContact O-N 2.99Å; A614-M617 PolarHBondContact O-N 3.36Å; A614-I618 WeakPolarHBondContact O-CB 3.32Å; A614-I618 WeakPolarHBondContact O-CG1 3.49Å; A614-I618 PolarHBondContact O-N 3.02Å; A614-M810 HydrophobicContact CB-SD 3.67Å |
| 615 | S | 89.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 179.1 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | L573 I574 S611 A612 Q613 I618 L619 | L573-S615 WeakPolarHBondContact CA-OG 3.48Å; I574-S615 PolarHBondContact N-OG 3.45Å; I574-S615 PolarHBondContact O-OG 3.2Å; S611-S615 WeakPolarHBondContact O-CB 3.41Å; S611-S615 PolarHBondContact O-N 3.34Å; S611-S615 PolarHBondContact O-OG 3.06Å; A612-S615 WeakPolarHBondContact O-CB 3.29Å; A612-S615 PolarHBondContact O-N 3.45Å; A612-S615 VanDerWaalsContact O-N 3.16Å; Q613-S615 VanDerWaalsContact C-N 3.3Å; Q613-S615 PolarHBondContact O-N 3.02Å; S615-I618 PolarHBondContact O-N 3.47Å; S615-L619 VanDerWaalsContact O-CB 3.3Å; S615-L619 WeakPolarHBondContact O-CB 2.98Å; S615-L619 WeakPolarHBondContact O-CG 3.45Å; S615-L619 PolarHBondContact O-N 2.86Å |
| 616 | E | 88.3 | Confident | 83.6 | Confident | 71 Ų | 71 | 19.8 Ų | 19.8 | 33% | 0.332 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60 | -46.4 | 175.2 | -70.1 | 170.1 | -178.1 | 0 | 0 | 111.9 | A612 Q613 N620 P714 | A612-E616 WeakPolarHBondContact O-CG 2.96Å; A612-E616 PolarHBondContact O-N 3.39Å; Q613-E616 PolarHBondContact O-N 3.01Å; E616-N620 WeakPolarHBondContact O-CB 3.28Å; E616-N620 PolarHBondContact O-N 3.43Å; E616-P714 HydrophobicContact CG-CB 4.36Å; E616-P714 HydrophobicContact CG-CG 3.98Å |
| 617 | M | 90 | Very high | 85.3 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 179.1 | -167.1 | -176.9 | 88 | 0 | 0 | 112 | M539 F542 Q613 A614 N621 M810 Y817 | M539-M617 HydrophobicContact CE-CE 3.29Å; M539-M617 HydrophobicContact CE-SD 4.42Å; F542-M617 HydrophobicContact CD1-CE 3.7Å; F542-M617 HydrophobicContact CE1-CE 4.26Å; Q613-M617 PolarHBondContact O-N 3.44Å; A614-M617 PolarHBondContact O-N 3.36Å; M617-N621 VanDerWaalsContact O-CB 3.27Å; M617-N621 WeakPolarHBondContact O-CB 3.45Å; M617-N621 PolarHBondContact O-N 3.48Å; M617-N621 PolarHBondContact O-OD1 3.03Å; M617-M810 HydrophobicContact SD-CE 4.1Å; M617-Y817 HydrophobicContact CB-CD1 4.43Å; M617-Y817 HydrophobicContact CB-CE1 3.82Å; M617-Y817 HydrophobicContact CB-CE2 4.28Å; M617-Y817 HydrophobicContact CG-CD1 4.33Å; M617-Y817 HydrophobicContact CG-CD2 4.3Å; M617-Y817 HydrophobicContact CG-CE1 4.15Å; M617-Y817 HydrophobicContact CG-CE2 4.09Å; M617-Y817 HydrophobicContact CG-CG 4.42Å; M617-Y817 HydrophobicContact SD-CE2 4.45Å |
| 618 | I | 92.9 | Very high | 87 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 179.6 | -67.3 | 170 | 0 | 0 | 0 | 110.6 | M539 F542 V571 L573 A614 S615 N621 M622 L644 | M539-I618 HydrophobicContact CE-CD1 4.11Å; M539-I618 HydrophobicContact CE-CG1 4Å; M539-I618 HydrophobicContact SD-CD1 3.73Å; M539-I618 HydrophobicContact SD-CG1 4.22Å; F542-I618 HydrophobicContact CD1-CG1 3.99Å; F542-I618 HydrophobicContact CE1-CB 4.21Å; F542-I618 HydrophobicContact CE1-CG1 3.82Å; F542-I618 HydrophobicContact CZ-CB 4.38Å; F542-I618 HydrophobicContact CZ-CG1 4.3Å; F542-I618 HydrophobicContact CZ-CG2 4.27Å; V571-I618 HydrophobicContact CB-CD1 4.23Å; V571-I618 HydrophobicContact CG1-CD1 3.36Å; V571-I618 HydrophobicContact CG2-CD1 3.87Å; L573-I618 HydrophobicContact CD2-CB 4.46Å; L573-I618 HydrophobicContact CD2-CD1 4.45Å; L573-I618 HydrophobicContact CD2-CG2 4.41Å; A614-I618 WeakPolarHBondContact O-CB 3.32Å; A614-I618 WeakPolarHBondContact O-CG1 3.49Å; A614-I618 PolarHBondContact O-N 3.02Å; S615-I618 PolarHBondContact O-N 3.47Å; I618-N621 PolarHBondContact O-N 3.11Å; I618-M622 HydrophobicContact CG2-CG 4.02Å; I618-M622 WeakPolarHBondContact O-CB 3.3Å; I618-M622 WeakPolarHBondContact O-CG 3.42Å; I618-M622 PolarHBondContact O-N 3.42Å; I618-L644 HydrophobicContact CG2-CD1 4.12Å; I618-L644 HydrophobicContact CG2-CD2 4.29Å |
| 619 | L | 93.7 | Very high | 88.4 | Confident | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | -178.8 | -68.4 | 172.8 | 0 | 0 | 0 | 112 | L573 S615 L623 W641 V654 I655 Y658 | L573-L619 HydrophobicContact CD1-CD2 4.07Å; S615-L619 VanDerWaalsContact O-CB 3.3Å; S615-L619 WeakPolarHBondContact O-CB 2.98Å; S615-L619 WeakPolarHBondContact O-CG 3.45Å; S615-L619 PolarHBondContact O-N 2.86Å; L619-L623 VanDerWaalsContact O-CB 3.27Å; L619-L623 WeakPolarHBondContact O-CB 3.48Å; L619-L623 PolarHBondContact O-N 2.87Å; L619-W641 HydrophobicContact CD2-CZ3 4.41Å; L619-V654 HydrophobicContact CD1-CG1 4.27Å; L619-I655 HydrophobicContact CD2-CB 4.42Å; L619-I655 HydrophobicContact CD2-CG1 3.75Å; L619-I655 HydrophobicContact CD2-CG2 4.39Å; L619-Y658 HydrophobicContact CB-CD1 3.99Å; L619-Y658 HydrophobicContact CB-CD2 4.01Å; L619-Y658 HydrophobicContact CB-CE1 3.81Å; L619-Y658 HydrophobicContact CB-CE2 3.86Å; L619-Y658 HydrophobicContact CB-CG 4.09Å; L619-Y658 HydrophobicContact CD1-CD1 4.38Å; L619-Y658 HydrophobicContact CD1-CD2 3.92Å; L619-Y658 HydrophobicContact CD1-CG 3.83Å; L619-Y658 HydrophobicContact CD2-CD1 4.23Å; L619-Y658 HydrophobicContact CD2-CG 4.45Å; L619-Y658 HydrophobicContact CG-CD1 4.43Å; L619-Y658 HydrophobicContact CG-CG 4.35Å; L619-Y658 PolarHBondContact O-OH 3.39Å |
| 620 | N | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.6 | -53.1 | 174.9 | 178.8 | 68.5 | 0 | 0 | 0 | 111.4 | E616 L623 Y624 Y658 Y715 Y817 C818 L820 | E616-N620 WeakPolarHBondContact O-CB 3.28Å; E616-N620 PolarHBondContact O-N 3.43Å; N620-L623 PolarHBondContact O-N 3.41Å; N620-Y624 WeakPolarHBondContact O-CB 3.37Å; N620-Y624 PolarHBondContact O-N 3.01Å; N620-Y658 WeakPolarHBondContact CA-OH 3.25Å; N620-Y715 WeakPolarHBondContact OD1-CE2 3.48Å; N620-Y817 HydrophobicContact CB-CD1 4.31Å; N620-C818 PolarHBondContact ND2-N 3.22Å; N620-C818 PolarHBondContact ND2-O 3.37Å; N620-L820 VanDerWaalsContact OD1-CB 3.28Å; N620-L820 WeakPolarHBondContact OD1-CB 3.49Å; N620-L820 WeakPolarHBondContact OD1-CD2 3.37Å |
| 621 | N | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.8 | -42.9 | -176.1 | -67 | 2.8 | 0 | 0 | 0 | 111.5 | F542 S546 M617 I618 L623 Y624 I625 H816 Y817 C818 | F542-N621 HydrophobicContact CE1-CB 3.82Å; F542-N621 HydrophobicContact CZ-CB 3.81Å; S546-N621 VanDerWaalsContact CB-ND2 3.34Å; S546-N621 WeakPolarHBondContact CB-ND2 3.16Å; S546-N621 PolarHBondContact OG-ND2 3.09Å; M617-N621 VanDerWaalsContact O-CB 3.27Å; M617-N621 WeakPolarHBondContact O-CB 3.45Å; M617-N621 PolarHBondContact O-N 3.48Å; M617-N621 PolarHBondContact O-OD1 3.03Å; I618-N621 PolarHBondContact O-N 3.11Å; N621-L623 PolarHBondContact O-N 3.29Å; N621-Y624 PolarHBondContact O-N 3.1Å; N621-I625 WeakPolarHBondContact O-CB 3.5Å; N621-I625 WeakPolarHBondContact O-CD1 3.5Å; N621-I625 WeakPolarHBondContact O-CG1 3.24Å; N621-I625 PolarHBondContact O-N 3.42Å; N621-H816 PolarHBondContact ND2-O 3.39Å; N621-H816 PolarHBondContact OD1-O 3.37Å; N621-Y817 WeakPolarHBondContact OD1-CA 3.28Å; N621-C818 PolarHBondContact OD1-N 2.93Å |
| 622 | M | 95.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.9 | -78.2 | -65.4 | -66.3 | 0 | 0 | 111.9 | F542 L568 I618 T626 L640 W641 L644 | F542-M622 HydrophobicContact CE2-CG 4.24Å; F542-M622 HydrophobicContact CE2-SD 4.15Å; F542-M622 HydrophobicContact CZ-CG 4.04Å; F542-M622 HydrophobicContact CZ-SD 4.47Å; L568-M622 HydrophobicContact CD1-SD 4.26Å; I618-M622 HydrophobicContact CG2-CG 4.02Å; I618-M622 WeakPolarHBondContact O-CB 3.3Å; I618-M622 WeakPolarHBondContact O-CG 3.42Å; I618-M622 PolarHBondContact O-N 3.42Å; M622-T626 VanDerWaalsContact O-CB 3.31Å; M622-T626 WeakPolarHBondContact O-CB 3.41Å; M622-T626 PolarHBondContact O-N 2.7Å; M622-T626 PolarHBondContact O-OG1 3.34Å; M622-L640 HydrophobicContact CE-CB 3.67Å; M622-L640 HydrophobicContact SD-CB 4.42Å; M622-W641 HydrophobicContact CB-CH2 3.54Å; M622-W641 HydrophobicContact CB-CZ2 3.53Å; M622-W641 HydrophobicContact CB-CZ3 4.17Å; M622-W641 HydrophobicContact CE-CD2 3.64Å; M622-W641 HydrophobicContact CE-CE3 4.13Å; M622-W641 HydrophobicContact CE-CG 3.85Å; M622-W641 HydrophobicContact CE-CZ2 4.23Å; M622-L644 HydrophobicContact CE-CD1 4.48Å; M622-L644 HydrophobicContact CG-CD1 4.39Å |
| 623 | L | 93.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.4 | -47.1 | 175.8 | -176.1 | 58.4 | 0 | 0 | 0 | 110.9 | L619 N620 N621 I625 T626 V627 Y658 L659 M662 L670 I677 L820 | L619-L623 VanDerWaalsContact O-CB 3.27Å; L619-L623 WeakPolarHBondContact O-CB 3.48Å; L619-L623 PolarHBondContact O-N 2.87Å; N620-L623 PolarHBondContact O-N 3.41Å; N621-L623 PolarHBondContact O-N 3.29Å; L623-I625 PolarHBondContact O-N 2.97Å; L623-T626 WeakPolarHBondContact O-CA 3.32Å; L623-T626 WeakPolarHBondContact O-CB 3.48Å; L623-T626 PolarHBondContact O-N 3.26Å; L623-T626 VanDerWaalsContact O-N 3.08Å; L623-V627 HydrophobicContact CD1-CG2 4.45Å; L623-V627 WeakPolarHBondContact O-CG2 3.47Å; L623-V627 PolarHBondContact O-N 3.34Å; L623-Y658 HydrophobicContact CB-CE1 4.2Å; L623-Y658 HydrophobicContact CD2-CE1 3.76Å; L623-L659 HydrophobicContact CD1-CD2 4.13Å; L623-M662 HydrophobicContact CD2-CB 4.13Å; L623-M662 HydrophobicContact CD2-CG 3.93Å; L623-M662 HydrophobicContact CD2-SD 4.42Å; L623-L670 HydrophobicContact CD2-CD1 4.44Å; L623-I677 HydrophobicContact CD1-CD1 3.95Å; L623-L820 HydrophobicContact CB-CD2 4.5Å; L623-L820 HydrophobicContact CD2-CD1 4.38Å; L623-L820 HydrophobicContact CD2-CD2 3.92Å; L623-L820 HydrophobicContact CG-CD1 4.21Å; L623-L820 HydrophobicContact CG-CD2 4.39Å |
| 624 | Y | 94 | Very high | 90 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 176.2 | 177.4 | -89.3 | 0 | 0 | 0 | 112.6 | Q550 N620 N621 T626 V627 Q628 C818 P819 L820 F823 | Q550-Y624 HydrophobicContact CG-CE1 4.32Å; N620-Y624 WeakPolarHBondContact O-CB 3.37Å; N620-Y624 PolarHBondContact O-N 3.01Å; N621-Y624 PolarHBondContact O-N 3.1Å; Y624-T626 PolarHBondContact O-N 2.89Å; Y624-V627 PolarHBondContact O-N 2.85Å; Y624-V627 VanDerWaalsContact O-N 3.13Å; Y624-Q628 HydrophobicContact CD1-CG 4.14Å; Y624-Q628 HydrophobicContact CD2-CG 4.4Å; Y624-Q628 HydrophobicContact CE1-CB 4.44Å; Y624-Q628 HydrophobicContact CE1-CG 3.68Å; Y624-Q628 HydrophobicContact CE2-CG 3.98Å; Y624-Q628 HydrophobicContact CG-CG 4.49Å; Y624-Q628 WeakPolarHBondContact O-CB 3.35Å; Y624-Q628 PolarHBondContact O-N 2.95Å; Y624-Q628 PolarHBondContact OH-NE2 2.96Å; Y624-C818 HydrophobicContact CD1-CB 3.39Å; Y624-C818 HydrophobicContact CD2-CB 4.04Å; Y624-C818 HydrophobicContact CE1-CB 3.95Å; Y624-C818 HydrophobicContact CG-CB 3.43Å; Y624-C818 VanDerWaalsContact CG-CB 3.43Å; Y624-P819 HydrophobicContact CE2-CG 3.75Å; Y624-P819 WeakPolarHBondContact CE2-O 3.24Å; Y624-L820 HydrophobicContact CD2-CB 4.49Å; Y624-F823 HydrophobicContact CD2-CD2 4.34Å; Y624-F823 AromaticContact CD2-CE2 3.83Å; Y624-F823 HydrophobicContact CD2-CE2 3.83Å; Y624-F823 AromaticContact CE2-CE2 3.8Å; Y624-F823 HydrophobicContact CE2-CE2 3.8Å |
| 625 | I | 92.8 | Very high | 90 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 177.7 | -66.2 | 164.6 | 0 | 0 | 0 | 109.9 | L549 L561 N621 L623 F629 L637 | L549-I625 HydrophobicContact CD1-CD1 3.84Å; L549-I625 HydrophobicContact CD1-CG1 4.4Å; L561-I625 HydrophobicContact CD2-CG2 3.95Å; N621-I625 WeakPolarHBondContact O-CB 3.5Å; N621-I625 WeakPolarHBondContact O-CD1 3.5Å; N621-I625 WeakPolarHBondContact O-CG1 3.24Å; N621-I625 PolarHBondContact O-N 3.42Å; L623-I625 PolarHBondContact O-N 2.97Å; I625-F629 HydrophobicContact CB-CD2 4.42Å; I625-F629 HydrophobicContact CG2-CD2 3.93Å; I625-F629 WeakPolarHBondContact O-CA 3.46Å; I625-F629 WeakPolarHBondContact O-CB 3.27Å; I625-F629 PolarHBondContact O-N 3.49Å; I625-L637 HydrophobicContact CG2-CD2 3.68Å |
| 626 | T | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.3 | -35.8 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | M622 L623 Y624 G630 W641 R676 I677 | M622-T626 VanDerWaalsContact O-CB 3.31Å; M622-T626 WeakPolarHBondContact O-CB 3.41Å; M622-T626 PolarHBondContact O-N 2.7Å; M622-T626 PolarHBondContact O-OG1 3.34Å; L623-T626 WeakPolarHBondContact O-CA 3.32Å; L623-T626 WeakPolarHBondContact O-CB 3.48Å; L623-T626 PolarHBondContact O-N 3.26Å; L623-T626 VanDerWaalsContact O-N 3.08Å; Y624-T626 PolarHBondContact O-N 2.89Å; T626-G630 WeakPolarHBondContact O-CA 3.19Å; T626-G630 PolarHBondContact O-N 3.46Å; T626-G630 VanDerWaalsContact O-N 3.07Å; T626-W641 PolarHBondContact OG1-NE1 3.36Å; T626-R676 PolarHBondContact O-NH2 3.45Å; T626-I677 HydrophobicContact CG2-CD1 4.03Å; T626-I677 HydrophobicContact CG2-CG1 4.01Å |
| 627 | V | 91.5 | Very high | 90.1 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.9 | -49.7 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | L623 Y624 L670 Y673 F823 | L623-V627 HydrophobicContact CD1-CG2 4.45Å; L623-V627 WeakPolarHBondContact O-CG2 3.47Å; L623-V627 PolarHBondContact O-N 3.34Å; Y624-V627 PolarHBondContact O-N 2.85Å; Y624-V627 VanDerWaalsContact O-N 3.13Å; V627-L670 HydrophobicContact CG2-CD2 3.75Å; V627-Y673 HydrophobicContact CB-CE2 4.44Å; V627-Y673 HydrophobicContact CG1-CD2 4.46Å; V627-Y673 HydrophobicContact CG1-CE2 3.97Å; V627-Y673 HydrophobicContact CG2-CD1 4.46Å; V627-Y673 HydrophobicContact CG2-CD2 3.87Å; V627-Y673 HydrophobicContact CG2-CE2 4.21Å; V627-Y673 HydrophobicContact CG2-CG 4Å; V627-F823 HydrophobicContact CB-CE2 4.42Å; V627-F823 HydrophobicContact CB-CZ 4.4Å; V627-F823 HydrophobicContact CG1-CD1 3.78Å; V627-F823 HydrophobicContact CG1-CD2 4.19Å; V627-F823 HydrophobicContact CG1-CE1 3.45Å; V627-F823 VanDerWaalsContact CG1-CE1 3.45Å; V627-F823 HydrophobicContact CG1-CE2 3.87Å; V627-F823 HydrophobicContact CG1-CG 4.12Å; V627-F823 HydrophobicContact CG1-CZ 3.47Å; V627-F823 VanDerWaalsContact CG1-CZ 3.47Å |
| 628 | Q | 89.6 | Confident | 90.2 | Very high | 77 Ų | 77 | 31.4 Ų | 31.4 | 36% | 0.36 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.3 | -44.7 | -176.3 | -73.2 | -73.6 | 2.8 | 0 | 0 | 113.8 | Y624 F823 | Y624-Q628 HydrophobicContact CD1-CG 4.14Å; Y624-Q628 HydrophobicContact CD2-CG 4.4Å; Y624-Q628 HydrophobicContact CE1-CB 4.44Å; Y624-Q628 HydrophobicContact CE1-CG 3.68Å; Y624-Q628 HydrophobicContact CE2-CG 3.98Å; Y624-Q628 HydrophobicContact CG-CG 4.49Å; Y624-Q628 WeakPolarHBondContact O-CB 3.35Å; Y624-Q628 PolarHBondContact O-N 2.95Å; Y624-Q628 PolarHBondContact OH-NE2 2.96Å; Q628-F823 HydrophobicContact CG-CE2 4.28Å; Q628-F823 HydrophobicContact CG-CZ 4.11Å; Q628-F823 VanDerWaalsContact NE2-CZ 3.31Å |
| 629 | F | 88.7 | Confident | 90 | Very high | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.057 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -115.8 | 1.2 | -170.8 | -49.6 | -60.5 | 0 | 0 | 0 | 113.9 | L549 I625 N631 E632 H633 | L549-F629 HydrophobicContact CB-CE2 4.43Å; I625-F629 HydrophobicContact CB-CD2 4.42Å; I625-F629 HydrophobicContact CG2-CD2 3.93Å; I625-F629 WeakPolarHBondContact O-CA 3.46Å; I625-F629 WeakPolarHBondContact O-CB 3.27Å; I625-F629 PolarHBondContact O-N 3.49Å; F629-N631 PolarHBondContact O-N 3.49Å; F629-N631 VanDerWaalsContact O-N 3.16Å; F629-E632 PolarHBondContact O-N 2.74Å; F629-E632 VanDerWaalsContact O-N 3.1Å; F629-H633 PolarHBondContact O-N 2.96Å; F629-H633 VanDerWaalsContact O-N 3.09Å |
| 630 | G | 84.1 | Confident | 90 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | -45.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T626 | T626-G630 WeakPolarHBondContact O-CA 3.19Å; T626-G630 PolarHBondContact O-N 3.46Å; T626-G630 VanDerWaalsContact O-N 3.07Å |
| 631 | N | 84.4 | Confident | 90 | Very high | 122 Ų | 122 | 32.7 Ų | 32.7 | 65% | 0.652 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -24.1 | -172.8 | -60 | -15.7 | 0 | 0 | 0 | 111.8 | F629 R676 | F629-N631 PolarHBondContact O-N 3.49Å; F629-N631 VanDerWaalsContact O-N 3.16Å; N631-R676 PolarHBondContact OD1-NH1 3.13Å |
| 632 | E | 84.2 | Confident | 89.8 | Confident | 100 Ų | 100 | 33.7 Ų | 33.7 | 47% | 0.467 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -38.2 | 177.7 | -63.3 | -176 | 166.8 | 0 | 0 | 112.2 | R557 F629 | R557-E632 IonicContact CZ-OE2 3.75Å; R557-E632 IonicContact NH1-OE1 2.72Å; R557-E632 PolarHBondContact NH1-OE1 3.01Å; R557-E632 IonicContact NH1-OE2 2.73Å; R557-E632 PolarHBondContact NH1-OE2 3.45Å; F629-E632 PolarHBondContact O-N 2.74Å; F629-E632 VanDerWaalsContact O-N 3.1Å |
| 633 | H | 84 | Confident | 89.4 | Confident | 31 Ų | 31 | 33.8 Ų | 33.8 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | trans | -132.4 | 54.2 | -170.9 | -60.1 | -40 | 0 | 0 | 0 | 114 | P554 L561 F629 Q635 L636 L637 | P554-H633 PolarHBondContact O-NE2 3.38Å; L561-H633 HydrophobicContact CD1-CB 4.09Å; F629-H633 PolarHBondContact O-N 2.96Å; F629-H633 VanDerWaalsContact O-N 3.09Å; H633-Q635 PolarHBondContact O-N 2.85Å; H633-L636 HydrophobicContact CB-CB 4.38Å; H633-L636 HydrophobicContact CB-CD1 4.32Å; H633-L636 PolarHBondContact O-N 3.34Å; H633-L637 PolarHBondContact O-N 2.96Å; H633-L637 VanDerWaalsContact O-N 3.1Å | ||
| 634 | P | 86.2 | Confident | 89.2 | Confident | 58 Ų | 58 | 33.7 Ų | 33.7 | 38% | 0.377 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.4 | -40.2 | -171.6 | 24.4 | -34.4 | 0 | 0 | 0 | 113.5 | L637 E638 | P634-L637 PolarHBondContact O-N 2.88Å; P634-E638 WeakPolarHBondContact O-CB 3.43Å; P634-E638 PolarHBondContact O-N 3.41Å |
| 635 | Q | 87 | Confident | 88.8 | Confident | 151 Ų | 151 | 33 Ų | 33 | 71% | 0.706 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -68.1 | -36.8 | -178.8 | -66.9 | 179.8 | -8.8 | 0 | 0 | 112.8 | H633 S639 | H633-Q635 PolarHBondContact O-N 2.85Å; Q635-S639 PolarHBondContact O-N 3.01Å |
| 636 | L | 88.7 | Confident | 88.3 | Confident | 35 Ų | 35 | 34 Ų | 34 | 18% | 0.183 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.9 | -39.8 | 178.1 | -67.1 | 173 | 0 | 0 | 0 | 110.5 | A558 L561 H562 H633 S639 L640 | A558-L636 HydrophobicContact CB-CD1 3.92Å; A558-L636 WeakPolarHBondContact O-CD1 3.41Å; L561-L636 HydrophobicContact CB-CB 4.18Å; L561-L636 HydrophobicContact CB-CD1 4.3Å; H562-L636 HydrophobicContact CB-CD2 4.06Å; H633-L636 HydrophobicContact CB-CB 4.38Å; H633-L636 HydrophobicContact CB-CD1 4.32Å; H633-L636 PolarHBondContact O-N 3.34Å; L636-S639 WeakPolarHBondContact CA-OG 3.4Å; L636-S639 PolarHBondContact O-N 3.27Å; L636-S639 VanDerWaalsContact O-N 3.16Å; L636-S639 PolarHBondContact O-OG 2.87Å; L636-L640 WeakPolarHBondContact O-CG 3.31Å; L636-L640 PolarHBondContact O-N 2.93Å |
| 637 | L | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 175.2 | -72.7 | 166.9 | 0 | 0 | 0 | 112.4 | L561 I625 H633 P634 S639 L640 W641 | L561-L637 HydrophobicContact CD2-CD2 4.46Å; I625-L637 HydrophobicContact CG2-CD2 3.68Å; H633-L637 PolarHBondContact O-N 2.96Å; H633-L637 VanDerWaalsContact O-N 3.1Å; P634-L637 PolarHBondContact O-N 2.88Å; L637-S639 VanDerWaalsContact C-N 3.28Å; L637-S639 PolarHBondContact O-N 3.31Å; L637-L640 HydrophobicContact CD2-CD1 4.21Å; L637-L640 PolarHBondContact O-N 2.92Å; L637-W641 PolarHBondContact O-N 3.42Å |
| 638 | E | 91.8 | Very high | 87.1 | Confident | 38 Ų | 38 | 34 Ų | 34 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.8 | -43.8 | 169.4 | -178.4 | 166.3 | -162.5 | 0 | 0 | 110.7 | P634 L640 T642 Y680 R683 | P634-E638 WeakPolarHBondContact O-CB 3.43Å; P634-E638 PolarHBondContact O-N 3.41Å; E638-L640 PolarHBondContact O-N 3.47Å; E638-T642 HydrophobicContact CG-CG2 4.39Å; E638-T642 VanDerWaalsContact O-CB 3.28Å; E638-T642 WeakPolarHBondContact O-CB 3.49Å; E638-T642 WeakPolarHBondContact O-CG2 3.34Å; E638-T642 PolarHBondContact O-N 2.99Å; E638-T642 PolarHBondContact O-OG1 3.17Å; E638-Y680 HydrophobicContact CB-CD1 3.75Å; E638-Y680 HydrophobicContact CB-CD2 4.09Å; E638-Y680 HydrophobicContact CB-CE1 3.89Å; E638-Y680 HydrophobicContact CB-CE2 4.22Å; E638-Y680 HydrophobicContact CB-CG 3.86Å; E638-Y680 VanDerWaalsContact CD-CD1 3.49Å; E638-Y680 HydrophobicContact CG-CD1 3.58Å; E638-Y680 HydrophobicContact CG-CD2 4.49Å; E638-Y680 HydrophobicContact CG-CE1 4.15Å; E638-Y680 HydrophobicContact CG-CG 3.78Å; E638-R683 VanDerWaalsContact CD-NH1 3.33Å; E638-R683 WeakPolarHBondContact OE1-CD 3.5Å; E638-R683 IonicContact OE1-CZ 2.88Å; E638-R683 IonicContact OE1-NE 3.86Å; E638-R683 IonicContact OE1-NH1 2.81Å; E638-R683 PolarHBondContact OE1-NH1 3.21Å; E638-R683 IonicContact OE2-NH1 3.79Å; E638-R683 PolarHBondContact OE2-NH1 2.84Å |
| 639 | S | 89.9 | Confident | 86.4 | Confident | 34 Ų | 34 | 31.5 Ų | 31.5 | 24% | 0.238 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 176.2 | 72.9 | 0 | 0 | 0 | 0 | 114 | V565 Q635 L636 L637 T642 S643 | V565-S639 WeakPolarHBondContact CG2-OG 3.42Å; Q635-S639 PolarHBondContact O-N 3.01Å; L636-S639 WeakPolarHBondContact CA-OG 3.4Å; L636-S639 PolarHBondContact O-N 3.27Å; L636-S639 VanDerWaalsContact O-N 3.16Å; L636-S639 PolarHBondContact O-OG 2.87Å; L637-S639 VanDerWaalsContact C-N 3.28Å; L637-S639 PolarHBondContact O-N 3.31Å; S639-T642 VanDerWaalsContact CA-OG1 3.29Å; S639-T642 WeakPolarHBondContact CA-OG1 3.39Å; S639-T642 PolarHBondContact O-OG1 3.37Å; S639-S643 WeakPolarHBondContact O-CB 2.99Å; S639-S643 PolarHBondContact O-N 2.87Å |
| 640 | L | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.2 | -48.9 | 177.4 | -73 | 165.7 | 0 | 0 | 0 | 111.6 | L561 L564 V565 L568 M622 L636 L637 E638 T642 S643 L644 | L561-L640 HydrophobicContact CB-CD1 3.97Å; L561-L640 HydrophobicContact CD2-CD1 3.48Å; L561-L640 VanDerWaalsContact CD2-CD1 3.48Å; L561-L640 HydrophobicContact CG-CD1 4.27Å; L564-L640 HydrophobicContact CB-CD2 3.95Å; L564-L640 HydrophobicContact CD2-CD2 4.08Å; L564-L640 HydrophobicContact CG-CD2 4.03Å; V565-L640 HydrophobicContact CB-CD2 4.43Å; V565-L640 HydrophobicContact CG2-CD2 3.67Å; V565-L640 HydrophobicContact CG2-CG 3.98Å; L568-L640 HydrophobicContact CD1-CB 4.11Å; L568-L640 HydrophobicContact CD1-CD2 3.6Å; L568-L640 HydrophobicContact CD1-CG 4.48Å; L568-L640 HydrophobicContact CG-CD2 4.49Å; M622-L640 HydrophobicContact CE-CB 3.67Å; M622-L640 HydrophobicContact SD-CB 4.42Å; L636-L640 WeakPolarHBondContact O-CG 3.31Å; L636-L640 PolarHBondContact O-N 2.93Å; L637-L640 HydrophobicContact CD2-CD1 4.21Å; L637-L640 PolarHBondContact O-N 2.92Å; E638-L640 PolarHBondContact O-N 3.47Å; L640-T642 VanDerWaalsContact C-N 3.3Å; L640-T642 PolarHBondContact O-N 3.42Å; L640-S643 PolarHBondContact O-N 3.23Å; L640-S643 PolarHBondContact O-OG 2.86Å; L640-L644 PolarHBondContact O-N 3.25Å |
| 641 | W | 94 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.6 | -80.4 | 115.2 | 0 | 0 | 0 | 111.4 | L619 M622 T626 L637 S643 L644 I655 I677 F681 | L619-W641 HydrophobicContact CD2-CZ3 4.41Å; M622-W641 HydrophobicContact CB-CH2 3.54Å; M622-W641 HydrophobicContact CB-CZ2 3.53Å; M622-W641 HydrophobicContact CB-CZ3 4.17Å; M622-W641 HydrophobicContact CE-CD2 3.64Å; M622-W641 HydrophobicContact CE-CE3 4.13Å; M622-W641 HydrophobicContact CE-CG 3.85Å; M622-W641 HydrophobicContact CE-CZ2 4.23Å; T626-W641 PolarHBondContact OG1-NE1 3.36Å; L637-W641 PolarHBondContact O-N 3.42Å; W641-S643 VanDerWaalsContact C-N 3.32Å; W641-S643 PolarHBondContact O-N 3.09Å; W641-L644 HydrophobicContact CE3-CD1 4.03Å; W641-L644 HydrophobicContact CZ3-CD1 4.22Å; W641-L644 PolarHBondContact O-N 3.33Å; W641-I655 HydrophobicContact CE3-CD1 4.5Å; W641-I655 HydrophobicContact CE3-CG2 4.49Å; W641-I655 HydrophobicContact CZ3-CD1 4.37Å; W641-I655 HydrophobicContact CZ3-CG1 4.47Å; W641-I655 HydrophobicContact CZ3-CG2 3.85Å; W641-I677 HydrophobicContact CD2-CG2 3.81Å; W641-I677 HydrophobicContact CE3-CG2 4.1Å; W641-I677 HydrophobicContact CG-CG2 4.12Å; W641-I677 HydrophobicContact CH2-CD1 4.35Å; W641-I677 HydrophobicContact CZ2-CD1 3.59Å; W641-I677 HydrophobicContact CZ2-CG1 4.2Å; W641-I677 HydrophobicContact CZ2-CG2 4.37Å; W641-I677 HydrophobicContact CZ3-CG2 4.5Å; W641-F681 HydrophobicContact CB-CE1 3.73Å; W641-F681 HydrophobicContact CB-CZ 4.32Å; W641-F681 HydrophobicContact CD2-CZ 4.28Å; W641-F681 HydrophobicContact CE3-CE1 4.15Å; W641-F681 AromaticContact CE3-CZ 3.65Å; W641-F681 HydrophobicContact CE3-CZ 3.65Å; W641-F681 HydrophobicContact CG-CE1 4.45Å; W641-F681 HydrophobicContact CZ3-CZ 4.32Å; W641-F681 WeakPolarHBondContact O-CE1 3.23Å |
| 642 | T | 89.8 | Confident | 86.5 | Confident | 22 Ų | 22 | 27.3 Ų | 27.3 | 14% | 0.135 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68 | -30.7 | 179.1 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | E638 S639 L640 L644 V645 S646 V684 | E638-T642 HydrophobicContact CG-CG2 4.39Å; E638-T642 VanDerWaalsContact O-CB 3.28Å; E638-T642 WeakPolarHBondContact O-CB 3.49Å; E638-T642 WeakPolarHBondContact O-CG2 3.34Å; E638-T642 PolarHBondContact O-N 2.99Å; E638-T642 PolarHBondContact O-OG1 3.17Å; S639-T642 VanDerWaalsContact CA-OG1 3.29Å; S639-T642 WeakPolarHBondContact CA-OG1 3.39Å; S639-T642 PolarHBondContact O-OG1 3.37Å; L640-T642 VanDerWaalsContact C-N 3.3Å; L640-T642 PolarHBondContact O-N 3.42Å; T642-L644 VanDerWaalsContact C-N 3.31Å; T642-L644 PolarHBondContact O-N 3.43Å; T642-V645 PolarHBondContact O-N 3.44Å; T642-V645 VanDerWaalsContact O-N 3.16Å; T642-S646 WeakPolarHBondContact O-CB 3.25Å; T642-S646 PolarHBondContact O-N 3.09Å; T642-V684 HydrophobicContact CG2-CB 4.06Å; T642-V684 HydrophobicContact CG2-CG2 3.28Å |
| 643 | S | 88.1 | Confident | 86.7 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 173.6 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | L568 H569 S639 L640 W641 V645 S646 | L568-S643 VanDerWaalsContact CB-OG 3.27Å; L568-S643 WeakPolarHBondContact CB-OG 3.14Å; H569-S643 VanDerWaalsContact CE1-CB 3.45Å; H569-S643 WeakPolarHBondContact CE1-CB 3.47Å; S639-S643 WeakPolarHBondContact O-CB 2.99Å; S639-S643 PolarHBondContact O-N 2.87Å; L640-S643 PolarHBondContact O-N 3.23Å; L640-S643 PolarHBondContact O-OG 2.86Å; W641-S643 VanDerWaalsContact C-N 3.32Å; W641-S643 PolarHBondContact O-N 3.09Å; S643-V645 VanDerWaalsContact C-N 3.26Å; S643-V645 PolarHBondContact O-N 3.47Å; S643-S646 PolarHBondContact O-OG 3.31Å |
| 644 | L | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68 | -26.1 | 174.7 | -73.9 | 171.4 | 0 | 0 | 0 | 112.6 | L568 V571 I618 M622 L640 W641 T642 N651 I655 | L568-L644 HydrophobicContact CB-CD2 4.07Å; L568-L644 HydrophobicContact CB-CG 4.34Å; L568-L644 HydrophobicContact CD1-CD2 4.49Å; L568-L644 HydrophobicContact CD1-CG 4.23Å; L568-L644 HydrophobicContact CD2-CD2 4.13Å; L568-L644 HydrophobicContact CG-CD2 4.46Å; V571-L644 HydrophobicContact CB-CD2 4.08Å; V571-L644 HydrophobicContact CG1-CD2 4.15Å; I618-L644 HydrophobicContact CG2-CD1 4.12Å; I618-L644 HydrophobicContact CG2-CD2 4.29Å; M622-L644 HydrophobicContact CE-CD1 4.48Å; M622-L644 HydrophobicContact CG-CD1 4.39Å; L640-L644 PolarHBondContact O-N 3.25Å; W641-L644 HydrophobicContact CE3-CD1 4.03Å; W641-L644 HydrophobicContact CZ3-CD1 4.22Å; W641-L644 PolarHBondContact O-N 3.33Å; T642-L644 VanDerWaalsContact C-N 3.31Å; T642-L644 PolarHBondContact O-N 3.43Å; L644-N651 WeakPolarHBondContact O-CB 3.4Å; L644-N651 PolarHBondContact O-ND2 3.45Å; L644-I655 HydrophobicContact CB-CD1 4.44Å |
| 645 | V | 86.1 | Confident | 87.2 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -103.4 | -23.3 | -173.1 | 170.1 | 0 | 0 | 0 | 0 | 112.6 | T642 S643 C647 V652 I655 F681 C685 | T642-V645 PolarHBondContact O-N 3.44Å; T642-V645 VanDerWaalsContact O-N 3.16Å; S643-V645 VanDerWaalsContact C-N 3.26Å; S643-V645 PolarHBondContact O-N 3.47Å; V645-C647 PolarHBondContact O-N 3.23Å; V645-V652 HydrophobicContact CB-CG2 4.18Å; V645-V652 HydrophobicContact CG1-CG2 3.23Å; V645-V652 HydrophobicContact CG2-CG2 3.91Å; V645-I655 HydrophobicContact CG2-CD1 3.95Å; V645-F681 HydrophobicContact CB-CD1 4.43Å; V645-F681 HydrophobicContact CG2-CD1 3.78Å; V645-F681 HydrophobicContact CG2-CE1 3.56Å; V645-F681 HydrophobicContact CG2-CG 4.43Å; V645-F681 HydrophobicContact CG2-CZ 4.05Å; V645-C685 VanDerWaalsContact CG1-SG 3.52Å |
| 646 | S | 81.6 | Confident | 87.4 | Confident | 22 Ų | 22 | 14 Ų | 14 | 15% | 0.154 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | -172.3 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | H569 T642 S643 | H569-S646 PolarHBondContact CD2-OG 3.29Å; T642-S646 WeakPolarHBondContact O-CB 3.25Å; T642-S646 PolarHBondContact O-N 3.09Å; S643-S646 PolarHBondContact O-OG 3.31Å |
| 647 | C | 78.4 | Confident | 87.3 | Confident | 4 Ų | 4 | 13.7 Ų | 13.7 | 3% | 0.027 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -95.1 | -28.7 | -179.2 | -68.2 | 0 | 0 | 0 | 0 | 113.6 | R602 V645 | R602-C647 PolarHBondContact NE-O 3.33Å; V645-C647 PolarHBondContact O-N 3.23Å |
| 648 | W | 81.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | trans | -122.7 | 93.8 | -169.7 | -56.8 | 105.5 | 0 | 0 | 0 | 110.8 | H569 E572 Q650 N651 | H569-W648 PolarHBondContact O-NE1 3.48Å; E572-W648 HydrophobicContact CB-CD2 3.96Å; E572-W648 HydrophobicContact CB-CE3 4.06Å; E572-W648 HydrophobicContact CB-CG 4.24Å; E572-W648 HydrophobicContact CG-CD2 4.36Å; E572-W648 HydrophobicContact CG-CE3 4.09Å; E572-W648 WeakPolarHBondContact OE2-CZ3 3.38Å; W648-Q650 PolarHBondContact O-N 3.47Å; W648-N651 HydrophobicContact CB-CB 4.37Å; W648-N651 WeakPolarHBondContact CB-ND2 3.48Å; W648-N651 WeakPolarHBondContact O-CB 3.42Å; W648-N651 PolarHBondContact O-N 3.04Å | ||
| 649 | P | 74.8 | Confident | 87.4 | Confident | 24 Ų | 24 | 12 Ų | 12 | 16% | 0.156 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.4 | -173.3 | 25.5 | -35.5 | 0 | 0 | 0 | 113.7 | N651 V652 R688 | P649-N651 VanDerWaalsContact C-N 3.29Å; P649-N651 PolarHBondContact O-N 3.26Å; P649-V652 PolarHBondContact O-N 2.77Å; P649-R688 VanDerWaalsContact CB-NH1 3.32Å |
| 650 | Q | 79.7 | Confident | 87.3 | Confident | 48 Ų | 48 | 10.9 Ų | 10.9 | 22% | 0.224 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25 | -179.5 | -173.2 | 64 | 2.7 | 0 | 0 | 112.7 | W648 V652 R653 V654 | W648-Q650 PolarHBondContact O-N 3.47Å; Q650-V652 PolarHBondContact O-N 2.86Å; Q650-V652 VanDerWaalsContact O-N 3.11Å; Q650-R653 PolarHBondContact O-N 3.02Å; Q650-V654 PolarHBondContact O-N 3.09Å |
| 651 | N | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.6 | -30.2 | 178.5 | -70.8 | 7.1 | 0 | 0 | 0 | 111.8 | V571 L573 L644 W648 P649 R653 V654 I655 | V571-N651 PolarHBondContact O-ND2 3.48Å; L573-N651 HydrophobicContact CB-CB 4.44Å; L573-N651 WeakPolarHBondContact CB-OD1 3.26Å; L573-N651 HydrophobicContact CD1-CB 4Å; L573-N651 HydrophobicContact CG-CB 4.35Å; L573-N651 PolarHBondContact N-OD1 2.88Å; L644-N651 WeakPolarHBondContact O-CB 3.4Å; L644-N651 PolarHBondContact O-ND2 3.45Å; W648-N651 HydrophobicContact CB-CB 4.37Å; W648-N651 WeakPolarHBondContact CB-ND2 3.48Å; W648-N651 WeakPolarHBondContact O-CB 3.42Å; W648-N651 PolarHBondContact O-N 3.04Å; P649-N651 VanDerWaalsContact C-N 3.29Å; P649-N651 PolarHBondContact O-N 3.26Å; N651-R653 VanDerWaalsContact C-N 3.34Å; N651-R653 PolarHBondContact O-N 3.3Å; N651-V654 PolarHBondContact O-N 2.97Å; N651-I655 HydrophobicContact CB-CD1 4.24Å; N651-I655 WeakPolarHBondContact O-CB 3.37Å; N651-I655 WeakPolarHBondContact O-CD1 3.4Å; N651-I655 WeakPolarHBondContact O-CG1 3.3Å; N651-I655 PolarHBondContact O-N 3.37Å |
| 652 | V | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.7 | -45.2 | 176 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | V645 P649 Q650 I656 V689 V692 | V645-V652 HydrophobicContact CB-CG2 4.18Å; V645-V652 HydrophobicContact CG1-CG2 3.23Å; V645-V652 HydrophobicContact CG2-CG2 3.91Å; P649-V652 PolarHBondContact O-N 2.77Å; Q650-V652 PolarHBondContact O-N 2.86Å; Q650-V652 VanDerWaalsContact O-N 3.11Å; V652-I656 HydrophobicContact CG1-CD1 3.68Å; V652-I656 HydrophobicContact CG1-CG1 4.38Å; V652-I656 WeakPolarHBondContact O-CB 3.15Å; V652-I656 VanDerWaalsContact O-CG1 3.26Å; V652-I656 WeakPolarHBondContact O-CG1 3.46Å; V652-I656 PolarHBondContact O-N 3.35Å; V652-V689 HydrophobicContact CG1-CG2 4.19Å; V652-V692 HydrophobicContact CG1-CG2 4.4Å |
| 653 | R | 87.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 10 Ų | 10 | 19% | 0.185 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.1 | -43.9 | -178.9 | -71.1 | -176.5 | 178.9 | 178.3 | 0.7 | 111.2 | L578 Q650 N651 R657 V692 | L578-R653 HydrophobicContact CD1-CB 4.48Å; L578-R653 HydrophobicContact CD2-CB 4.27Å; Q650-R653 PolarHBondContact O-N 3.02Å; N651-R653 VanDerWaalsContact C-N 3.34Å; N651-R653 PolarHBondContact O-N 3.3Å; R653-R657 WeakPolarHBondContact O-CB 3.38Å; R653-R657 PolarHBondContact O-N 2.58Å; R653-V692 HydrophobicContact CG-CG1 4.18Å; R653-V692 HydrophobicContact CG-CG2 3.71Å |
| 654 | V | 89.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 10.5 Ų | 10.5 | 5% | 0.048 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62 | -48 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L573 D575 L578 L619 Q650 N651 R657 Y658 | L573-V654 HydrophobicContact CB-CB 4.23Å; L573-V654 HydrophobicContact CB-CG1 4.01Å; L573-V654 HydrophobicContact CB-CG2 4.46Å; D575-V654 HydrophobicContact CB-CG1 4.07Å; D575-V654 HydrophobicContact CB-CG2 4.14Å; L578-V654 HydrophobicContact CD1-CB 4.46Å; L578-V654 HydrophobicContact CD1-CG2 3.94Å; L619-V654 HydrophobicContact CD1-CG1 4.27Å; Q650-V654 PolarHBondContact O-N 3.09Å; N651-V654 PolarHBondContact O-N 2.97Å; V654-R657 PolarHBondContact O-N 3.15Å; V654-Y658 WeakPolarHBondContact O-CB 3.41Å; V654-Y658 PolarHBondContact O-N 2.93Å |
| 655 | I | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | -178.9 | -60.6 | 159.4 | 0 | 0 | 0 | 111 | L573 L619 W641 L644 V645 N651 R657 Y658 L659 F681 | L573-I655 HydrophobicContact CD1-CD1 3.79Å; L573-I655 HydrophobicContact CD1-CG1 3.51Å; L619-I655 HydrophobicContact CD2-CB 4.42Å; L619-I655 HydrophobicContact CD2-CG1 3.75Å; L619-I655 HydrophobicContact CD2-CG2 4.39Å; W641-I655 HydrophobicContact CE3-CD1 4.5Å; W641-I655 HydrophobicContact CE3-CG2 4.49Å; W641-I655 HydrophobicContact CZ3-CD1 4.37Å; W641-I655 HydrophobicContact CZ3-CG1 4.47Å; W641-I655 HydrophobicContact CZ3-CG2 3.85Å; L644-I655 HydrophobicContact CB-CD1 4.44Å; V645-I655 HydrophobicContact CG2-CD1 3.95Å; N651-I655 HydrophobicContact CB-CD1 4.24Å; N651-I655 WeakPolarHBondContact O-CB 3.37Å; N651-I655 WeakPolarHBondContact O-CD1 3.4Å; N651-I655 WeakPolarHBondContact O-CG1 3.3Å; N651-I655 PolarHBondContact O-N 3.37Å; I655-R657 VanDerWaalsContact C-N 3.33Å; I655-R657 PolarHBondContact O-N 3.41Å; I655-Y658 PolarHBondContact O-N 3.47Å; I655-L659 HydrophobicContact CG2-CD1 3.89Å; I655-L659 HydrophobicContact CG2-CG 4.09Å; I655-L659 WeakPolarHBondContact O-CB 3.16Å; I655-L659 WeakPolarHBondContact O-CG 3.5Å; I655-L659 PolarHBondContact O-N 3.09Å; I655-F681 HydrophobicContact CB-CE2 4.1Å; I655-F681 HydrophobicContact CB-CZ 4.34Å; I655-F681 HydrophobicContact CD1-CE1 4.47Å; I655-F681 HydrophobicContact CD1-CE2 4.24Å; I655-F681 HydrophobicContact CD1-CZ 3.72Å; I655-F681 HydrophobicContact CG2-CE2 3.56Å; I655-F681 HydrophobicContact CG2-CZ 3.78Å |
| 656 | I | 90.2 | Very high | 86.2 | Confident | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 178.6 | -71.6 | 173.9 | 0 | 0 | 0 | 110.3 | V652 Y658 L659 S660 V689 V692 L693 | V652-I656 HydrophobicContact CG1-CD1 3.68Å; V652-I656 HydrophobicContact CG1-CG1 4.38Å; V652-I656 WeakPolarHBondContact O-CB 3.15Å; V652-I656 VanDerWaalsContact O-CG1 3.26Å; V652-I656 WeakPolarHBondContact O-CG1 3.46Å; V652-I656 PolarHBondContact O-N 3.35Å; I656-Y658 PolarHBondContact O-N 3.26Å; I656-L659 PolarHBondContact O-N 3.01Å; I656-S660 WeakPolarHBondContact O-CB 3.47Å; I656-S660 PolarHBondContact O-N 3.19Å; I656-S660 PolarHBondContact O-OG 2.87Å; I656-V689 HydrophobicContact CD1-CG1 4.5Å; I656-V692 HydrophobicContact CD1-CB 4.17Å; I656-V692 HydrophobicContact CD1-CG1 3.82Å; I656-V692 HydrophobicContact CG2-CG1 4.46Å; I656-L693 HydrophobicContact CD1-CD2 4.29Å; I656-L693 HydrophobicContact CD1-CG 4.41Å; I656-L693 HydrophobicContact CG2-CD2 3.98Å |
| 657 | R | 87.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 12 Ų | 12 | 11% | 0.109 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.3 | -173.4 | -175.8 | 179.6 | 172.5 | 6.6 | 111.9 | D575 F577 R653 V654 I655 S660 V661 W718 | D575-R657 IonicContact OD1-NH1 2.83Å; D575-R657 VanDerWaalsContact OD2-CD 3.31Å; D575-R657 WeakPolarHBondContact OD2-CD 3.27Å; D575-R657 IonicContact OD2-CZ 2.88Å; D575-R657 IonicContact OD2-NE 2.79Å; D575-R657 IonicContact OD2-NH1 3.39Å; D575-R657 PolarHBondContact OD2-NH1 2.73Å; F577-R657 PolarHBondContact O-NH1 3.32Å; R653-R657 WeakPolarHBondContact O-CB 3.38Å; R653-R657 PolarHBondContact O-N 2.58Å; V654-R657 PolarHBondContact O-N 3.15Å; I655-R657 VanDerWaalsContact C-N 3.33Å; I655-R657 PolarHBondContact O-N 3.41Å; R657-S660 WeakPolarHBondContact O-CB 3.48Å; R657-S660 PolarHBondContact O-N 2.93Å; R657-V661 WeakPolarHBondContact O-CG2 3.14Å; R657-V661 PolarHBondContact O-N 3.42Å; R657-W718 HydrophobicContact CG-CZ2 4.48Å; R657-W718 VanDerWaalsContact NH2-CE2 3.35Å; R657-W718 VanDerWaalsContact NH2-CZ2 3.34Å |
| 658 | Y | 91.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 175.9 | 172.7 | -95.5 | 0 | 0 | 0 | 111.8 | L619 N620 L623 V654 I655 I656 S660 V661 M662 P714 Y716 | L619-Y658 HydrophobicContact CB-CD1 3.99Å; L619-Y658 HydrophobicContact CB-CD2 4.01Å; L619-Y658 HydrophobicContact CB-CE1 3.81Å; L619-Y658 HydrophobicContact CB-CE2 3.86Å; L619-Y658 HydrophobicContact CB-CG 4.09Å; L619-Y658 HydrophobicContact CD1-CD1 4.38Å; L619-Y658 HydrophobicContact CD1-CD2 3.92Å; L619-Y658 HydrophobicContact CD1-CG 3.83Å; L619-Y658 HydrophobicContact CD2-CD1 4.23Å; L619-Y658 HydrophobicContact CD2-CG 4.45Å; L619-Y658 HydrophobicContact CG-CD1 4.43Å; L619-Y658 HydrophobicContact CG-CG 4.35Å; L619-Y658 PolarHBondContact O-OH 3.39Å; N620-Y658 WeakPolarHBondContact CA-OH 3.25Å; L623-Y658 HydrophobicContact CB-CE1 4.2Å; L623-Y658 HydrophobicContact CD2-CE1 3.76Å; V654-Y658 WeakPolarHBondContact O-CB 3.41Å; V654-Y658 PolarHBondContact O-N 2.93Å; I655-Y658 PolarHBondContact O-N 3.47Å; I656-Y658 PolarHBondContact O-N 3.26Å; Y658-S660 VanDerWaalsContact C-N 3.34Å; Y658-S660 PolarHBondContact O-N 3.06Å; Y658-V661 PolarHBondContact O-N 2.83Å; Y658-M662 HydrophobicContact CD1-CG 4.36Å; Y658-M662 HydrophobicContact CE1-CG 3.96Å; Y658-M662 HydrophobicContact CE2-CE 3.62Å; Y658-M662 HydrophobicContact CE2-CG 4.11Å; Y658-M662 WeakPolarHBondContact O-CB 3.36Å; Y658-M662 WeakPolarHBondContact O-CG 3.47Å; Y658-M662 PolarHBondContact O-N 2.89Å; Y658-P714 HydrophobicContact CE2-CB 4.37Å; Y658-Y716 HydrophobicContact CD2-CE1 4.07Å; Y658-Y716 WeakPolarHBondContact CD2-OH 3.41Å; Y658-Y716 HydrophobicContact CE2-CE1 4.18Å |
| 659 | L | 92 | Very high | 86.5 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 178.1 | -69.7 | 178.3 | 0 | 0 | 0 | 112.4 | L623 I655 I656 M662 S663 A674 I677 I678 F843 | L623-L659 HydrophobicContact CD1-CD2 4.13Å; I655-L659 HydrophobicContact CG2-CD1 3.89Å; I655-L659 HydrophobicContact CG2-CG 4.09Å; I655-L659 WeakPolarHBondContact O-CB 3.16Å; I655-L659 WeakPolarHBondContact O-CG 3.5Å; I655-L659 PolarHBondContact O-N 3.09Å; I656-L659 PolarHBondContact O-N 3.01Å; L659-M662 PolarHBondContact O-N 3.15Å; L659-S663 VanDerWaalsContact O-CB 3.26Å; L659-S663 WeakPolarHBondContact O-CB 3.31Å; L659-S663 PolarHBondContact O-N 3.3Å; L659-S663 PolarHBondContact O-OG 3.37Å; L659-A674 HydrophobicContact CB-CB 4.26Å; L659-A674 HydrophobicContact CD2-CB 4.22Å; L659-I677 HydrophobicContact CD1-CB 4.02Å; L659-I677 HydrophobicContact CD1-CD1 4.36Å; L659-I677 HydrophobicContact CD1-CG2 3.8Å; L659-I677 HydrophobicContact CD2-CD1 3.91Å; L659-I678 HydrophobicContact CD1-CG1 4.15Å; L659-F843 HydrophobicContact CB-CZ 4.32Å |
| 660 | S | 88.1 | Confident | 87.2 | Confident | 9 Ų | 9 | 21.1 Ų | 21.1 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 174.2 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | I656 R657 Y658 S663 V664 F843 | I656-S660 WeakPolarHBondContact O-CB 3.47Å; I656-S660 PolarHBondContact O-N 3.19Å; I656-S660 PolarHBondContact O-OG 2.87Å; R657-S660 WeakPolarHBondContact O-CB 3.48Å; R657-S660 PolarHBondContact O-N 2.93Å; Y658-S660 VanDerWaalsContact C-N 3.34Å; Y658-S660 PolarHBondContact O-N 3.06Å; S660-S663 PolarHBondContact O-N 3.3Å; S660-V664 WeakPolarHBondContact O-CG2 3.27Å; S660-V664 PolarHBondContact O-N 3.4Å; S660-V664 VanDerWaalsContact O-N 3.13Å; S660-F843 WeakPolarHBondContact OG-CE2 3.46Å |
| 661 | V | 87.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | R657 Y658 S663 V664 L665 F703 L707 Y716 W718 | R657-V661 WeakPolarHBondContact O-CG2 3.14Å; R657-V661 PolarHBondContact O-N 3.42Å; Y658-V661 PolarHBondContact O-N 2.83Å; V661-S663 VanDerWaalsContact C-N 3.33Å; V661-S663 PolarHBondContact O-N 3.49Å; V661-V664 WeakPolarHBondContact O-CB 3.41Å; V661-V664 PolarHBondContact O-N 2.77Å; V661-V664 VanDerWaalsContact O-N 3.09Å; V661-L665 HydrophobicContact CG1-CD1 4.11Å; V661-L665 HydrophobicContact CG1-CG 4.35Å; V661-L665 WeakPolarHBondContact O-CG 3.42Å; V661-L665 PolarHBondContact O-N 3.08Å; V661-F703 HydrophobicContact CG2-CE1 4.09Å; V661-F703 HydrophobicContact CG2-CZ 3.93Å; V661-L707 HydrophobicContact CG1-CD1 4.05Å; V661-L707 HydrophobicContact CG1-CD2 3.85Å; V661-Y716 HydrophobicContact CB-CE1 4.3Å; V661-Y716 HydrophobicContact CG1-CD1 3.57Å; V661-Y716 HydrophobicContact CG1-CD2 4.1Å; V661-Y716 HydrophobicContact CG1-CE1 3.74Å; V661-Y716 HydrophobicContact CG1-CE2 4.26Å; V661-Y716 HydrophobicContact CG1-CG 3.76Å; V661-W718 HydrophobicContact CG2-CH2 3.92Å; V661-W718 HydrophobicContact CG2-CZ2 3.8Å |
| 662 | M | 88.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 179.8 | -73.9 | -68.2 | 168.6 | 0 | 0 | 113.2 | L623 Y658 L659 V664 L665 A666 L670 P714 Y715 Y716 L820 L824 | L623-M662 HydrophobicContact CD2-CB 4.13Å; L623-M662 HydrophobicContact CD2-CG 3.93Å; L623-M662 HydrophobicContact CD2-SD 4.42Å; Y658-M662 HydrophobicContact CD1-CG 4.36Å; Y658-M662 HydrophobicContact CE1-CG 3.96Å; Y658-M662 HydrophobicContact CE2-CE 3.62Å; Y658-M662 HydrophobicContact CE2-CG 4.11Å; Y658-M662 WeakPolarHBondContact O-CB 3.36Å; Y658-M662 WeakPolarHBondContact O-CG 3.47Å; Y658-M662 PolarHBondContact O-N 2.89Å; L659-M662 PolarHBondContact O-N 3.15Å; M662-V664 VanDerWaalsContact C-N 3.27Å; M662-V664 PolarHBondContact O-N 2.96Å; M662-L665 PolarHBondContact O-N 3.03Å; M662-L665 HydrophobicContact SD-CD1 4.27Å; M662-A666 PolarHBondContact O-N 3.12Å; M662-A666 VanDerWaalsContact O-N 3.09Å; M662-L670 HydrophobicContact CB-CD1 4.2Å; M662-L670 HydrophobicContact SD-CD1 4.37Å; M662-P714 WeakPolarHBondContact CE-O 3.2Å; M662-Y715 HydrophobicContact CE-CD2 4.41Å; M662-Y716 HydrophobicContact CE-CD1 3.87Å; M662-Y716 HydrophobicContact CE-CE1 3.73Å; M662-L820 HydrophobicContact CE-CD2 4.33Å; M662-L820 HydrophobicContact SD-CD2 4.31Å; M662-L824 HydrophobicContact SD-CD2 4.24Å |
| 663 | S | 87.8 | Confident | 87.6 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -29.5 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | L659 S660 V661 P667 A674 | L659-S663 VanDerWaalsContact O-CB 3.26Å; L659-S663 WeakPolarHBondContact O-CB 3.31Å; L659-S663 PolarHBondContact O-N 3.3Å; L659-S663 PolarHBondContact O-OG 3.37Å; S660-S663 PolarHBondContact O-N 3.3Å; V661-S663 VanDerWaalsContact C-N 3.33Å; V661-S663 PolarHBondContact O-N 3.49Å; S663-P667 WeakPolarHBondContact O-CA 2.99Å; S663-P667 WeakPolarHBondContact O-CB 3.29Å; S663-A674 VanDerWaalsContact OG-CB 3.31Å; S663-A674 WeakPolarHBondContact OG-CB 3.23Å |
| 664 | V | 83.1 | Confident | 87.8 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75.5 | -37.6 | 173 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | S660 V661 M662 V831 L833 C834 I839 | S660-V664 WeakPolarHBondContact O-CG2 3.27Å; S660-V664 PolarHBondContact O-N 3.4Å; S660-V664 VanDerWaalsContact O-N 3.13Å; V661-V664 WeakPolarHBondContact O-CB 3.41Å; V661-V664 PolarHBondContact O-N 2.77Å; V661-V664 VanDerWaalsContact O-N 3.09Å; M662-V664 VanDerWaalsContact C-N 3.27Å; M662-V664 PolarHBondContact O-N 2.96Å; V664-V831 HydrophobicContact CG1-CG1 4.46Å; V664-V831 VanDerWaalsContact O-CG1 3.24Å; V664-V831 WeakPolarHBondContact O-CG1 3.44Å; V664-L833 HydrophobicContact CG1-CB 4.41Å; V664-L833 HydrophobicContact CG1-CD2 3.55Å; V664-C834 HydrophobicContact CG2-CB 4.34Å; V664-I839 HydrophobicContact CG2-CD1 3.29Å; V664-I839 HydrophobicContact CG2-CG1 4.07Å |
| 665 | L | 83.9 | Confident | 88 | Confident | 7 Ų | 7 | 25.3 Ų | 25.3 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -36.4 | -179.4 | -65.7 | 176.5 | 0 | 0 | 0 | 112.7 | V661 M662 L707 R709 Y716 L824 P825 | V661-L665 HydrophobicContact CG1-CD1 4.11Å; V661-L665 HydrophobicContact CG1-CG 4.35Å; V661-L665 WeakPolarHBondContact O-CG 3.42Å; V661-L665 PolarHBondContact O-N 3.08Å; M662-L665 PolarHBondContact O-N 3.03Å; M662-L665 HydrophobicContact SD-CD1 4.27Å; L665-L707 HydrophobicContact CD2-CD2 4.45Å; L665-R709 HydrophobicContact CD2-CG 4.05Å; L665-R709 PolarHBondContact O-NH2 2.9Å; L665-Y716 HydrophobicContact CD1-CD1 4.24Å; L665-L824 HydrophobicContact CB-CD2 4.17Å; L665-P825 WeakPolarHBondContact O-CD 3.27Å; L665-P825 WeakPolarHBondContact O-CG 3.48Å |
| 666 | A | 85.5 | Confident | 87.9 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 5% | 0.05 | 15% | 0.145 | C | C | . | . | trans | -144.4 | 75.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M662 D668 T669 L670 L824 | M662-A666 PolarHBondContact O-N 3.12Å; M662-A666 VanDerWaalsContact O-N 3.09Å; A666-D668 VanDerWaalsContact C-N 3.34Å; A666-D668 PolarHBondContact O-N 3.25Å; A666-T669 WeakPolarHBondContact CB-OG1 3.43Å; A666-T669 PolarHBondContact O-N 3.2Å; A666-L670 HydrophobicContact CB-CD1 4.03Å; A666-L670 HydrophobicContact CB-CG 4.08Å; A666-L670 WeakPolarHBondContact O-CB 3.26Å; A666-L670 PolarHBondContact O-N 2.97Å; A666-L824 HydrophobicContact CB-CD2 3.88Å | ||
| 667 | P | 82.1 | Confident | 88 | Confident | 44 Ų | 44 | 27.7 Ų | 27.7 | 29% | 0.286 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.1 | -33.8 | -174.7 | 24.7 | -33.6 | 0 | 0 | 0 | 113.3 | S663 T669 L671 M877 | S663-P667 WeakPolarHBondContact O-CA 2.99Å; S663-P667 WeakPolarHBondContact O-CB 3.29Å; P667-T669 PolarHBondContact O-N 2.6Å; P667-L671 WeakPolarHBondContact O-CB 3.49Å; P667-M877 HydrophobicContact CB-CE 3.65Å; P667-M877 HydrophobicContact CB-SD 4.32Å |
| 668 | D | 79.9 | Confident | 88.2 | Confident | 155 Ų | 155 | 26.3 Ų | 26.3 | 83% | 0.829 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -74.7 | -25.8 | -174.9 | -56.9 | -44.4 | 0 | 0 | 0 | 113.4 | A666 | A666-D668 VanDerWaalsContact C-N 3.34Å; A666-D668 PolarHBondContact O-N 3.25Å |
| 669 | T | 84.6 | Confident | 88.1 | Confident | 64 Ų | 64 | 27 Ų | 27 | 39% | 0.393 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -107.4 | -43.9 | -176.3 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | A666 P667 Y673 F823 | A666-T669 WeakPolarHBondContact CB-OG1 3.43Å; A666-T669 PolarHBondContact O-N 3.2Å; P667-T669 PolarHBondContact O-N 2.6Å; T669-Y673 WeakPolarHBondContact O-CD2 3.42Å; T669-Y673 VanDerWaalsContact O-CE2 3.27Å; T669-Y673 WeakPolarHBondContact O-CE2 3.4Å; T669-F823 PolarHBondContact OG1-O 3.13Å; T669-F823 VanDerWaalsContact OG1-O 3.1Å |
| 670 | L | 89.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -94.9 | -20.1 | -169.1 | -63.6 | -177.6 | 0 | 0 | 0 | 114.2 | L623 V627 M662 A666 D672 Y673 A674 F823 L824 | L623-L670 HydrophobicContact CD2-CD1 4.44Å; V627-L670 HydrophobicContact CG2-CD2 3.75Å; M662-L670 HydrophobicContact CB-CD1 4.2Å; M662-L670 HydrophobicContact SD-CD1 4.37Å; A666-L670 HydrophobicContact CB-CD1 4.03Å; A666-L670 HydrophobicContact CB-CG 4.08Å; A666-L670 WeakPolarHBondContact O-CB 3.26Å; A666-L670 PolarHBondContact O-N 2.97Å; L670-D672 PolarHBondContact O-N 2.64Å; L670-Y673 PolarHBondContact O-N 3.23Å; L670-A674 PolarHBondContact O-N 3.45Å; L670-F823 HydrophobicContact CD2-CB 4.23Å; L670-L824 HydrophobicContact CD1-CD2 3.65Å |
| 671 | L | 89.1 | Confident | 88 | Confident | 12 Ų | 12 | 27.1 Ų | 27.1 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | -173.5 | -176.7 | 76.5 | 0 | 0 | 0 | 112.7 | P667 Y673 A674 K675 I842 F843 M877 | P667-L671 WeakPolarHBondContact O-CB 3.49Å; L671-Y673 VanDerWaalsContact C-N 3.25Å; L671-Y673 PolarHBondContact O-N 3.06Å; L671-A674 WeakPolarHBondContact O-CB 3.11Å; L671-A674 PolarHBondContact O-N 3.41Å; L671-A674 VanDerWaalsContact O-N 3.12Å; L671-K675 HydrophobicContact CD2-CD 4.24Å; L671-K675 HydrophobicContact CG-CD 4.03Å; L671-K675 HydrophobicContact CG-CG 4.33Å; L671-K675 WeakPolarHBondContact O-CG 3.49Å; L671-K675 PolarHBondContact O-N 3.19Å; L671-I842 HydrophobicContact CD1-CG2 3.7Å; L671-I842 HydrophobicContact CD2-CG2 4.05Å; L671-I842 HydrophobicContact CG-CG2 4.21Å; L671-F843 HydrophobicContact CD1-CE1 4.33Å; L671-M877 HydrophobicContact CB-CE 4.39Å; L671-M877 HydrophobicContact CD1-CE 3.72Å; L671-M877 HydrophobicContact CD2-CE 3.24Å; L671-M877 HydrophobicContact CG-CE 3.93Å |
| 672 | D | 87.9 | Confident | 87.9 | Confident | 111 Ų | 111 | 27.1 Ų | 27.1 | 59% | 0.594 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -62 | -37.2 | -177.4 | -71.3 | -23.7 | 0 | 0 | 0 | 111.6 | L670 R676 | L670-D672 PolarHBondContact O-N 2.64Å; D672-R676 WeakPolarHBondContact O-CB 3.31Å; D672-R676 PolarHBondContact O-N 3.13Å |
| 673 | Y | 90.9 | Very high | 87.7 | Confident | 53 Ų | 53 | 32.2 Ų | 32.2 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 174.7 | -60.8 | -75.4 | 0 | 0 | 0 | 111.9 | V627 T669 L670 L671 R676 I677 | V627-Y673 HydrophobicContact CB-CE2 4.44Å; V627-Y673 HydrophobicContact CG1-CD2 4.46Å; V627-Y673 HydrophobicContact CG1-CE2 3.97Å; V627-Y673 HydrophobicContact CG2-CD1 4.46Å; V627-Y673 HydrophobicContact CG2-CD2 3.87Å; V627-Y673 HydrophobicContact CG2-CE2 4.21Å; V627-Y673 HydrophobicContact CG2-CG 4Å; T669-Y673 WeakPolarHBondContact O-CD2 3.42Å; T669-Y673 VanDerWaalsContact O-CE2 3.27Å; T669-Y673 WeakPolarHBondContact O-CE2 3.4Å; L670-Y673 PolarHBondContact O-N 3.23Å; L671-Y673 VanDerWaalsContact C-N 3.25Å; L671-Y673 PolarHBondContact O-N 3.06Å; Y673-R676 WeakPolarHBondContact O-CB 3.19Å; Y673-R676 PolarHBondContact O-N 3.14Å; Y673-I677 VanDerWaalsContact O-CG1 3.28Å; Y673-I677 WeakPolarHBondContact O-CG1 3.48Å; Y673-I677 PolarHBondContact O-N 3.05Å |
| 674 | A | 92.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L659 S663 L670 L671 R676 I677 I678 F843 | L659-A674 HydrophobicContact CB-CB 4.26Å; L659-A674 HydrophobicContact CD2-CB 4.22Å; S663-A674 VanDerWaalsContact OG-CB 3.31Å; S663-A674 WeakPolarHBondContact OG-CB 3.23Å; L670-A674 PolarHBondContact O-N 3.45Å; L671-A674 WeakPolarHBondContact O-CB 3.11Å; L671-A674 PolarHBondContact O-N 3.41Å; L671-A674 VanDerWaalsContact O-N 3.12Å; A674-R676 VanDerWaalsContact C-N 3.29Å; A674-R676 PolarHBondContact O-N 2.74Å; A674-I677 PolarHBondContact O-N 3.08Å; A674-I678 WeakPolarHBondContact O-CG1 3.27Å; A674-I678 PolarHBondContact O-N 3.36Å; A674-F843 HydrophobicContact CB-CE1 3.85Å; A674-F843 HydrophobicContact CB-CZ 4.09Å |
| 675 | K | 92 | Very high | 87.5 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.2 | -43.7 | 173.9 | -68.6 | 176.5 | 79.1 | -163 | 0 | 111 | L671 I678 V679 I842 F843 D846 H881 | L671-K675 HydrophobicContact CD2-CD 4.24Å; L671-K675 HydrophobicContact CG-CD 4.03Å; L671-K675 HydrophobicContact CG-CG 4.33Å; L671-K675 WeakPolarHBondContact O-CG 3.49Å; L671-K675 PolarHBondContact O-N 3.19Å; K675-I678 PolarHBondContact O-N 2.83Å; K675-V679 WeakPolarHBondContact O-CG2 2.94Å; K675-V679 PolarHBondContact O-N 3.35Å; K675-I842 HydrophobicContact CD-CG2 3.94Å; K675-I842 VanDerWaalsContact CE-O 3.28Å; K675-I842 WeakPolarHBondContact CE-O 3.36Å; K675-I842 HydrophobicContact CG-CG2 4.32Å; K675-F843 HydrophobicContact CG-CD1 4.01Å; K675-F843 HydrophobicContact CG-CE1 4.4Å; K675-D846 VanDerWaalsContact CE-OD1 3.26Å; K675-D846 WeakPolarHBondContact CE-OD1 3.29Å; K675-D846 WeakPolarHBondContact CE-OD2 3.5Å; K675-D846 VanDerWaalsContact NZ-CG 3.25Å; K675-D846 IonicContact NZ-OD1 2.65Å; K675-D846 PolarHBondContact NZ-OD1 3.33Å; K675-D846 IonicContact NZ-OD2 3.29Å; K675-D846 PolarHBondContact NZ-OD2 2.95Å; K675-H881 PolarHBondContact NZ-NE2 3.12Å; K675-H881 VanDerWaalsContact NZ-NE2 3.15Å |
| 676 | R | 90.5 | Very high | 87.5 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 176.6 | -169.9 | 176.5 | 71 | -171.3 | -1.2 | 112.9 | T626 N631 D672 Y673 A674 I678 V679 Y680 | T626-R676 PolarHBondContact O-NH2 3.45Å; N631-R676 PolarHBondContact OD1-NH1 3.13Å; D672-R676 WeakPolarHBondContact O-CB 3.31Å; D672-R676 PolarHBondContact O-N 3.13Å; Y673-R676 WeakPolarHBondContact O-CB 3.19Å; Y673-R676 PolarHBondContact O-N 3.14Å; A674-R676 VanDerWaalsContact C-N 3.29Å; A674-R676 PolarHBondContact O-N 2.74Å; R676-I678 VanDerWaalsContact C-N 3.31Å; R676-I678 PolarHBondContact O-N 3.31Å; R676-V679 PolarHBondContact O-N 3.07Å; R676-Y680 WeakPolarHBondContact CD-OH 3.38Å; R676-Y680 HydrophobicContact CG-CE1 4.04Å; R676-Y680 HydrophobicContact CG-CE2 4.08Å; R676-Y680 PolarHBondContact NE-OH 2.93Å; R676-Y680 PolarHBondContact O-N 3.13Å; R676-Y680 VanDerWaalsContact O-N 3.08Å |
| 677 | I | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 177.4 | -65.2 | 161.1 | 0 | 0 | 0 | 110.8 | L623 T626 W641 L659 Y673 A674 V679 Y680 F681 | L623-I677 HydrophobicContact CD1-CD1 3.95Å; T626-I677 HydrophobicContact CG2-CD1 4.03Å; T626-I677 HydrophobicContact CG2-CG1 4.01Å; W641-I677 HydrophobicContact CD2-CG2 3.81Å; W641-I677 HydrophobicContact CE3-CG2 4.1Å; W641-I677 HydrophobicContact CG-CG2 4.12Å; W641-I677 HydrophobicContact CH2-CD1 4.35Å; W641-I677 HydrophobicContact CZ2-CD1 3.59Å; W641-I677 HydrophobicContact CZ2-CG1 4.2Å; W641-I677 HydrophobicContact CZ2-CG2 4.37Å; W641-I677 HydrophobicContact CZ3-CG2 4.5Å; L659-I677 HydrophobicContact CD1-CB 4.02Å; L659-I677 HydrophobicContact CD1-CD1 4.36Å; L659-I677 HydrophobicContact CD1-CG2 3.8Å; L659-I677 HydrophobicContact CD2-CD1 3.91Å; Y673-I677 VanDerWaalsContact O-CG1 3.28Å; Y673-I677 WeakPolarHBondContact O-CG1 3.48Å; Y673-I677 PolarHBondContact O-N 3.05Å; A674-I677 PolarHBondContact O-N 3.08Å; I677-V679 VanDerWaalsContact C-N 3.33Å; I677-V679 PolarHBondContact O-N 3.45Å; I677-Y680 VanDerWaalsContact O-CB 3.29Å; I677-Y680 WeakPolarHBondContact O-CB 3.24Å; I677-Y680 PolarHBondContact O-N 3.25Å; I677-Y680 VanDerWaalsContact O-N 3.11Å; I677-F681 HydrophobicContact CG2-CD2 4.31Å; I677-F681 HydrophobicContact CG2-CE1 4.33Å; I677-F681 HydrophobicContact CG2-CE2 3.63Å; I677-F681 HydrophobicContact CG2-CZ 3.63Å; I677-F681 PolarHBondContact O-N 3.12Å; I677-F681 VanDerWaalsContact O-N 3.08Å |
| 678 | I | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.8 | -37.1 | 178.8 | -68.7 | 170.6 | 0 | 0 | 0 | 111.5 | L659 A674 K675 R676 Y680 F681 A682 V689 L693 F843 V847 | L659-I678 HydrophobicContact CD1-CG1 4.15Å; A674-I678 WeakPolarHBondContact O-CG1 3.27Å; A674-I678 PolarHBondContact O-N 3.36Å; K675-I678 PolarHBondContact O-N 2.83Å; R676-I678 VanDerWaalsContact C-N 3.31Å; R676-I678 PolarHBondContact O-N 3.31Å; I678-Y680 VanDerWaalsContact C-N 3.3Å; I678-Y680 PolarHBondContact O-N 3.34Å; I678-F681 PolarHBondContact O-N 3.21Å; I678-A682 WeakPolarHBondContact O-CB 3.49Å; I678-A682 PolarHBondContact O-N 2.95Å; I678-V689 HydrophobicContact CG2-CG1 3.98Å; I678-L693 HydrophobicContact CG2-CD1 4.07Å; I678-F843 HydrophobicContact CD1-CB 3.62Å; I678-F843 HydrophobicContact CD1-CD1 3.43Å; I678-F843 VanDerWaalsContact CD1-CD1 3.43Å; I678-F843 HydrophobicContact CD1-CD2 3.09Å; I678-F843 HydrophobicContact CD1-CE1 3.7Å; I678-F843 HydrophobicContact CD1-CE2 3.36Å; I678-F843 HydrophobicContact CD1-CG 3.1Å; I678-F843 HydrophobicContact CD1-CZ 3.67Å; I678-F843 HydrophobicContact CG2-CB 4.41Å; I678-V847 HydrophobicContact CG2-CG2 3.65Å |
| 679 | V | 89.4 | Confident | 87.8 | Confident | 19 Ų | 19 | 31.2 Ų | 31.2 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 171.5 | 173 | 0 | 0 | 0 | 0 | 111.4 | K675 R676 I677 F681 A682 R683 D846 | K675-V679 WeakPolarHBondContact O-CG2 2.94Å; K675-V679 PolarHBondContact O-N 3.35Å; R676-V679 PolarHBondContact O-N 3.07Å; I677-V679 VanDerWaalsContact C-N 3.33Å; I677-V679 PolarHBondContact O-N 3.45Å; V679-F681 PolarHBondContact O-N 3.29Å; V679-A682 PolarHBondContact O-N 3.27Å; V679-R683 WeakPolarHBondContact O-CG 3.24Å; V679-R683 PolarHBondContact O-N 3.5Å; V679-R683 VanDerWaalsContact O-N 3.08Å; V679-D846 HydrophobicContact CG2-CB 4Å |
| 680 | Y | 89.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 173 | -61.8 | -26.3 | 0 | 0 | 0 | 112 | E638 R676 I677 I678 R683 | E638-Y680 HydrophobicContact CB-CD1 3.75Å; E638-Y680 HydrophobicContact CB-CD2 4.09Å; E638-Y680 HydrophobicContact CB-CE1 3.89Å; E638-Y680 HydrophobicContact CB-CE2 4.22Å; E638-Y680 HydrophobicContact CB-CG 3.86Å; E638-Y680 VanDerWaalsContact CD-CD1 3.49Å; E638-Y680 HydrophobicContact CG-CD1 3.58Å; E638-Y680 HydrophobicContact CG-CD2 4.49Å; E638-Y680 HydrophobicContact CG-CE1 4.15Å; E638-Y680 HydrophobicContact CG-CG 3.78Å; R676-Y680 WeakPolarHBondContact CD-OH 3.38Å; R676-Y680 HydrophobicContact CG-CE1 4.04Å; R676-Y680 HydrophobicContact CG-CE2 4.08Å; R676-Y680 PolarHBondContact NE-OH 2.93Å; R676-Y680 PolarHBondContact O-N 3.13Å; R676-Y680 VanDerWaalsContact O-N 3.08Å; I677-Y680 VanDerWaalsContact O-CB 3.29Å; I677-Y680 WeakPolarHBondContact O-CB 3.24Å; I677-Y680 PolarHBondContact O-N 3.25Å; I677-Y680 VanDerWaalsContact O-N 3.11Å; I678-Y680 VanDerWaalsContact C-N 3.3Å; I678-Y680 PolarHBondContact O-N 3.34Å; Y680-R683 PolarHBondContact O-N 3.16Å |
| 681 | F | 89.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 176.3 | -61.4 | -30.9 | 0 | 0 | 0 | 112.9 | W641 V645 I655 I677 I678 V679 R683 V684 C685 V689 | W641-F681 HydrophobicContact CB-CE1 3.73Å; W641-F681 HydrophobicContact CB-CZ 4.32Å; W641-F681 HydrophobicContact CD2-CZ 4.28Å; W641-F681 HydrophobicContact CE3-CE1 4.15Å; W641-F681 AromaticContact CE3-CZ 3.65Å; W641-F681 HydrophobicContact CE3-CZ 3.65Å; W641-F681 HydrophobicContact CG-CE1 4.45Å; W641-F681 HydrophobicContact CZ3-CZ 4.32Å; W641-F681 WeakPolarHBondContact O-CE1 3.23Å; V645-F681 HydrophobicContact CB-CD1 4.43Å; V645-F681 HydrophobicContact CG2-CD1 3.78Å; V645-F681 HydrophobicContact CG2-CE1 3.56Å; V645-F681 HydrophobicContact CG2-CG 4.43Å; V645-F681 HydrophobicContact CG2-CZ 4.05Å; I655-F681 HydrophobicContact CB-CE2 4.1Å; I655-F681 HydrophobicContact CB-CZ 4.34Å; I655-F681 HydrophobicContact CD1-CE1 4.47Å; I655-F681 HydrophobicContact CD1-CE2 4.24Å; I655-F681 HydrophobicContact CD1-CZ 3.72Å; I655-F681 HydrophobicContact CG2-CE2 3.56Å; I655-F681 HydrophobicContact CG2-CZ 3.78Å; I677-F681 HydrophobicContact CG2-CD2 4.31Å; I677-F681 HydrophobicContact CG2-CE1 4.33Å; I677-F681 HydrophobicContact CG2-CE2 3.63Å; I677-F681 HydrophobicContact CG2-CZ 3.63Å; I677-F681 PolarHBondContact O-N 3.12Å; I677-F681 VanDerWaalsContact O-N 3.08Å; I678-F681 PolarHBondContact O-N 3.21Å; V679-F681 PolarHBondContact O-N 3.29Å; F681-R683 PolarHBondContact O-N 3.43Å; F681-V684 PolarHBondContact O-N 3.47Å; F681-V684 VanDerWaalsContact O-N 3.1Å; F681-C685 PolarHBondContact O-N 2.67Å; F681-C685 PolarHBondContact O-SG 2.97Å; F681-C685 VanDerWaalsContact O-SG 3.38Å; F681-V689 HydrophobicContact CB-CG2 3.56Å |
| 682 | A | 86.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I678 V679 V684 P686 V847 M852 | I678-A682 WeakPolarHBondContact O-CB 3.49Å; I678-A682 PolarHBondContact O-N 2.95Å; V679-A682 PolarHBondContact O-N 3.27Å; A682-V684 PolarHBondContact O-N 3.16Å; A682-V684 VanDerWaalsContact O-N 3.14Å; A682-P686 WeakPolarHBondContact O-CA 3.33Å; A682-P686 WeakPolarHBondContact O-CB 3.48Å; A682-P686 WeakPolarHBondContact O-CD 3.27Å; A682-P686 VanDerWaalsContact O-N 3.09Å; A682-V847 HydrophobicContact CB-CG1 3.87Å; A682-V847 HydrophobicContact CB-CG2 4.26Å; A682-M852 HydrophobicContact CB-SD 3.81Å; A682-M852 WeakPolarHBondContact O-CE 3.47Å |
| 683 | R | 84.5 | Confident | 87.5 | Confident | 108 Ų | 108 | 23.7 Ų | 23.7 | 41% | 0.408 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -59 | -27.4 | 178.4 | -74.6 | 171.2 | -178.2 | 175.2 | 4.8 | 115 | E638 V679 Y680 F681 M852 | E638-R683 VanDerWaalsContact CD-NH1 3.33Å; E638-R683 WeakPolarHBondContact OE1-CD 3.5Å; E638-R683 IonicContact OE1-CZ 2.88Å; E638-R683 IonicContact OE1-NE 3.86Å; E638-R683 IonicContact OE1-NH1 2.81Å; E638-R683 PolarHBondContact OE1-NH1 3.21Å; E638-R683 IonicContact OE2-NH1 3.79Å; E638-R683 PolarHBondContact OE2-NH1 2.84Å; V679-R683 WeakPolarHBondContact O-CG 3.24Å; V679-R683 PolarHBondContact O-N 3.5Å; V679-R683 VanDerWaalsContact O-N 3.08Å; Y680-R683 PolarHBondContact O-N 3.16Å; F681-R683 PolarHBondContact O-N 3.43Å; R683-M852 VanDerWaalsContact CA-CE 3.5Å |
| 684 | V | 82.4 | Confident | 87.1 | Confident | 70 Ų | 70 | 21.7 Ų | 21.7 | 42% | 0.424 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -102.9 | -37.2 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | T642 F681 A682 | T642-V684 HydrophobicContact CG2-CB 4.06Å; T642-V684 HydrophobicContact CG2-CG2 3.28Å; F681-V684 PolarHBondContact O-N 3.47Å; F681-V684 VanDerWaalsContact O-N 3.1Å; A682-V684 PolarHBondContact O-N 3.16Å; A682-V684 VanDerWaalsContact O-N 3.14Å |
| 685 | C | 84.5 | Confident | 86.5 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 7% | 0.068 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -139.9 | 63 | -177.7 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | V645 F681 E687 R688 V689 | V645-C685 VanDerWaalsContact CG1-SG 3.52Å; F681-C685 PolarHBondContact O-N 2.67Å; F681-C685 PolarHBondContact O-SG 2.97Å; F681-C685 VanDerWaalsContact O-SG 3.38Å; C685-E687 PolarHBondContact O-N 3.03Å; C685-R688 HydrophobicContact CB-CB 4.3Å; C685-R688 PolarHBondContact O-N 3.46Å; C685-R688 VanDerWaalsContact O-N 3.12Å; C685-V689 PolarHBondContact O-N 3.15Å; C685-V689 VanDerWaalsContact O-N 3.14Å |
| 686 | P | 84.4 | Confident | 86 | Confident | 27 Ų | 27 | 24.5 Ų | 24.5 | 18% | 0.175 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | -166.4 | 22.9 | -32.2 | 0 | 0 | 0 | 112.7 | A682 R688 V689 V690 M852 V854 | A682-P686 WeakPolarHBondContact O-CA 3.33Å; A682-P686 WeakPolarHBondContact O-CB 3.48Å; A682-P686 WeakPolarHBondContact O-CD 3.27Å; A682-P686 VanDerWaalsContact O-N 3.09Å; P686-R688 VanDerWaalsContact C-N 3.28Å; P686-R688 PolarHBondContact O-N 2.87Å; P686-V689 PolarHBondContact O-N 3.48Å; P686-V690 WeakPolarHBondContact O-CB 3.22Å; P686-V690 VanDerWaalsContact O-CG2 3.28Å; P686-V690 WeakPolarHBondContact O-CG2 3.48Å; P686-V690 PolarHBondContact O-N 3.05Å; P686-M852 HydrophobicContact CB-CB 4.28Å; P686-M852 HydrophobicContact CB-CE 4.14Å; P686-M852 HydrophobicContact CB-SD 3.8Å; P686-M852 HydrophobicContact CG-CE 4.2Å; P686-V854 HydrophobicContact CB-CG2 3.57Å; P686-V854 HydrophobicContact CG-CG2 4.13Å |
| 687 | E | 81.7 | Confident | 85.6 | Confident | 64 Ų | 64 | 22.4 Ų | 22.4 | 30% | 0.299 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 178.9 | -64 | -171.5 | 158.4 | 0 | 0 | 112.7 | S590 C685 N691 V854 | S590-E687 WeakPolarHBondContact CB-OE2 3.32Å; S590-E687 PolarHBondContact OG-OE1 2.85Å; S590-E687 VanDerWaalsContact OG-OE1 3.08Å; S590-E687 PolarHBondContact OG-OE2 3Å; C685-E687 PolarHBondContact O-N 3.03Å; E687-N691 VanDerWaalsContact O-CB 3.22Å; E687-N691 WeakPolarHBondContact O-CB 3.48Å; E687-N691 PolarHBondContact O-N 2.8Å; E687-N691 PolarHBondContact O-ND2 3.25Å; E687-V854 HydrophobicContact CG-CG2 4.44Å |
| 688 | R | 83.4 | Confident | 84.7 | Confident | 34 Ų | 34 | 28.7 Ų | 28.7 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.3 | -43.7 | -179.2 | -170.6 | 173.3 | -69.5 | 141.1 | 0.7 | 111 | S594 P649 C685 P686 N691 V692 | S594-R688 PolarHBondContact OG-NH2 3.35Å; P649-R688 VanDerWaalsContact CB-NH1 3.32Å; C685-R688 HydrophobicContact CB-CB 4.3Å; C685-R688 PolarHBondContact O-N 3.46Å; C685-R688 VanDerWaalsContact O-N 3.12Å; P686-R688 VanDerWaalsContact C-N 3.28Å; P686-R688 PolarHBondContact O-N 2.87Å; R688-N691 PolarHBondContact O-N 2.88Å; R688-V692 WeakPolarHBondContact O-CG2 3.45Å; R688-V692 PolarHBondContact O-N 2.96Å |
| 689 | V | 88.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | V652 I656 I678 F681 C685 P686 N691 V692 L693 | V652-V689 HydrophobicContact CG1-CG2 4.19Å; I656-V689 HydrophobicContact CD1-CG1 4.5Å; I678-V689 HydrophobicContact CG2-CG1 3.98Å; F681-V689 HydrophobicContact CB-CG2 3.56Å; C685-V689 PolarHBondContact O-N 3.15Å; C685-V689 VanDerWaalsContact O-N 3.14Å; P686-V689 PolarHBondContact O-N 3.48Å; V689-N691 VanDerWaalsContact C-N 3.34Å; V689-N691 PolarHBondContact O-N 3.32Å; V689-V692 PolarHBondContact O-N 3.24Å; V689-L693 HydrophobicContact CG1-CD1 3.77Å; V689-L693 HydrophobicContact CG1-CG 4.35Å; V689-L693 WeakPolarHBondContact O-CB 3.34Å; V689-L693 WeakPolarHBondContact O-CG 3.35Å; V689-L693 PolarHBondContact O-N 2.7Å |
| 690 | V | 87.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | P686 L693 T694 V847 W856 | P686-V690 WeakPolarHBondContact O-CB 3.22Å; P686-V690 VanDerWaalsContact O-CG2 3.28Å; P686-V690 WeakPolarHBondContact O-CG2 3.48Å; P686-V690 PolarHBondContact O-N 3.05Å; V690-L693 PolarHBondContact O-N 3.48Å; V690-T694 HydrophobicContact CG1-CG2 4.08Å; V690-T694 VanDerWaalsContact O-CB 3.3Å; V690-T694 WeakPolarHBondContact O-CB 3.5Å; V690-T694 WeakPolarHBondContact O-CG2 3.4Å; V690-T694 PolarHBondContact O-N 2.92Å; V690-T694 PolarHBondContact O-OG1 2.75Å; V690-V847 HydrophobicContact CG2-CG1 4.32Å; V690-W856 HydrophobicContact CG1-CZ3 4.23Å; V690-W856 HydrophobicContact CG2-CH2 3.73Å; V690-W856 HydrophobicContact CG2-CZ2 4.21Å; V690-W856 HydrophobicContact CG2-CZ3 4.25Å |
| 691 | N | 83.2 | Confident | 81.1 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.5 | -74 | -24.7 | 0 | 0 | 0 | 112.2 | L587 E687 R688 V689 T694 T695 | L587-N691 HydrophobicContact CD2-CB 4.06Å; E687-N691 VanDerWaalsContact O-CB 3.22Å; E687-N691 WeakPolarHBondContact O-CB 3.48Å; E687-N691 PolarHBondContact O-N 2.8Å; E687-N691 PolarHBondContact O-ND2 3.25Å; R688-N691 PolarHBondContact O-N 2.88Å; V689-N691 VanDerWaalsContact C-N 3.34Å; V689-N691 PolarHBondContact O-N 3.32Å; N691-T694 VanDerWaalsContact CA-OG1 3.32Å; N691-T694 WeakPolarHBondContact CA-OG1 3.32Å; N691-T694 PolarHBondContact O-N 3.23Å; N691-T694 PolarHBondContact O-OG1 3.44Å; N691-T695 WeakPolarHBondContact O-CG2 3.44Å; N691-T695 PolarHBondContact O-N 3.33Å; N691-T695 PolarHBondContact O-OG1 3.44Å |
| 692 | V | 85.5 | Confident | 79.8 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -50.8 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | V652 R653 I656 R688 V689 T694 T695 E696 | V652-V692 HydrophobicContact CG1-CG2 4.4Å; R653-V692 HydrophobicContact CG-CG1 4.18Å; R653-V692 HydrophobicContact CG-CG2 3.71Å; I656-V692 HydrophobicContact CD1-CB 4.17Å; I656-V692 HydrophobicContact CD1-CG1 3.82Å; I656-V692 HydrophobicContact CG2-CG1 4.46Å; R688-V692 WeakPolarHBondContact O-CG2 3.45Å; R688-V692 PolarHBondContact O-N 2.96Å; V689-V692 PolarHBondContact O-N 3.24Å; V692-T694 VanDerWaalsContact C-N 3.28Å; V692-T694 PolarHBondContact O-N 3.42Å; V692-T695 WeakPolarHBondContact CA-OG1 3.44Å; V692-T695 PolarHBondContact O-N 3.13Å; V692-T695 VanDerWaalsContact O-N 3.14Å; V692-T695 PolarHBondContact O-OG1 3.04Å; V692-E696 VanDerWaalsContact O-CG 3.32Å; V692-E696 WeakPolarHBondContact O-CG 3.36Å; V692-E696 PolarHBondContact O-N 3.49Å |
| 693 | L | 88.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -34.3 | -180 | -66.3 | 174.4 | 0 | 0 | 0 | 112.6 | I656 I678 V689 V690 E696 L697 A840 F843 L844 | I656-L693 HydrophobicContact CD1-CD2 4.29Å; I656-L693 HydrophobicContact CD1-CG 4.41Å; I656-L693 HydrophobicContact CG2-CD2 3.98Å; I678-L693 HydrophobicContact CG2-CD1 4.07Å; V689-L693 HydrophobicContact CG1-CD1 3.77Å; V689-L693 HydrophobicContact CG1-CG 4.35Å; V689-L693 WeakPolarHBondContact O-CB 3.34Å; V689-L693 WeakPolarHBondContact O-CG 3.35Å; V689-L693 PolarHBondContact O-N 2.7Å; V690-L693 PolarHBondContact O-N 3.48Å; L693-E696 WeakPolarHBondContact O-CB 3.46Å; L693-E696 PolarHBondContact O-N 2.9Å; L693-L697 WeakPolarHBondContact O-CG 3.15Å; L693-L697 PolarHBondContact O-N 3.01Å; L693-A840 HydrophobicContact CD2-CB 4.49Å; L693-F843 HydrophobicContact CD1-CB 4.21Å; L693-F843 HydrophobicContact CD2-CB 4.1Å; L693-F843 HydrophobicContact CD2-CD2 4.02Å; L693-L844 HydrophobicContact CB-CD1 4.05Å; L693-L844 HydrophobicContact CB-CD2 4.05Å; L693-L844 HydrophobicContact CB-CG 3.98Å; L693-L844 HydrophobicContact CD1-CD2 3.86Å; L693-L844 HydrophobicContact CD1-CG 3.93Å |
| 694 | T | 81.9 | Confident | 77.1 | Confident | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.4 | -33.8 | 175.7 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | V690 N691 V692 E696 L697 E698 H859 | V690-T694 HydrophobicContact CG1-CG2 4.08Å; V690-T694 VanDerWaalsContact O-CB 3.3Å; V690-T694 WeakPolarHBondContact O-CB 3.5Å; V690-T694 WeakPolarHBondContact O-CG2 3.4Å; V690-T694 PolarHBondContact O-N 2.92Å; V690-T694 PolarHBondContact O-OG1 2.75Å; N691-T694 VanDerWaalsContact CA-OG1 3.32Å; N691-T694 WeakPolarHBondContact CA-OG1 3.32Å; N691-T694 PolarHBondContact O-N 3.23Å; N691-T694 PolarHBondContact O-OG1 3.44Å; V692-T694 VanDerWaalsContact C-N 3.28Å; V692-T694 PolarHBondContact O-N 3.42Å; T694-E696 VanDerWaalsContact C-N 3.31Å; T694-L697 HydrophobicContact CG2-CD1 4.33Å; T694-L697 WeakPolarHBondContact O-CB 3.45Å; T694-L697 PolarHBondContact O-N 2.74Å; T694-E698 PolarHBondContact O-N 3.01Å; T694-H859 HydrophobicContact CG2-CB 4.14Å |
| 695 | T | 80.9 | Confident | 76.2 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 29% | 0.288 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.3 | -35.5 | 168.5 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | N691 V692 L697 E698 | N691-T695 WeakPolarHBondContact O-CG2 3.44Å; N691-T695 PolarHBondContact O-N 3.33Å; N691-T695 PolarHBondContact O-OG1 3.44Å; V692-T695 WeakPolarHBondContact CA-OG1 3.44Å; V692-T695 PolarHBondContact O-N 3.13Å; V692-T695 VanDerWaalsContact O-N 3.14Å; V692-T695 PolarHBondContact O-OG1 3.04Å; T695-L697 VanDerWaalsContact C-N 3.35Å; T695-E698 PolarHBondContact O-N 2.93Å |
| 696 | E | 81.1 | Confident | 75.2 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.1 | -33 | 174.6 | -63.6 | -65.9 | 140.6 | 0 | 0 | 112.2 | V692 L693 T694 E698 T699 R836 A840 | V692-E696 VanDerWaalsContact O-CG 3.32Å; V692-E696 WeakPolarHBondContact O-CG 3.36Å; V692-E696 PolarHBondContact O-N 3.49Å; L693-E696 WeakPolarHBondContact O-CB 3.46Å; L693-E696 PolarHBondContact O-N 2.9Å; T694-E696 VanDerWaalsContact C-N 3.31Å; E696-E698 VanDerWaalsContact C-N 3.25Å; E696-E698 PolarHBondContact O-N 3.16Å; E696-T699 PolarHBondContact O-N 3.17Å; E696-T699 VanDerWaalsContact O-N 3.12Å; E696-T699 PolarHBondContact O-OG1 2.97Å; E696-R836 IonicContact OE1-CZ 3.57Å; E696-R836 IonicContact OE1-NH2 3.96Å; E696-R836 PolarHBondContact OE1-NH2 3.36Å; E696-R836 IonicContact OE2-CZ 3.77Å; E696-R836 IonicContact OE2-NE 2.7Å; E696-R836 PolarHBondContact OE2-NE 2.87Å; E696-R836 IonicContact OE2-NH2 3.91Å; E696-R836 PolarHBondContact OE2-NH2 3.39Å; E696-A840 HydrophobicContact CB-CB 3.83Å |
| 697 | L | 81.1 | Confident | 74.7 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -29.9 | 174.9 | -75.7 | 174.9 | 0 | 0 | 0 | 113.3 | L693 T694 T695 T699 C837 A840 V841 L844 L862 L863 V866 | L693-L697 WeakPolarHBondContact O-CG 3.15Å; L693-L697 PolarHBondContact O-N 3.01Å; T694-L697 HydrophobicContact CG2-CD1 4.33Å; T694-L697 WeakPolarHBondContact O-CB 3.45Å; T694-L697 PolarHBondContact O-N 2.74Å; T695-L697 VanDerWaalsContact C-N 3.35Å; L697-T699 VanDerWaalsContact C-N 3.28Å; L697-C837 WeakPolarHBondContact CD2-O 3.49Å; L697-A840 HydrophobicContact CD2-CB 3.87Å; L697-A840 HydrophobicContact CG-CB 3.97Å; L697-V841 HydrophobicContact CD2-CB 4.48Å; L697-V841 HydrophobicContact CD2-CG2 3.47Å; L697-V841 VanDerWaalsContact CD2-CG2 3.47Å; L697-L844 HydrophobicContact CD1-CD1 3.44Å; L697-L844 VanDerWaalsContact CD1-CD1 3.44Å; L697-L844 HydrophobicContact CD2-CD1 4.38Å; L697-L844 HydrophobicContact CG-CD1 4.01Å; L697-L862 HydrophobicContact CB-CD2 4.03Å; L697-L862 HydrophobicContact CB-CG 4.41Å; L697-L862 HydrophobicContact CD1-CD2 4.33Å; L697-L862 HydrophobicContact CD1-CG 4.46Å; L697-L863 HydrophobicContact CD1-CD2 3.61Å; L697-V866 HydrophobicContact CD2-CB 4.39Å; L697-V866 HydrophobicContact CD2-CG1 4.07Å; L697-V866 HydrophobicContact CD2-CG2 4.35Å |
| 698 | E | 74.6 | Confident | 74.4 | Confident | 132 Ų | 132 | 46.9 Ų | 46.9 | 62% | 0.617 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -13.2 | 177.3 | -65.1 | 179.6 | 169.3 | 0 | 0 | 112.3 | T694 T695 E696 L862 | T694-E698 PolarHBondContact O-N 3.01Å; T695-E698 PolarHBondContact O-N 2.93Å; E696-E698 VanDerWaalsContact C-N 3.25Å; E696-E698 PolarHBondContact O-N 3.16Å; E698-L862 HydrophobicContact CG-CD1 4.41Å; E698-L862 HydrophobicContact CG-CD2 3.89Å |
| 699 | T | 70.4 | Confident | 74.3 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | trans | -88.5 | 120.4 | 179.8 | 63 | 0 | 0 | 0 | 0 | 112.1 | E696 L697 C837 | E696-T699 PolarHBondContact O-N 3.17Å; E696-T699 VanDerWaalsContact O-N 3.12Å; E696-T699 PolarHBondContact O-OG1 2.97Å; L697-T699 VanDerWaalsContact C-N 3.28Å; T699-C837 WeakPolarHBondContact O-CB 3.48Å | ||
| 700 | V | 63.2 | Low | 73.9 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 35% | 0.352 | 25% | 0.251 | S | S | . | . | trans | -92.8 | -16.7 | -178.6 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | H835 I1536 F1538 | V700-H835 PolarHBondContact O-CE1 3.04Å; V700-H835 PolarHBondContact O-ND1 3.35Å; V700-I1536 HydrophobicContact CB-CD1 4.25Å; V700-I1536 HydrophobicContact CG1-CD1 3.5Å; V700-F1538 HydrophobicContact CG1-CE2 3.68Å; V700-F1538 HydrophobicContact CG1-CZ 3.33Å | ||
| 701 | E | 61.3 | Low | 73.4 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -71.1 | 145.6 | -179.3 | -65.7 | 170.8 | 169.8 | 0 | 0 | 112 | R704 | E701-R704 WeakPolarHBondContact OE2-CG 3.2Å; E701-R704 IonicContact OE2-NE 3.52Å |
| 702 | I | 61.6 | Low | 73.3 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -62.7 | -58.4 | 175.2 | -59.4 | 172.7 | 0 | 0 | 0 | 109 | L833 H835 R836 | I702-L833 HydrophobicContact CG2-CB 3.5Å; I702-L833 HydrophobicContact CG2-CD1 3.81Å; I702-L833 HydrophobicContact CG2-CG 4.26Å; I702-H835 VanDerWaalsContact CG1-CE1 3.47Å; I702-H835 WeakPolarHBondContact CG1-CE1 3.39Å; I702-R836 VanDerWaalsContact O-CG 3.25Å; I702-R836 WeakPolarHBondContact O-CG 3.49Å |
| 703 | F | 58 | Low | 73 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -158.9 | 142.5 | 163.1 | -69.4 | -73.4 | 0 | 0 | 0 | 107.4 | V661 N705 W718 R836 | V661-F703 HydrophobicContact CG2-CE1 4.09Å; V661-F703 HydrophobicContact CG2-CZ 3.93Å; F703-N705 PolarHBondContact O-N 3.47Å; F703-W718 HydrophobicContact CB-CH2 4.11Å; F703-W718 HydrophobicContact CB-CZ3 3.66Å; F703-W718 AromaticContact CD1-CH2 3.52Å; F703-W718 HydrophobicContact CD1-CH2 3.52Å; F703-W718 HydrophobicContact CD1-CZ3 4.01Å; F703-W718 HydrophobicContact CD2-CH2 4.42Å; F703-W718 HydrophobicContact CD2-CZ3 4.47Å; F703-W718 HydrophobicContact CE1-CH2 4.03Å; F703-W718 AromaticContact CG-CH2 3.75Å; F703-W718 HydrophobicContact CG-CH2 3.75Å; F703-W718 AromaticContact CG-CZ3 3.79Å; F703-W718 HydrophobicContact CG-CZ3 3.79Å; F703-R836 HydrophobicContact CD1-CG 4.16Å; F703-R836 HydrophobicContact CE1-CG 4Å | ||
| 704 | R | 56.3 | Low | 72.5 | Confident | 157 Ų | 157 | 63.6 Ų | 63.6 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -59.5 | -32.3 | 179.6 | -82.6 | -174.7 | 179.4 | 178.3 | 1.3 | 113.5 | E579 E701 | E579-R704 IonicContact OE1-NH1 2.91Å; E579-R704 PolarHBondContact OE1-NH1 2.92Å; E579-R704 IonicContact OE2-NH1 3.44Å; E701-R704 WeakPolarHBondContact OE2-CG 3.2Å; E701-R704 IonicContact OE2-NE 3.52Å |
| 705 | N | 62.2 | Low | 72.6 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -111.5 | 137.5 | -178.2 | -65.5 | 47.5 | 0 | 0 | 0 | 108.6 | F703 L707 W718 | F703-N705 PolarHBondContact O-N 3.47Å; N705-L707 PolarHBondContact O-N 3.15Å; N705-W718 HydrophobicContact CB-CB 4.47Å; N705-W718 HydrophobicContact CB-CE3 3.79Å; N705-W718 HydrophobicContact CB-CZ3 4.5Å; N705-W718 WeakPolarHBondContact O-CZ3 3.38Å |
| 706 | P | 64.1 | Low | 72.8 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 137.3 | 174.8 | -13.1 | 23.2 | 0 | 0 | 0 | 110.2 | V719 | P706-V719 HydrophobicContact CB-CB 4.01Å; P706-V719 HydrophobicContact CB-CG2 4.15Å; P706-V719 HydrophobicContact CG-CB 4.09Å; P706-V719 PolarHBondContact O-N 3.44Å |
| 707 | L | 73.8 | Confident | 72.9 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.7 | 178.4 | -173.9 | 79.7 | 0 | 0 | 0 | 108.8 | V661 L665 N705 Y716 W718 L833 | V661-L707 HydrophobicContact CG1-CD1 4.05Å; V661-L707 HydrophobicContact CG1-CD2 3.85Å; L665-L707 HydrophobicContact CD2-CD2 4.45Å; N705-L707 PolarHBondContact O-N 3.15Å; L707-Y716 HydrophobicContact CD1-CD2 3.51Å; L707-Y716 HydrophobicContact CD1-CE2 4.37Å; L707-Y716 HydrophobicContact CD1-CG 3.91Å; L707-W718 HydrophobicContact CB-CZ3 4.32Å; L707-W718 HydrophobicContact CD1-CD2 4.2Å; L707-W718 HydrophobicContact CD1-CE3 4Å; L707-W718 HydrophobicContact CD1-CH2 4.01Å; L707-W718 HydrophobicContact CD1-CZ2 4.21Å; L707-W718 HydrophobicContact CD1-CZ3 3.9Å; L707-L833 HydrophobicContact CD2-CD2 4.22Å |
| 708 | E | 75.9 | Confident | 72.6 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.9 | 170.9 | -77.8 | 176.5 | 179.5 | 0 | 0 | 110.1 | Y716 R717 V719 | E708-Y716 CarbonylContact O-C 3.59Å; E708-Y716 WeakPolarHBondContact O-CA 3.41Å; E708-R717 PolarHBondContact N-O 3.43Å; E708-R717 PolarHBondContact O-N 3Å; E708-V719 HydrophobicContact CB-CG2 4.22Å; E708-V719 HydrophobicContact CG-CG2 3.46Å; E708-V719 VanDerWaalsContact CG-CG2 3.46Å; E708-V719 VanDerWaalsContact OE1-CG2 3.28Å; E708-V719 WeakPolarHBondContact OE1-CG2 3.28Å |
| 709 | R | 80.8 | Confident | 72.4 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 144.7 | 173.2 | -71.3 | 178.8 | 169.6 | -146.6 | -24.4 | 110.3 | L665 Q829 V831 | L665-R709 HydrophobicContact CD2-CG 4.05Å; L665-R709 PolarHBondContact O-NH2 2.9Å; R709-Q829 PolarHBondContact NH1-O 2.74Å; R709-V831 VanDerWaalsContact CZ-CB 3.48Å; R709-V831 VanDerWaalsContact NH1-CG2 3.28Å |
| 710 | T | 81.2 | Confident | 71.9 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | trans | -131 | 153.3 | 176.9 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | V712 Y715 Y716 R717 | T710-V712 VanDerWaalsContact C-N 3.3Å; T710-V712 PolarHBondContact OG1-O 3.41Å; T710-Y715 PolarHBondContact N-O 3.34Å; T710-Y715 CarbonylContact O-C 3.6Å; T710-Y715 VanDerWaalsContact O-CA 3.29Å; T710-Y715 WeakPolarHBondContact O-CA 3.33Å; T710-Y715 VanDerWaalsContact OG1-CA 3.28Å; T710-Y715 WeakPolarHBondContact OG1-CA 3.3Å; T710-Y716 PolarHBondContact OG1-N 3.24Å; T710-Y716 VanDerWaalsContact OG1-N 3.13Å; T710-R717 HydrophobicContact CG2-CB 3.95Å | ||
| 711 | E | 76.4 | Confident | 71.2 | Confident | 168 Ų | 168 | 78.4 Ų | 78.4 | 79% | 0.785 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -77.7 | -18.8 | 175.2 | -63.4 | -176.4 | 171.4 | 0 | 0 | 112.8 | Y715 A827 | E711-Y715 WeakPolarHBondContact O-CD1 3.29Å; E711-Y715 WeakPolarHBondContact O-CE1 3.31Å; E711-A827 HydrophobicContact CG-CB 4.48Å |
| 712 | V | 80.7 | Confident | 70.4 | Confident | 111 Ų | 111 | 81.3 Ų | 81.3 | 67% | 0.673 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -103.1 | 142 | -178.2 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | T710 Y715 | T710-V712 VanDerWaalsContact C-N 3.3Å; T710-V712 PolarHBondContact OG1-O 3.41Å; V712-Y715 VanDerWaalsContact O-CA 3.24Å; V712-Y715 WeakPolarHBondContact O-CA 3.33Å; V712-Y715 PolarHBondContact O-N 2.6Å |
| 713 | A | 79.5 | Confident | 69.2 | Low | 15 Ų | 15 | 85.2 Ų | 85.2 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 137.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y715 Y817 | A713-Y715 VanDerWaalsContact C-N 3.25Å; A713-Y715 HydrophobicContact CB-CD2 4.41Å; A713-Y715 HydrophobicContact CB-CE2 3.9Å; A713-Y817 HydrophobicContact CB-CD1 3.49Å; A713-Y817 VanDerWaalsContact CB-CD1 3.49Å; A713-Y817 HydrophobicContact CB-CE1 3.9Å; A713-Y817 HydrophobicContact CB-CG 4.36Å |
| 714 | P | 76.8 | Confident | 68.1 | Low | 12 Ų | 12 | 89.8 Ų | 89.8 | 8% | 0.078 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -81.1 | 20.6 | 7.2 | 35.4 | -37.3 | 0 | 0 | 0 | 114.5 | E616 Y658 M662 Y716 | E616-P714 HydrophobicContact CG-CB 4.36Å; E616-P714 HydrophobicContact CG-CG 3.98Å; Y658-P714 HydrophobicContact CE2-CB 4.37Å; M662-P714 WeakPolarHBondContact CE-O 3.2Å; P714-Y716 HydrophobicContact CB-CD1 4.32Å; P714-Y716 HydrophobicContact CB-CE1 3.96Å; P714-Y716 HydrophobicContact CG-CE1 4.32Å; P714-Y716 WeakPolarHBondContact O-CD1 3.27Å; P714-Y716 PolarHBondContact O-N 3.42Å |
| 715 | Y | 84.8 | Confident | 67 | Low | 24 Ų | 24 | 89.3 Ų | 89.3 | 9% | 0.094 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 67.4 | 8.3 | 178.4 | -47.5 | -78.8 | 0 | 0 | 0 | 115 | N620 M662 T710 E711 V712 A713 L820 S821 L824 | N620-Y715 WeakPolarHBondContact OD1-CE2 3.48Å; M662-Y715 HydrophobicContact CE-CD2 4.41Å; T710-Y715 PolarHBondContact N-O 3.34Å; T710-Y715 CarbonylContact O-C 3.6Å; T710-Y715 VanDerWaalsContact O-CA 3.29Å; T710-Y715 WeakPolarHBondContact O-CA 3.33Å; T710-Y715 VanDerWaalsContact OG1-CA 3.28Å; T710-Y715 WeakPolarHBondContact OG1-CA 3.3Å; E711-Y715 WeakPolarHBondContact O-CD1 3.29Å; E711-Y715 WeakPolarHBondContact O-CE1 3.31Å; V712-Y715 VanDerWaalsContact O-CA 3.24Å; V712-Y715 WeakPolarHBondContact O-CA 3.33Å; V712-Y715 PolarHBondContact O-N 2.6Å; A713-Y715 VanDerWaalsContact C-N 3.25Å; A713-Y715 HydrophobicContact CB-CD2 4.41Å; A713-Y715 HydrophobicContact CB-CE2 3.9Å; Y715-L820 HydrophobicContact CE2-CB 3.83Å; Y715-L820 HydrophobicContact CE2-CD2 4.3Å; Y715-L820 HydrophobicContact CE2-CG 4.39Å; Y715-S821 PolarHBondContact OH-N 3.16Å; Y715-L824 HydrophobicContact CD1-CD1 4.31Å; Y715-L824 HydrophobicContact CD2-CD1 3.56Å; Y715-L824 HydrophobicContact CE2-CD1 4.28Å; Y715-L824 HydrophobicContact CG-CD1 3.58Å |
| 716 | Y | 85.5 | Confident | 65.6 | Low | 27 Ų | 27 | 96.5 Ų | 96.5 | 11% | 0.106 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.3 | 170.1 | 66.7 | -94.4 | 0 | 0 | 0 | 110.7 | Y658 V661 M662 L665 L707 E708 T710 P714 W718 | Y658-Y716 HydrophobicContact CD2-CE1 4.07Å; Y658-Y716 WeakPolarHBondContact CD2-OH 3.41Å; Y658-Y716 HydrophobicContact CE2-CE1 4.18Å; V661-Y716 HydrophobicContact CB-CE1 4.3Å; V661-Y716 HydrophobicContact CG1-CD1 3.57Å; V661-Y716 HydrophobicContact CG1-CD2 4.1Å; V661-Y716 HydrophobicContact CG1-CE1 3.74Å; V661-Y716 HydrophobicContact CG1-CE2 4.26Å; V661-Y716 HydrophobicContact CG1-CG 3.76Å; M662-Y716 HydrophobicContact CE-CD1 3.87Å; M662-Y716 HydrophobicContact CE-CE1 3.73Å; L665-Y716 HydrophobicContact CD1-CD1 4.24Å; L707-Y716 HydrophobicContact CD1-CD2 3.51Å; L707-Y716 HydrophobicContact CD1-CE2 4.37Å; L707-Y716 HydrophobicContact CD1-CG 3.91Å; E708-Y716 CarbonylContact O-C 3.59Å; E708-Y716 WeakPolarHBondContact O-CA 3.41Å; T710-Y716 PolarHBondContact OG1-N 3.24Å; T710-Y716 VanDerWaalsContact OG1-N 3.13Å; P714-Y716 HydrophobicContact CB-CD1 4.32Å; P714-Y716 HydrophobicContact CB-CE1 3.96Å; P714-Y716 HydrophobicContact CG-CE1 4.32Å; P714-Y716 WeakPolarHBondContact O-CD1 3.27Å; P714-Y716 PolarHBondContact O-N 3.42Å; Y716-W718 HydrophobicContact CE2-CZ2 4.41Å; Y716-W718 AromaticContact CE2-NE1 3.67Å |
| 717 | R | 81.8 | Confident | 64.1 | Low | 173 Ų | 173 | 101 Ų | 101 | 65% | 0.653 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.4 | 174.7 | -167.3 | -178.4 | -152.1 | 177.1 | 6.3 | 110.1 | E708 T710 | E708-R717 PolarHBondContact N-O 3.43Å; E708-R717 PolarHBondContact O-N 3Å; T710-R717 HydrophobicContact CG2-CB 3.95Å |
| 718 | W | 76.6 | Confident | 62 | Low | 16 Ų | 16 | 104.1 Ų | 104.1 | 6% | 0.061 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.6 | 169.4 | -59.9 | 106.1 | 0 | 0 | 0 | 109.6 | F577 R657 V661 F703 N705 L707 Y716 | F577-W718 HydrophobicContact CD1-CB 3.76Å; F577-W718 HydrophobicContact CD1-CG 4.2Å; F577-W718 HydrophobicContact CD2-CB 4.03Å; F577-W718 AromaticContact CD2-CD1 3.45Å; F577-W718 VanDerWaalsContact CD2-CD1 3.45Å; F577-W718 AromaticContact CD2-CG 3.95Å; F577-W718 HydrophobicContact CD2-CG 3.95Å; F577-W718 HydrophobicContact CE1-CB 3.54Å; F577-W718 HydrophobicContact CE1-CG 4.39Å; F577-W718 HydrophobicContact CE2-CB 3.84Å; F577-W718 AromaticContact CE2-CD1 3.79Å; F577-W718 HydrophobicContact CE2-CG 4.17Å; F577-W718 HydrophobicContact CG-CB 4Å; F577-W718 AromaticContact CG-CD1 3.83Å; F577-W718 AromaticContact CG-CG 3.98Å; F577-W718 HydrophobicContact CG-CG 3.98Å; F577-W718 HydrophobicContact CZ-CB 3.59Å; F577-W718 HydrophobicContact CZ-CG 4.38Å; R657-W718 HydrophobicContact CG-CZ2 4.48Å; R657-W718 VanDerWaalsContact NH2-CE2 3.35Å; R657-W718 VanDerWaalsContact NH2-CZ2 3.34Å; V661-W718 HydrophobicContact CG2-CH2 3.92Å; V661-W718 HydrophobicContact CG2-CZ2 3.8Å; F703-W718 HydrophobicContact CB-CH2 4.11Å; F703-W718 HydrophobicContact CB-CZ3 3.66Å; F703-W718 AromaticContact CD1-CH2 3.52Å; F703-W718 HydrophobicContact CD1-CH2 3.52Å; F703-W718 HydrophobicContact CD1-CZ3 4.01Å; F703-W718 HydrophobicContact CD2-CH2 4.42Å; F703-W718 HydrophobicContact CD2-CZ3 4.47Å; F703-W718 HydrophobicContact CE1-CH2 4.03Å; F703-W718 AromaticContact CG-CH2 3.75Å; F703-W718 HydrophobicContact CG-CH2 3.75Å; F703-W718 AromaticContact CG-CZ3 3.79Å; F703-W718 HydrophobicContact CG-CZ3 3.79Å; N705-W718 HydrophobicContact CB-CB 4.47Å; N705-W718 HydrophobicContact CB-CE3 3.79Å; N705-W718 HydrophobicContact CB-CZ3 4.5Å; N705-W718 WeakPolarHBondContact O-CZ3 3.38Å; L707-W718 HydrophobicContact CB-CZ3 4.32Å; L707-W718 HydrophobicContact CD1-CD2 4.2Å; L707-W718 HydrophobicContact CD1-CE3 4Å; L707-W718 HydrophobicContact CD1-CH2 4.01Å; L707-W718 HydrophobicContact CD1-CZ2 4.21Å; L707-W718 HydrophobicContact CD1-CZ3 3.9Å; Y716-W718 HydrophobicContact CE2-CZ2 4.41Å; Y716-W718 AromaticContact CE2-NE1 3.67Å |
| 719 | V | 69.1 | Low | 59.6 | Low | 43 Ų | 43 | 108.1 Ų | 108.1 | 26% | 0.261 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 124.8 | 173 | -173 | 0 | 0 | 0 | 0 | 108.2 | P706 E708 | P706-V719 HydrophobicContact CB-CB 4.01Å; P706-V719 HydrophobicContact CB-CG2 4.15Å; P706-V719 HydrophobicContact CG-CB 4.09Å; P706-V719 PolarHBondContact O-N 3.44Å; E708-V719 HydrophobicContact CB-CG2 4.22Å; E708-V719 HydrophobicContact CG-CG2 3.46Å; E708-V719 VanDerWaalsContact CG-CG2 3.46Å; E708-V719 VanDerWaalsContact OE1-CG2 3.28Å; E708-V719 WeakPolarHBondContact OE1-CG2 3.28Å |
| 720 | R | 60.9 | Low | 57.1 | Low | 164 Ų | 164 | 112 Ų | 112 | 62% | 0.619 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 127.3 | 166.9 | -73.3 | -175 | -179 | 160.4 | -1 | 107.7 | F577 E722 | F577-R720 HydrophobicContact CE1-CG 3.66Å; F577-R720 HydrophobicContact CZ-CG 4.26Å; R720-E722 PolarHBondContact O-N 2.92Å; R720-E722 VanDerWaalsContact O-N 3.15Å |
| 721 | R | 48.1 | Very low | 54.8 | Low | 190 Ų | 190 | 113.5 Ų | 113.5 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | trans | -67.6 | 107.2 | 157.1 | -104.2 | -179.9 | 170 | 143.3 | -4.4 | 105.7 | D723 | R721-D723 PolarHBondContact O-N 3.32Å; R721-D723 VanDerWaalsContact O-N 3.17Å | ||
| 722 | E | 44.4 | Very low | 52.3 | Low | 161 Ų | 161 | 109.8 Ų | 109.8 | 75% | 0.752 | 59% | 0.587 | S | S | * | * | trans | -72.8 | 100.6 | 165.8 | -72.5 | 177.3 | 168.8 | 0 | 0 | 106.2 | R720 T724 | R720-E722 PolarHBondContact O-N 2.92Å; R720-E722 VanDerWaalsContact O-N 3.15Å; E722-T724 HydrophobicContact CB-CG2 4.37Å; E722-T724 PolarHBondContact O-N 2.87Å; E722-T724 PolarHBondContact O-OG1 3.48Å | ||
| 723 | D | 36.3 | Very low | 49.8 | Very low | 141 Ų | 141 | 111.8 Ų | 111.8 | 75% | 0.754 | 59% | 0.594 | S | S | * | * | trans | -63.2 | 90.2 | 162.1 | -67.2 | -28 | 0 | 0 | 0 | 105.7 | R721 D725 | R721-D723 PolarHBondContact O-N 3.32Å; R721-D723 VanDerWaalsContact O-N 3.17Å; D723-D725 PolarHBondContact O-N 3.48Å | ||
| 724 | T | 34.4 | Very low | 47.4 | Very low | 119 Ų | 119 | 116.7 Ų | 116.7 | 73% | 0.73 | 63% | 0.628 | S | S | * | * | trans | -77.1 | 83.5 | 178.7 | 24.7 | 0 | 0 | 0 | 0 | 106.9 | E722 E726 | E722-T724 HydrophobicContact CB-CG2 4.37Å; E722-T724 PolarHBondContact O-N 2.87Å; E722-T724 PolarHBondContact O-OG1 3.48Å; T724-E726 PolarHBondContact O-N 3Å | ||
| 725 | D | 34 | Very low | 44.9 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -57.2 | 115.8 | 165.4 | -82.4 | -30.4 | 0 | 0 | 0 | 108.7 | D723 L727 | D723-D725 PolarHBondContact O-N 3.48Å; D725-L727 PolarHBondContact O-N 3.18Å | ||
| 726 | E | 32 | Very low | 42.1 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 92% | 0.916 | 70% | 0.697 | S | S | * | * | trans | -59.9 | 90.2 | 175.5 | -66.2 | -178.7 | 155 | 0 | 0 | 110.8 | T724 | T724-E726 PolarHBondContact O-N 3Š| ||
| 727 | L | 32.2 | Very low | 39.2 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -150.7 | 84.3 | 167 | -99.7 | 139.2 | 0 | 0 | 0 | 109.9 | D725 | D725-L727 PolarHBondContact O-N 3.18Š| ||
| 728 | A | 30.4 | Very low | 36.4 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | 165 | 78.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T730 | A728-T730 PolarHBondContact O-N 3.03Š| ||
| 729 | E | 25.9 | Very low | 33.8 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -69.3 | 112.8 | 144.7 | -74.9 | -170 | 155.9 | 0 | 0 | 107.8 | ||||
| 730 | T | 28.4 | Very low | 31.8 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | 163.3 | 112.4 | 135.4 | 37.4 | 0 | 0 | 0 | 0 | 110 | A728 | A728-T730 PolarHBondContact O-N 3.03Š| ||
| 731 | G | 31.9 | Very low | 30 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 151.7 | 70 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 732 | A | 25.2 | Very low | 28.7 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -62.6 | 128.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 733 | D | 28.2 | Very low | 27.6 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | 154.4 | 140.6 | 120.4 | -81.5 | -21.2 | 0 | 0 | 0 | 113.5 | |||||
| 734 | S | 29.4 | Very low | 27 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 92.3 | 95.8 | 163.3 | 72.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 735 | F | 23.2 | Very low | 26.4 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -42.2 | 135 | 143.1 | -95.6 | -110.8 | 0 | 0 | 0 | 113.5 | ||||
| 736 | D | 25.3 | Very low | 25.9 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | 159.9 | 141.9 | 104.5 | -98.1 | -28.2 | 0 | 0 | 0 | 114.1 | |||||
| 737 | A | 26.2 | Very low | 25.6 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 74 | 96 | 149.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 738 | A | 22.9 | Very low | 25.1 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | 41.1 | 117.9 | 109.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 739 | V | 22.3 | Very low | 24.9 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | 61.5 | 108.7 | 134.8 | -165.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 740 | H | 26.3 | Very low | 24.7 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | 169.9 | 120.2 | 117 | -92.6 | -65 | 0 | 0 | 0 | 112.9 | |||||
| 741 | S | 22.3 | Very low | 24.7 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | 40.3 | 124.2 | 135.7 | 63 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 742 | A | 21.5 | Very low | 24.2 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | 81.3 | 123.8 | 128.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 743 | Q | 21.1 | Very low | 24.1 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 66.9 | 108.4 | 145.3 | -63.8 | 175.2 | 4.7 | 0 | 0 | 117.9 | ||||
| 744 | N | 24.5 | Very low | 24 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | -172.4 | 142.4 | 103.8 | -103 | -28.5 | 0 | 0 | 0 | 113.2 | |||||
| 745 | A | 21.6 | Very low | 23.8 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -66 | 157.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 746 | G | 23 | Very low | 24 | Very low | 63 Ų | 63 | 129.6 Ų | 129.6 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | trans | 108.7 | 97.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 747 | N | 25.9 | Very low | 24 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | 174.5 | 128.9 | 96.9 | -94.4 | -17.1 | 0 | 0 | 0 | 111 | T749 | N747-T749 PolarHBondContact O-N 3.45Š| |||
| 748 | E | 21.9 | Very low | 24 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -51 | 126.8 | 158.9 | -58.6 | 173 | 150.9 | 0 | 0 | 110.4 | ||||
| 749 | T | 25.8 | Very low | 24 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -147.4 | 108.9 | 141.5 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | N747 | N747-T749 PolarHBondContact O-N 3.45Š| ||
| 750 | S | 22.4 | Very low | 24.2 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -40 | 123.8 | 160.6 | 31.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 751 | A | 27.6 | Very low | 24.2 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -130.5 | 90.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 752 | E | 22 | Very low | 24.4 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -66.3 | 152.6 | 166.7 | -70.8 | 177.3 | 148.6 | 0 | 0 | 110.7 | ||||
| 753 | S | 23.5 | Very low | 24.6 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | 84.9 | 100.7 | 154.1 | 75.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 754 | S | 26.3 | Very low | 24.9 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | -165.1 | 95.6 | 112 | 58.5 | 0 | 0 | 0 | 0 | 109.7 | A756 | S754-A756 PolarHBondContact O-N 3.36Š| |||
| 755 | F | 24.1 | Very low | 24.9 | Very low | 211 Ų | 211 | 140.3 Ų | 140.3 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 120.8 | 163.4 | -92.3 | -105.3 | 0 | 0 | 0 | 109.5 | ||
| 756 | A | 27.5 | Very low | 25.1 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 124.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S754 E758 | S754-A756 PolarHBondContact O-N 3.36Å; A756-E758 PolarHBondContact O-N 3Å |
| 757 | E | 26.3 | Very low | 25.3 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125.2 | -172.2 | -66 | 175.6 | 143 | 0 | 0 | 111.7 | E759 | E757-E759 PolarHBondContact O-N 2.93Š|
| 758 | E | 24.7 | Very low | 25.3 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 121.5 | 166.6 | -79.8 | 177.9 | 136.9 | 0 | 0 | 110.1 | A756 | A756-E758 PolarHBondContact O-N 3Š|
| 759 | E | 23.1 | Very low | 25.5 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79 | 129.3 | 172.7 | -150.9 | 172.1 | -165 | 0 | 0 | 110.1 | E757 V761 | E757-E759 PolarHBondContact O-N 2.93Å; E759-V761 PolarHBondContact O-N 3.45Å |
| 760 | A | 26 | Very low | 25.6 | Very low | 94 Ų | 94 | 135 Ų | 135 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | -67.6 | 109.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L762 | A760-L762 PolarHBondContact O-N 3.18Š| ||
| 761 | V | 27 | Very low | 25.9 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -76.2 | 115.8 | 165.3 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | E759 | E759-V761 PolarHBondContact O-N 3.45Š| ||
| 762 | L | 26.9 | Very low | 25.8 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -58.7 | 126.5 | 179.5 | -81.3 | 137.9 | 0 | 0 | 0 | 113.3 | A760 | A760-L762 PolarHBondContact O-N 3.18Š| ||
| 763 | D | 25.6 | Very low | 26 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -53.3 | 125.9 | 170.4 | -87.3 | -42 | 0 | 0 | 0 | 113.9 | A765 | D763-A765 PolarHBondContact O-N 3.37Š| ||
| 764 | P | 27.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -88.9 | 77.7 | 156.6 | 34.2 | -26.2 | 0 | 0 | 0 | 108.8 | G766 | P764-G766 PolarHBondContact O-N 3.16Š| ||
| 765 | A | 24.6 | Very low | 26.1 | Very low | 101 Ų | 101 | 143 Ų | 143 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -68.1 | 107.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D763 | D763-A765 PolarHBondContact O-N 3.37Š| ||
| 766 | G | 24.9 | Very low | 26.2 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 172.9 | 47.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P764 | P764-G766 PolarHBondContact O-N 3.16Š| ||
| 767 | S | 27.3 | Very low | 26.2 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -129.8 | 124.2 | 169 | -170 | 0 | 0 | 0 | 0 | 111.5 | T769 | S767-T769 PolarHBondContact O-N 3.05Š| ||
| 768 | V | 26.3 | Very low | 26.3 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -74.3 | 95.2 | -171.3 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 769 | T | 26.4 | Very low | 26.5 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -108.6 | 16.8 | 175 | 41.1 | 0 | 0 | 0 | 0 | 114 | S767 | S767-T769 PolarHBondContact O-N 3.05Š| ||
| 770 | S | 28.1 | Very low | 26.7 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -102.1 | 24.2 | -172.5 | 61.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 771 | L | 27.4 | Very low | 26.8 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -138.2 | 37.2 | -179.1 | -87.2 | 176.7 | 0 | 0 | 0 | 116.9 | ||
| 772 | L | 25.9 | Very low | 26.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -139 | 32.7 | 167.2 | -72.6 | 177.1 | 0 | 0 | 0 | 115.1 | L774 | L772-L774 VanDerWaalsContact C-N 3.35Å; L772-L774 PolarHBondContact O-N 3.28Å | ||
| 773 | T | 26.2 | Very low | 26.8 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -90 | 71.7 | 161.3 | 51.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 774 | L | 25.6 | Very low | 26.6 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -100.7 | 115 | 159.6 | -78.1 | 175.2 | 0 | 0 | 0 | 108.4 | L772 A776 | L772-L774 VanDerWaalsContact C-N 3.35Å; L772-L774 PolarHBondContact O-N 3.28Å; L774-A776 PolarHBondContact O-N 3.08Å | ||
| 775 | K | 25.8 | Very low | 26.5 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -54.1 | 113.5 | -175.7 | -64 | 175.5 | 170.2 | -167.9 | 0 | 111.3 | E777 | K775-E777 HydrophobicContact CB-CG 4.46Å; K775-E777 IonicContact NZ-OE1 2.74Å; K775-E777 PolarHBondContact O-N 3.16Å | ||
| 776 | A | 27.8 | Very low | 26.4 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 68.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | L774 D778 | L774-A776 PolarHBondContact O-N 3.08Å; A776-D778 PolarHBondContact O-N 3.33Å | ||
| 777 | E | 27.8 | Very low | 26.5 | Very low | 141 Ų | 141 | 146 Ų | 146 | 66% | 0.659 | 80% | 0.802 | S | S | * | * | trans | -81.7 | 100.3 | 156.1 | -77.3 | 175.8 | -158.9 | 0 | 0 | 105.1 | K775 | K775-E777 HydrophobicContact CB-CG 4.46Å; K775-E777 IonicContact NZ-OE1 2.74Å; K775-E777 PolarHBondContact O-N 3.16Å | ||
| 778 | D | 27.1 | Very low | 26.4 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 161.4 | 68.7 | 152.5 | -79.9 | -19 | 0 | 0 | 0 | 110.2 | A776 | A776-D778 PolarHBondContact O-N 3.33Š| ||
| 779 | F | 29 | Very low | 26.3 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | trans | -117.2 | 122.4 | 153.4 | -91 | -80.5 | 0 | 0 | 0 | 108.8 | ||||
| 780 | S | 26.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -55.1 | 130.9 | -168.2 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | D782 | S780-D782 PolarHBondContact O-N 3Š| ||
| 781 | K | 29.1 | Very low | 26.5 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -59.4 | 108 | 162.6 | -67.1 | 169.1 | 177.5 | 171.9 | 0 | 109 | ||||
| 782 | D | 27.7 | Very low | 26.5 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -167.1 | 76.2 | 152.4 | -88.3 | -26.8 | 0 | 0 | 0 | 109 | S780 | S780-D782 PolarHBondContact O-N 3Š| ||
| 783 | C | 25.5 | Very low | 26.8 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | -176 | 74.5 | 154.9 | -96.3 | 0 | 0 | 0 | 0 | 108.2 | F785 | C783-F785 PolarHBondContact O-N 3.28Å; C783-F785 VanDerWaalsContact O-N 3.15Å | ||
| 784 | T | 22.7 | Very low | 27 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -72.6 | 96.9 | 169.2 | 33.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 785 | F | 24.7 | Very low | 27.3 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -105 | 95.7 | 158.7 | -156.6 | -106.2 | 0 | 0 | 0 | 107.9 | C783 V787 | C783-F785 PolarHBondContact O-N 3.28Å; C783-F785 VanDerWaalsContact O-N 3.15Å; F785-V787 HydrophobicContact CD1-CG2 3.58Å; F785-V787 HydrophobicContact CE1-CG2 3.31Å; F785-V787 HydrophobicContact CZ-CG2 4.28Å; F785-V787 PolarHBondContact O-N 2.98Å | ||
| 786 | Q | 21.8 | Very low | 27.7 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -82.5 | 99.8 | 175.4 | -73.7 | -177.9 | 3.1 | 0 | 0 | 108.9 | ||||
| 787 | V | 27.3 | Very low | 27.9 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 66% | 0.655 | 81% | 0.813 | S | S | * | * | trans | -107.6 | 120.9 | 160.7 | 177 | 0 | 0 | 0 | 0 | 107.7 | F785 A789 | F785-V787 HydrophobicContact CD1-CG2 3.58Å; F785-V787 HydrophobicContact CE1-CG2 3.31Å; F785-V787 HydrophobicContact CZ-CG2 4.28Å; F785-V787 PolarHBondContact O-N 2.98Å; V787-A789 PolarHBondContact O-N 3.47Å | ||
| 788 | A | 26.2 | Very low | 28.1 | Very low | 92 Ų | 92 | 156.9 Ų | 156.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -53 | 121.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P790 | A788-P790 WeakPolarHBondContact O-CD 3.02Š|
| 789 | A | 23.8 | Very low | 28.3 | Very low | 90 Ų | 90 | 153.4 Ų | 153.4 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 122.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V787 | V787-A789 PolarHBondContact O-N 3.47Š|
| 790 | P | 28.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 148.1 | 164.2 | 5.9 | 11.4 | 0 | 0 | 0 | 109.7 | A788 R792 | A788-P790 WeakPolarHBondContact O-CD 3.02Å; P790-R792 PolarHBondContact O-N 3.34Å |
| 791 | N | 29.1 | Very low | 28.6 | Very low | 166 Ų | 166 | 156 Ų | 156 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -42.6 | 124.7 | -166.9 | -76 | -35.9 | 0 | 0 | 0 | 115.8 | H793 | N791-H793 PolarHBondContact O-N 3.44Š| ||
| 792 | R | 28.3 | Very low | 28.7 | Very low | 231 Ų | 231 | 151.9 Ų | 151.9 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -66.2 | 105.8 | 165.7 | -66.9 | 175.8 | 174.9 | 179.1 | -2.8 | 108.8 | P790 | P790-R792 PolarHBondContact O-N 3.34Š| ||
| 793 | H | 30.9 | Very low | 29.3 | Very low | 188 Ų | 188 | 149 Ų | 149 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -157.2 | -3.9 | 146 | -99.5 | -46.4 | 0 | 0 | 0 | 118 | N791 | N791-H793 PolarHBondContact O-N 3.44Š| ||
| 794 | D | 31.4 | Very low | 30.5 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -106.6 | 15.5 | -175.9 | -99.2 | -9.3 | 0 | 0 | 0 | 117 | V796 | D794-V796 PolarHBondContact O-N 3.35Š|
| 795 | R | 32.4 | Very low | 32.1 | Very low | 236 Ų | 236 | 143.5 Ų | 143.5 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -1.7 | -173.3 | -83.4 | -169.9 | 178.7 | -178.5 | -1.1 | 117.1 | ||
| 796 | V | 33.4 | Very low | 33.6 | Very low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -23.3 | -176.5 | -175.8 | 0 | 0 | 0 | 0 | 113.1 | D794 | D794-V796 PolarHBondContact O-N 3.35Š|
| 797 | H | 31.8 | Very low | 35.6 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.787 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -15.6 | -176.5 | -76.2 | -63.3 | 0 | 0 | 0 | 116 | ||
| 798 | K | 31.7 | Very low | 37.5 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 67% | 0.674 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -100.3 | -3.5 | -179.3 | -74.5 | -171.5 | 175.1 | -175.4 | 0 | 116.1 | K800 | K798-K800 VanDerWaalsContact C-N 3.28Å; K798-K800 PolarHBondContact O-N 2.97Å |
| 799 | A | 32.3 | Very low | 39.6 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 800 | K | 31.5 | Very low | 42.3 | Very low | 208 Ų | 208 | 129.4 Ų | 129.4 | 90% | 0.904 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -12.2 | -179.9 | -92.3 | -172.3 | 172.2 | -170.9 | 0 | 115.2 | K798 | K798-K800 VanDerWaalsContact C-N 3.28Å; K798-K800 PolarHBondContact O-N 2.97Å |
| 801 | E | 30.1 | Very low | 44.6 | Very low | 160 Ų | 160 | 125 Ų | 125 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -104 | -2.4 | -174.6 | -83.6 | -178.8 | 162.2 | 0 | 0 | 115.2 | ||
| 802 | F | 31.3 | Very low | 46.4 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | trans | -128.1 | 86.1 | 179 | -62.1 | -82.9 | 0 | 0 | 0 | 109.4 | F806 | F802-F806 HydrophobicContact CD1-CZ 4.45Å; F802-F806 HydrophobicContact CE1-CE1 4.47Å | ||
| 803 | S | 41.3 | Very low | 48.4 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | trans | -106.4 | 5 | 163.1 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | E607 | E607-S803 WeakPolarHBondContact OE1-CA 3.34Å; E607-S803 VanDerWaalsContact OE2-C 3.26Å | ||
| 804 | N | 49.5 | Very low | 50.4 | Low | 123 Ų | 123 | 113.2 Ų | 113.2 | 66% | 0.658 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -117.4 | 124.6 | -177 | -76.7 | -9.2 | 0 | 0 | 0 | 108.4 | E607 | E607-N804 PolarHBondContact OE2-N 2.91Š|
| 805 | P | 55.7 | Low | 52.9 | Low | 27 Ų | 27 | 107 Ų | 107 | 18% | 0.175 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 150.2 | 177.7 | 22.7 | -35.3 | 0 | 0 | 0 | 111.9 | I574 E607 G608 Q807 | I574-P805 HydrophobicContact CD1-CB 4.33Å; I574-P805 HydrophobicContact CD1-CG 3.27Å; I574-P805 HydrophobicContact CG1-CG 3.79Å; E607-P805 HydrophobicContact CB-CB 4.45Å; G608-P805 CarbonylContact O-C 3.12Å; G608-P805 WeakPolarHBondContact O-CA 3.27Å; G608-P805 WeakPolarHBondContact O-CB 3.41Å; P805-Q807 PolarHBondContact O-N 3.47Å |
| 806 | F | 57.3 | Low | 55.5 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 134.1 | 179.9 | -74 | -83.9 | 0 | 0 | 0 | 109.9 | G608 W609 G610 F802 L808 | G608-F806 PolarHBondContact O-N 3.45Å; W609-F806 CarbonylContact C-O 3.56Å; W609-F806 WeakPolarHBondContact CA-O 3.3Å; W609-F806 HydrophobicContact CD2-CB 3.95Å; W609-F806 HydrophobicContact CE3-CB 4.43Å; W609-F806 HydrophobicContact CG-CB 4.01Å; G610-F806 PolarHBondContact N-O 3.48Å; F802-F806 HydrophobicContact CD1-CZ 4.45Å; F802-F806 HydrophobicContact CE1-CE1 4.47Å; F806-L808 PolarHBondContact O-N 2.91Å |
| 807 | Q | 62.7 | Low | 58.3 | Low | 163 Ų | 163 | 95.2 Ų | 95.2 | 76% | 0.762 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 120 | -178.6 | -74 | -175.7 | -4.3 | 0 | 0 | 110.9 | P805 | P805-Q807 PolarHBondContact O-N 3.47Š|
| 808 | L | 68 | Low | 61.1 | Low | 5 Ų | 5 | 87.1 Ų | 87.1 | 3% | 0.026 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -63 | 128.7 | 165.1 | -82.8 | 161 | 0 | 0 | 0 | 108.9 | M539 V571 W609 F806 M810 | M539-L808 HydrophobicContact CG-CB 3.72Å; M539-L808 HydrophobicContact CG-CD1 3.77Å; M539-L808 HydrophobicContact CG-CD2 4.17Å; M539-L808 HydrophobicContact CG-CG 4.04Å; M539-L808 HydrophobicContact SD-CD1 3.89Å; V571-L808 HydrophobicContact CG2-CD1 4.35Å; W609-L808 HydrophobicContact CB-CD1 4.11Å; W609-L808 HydrophobicContact CB-CD2 3.63Å; W609-L808 HydrophobicContact CB-CG 3.45Å; W609-L808 VanDerWaalsContact CB-CG 3.45Å; W609-L808 HydrophobicContact CE3-CD2 4.18Å; W609-L808 HydrophobicContact CG-CD2 4.41Å; W609-L808 WeakPolarHBondContact O-CD1 3.27Å; F806-L808 PolarHBondContact O-N 2.91Å; L808-M810 PolarHBondContact O-N 3.37Å; L808-M810 VanDerWaalsContact O-N 3.08Å |
| 809 | P | 70.1 | Confident | 63.8 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 40% | 0.403 | 43% | 0.431 | S | S | . | . | trans | -63.8 | 115.8 | 171.7 | 26.4 | -31.7 | 0 | 0 | 0 | 108.6 | E536 | E536-P809 HydrophobicContact CB-CG 4.19Å; E536-P809 WeakPolarHBondContact O-CG 3.02Å | ||
| 810 | M | 80.1 | Confident | 66.4 | Low | 42 Ų | 42 | 77.4 Ų | 77.4 | 21% | 0.207 | 40% | 0.398 | C | S | . | . | trans | -71.7 | 146 | 172.4 | -74.1 | -60.8 | -66.5 | 0 | 0 | 109.6 | M539 Q613 A614 M617 L808 G814 | M539-M810 HydrophobicContact CE-CE 4.43Å; M539-M810 HydrophobicContact CE-SD 3.93Å; M539-M810 HydrophobicContact CG-SD 4.44Å; Q613-M810 HydrophobicContact CG-CE 4.01Å; A614-M810 HydrophobicContact CB-SD 3.67Å; M617-M810 HydrophobicContact SD-CE 4.1Å; L808-M810 PolarHBondContact O-N 3.37Å; L808-M810 VanDerWaalsContact O-N 3.08Å; M810-G814 WeakPolarHBondContact CE-O 3.19Å | ||
| 811 | P | 78.5 | Confident | 68.9 | Low | 29 Ų | 29 | 70.4 Ų | 70.4 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | trans | -54.3 | 149.4 | 170.3 | -22.7 | 33.4 | 0 | 0 | 0 | 110.9 | P540 Y813 G814 | P540-P811 HydrophobicContact CG-CG 4.34Å; P811-Y813 PolarHBondContact O-N 2.79Å; P811-G814 PolarHBondContact O-N 3.06Å | ||
| 812 | A | 66.5 | Low | 71.6 | Confident | 98 Ų | 98 | 69 Ų | 69 | 81% | 0.81 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -21.1 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 813 | Y | 69.6 | Low | 74.2 | Confident | 228 Ų | 228 | 66 Ų | 66 | 89% | 0.894 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 23.4 | 178.5 | -58 | -74.6 | 0 | 0 | 0 | 113.3 | P811 G815 | P811-Y813 PolarHBondContact O-N 2.79Å; Y813-G815 PolarHBondContact O-N 3.48Å |
| 814 | G | 73.6 | Confident | 76.2 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | trans | 79.5 | -5.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | M810 P811 | M810-G814 WeakPolarHBondContact CE-O 3.19Å; P811-G814 PolarHBondContact O-N 3.06Å | ||
| 815 | G | 83.9 | Confident | 77.6 | Confident | 19 Ų | 19 | 59 Ų | 59 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | trans | 81.5 | 171.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S543 Y813 | S543-G815 WeakPolarHBondContact OG-CA 3.16Å; Y813-G815 PolarHBondContact O-N 3.48Å | ||
| 816 | H | 87.6 | Confident | 78.4 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -84 | 124.1 | -175.3 | -176.7 | 62.6 | 0 | 0 | 0 | 111.1 | S543 L547 Q550 N621 | S543-H816 PolarHBondContact OG-N 3.35Å; L547-H816 VanDerWaalsContact CA-CD2 3.48Å; L547-H816 WeakPolarHBondContact CA-CD2 3.28Å; L547-H816 HydrophobicContact CB-CB 4.34Å; Q550-H816 PolarHBondContact NE2-NE2 2.94Å; N621-H816 PolarHBondContact ND2-O 3.39Å; N621-H816 PolarHBondContact OD1-O 3.37Å |
| 817 | Y | 90.4 | Very high | 79.1 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -101.3 | 119.3 | 172.5 | -73.1 | -102.8 | 0 | 0 | 0 | 109.4 | Q613 M617 N620 N621 A713 | Q613-Y817 PolarHBondContact O-OH 2.7Å; M617-Y817 HydrophobicContact CB-CD1 4.43Å; M617-Y817 HydrophobicContact CB-CE1 3.82Å; M617-Y817 HydrophobicContact CB-CE2 4.28Å; M617-Y817 HydrophobicContact CG-CD1 4.33Å; M617-Y817 HydrophobicContact CG-CD2 4.3Å; M617-Y817 HydrophobicContact CG-CE1 4.15Å; M617-Y817 HydrophobicContact CG-CE2 4.09Å; M617-Y817 HydrophobicContact CG-CG 4.42Å; M617-Y817 HydrophobicContact SD-CE2 4.45Å; N620-Y817 HydrophobicContact CB-CD1 4.31Å; N621-Y817 WeakPolarHBondContact OD1-CA 3.28Å; A713-Y817 HydrophobicContact CB-CD1 3.49Å; A713-Y817 VanDerWaalsContact CB-CD1 3.49Å; A713-Y817 HydrophobicContact CB-CE1 3.9Å; A713-Y817 HydrophobicContact CB-CG 4.36Å |
| 818 | C | 90.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.3 | 173.5 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | Q550 N620 N621 Y624 L820 | Q550-C818 PolarHBondContact NE2-SG 3.1Å; N620-C818 PolarHBondContact ND2-N 3.22Å; N620-C818 PolarHBondContact ND2-O 3.37Å; N621-C818 PolarHBondContact OD1-N 2.93Å; Y624-C818 HydrophobicContact CD1-CB 3.39Å; Y624-C818 HydrophobicContact CD2-CB 4.04Å; Y624-C818 HydrophobicContact CE1-CB 3.95Å; Y624-C818 HydrophobicContact CG-CB 3.43Å; Y624-C818 VanDerWaalsContact CG-CB 3.43Å; C818-L820 VanDerWaalsContact C-N 3.27Å; C818-L820 PolarHBondContact O-N 2.99Å |
| 819 | P | 88.1 | Confident | 79.2 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | trans | -77.8 | 68.1 | -172.4 | 32.3 | -36.1 | 0 | 0 | 0 | 112.6 | Y624 S821 E822 | Y624-P819 HydrophobicContact CE2-CG 3.75Å; Y624-P819 WeakPolarHBondContact CE2-O 3.24Å; P819-S821 PolarHBondContact O-N 3.37Å; P819-E822 HydrophobicContact CB-CG 4.38Å; P819-E822 PolarHBondContact O-N 3.34Å | ||
| 820 | L | 87.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -66.5 | -19.1 | 176.1 | -175.6 | 68.8 | 0 | 0 | 0 | 112.9 | N620 L623 Y624 M662 Y715 C818 E822 F823 | N620-L820 VanDerWaalsContact OD1-CB 3.28Å; N620-L820 WeakPolarHBondContact OD1-CB 3.49Å; N620-L820 WeakPolarHBondContact OD1-CD2 3.37Å; L623-L820 HydrophobicContact CB-CD2 4.5Å; L623-L820 HydrophobicContact CD2-CD1 4.38Å; L623-L820 HydrophobicContact CD2-CD2 3.92Å; L623-L820 HydrophobicContact CG-CD1 4.21Å; L623-L820 HydrophobicContact CG-CD2 4.39Å; Y624-L820 HydrophobicContact CD2-CB 4.49Å; M662-L820 HydrophobicContact CE-CD2 4.33Å; M662-L820 HydrophobicContact SD-CD2 4.31Å; Y715-L820 HydrophobicContact CE2-CB 3.83Å; Y715-L820 HydrophobicContact CE2-CD2 4.3Å; Y715-L820 HydrophobicContact CE2-CG 4.39Å; C818-L820 VanDerWaalsContact C-N 3.27Å; C818-L820 PolarHBondContact O-N 2.99Å; L820-E822 PolarHBondContact O-N 3.07Å; L820-E822 VanDerWaalsContact O-N 3.12Å; L820-F823 HydrophobicContact CD1-CD2 4.09Å; L820-F823 PolarHBondContact O-N 3.28Å |
| 821 | S | 85.2 | Confident | 77.5 | Confident | 61 Ų | 61 | 70 Ų | 70 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -54.3 | -27.2 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | Y715 P819 F823 L824 | Y715-S821 PolarHBondContact OH-N 3.16Å; P819-S821 PolarHBondContact O-N 3.37Å; S821-F823 PolarHBondContact O-N 2.64Å; S821-L824 PolarHBondContact O-N 2.84Å |
| 822 | E | 85.6 | Confident | 76.6 | Confident | 132 Ų | 132 | 73.6 Ų | 73.6 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -63.5 | -19.8 | 176.8 | -64.8 | 178 | 177.3 | 0 | 0 | 113.2 | P819 L820 | P819-E822 HydrophobicContact CB-CG 4.38Å; P819-E822 PolarHBondContact O-N 3.34Å; L820-E822 PolarHBondContact O-N 3.07Å; L820-E822 VanDerWaalsContact O-N 3.12Å |
| 823 | F | 85.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 21% | 0.211 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -104.6 | -3.7 | -179.3 | -60.3 | -73.9 | 0 | 0 | 0 | 113.9 | Y624 V627 Q628 T669 L670 L820 S821 | Y624-F823 HydrophobicContact CD2-CD2 4.34Å; Y624-F823 AromaticContact CD2-CE2 3.83Å; Y624-F823 HydrophobicContact CD2-CE2 3.83Å; Y624-F823 AromaticContact CE2-CE2 3.8Å; Y624-F823 HydrophobicContact CE2-CE2 3.8Å; V627-F823 HydrophobicContact CB-CE2 4.42Å; V627-F823 HydrophobicContact CB-CZ 4.4Å; V627-F823 HydrophobicContact CG1-CD1 3.78Å; V627-F823 HydrophobicContact CG1-CD2 4.19Å; V627-F823 HydrophobicContact CG1-CE1 3.45Å; V627-F823 VanDerWaalsContact CG1-CE1 3.45Å; V627-F823 HydrophobicContact CG1-CE2 3.87Å; V627-F823 HydrophobicContact CG1-CG 4.12Å; V627-F823 HydrophobicContact CG1-CZ 3.47Å; V627-F823 VanDerWaalsContact CG1-CZ 3.47Å; Q628-F823 HydrophobicContact CG-CE2 4.28Å; Q628-F823 HydrophobicContact CG-CZ 4.11Å; Q628-F823 VanDerWaalsContact NE2-CZ 3.31Å; T669-F823 PolarHBondContact OG1-O 3.13Å; T669-F823 VanDerWaalsContact OG1-O 3.1Å; L670-F823 HydrophobicContact CD2-CB 4.23Å; L820-F823 HydrophobicContact CD1-CD2 4.09Å; L820-F823 PolarHBondContact O-N 3.28Å; S821-F823 PolarHBondContact O-N 2.64Å |
| 824 | L | 84.7 | Confident | 76.5 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 14% | 0.141 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -104.3 | 143.7 | -178.3 | -65.9 | 172.5 | 0 | 0 | 0 | 109.9 | M662 L665 A666 L670 Y715 S821 | M662-L824 HydrophobicContact SD-CD2 4.24Å; L665-L824 HydrophobicContact CB-CD2 4.17Å; A666-L824 HydrophobicContact CB-CD2 3.88Å; L670-L824 HydrophobicContact CD1-CD2 3.65Å; Y715-L824 HydrophobicContact CD1-CD1 4.31Å; Y715-L824 HydrophobicContact CD2-CD1 3.56Å; Y715-L824 HydrophobicContact CE2-CD1 4.28Å; Y715-L824 HydrophobicContact CG-CD1 3.58Å; S821-L824 PolarHBondContact O-N 2.84Å |
| 825 | P | 78.9 | Confident | 76.5 | Confident | 41 Ų | 41 | 63 Ų | 63 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | trans | -62.8 | 155.1 | 170.9 | 23.4 | -29.5 | 0 | 0 | 0 | 111.3 | L665 | L665-P825 WeakPolarHBondContact O-CD 3.27Å; L665-P825 WeakPolarHBondContact O-CG 3.48Å | ||
| 826 | S | 73.1 | Confident | 76.3 | Confident | 67 Ų | 67 | 64 Ų | 64 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | trans | -56.1 | 143.2 | 178.3 | 51 | 0 | 0 | 0 | 0 | 111.4 | D828 Q829 | S826-D828 PolarHBondContact O-N 3.18Å; S826-Q829 PolarHBondContact O-N 2.81Å | ||
| 827 | A | 70.7 | Confident | 75.9 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E711 Q829 | E711-A827 HydrophobicContact CG-CB 4.48Å; A827-Q829 VanDerWaalsContact C-N 3.33Å; A827-Q829 PolarHBondContact O-N 2.9Å |
| 828 | D | 67.9 | Low | 75.7 | Confident | 147 Ų | 147 | 60 Ų | 60 | 79% | 0.786 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.3 | 178.4 | -58.3 | -32.6 | 0 | 0 | 0 | 114.3 | S826 F830 | S826-D828 PolarHBondContact O-N 3.18Å; D828-F830 PolarHBondContact O-N 2.93Å |
| 829 | Q | 64.6 | Low | 75.5 | Confident | 113 Ų | 113 | 60.3 Ų | 60.3 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -79 | 121.4 | 177.2 | -84.9 | -180 | -10.6 | 0 | 0 | 110.6 | R709 S826 A827 V831 | R709-Q829 PolarHBondContact NH1-O 2.74Å; S826-Q829 PolarHBondContact O-N 2.81Å; A827-Q829 VanDerWaalsContact C-N 3.33Å; A827-Q829 PolarHBondContact O-N 2.9Å; Q829-V831 PolarHBondContact O-N 3.47Å |
| 830 | F | 55.1 | Low | 75.5 | Confident | 208 Ų | 208 | 58.7 Ų | 58.7 | 91% | 0.912 | 31% | 0.31 | S | S | * | . | trans | -59.8 | 126 | 170.7 | -78.4 | -82.7 | 0 | 0 | 0 | 110.1 | D828 | D828-F830 PolarHBondContact O-N 2.93Š| ||
| 831 | V | 59.7 | Low | 75.5 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 28% | 0.279 | 31% | 0.31 | S | S | . | . | trans | -120 | 118.4 | 173.7 | 167.8 | 0 | 0 | 0 | 0 | 109.6 | V664 R709 Q829 L833 | V664-V831 HydrophobicContact CG1-CG1 4.46Å; V664-V831 VanDerWaalsContact O-CG1 3.24Å; V664-V831 WeakPolarHBondContact O-CG1 3.44Å; R709-V831 VanDerWaalsContact CZ-CB 3.48Å; R709-V831 VanDerWaalsContact NH1-CG2 3.28Å; Q829-V831 PolarHBondContact O-N 3.47Å; V831-L833 PolarHBondContact O-N 3.47Å | ||
| 832 | I | 59 | Low | 75.7 | Confident | 105 Ų | 105 | 56 Ų | 56 | 54% | 0.538 | 29% | 0.291 | S | S | . | . | trans | -77.5 | 112 | -178 | -48.5 | 170.3 | 0 | 0 | 0 | 107.3 | R875 I1546 | I832-R875 PolarHBondContact O-NH1 2.99Å; I832-R875 PolarHBondContact O-NH2 3.35Å; I832-I1546 HydrophobicContact CG2-CD1 4.41Å | ||
| 833 | L | 65.3 | Low | 75.9 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 146.4 | -176.6 | -61.1 | 169.8 | 0 | 0 | 0 | 111.9 | V664 I702 L707 V831 | V664-L833 HydrophobicContact CG1-CB 4.41Å; V664-L833 HydrophobicContact CG1-CD2 3.55Å; I702-L833 HydrophobicContact CG2-CB 3.5Å; I702-L833 HydrophobicContact CG2-CD1 3.81Å; I702-L833 HydrophobicContact CG2-CG 4.26Å; L707-L833 HydrophobicContact CD2-CD2 4.22Å; V831-L833 PolarHBondContact O-N 3.47Å |
| 834 | C | 69.7 | Low | 76.1 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 9% | 0.088 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 149.5 | 169.9 | -75.5 | 0 | 0 | 0 | 0 | 110.4 | V664 I839 R875 | V664-C834 HydrophobicContact CG2-CB 4.34Å; C834-I839 HydrophobicContact CB-CG1 4.33Å; C834-R875 PolarHBondContact SG-NH1 3.19Å |
| 835 | H | 74.5 | Confident | 76.3 | Confident | 39 Ų | 39 | 46.2 Ų | 46.2 | 18% | 0.181 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 148 | 170.4 | -68 | -85 | 0 | 0 | 0 | 112 | V700 I702 C837 H838 I839 | V700-H835 PolarHBondContact O-CE1 3.04Å; V700-H835 PolarHBondContact O-ND1 3.35Å; I702-H835 VanDerWaalsContact CG1-CE1 3.47Å; I702-H835 WeakPolarHBondContact CG1-CE1 3.39Å; H835-C837 VanDerWaalsContact C-N 3.3Å; H835-C837 PolarHBondContact O-N 3.12Å; H835-H838 PolarHBondContact O-N 2.85Å; H835-H838 VanDerWaalsContact O-N 3.12Å; H835-I839 PolarHBondContact O-N 3.47Å |
| 836 | R | 78.1 | Confident | 76.5 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -39.8 | -177.9 | -66.8 | 172 | 71.4 | 172.3 | 3.8 | 112.8 | E696 I702 F703 H838 I839 A840 | E696-R836 IonicContact OE1-CZ 3.57Å; E696-R836 IonicContact OE1-NH2 3.96Å; E696-R836 PolarHBondContact OE1-NH2 3.36Å; E696-R836 IonicContact OE2-CZ 3.77Å; E696-R836 IonicContact OE2-NE 2.7Å; E696-R836 PolarHBondContact OE2-NE 2.87Å; E696-R836 IonicContact OE2-NH2 3.91Å; E696-R836 PolarHBondContact OE2-NH2 3.39Å; I702-R836 VanDerWaalsContact O-CG 3.25Å; I702-R836 WeakPolarHBondContact O-CG 3.49Å; F703-R836 HydrophobicContact CD1-CG 4.16Å; F703-R836 HydrophobicContact CE1-CG 4Å; R836-H838 VanDerWaalsContact C-N 3.3Å; R836-H838 PolarHBondContact O-N 3.33Å; R836-I839 PolarHBondContact O-N 3.2Å; R836-A840 PolarHBondContact O-N 2.86Å |
| 837 | C | 80.4 | Confident | 77.1 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 9% | 0.088 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.2 | -39.8 | 177.1 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | L697 T699 H835 A840 V841 | L697-C837 WeakPolarHBondContact CD2-O 3.49Å; T699-C837 WeakPolarHBondContact O-CB 3.48Å; H835-C837 VanDerWaalsContact C-N 3.3Å; H835-C837 PolarHBondContact O-N 3.12Å; C837-A840 PolarHBondContact O-N 3.13Å; C837-V841 WeakPolarHBondContact O-CG2 3.28Å; C837-V841 PolarHBondContact O-N 3.29Å |
| 838 | H | 84.5 | Confident | 77.7 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 178.7 | -58.9 | 151.4 | 0 | 0 | 0 | 112 | H835 R836 A840 V841 I842 H873 V878 | H835-H838 PolarHBondContact O-N 2.85Å; H835-H838 VanDerWaalsContact O-N 3.12Å; R836-H838 VanDerWaalsContact C-N 3.3Å; R836-H838 PolarHBondContact O-N 3.33Å; H838-A840 VanDerWaalsContact C-N 3.34Å; H838-V841 WeakPolarHBondContact O-CB 3.36Å; H838-V841 PolarHBondContact O-N 3Å; H838-I842 WeakPolarHBondContact O-CD1 3.44Å; H838-I842 VanDerWaalsContact O-CG1 3.28Å; H838-I842 WeakPolarHBondContact O-CG1 3.34Å; H838-I842 PolarHBondContact O-N 3.29Å; H838-H873 AromaticContact CE1-CD2 3.28Å; H838-H873 PolarHBondContact CE1-CD2 3.41Å; H838-H873 AromaticContact CE1-NE2 3.22Å; H838-H873 PolarHBondContact CE1-NE2 2.94Å; H838-H873 AromaticContact ND1-CD2 3.63Å; H838-H873 AromaticContact ND1-NE2 3.36Å; H838-H873 PolarHBondContact ND1-NE2 3.49Å; H838-H873 AromaticContact NE2-CD2 3.73Å; H838-V878 HydrophobicContact CB-CG1 4.12Å; H838-V878 HydrophobicContact CB-CG2 4.02Å |
| 839 | I | 86.9 | Confident | 78.1 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 175 | -56.6 | 166 | 0 | 0 | 0 | 110.2 | V664 C834 H835 R836 V841 I842 F843 | V664-I839 HydrophobicContact CG2-CD1 3.29Å; V664-I839 HydrophobicContact CG2-CG1 4.07Å; C834-I839 HydrophobicContact CB-CG1 4.33Å; H835-I839 PolarHBondContact O-N 3.47Å; R836-I839 PolarHBondContact O-N 3.2Å; I839-V841 VanDerWaalsContact C-N 3.33Å; I839-V841 PolarHBondContact O-N 2.91Å; I839-I842 WeakPolarHBondContact O-CB 3.11Å; I839-I842 PolarHBondContact O-N 3.33Å; I839-F843 HydrophobicContact CG2-CD2 3.87Å; I839-F843 HydrophobicContact CG2-CE1 4.28Å; I839-F843 HydrophobicContact CG2-CE2 3.45Å; I839-F843 VanDerWaalsContact CG2-CE2 3.45Å; I839-F843 HydrophobicContact CG2-CG 4.48Å; I839-F843 HydrophobicContact CG2-CZ 3.68Å; I839-F843 WeakPolarHBondContact O-CG 3.3Å; I839-F843 PolarHBondContact O-N 3.48Å |
| 840 | A | 88.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L693 E696 L697 R836 C837 H838 F843 L844 | L693-A840 HydrophobicContact CD2-CB 4.49Å; E696-A840 HydrophobicContact CB-CB 3.83Å; L697-A840 HydrophobicContact CD2-CB 3.87Å; L697-A840 HydrophobicContact CG-CB 3.97Å; R836-A840 PolarHBondContact O-N 2.86Å; C837-A840 PolarHBondContact O-N 3.13Å; H838-A840 VanDerWaalsContact C-N 3.34Å; A840-F843 PolarHBondContact O-N 3.02Å; A840-L844 WeakPolarHBondContact O-CB 3.38Å; A840-L844 WeakPolarHBondContact O-CD1 3.47Å; A840-L844 VanDerWaalsContact O-CG 3.28Å; A840-L844 WeakPolarHBondContact O-CG 3.49Å; A840-L844 PolarHBondContact O-N 2.95Å |
| 841 | V | 88 | Confident | 79.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 171.9 | 170.7 | 0 | 0 | 0 | 0 | 111 | L697 C837 H838 I839 F843 L844 T845 V866 L885 | L697-V841 HydrophobicContact CD2-CB 4.48Å; L697-V841 HydrophobicContact CD2-CG2 3.47Å; L697-V841 VanDerWaalsContact CD2-CG2 3.47Å; C837-V841 WeakPolarHBondContact O-CG2 3.28Å; C837-V841 PolarHBondContact O-N 3.29Å; H838-V841 WeakPolarHBondContact O-CB 3.36Å; H838-V841 PolarHBondContact O-N 3Å; I839-V841 VanDerWaalsContact C-N 3.33Å; I839-V841 PolarHBondContact O-N 2.91Å; V841-F843 VanDerWaalsContact C-N 3.27Å; V841-F843 PolarHBondContact O-N 3Å; V841-L844 PolarHBondContact O-N 3.44Å; V841-L844 VanDerWaalsContact O-N 3.11Å; V841-T845 PolarHBondContact O-N 3.3Å; V841-V866 HydrophobicContact CG2-CB 4.27Å; V841-V866 HydrophobicContact CG2-CG1 3.45Å; V841-V866 VanDerWaalsContact CG2-CG1 3.45Å; V841-L885 HydrophobicContact CG1-CD2 3.92Å |
| 842 | I | 88.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | -179.7 | -67.4 | 161.5 | 0 | 0 | 0 | 111.2 | L671 K675 H838 I839 T845 M877 H881 | L671-I842 HydrophobicContact CD1-CG2 3.7Å; L671-I842 HydrophobicContact CD2-CG2 4.05Å; L671-I842 HydrophobicContact CG-CG2 4.21Å; K675-I842 HydrophobicContact CD-CG2 3.94Å; K675-I842 VanDerWaalsContact CE-O 3.28Å; K675-I842 WeakPolarHBondContact CE-O 3.36Å; K675-I842 HydrophobicContact CG-CG2 4.32Å; H838-I842 WeakPolarHBondContact O-CD1 3.44Å; H838-I842 VanDerWaalsContact O-CG1 3.28Å; H838-I842 WeakPolarHBondContact O-CG1 3.34Å; H838-I842 PolarHBondContact O-N 3.29Å; I839-I842 WeakPolarHBondContact O-CB 3.11Å; I839-I842 PolarHBondContact O-N 3.33Å; I842-T845 PolarHBondContact O-OG1 3.35Å; I842-M877 HydrophobicContact CD1-CE 4.05Å; I842-M877 HydrophobicContact CD1-CG 4.21Å; I842-M877 HydrophobicContact CD1-SD 3.96Å; I842-H881 HydrophobicContact CG1-CB 3.86Å |
| 843 | F | 90.8 | Very high | 80.4 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.4 | -36.2 | 176.4 | -67 | -22.4 | 0 | 0 | 0 | 112.7 | L659 S660 L671 A674 K675 I678 L693 I839 A840 V841 T845 V847 | L659-F843 HydrophobicContact CB-CZ 4.32Å; S660-F843 WeakPolarHBondContact OG-CE2 3.46Å; L671-F843 HydrophobicContact CD1-CE1 4.33Å; A674-F843 HydrophobicContact CB-CE1 3.85Å; A674-F843 HydrophobicContact CB-CZ 4.09Å; K675-F843 HydrophobicContact CG-CD1 4.01Å; K675-F843 HydrophobicContact CG-CE1 4.4Å; I678-F843 HydrophobicContact CD1-CB 3.62Å; I678-F843 HydrophobicContact CD1-CD1 3.43Å; I678-F843 VanDerWaalsContact CD1-CD1 3.43Å; I678-F843 HydrophobicContact CD1-CD2 3.09Å; I678-F843 HydrophobicContact CD1-CE1 3.7Å; I678-F843 HydrophobicContact CD1-CE2 3.36Å; I678-F843 HydrophobicContact CD1-CG 3.1Å; I678-F843 HydrophobicContact CD1-CZ 3.67Å; I678-F843 HydrophobicContact CG2-CB 4.41Å; L693-F843 HydrophobicContact CD1-CB 4.21Å; L693-F843 HydrophobicContact CD2-CB 4.1Å; L693-F843 HydrophobicContact CD2-CD2 4.02Å; I839-F843 HydrophobicContact CG2-CD2 3.87Å; I839-F843 HydrophobicContact CG2-CE1 4.28Å; I839-F843 HydrophobicContact CG2-CE2 3.45Å; I839-F843 VanDerWaalsContact CG2-CE2 3.45Å; I839-F843 HydrophobicContact CG2-CG 4.48Å; I839-F843 HydrophobicContact CG2-CZ 3.68Å; I839-F843 WeakPolarHBondContact O-CG 3.3Å; I839-F843 PolarHBondContact O-N 3.48Å; A840-F843 PolarHBondContact O-N 3.02Å; V841-F843 VanDerWaalsContact C-N 3.27Å; V841-F843 PolarHBondContact O-N 3Å; F843-T845 PolarHBondContact O-N 2.73Å; F843-V847 WeakPolarHBondContact O-CG2 3.4Å |
| 844 | L | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.1 | -25.4 | 179.4 | -77.9 | 164 | 0 | 0 | 0 | 113.9 | L693 L697 A840 V841 D846 V847 V848 W856 L863 | L693-L844 HydrophobicContact CB-CD1 4.05Å; L693-L844 HydrophobicContact CB-CD2 4.05Å; L693-L844 HydrophobicContact CB-CG 3.98Å; L693-L844 HydrophobicContact CD1-CD2 3.86Å; L693-L844 HydrophobicContact CD1-CG 3.93Å; L697-L844 HydrophobicContact CD1-CD1 3.44Å; L697-L844 VanDerWaalsContact CD1-CD1 3.44Å; L697-L844 HydrophobicContact CD2-CD1 4.38Å; L697-L844 HydrophobicContact CG-CD1 4.01Å; A840-L844 WeakPolarHBondContact O-CB 3.38Å; A840-L844 WeakPolarHBondContact O-CD1 3.47Å; A840-L844 VanDerWaalsContact O-CG 3.28Å; A840-L844 WeakPolarHBondContact O-CG 3.49Å; A840-L844 PolarHBondContact O-N 2.95Å; V841-L844 PolarHBondContact O-N 3.44Å; V841-L844 VanDerWaalsContact O-N 3.11Å; L844-D846 PolarHBondContact O-N 3.46Å; L844-V847 PolarHBondContact O-N 3.1Å; L844-V848 VanDerWaalsContact O-CG2 3.32Å; L844-V848 WeakPolarHBondContact O-CG2 3.27Å; L844-V848 PolarHBondContact O-N 3.37Å; L844-V848 VanDerWaalsContact O-N 3.14Å; L844-W856 HydrophobicContact CD2-CH2 4.2Å; L844-W856 HydrophobicContact CD2-CZ3 4.2Å; L844-L863 HydrophobicContact CD1-CD2 3.76Å |
| 845 | T | 87.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -53.1 | -44 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | V841 I842 F843 H881 L885 N888 | V841-T845 PolarHBondContact O-N 3.3Å; I842-T845 PolarHBondContact O-OG1 3.35Å; F843-T845 PolarHBondContact O-N 2.73Å; T845-H881 HydrophobicContact CG2-CB 3.9Å; T845-H881 WeakPolarHBondContact CG2-O 3.46Å; T845-L885 HydrophobicContact CG2-CB 3.91Å; T845-N888 PolarHBondContact O-ND2 3.43Å |
| 846 | D | 83.2 | Confident | 81.9 | Confident | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -88.9 | -28.9 | -172.9 | -65.1 | 14 | 0 | 0 | 0 | 111.2 | K675 V679 L844 V848 L849 A850 | K675-D846 VanDerWaalsContact CE-OD1 3.26Å; K675-D846 WeakPolarHBondContact CE-OD1 3.29Å; K675-D846 WeakPolarHBondContact CE-OD2 3.5Å; K675-D846 VanDerWaalsContact NZ-CG 3.25Å; K675-D846 IonicContact NZ-OD1 2.65Å; K675-D846 PolarHBondContact NZ-OD1 3.33Å; K675-D846 IonicContact NZ-OD2 3.29Å; K675-D846 PolarHBondContact NZ-OD2 2.95Å; V679-D846 HydrophobicContact CG2-CB 4Å; L844-D846 PolarHBondContact O-N 3.46Å; D846-V848 VanDerWaalsContact C-N 3.35Å; D846-V848 PolarHBondContact O-N 2.93Å; D846-L849 PolarHBondContact O-N 3.44Å; D846-A850 PolarHBondContact O-N 2.99Å |
| 847 | V | 86.4 | Confident | 82 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | I678 A682 V690 F843 L844 L849 A850 W856 | I678-V847 HydrophobicContact CG2-CG2 3.65Å; A682-V847 HydrophobicContact CB-CG1 3.87Å; A682-V847 HydrophobicContact CB-CG2 4.26Å; V690-V847 HydrophobicContact CG2-CG1 4.32Å; F843-V847 WeakPolarHBondContact O-CG2 3.4Å; L844-V847 PolarHBondContact O-N 3.1Å; V847-L849 PolarHBondContact O-N 3.24Å; V847-A850 WeakPolarHBondContact O-CB 3.43Å; V847-A850 PolarHBondContact O-N 2.98Å; V847-A850 VanDerWaalsContact O-N 3.13Å; V847-W856 HydrophobicContact CG1-CH2 4.02Å; V847-W856 HydrophobicContact CG1-CZ2 4.23Å |
| 848 | V | 82.6 | Confident | 82 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.6 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 112.7 | L844 D846 W856 L885 N888 L889 L892 | L844-V848 VanDerWaalsContact O-CG2 3.32Å; L844-V848 WeakPolarHBondContact O-CG2 3.27Å; L844-V848 PolarHBondContact O-N 3.37Å; L844-V848 VanDerWaalsContact O-N 3.14Å; D846-V848 VanDerWaalsContact C-N 3.35Å; D846-V848 PolarHBondContact O-N 2.93Å; V848-W856 HydrophobicContact CB-CH2 4.43Å; V848-W856 HydrophobicContact CB-CZ2 4.41Å; V848-W856 HydrophobicContact CG2-CE3 4.15Å; V848-W856 HydrophobicContact CG2-CH2 3.52Å; V848-W856 HydrophobicContact CG2-CZ2 3.93Å; V848-W856 HydrophobicContact CG2-CZ3 3.65Å; V848-L885 HydrophobicContact CG2-CD1 3.91Å; V848-N888 HydrophobicContact CG1-CB 4.17Å; V848-L889 HydrophobicContact CG1-CD2 3.95Å; V848-L889 HydrophobicContact CG1-CG 4.48Å; V848-L889 HydrophobicContact CG2-CD2 4.21Å; V848-L892 HydrophobicContact CG1-CB 4.4Å; V848-L892 HydrophobicContact CG1-CD2 4.23Å |
| 849 | L | 76.2 | Confident | 82 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11.6 | 179.4 | -69.7 | -178.7 | 0 | 0 | 0 | 114.1 | D846 V847 D851 N888 R905 | D846-L849 PolarHBondContact O-N 3.44Å; V847-L849 PolarHBondContact O-N 3.24Å; L849-D851 PolarHBondContact O-N 3.19Å; L849-N888 WeakPolarHBondContact CD1-ND2 3.33Å; L849-N888 WeakPolarHBondContact CD1-OD1 3.28Å; L849-N888 HydrophobicContact CD2-CB 4.05Å; L849-N888 HydrophobicContact CG-CB 4.06Å; L849-R905 HydrophobicContact CD2-CG 4.42Å |
| 850 | A | 74.5 | Confident | 82 | Confident | 17 Ų | 17 | 34 Ų | 34 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -68.4 | 121.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | D846 V847 M852 | D846-A850 PolarHBondContact O-N 2.99Å; V847-A850 WeakPolarHBondContact O-CB 3.43Å; V847-A850 PolarHBondContact O-N 2.98Å; V847-A850 VanDerWaalsContact O-N 3.13Å; A850-M852 VanDerWaalsContact C-N 3.26Å; A850-M852 HydrophobicContact CB-CG 3.59Å; A850-M852 HydrophobicContact CB-SD 4.1Å; A850-M852 WeakPolarHBondContact O-CB 3.48Å; A850-M852 WeakPolarHBondContact O-CG 3.28Å; A850-M852 PolarHBondContact O-N 3.01Å |
| 851 | D | 66.6 | Low | 81.8 | Confident | 154 Ų | 154 | 34.1 Ų | 34.1 | 82% | 0.824 | 19% | 0.187 | S | C | * | . | trans | -61.1 | 84.9 | 178.7 | -82.3 | -34.5 | 0 | 0 | 0 | 110.7 | L849 | L849-D851 PolarHBondContact O-N 3.19Š| ||
| 852 | M | 72.6 | Confident | 81.5 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 20% | 0.202 | 19% | 0.193 | C | C | . | . | trans | -117.4 | 139 | -169.3 | -56.2 | -106.7 | 61 | 0 | 0 | 110.1 | A682 R683 P686 A850 V854 | A682-M852 HydrophobicContact CB-SD 3.81Å; A682-M852 WeakPolarHBondContact O-CE 3.47Å; R683-M852 VanDerWaalsContact CA-CE 3.5Å; P686-M852 HydrophobicContact CB-CB 4.28Å; P686-M852 HydrophobicContact CB-CE 4.14Å; P686-M852 HydrophobicContact CB-SD 3.8Å; P686-M852 HydrophobicContact CG-CE 4.2Å; A850-M852 VanDerWaalsContact C-N 3.26Å; A850-M852 HydrophobicContact CB-CG 3.59Å; A850-M852 HydrophobicContact CB-SD 4.1Å; A850-M852 WeakPolarHBondContact O-CB 3.48Å; A850-M852 WeakPolarHBondContact O-CG 3.28Å; A850-M852 PolarHBondContact O-N 3.01Å; M852-V854 HydrophobicContact CB-CG2 4.34Å; M852-V854 PolarHBondContact O-N 3.45Å | ||
| 853 | D | 72.8 | Confident | 81.5 | Confident | 161 Ų | 161 | 35.1 Ų | 35.1 | 86% | 0.861 | 19% | 0.193 | S | C | * | . | trans | -80.9 | 68.4 | 178.3 | -162.5 | 19.1 | 0 | 0 | 0 | 110.5 | ||||
| 854 | V | 78.9 | Confident | 81.3 | Confident | 20 Ų | 20 | 35.1 Ų | 35.1 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | trans | -122.2 | 134 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | P686 E687 M852 W856 | P686-V854 HydrophobicContact CB-CG2 3.57Å; P686-V854 HydrophobicContact CG-CG2 4.13Å; E687-V854 HydrophobicContact CG-CG2 4.44Å; M852-V854 HydrophobicContact CB-CG2 4.34Å; M852-V854 PolarHBondContact O-N 3.45Å; V854-W856 VanDerWaalsContact C-N 3.35Å; V854-W856 PolarHBondContact O-N 3.13Å | ||
| 855 | D | 78.5 | Confident | 81.1 | Confident | 97 Ų | 97 | 36 Ų | 36 | 52% | 0.519 | 20% | 0.196 | S | C | . | . | trans | -77.4 | 85.4 | 171.4 | -172.4 | 8.8 | 0 | 0 | 0 | 111.4 | S857 V858 | D855-S857 PolarHBondContact O-N 2.92Å; D855-S857 VanDerWaalsContact O-N 3.07Å; D855-S857 WeakPolarHBondContact OD1-CB 3.4Å; D855-S857 PolarHBondContact OD1-N 3.49Å; D855-S857 VanDerWaalsContact OD1-N 3.11Å; D855-S857 PolarHBondContact OD1-OG 3.31Å; D855-S857 PolarHBondContact OD2-OG 3.05Å; D855-V858 PolarHBondContact O-N 3.44Å | ||
| 856 | W | 83.7 | Confident | 80.9 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.8 | 176.6 | -67.4 | 97.2 | 0 | 0 | 0 | 113.8 | V690 L844 V847 V848 V854 V858 H859 L860 L863 L892 Y893 | V690-W856 HydrophobicContact CG1-CZ3 4.23Å; V690-W856 HydrophobicContact CG2-CH2 3.73Å; V690-W856 HydrophobicContact CG2-CZ2 4.21Å; V690-W856 HydrophobicContact CG2-CZ3 4.25Å; L844-W856 HydrophobicContact CD2-CH2 4.2Å; L844-W856 HydrophobicContact CD2-CZ3 4.2Å; V847-W856 HydrophobicContact CG1-CH2 4.02Å; V847-W856 HydrophobicContact CG1-CZ2 4.23Å; V848-W856 HydrophobicContact CB-CH2 4.43Å; V848-W856 HydrophobicContact CB-CZ2 4.41Å; V848-W856 HydrophobicContact CG2-CE3 4.15Å; V848-W856 HydrophobicContact CG2-CH2 3.52Å; V848-W856 HydrophobicContact CG2-CZ2 3.93Å; V848-W856 HydrophobicContact CG2-CZ3 3.65Å; V854-W856 VanDerWaalsContact C-N 3.35Å; V854-W856 PolarHBondContact O-N 3.13Å; W856-V858 PolarHBondContact O-N 2.8Å; W856-H859 PolarHBondContact O-N 3.09Å; W856-H859 VanDerWaalsContact O-N 3.16Å; W856-L860 WeakPolarHBondContact O-CB 3.34Å; W856-L860 PolarHBondContact O-N 3.43Å; W856-L863 HydrophobicContact CE3-CD1 3.86Å; W856-L863 HydrophobicContact CZ3-CD1 4.08Å; W856-L892 HydrophobicContact CB-CD2 4.01Å; W856-L892 VanDerWaalsContact CD1-CD2 3.49Å; W856-L892 HydrophobicContact CD2-CD2 4.43Å; W856-L892 HydrophobicContact CG-CD2 3.7Å; W856-Y893 HydrophobicContact CB-CE2 4.43Å; W856-Y893 VanDerWaalsContact CB-OH 3.3Å; W856-Y893 WeakPolarHBondContact CB-OH 3.35Å |
| 857 | S | 79.9 | Confident | 81 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23 | -177.2 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | D855 Y893 R1030 | D855-S857 PolarHBondContact O-N 2.92Å; D855-S857 VanDerWaalsContact O-N 3.07Å; D855-S857 WeakPolarHBondContact OD1-CB 3.4Å; D855-S857 PolarHBondContact OD1-N 3.49Å; D855-S857 VanDerWaalsContact OD1-N 3.11Å; D855-S857 PolarHBondContact OD1-OG 3.31Å; D855-S857 PolarHBondContact OD2-OG 3.05Å; S857-Y893 WeakPolarHBondContact CA-OH 3.24Å; S857-Y893 PolarHBondContact N-OH 3.05Å; S857-R1030 PolarHBondContact O-NH1 3.12Å; S857-R1030 PolarHBondContact O-NH2 3.03Å |
| 858 | V | 81.8 | Confident | 80.9 | Confident | 85 Ų | 85 | 36 Ų | 36 | 52% | 0.515 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -40.7 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | D855 W856 R1030 | D855-V858 PolarHBondContact O-N 3.44Å; W856-V858 PolarHBondContact O-N 2.8Å; V858-R1030 PolarHBondContact O-NH2 2.88Å |
| 859 | H | 84.9 | Confident | 80.7 | Confident | 33 Ų | 33 | 38.9 Ų | 38.9 | 15% | 0.153 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -16.1 | -175.2 | -54.1 | -69.9 | 0 | 0 | 0 | 113.9 | T694 W856 P861 L862 L863 | T694-H859 HydrophobicContact CG2-CB 4.14Å; W856-H859 PolarHBondContact O-N 3.09Å; W856-H859 VanDerWaalsContact O-N 3.16Å; H859-P861 VanDerWaalsContact C-CD 3.44Å; H859-L862 PolarHBondContact O-N 3.05Å; H859-L862 VanDerWaalsContact O-N 3.1Å; H859-L863 HydrophobicContact CB-CD1 4.13Å; H859-L863 HydrophobicContact CB-CG 4.41Å; H859-L863 WeakPolarHBondContact O-CG 3.41Å; H859-L863 PolarHBondContact O-N 3.47Å |
| 860 | L | 86.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -48.7 | -44.6 | -176 | -175.9 | 66.2 | 0 | 0 | 0 | 114.5 | W856 L862 L863 L864 L889 Y893 Y1018 L1022 I1027 | W856-L860 WeakPolarHBondContact O-CB 3.34Å; W856-L860 PolarHBondContact O-N 3.43Å; L860-L862 PolarHBondContact O-N 3.42Å; L860-L863 PolarHBondContact O-N 2.88Å; L860-L864 HydrophobicContact CD1-CD1 4.11Å; L860-L864 HydrophobicContact CD1-CD2 4.36Å; L860-L864 HydrophobicContact CD1-CG 4Å; L860-L864 HydrophobicContact CG-CD1 3.96Å; L860-L864 HydrophobicContact CG-CG 4.26Å; L860-L864 WeakPolarHBondContact O-CB 3.31Å; L860-L864 VanDerWaalsContact O-CG 3.28Å; L860-L864 WeakPolarHBondContact O-CG 3.35Å; L860-L864 PolarHBondContact O-N 2.95Å; L860-L889 HydrophobicContact CD1-CD1 4.31Å; L860-L889 HydrophobicContact CD1-CD2 4.31Å; L860-Y893 HydrophobicContact CD1-CE2 4.28Å; L860-Y893 HydrophobicContact CD2-CE2 4.33Å; L860-Y1018 HydrophobicContact CD1-CE1 3.99Å; L860-Y1018 HydrophobicContact CD1-CE2 4.43Å; L860-Y1018 HydrophobicContact CD2-CD1 3.66Å; L860-Y1018 HydrophobicContact CD2-CE1 3.88Å; L860-Y1018 HydrophobicContact CD2-CG 4.06Å; L860-L1022 HydrophobicContact CD2-CD1 3.95Å; L860-I1027 HydrophobicContact CD2-CG1 4.17Å |
| 861 | P | 83.2 | Confident | 81.2 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.032 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 179.3 | -23.8 | 35.3 | 0 | 0 | 0 | 113.8 | H859 H865 R1030 W1031 | H859-P861 VanDerWaalsContact C-CD 3.44Å; P861-H865 WeakPolarHBondContact O-CB 3.47Å; P861-H865 PolarHBondContact O-N 2.98Å; P861-R1030 HydrophobicContact CB-CB 4.22Å; P861-R1030 HydrophobicContact CG-CB 3.73Å; P861-W1031 HydrophobicContact CB-CB 4.5Å |
| 862 | L | 83 | Confident | 81.6 | Confident | 25 Ų | 25 | 31.8 Ų | 31.8 | 13% | 0.131 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.1 | -43.7 | 177.7 | 180 | 64.5 | 0 | 0 | 0 | 110.9 | L697 E698 H859 L860 L864 H865 V866 T1034 | L697-L862 HydrophobicContact CB-CD2 4.03Å; L697-L862 HydrophobicContact CB-CG 4.41Å; L697-L862 HydrophobicContact CD1-CD2 4.33Å; L697-L862 HydrophobicContact CD1-CG 4.46Å; E698-L862 HydrophobicContact CG-CD1 4.41Å; E698-L862 HydrophobicContact CG-CD2 3.89Å; H859-L862 PolarHBondContact O-N 3.05Å; H859-L862 VanDerWaalsContact O-N 3.1Å; L860-L862 PolarHBondContact O-N 3.42Å; L862-L864 PolarHBondContact O-N 3.45Å; L862-H865 PolarHBondContact O-N 3.44Å; L862-V866 HydrophobicContact CD1-CG2 4.09Å; L862-V866 WeakPolarHBondContact O-CG2 3.22Å; L862-V866 PolarHBondContact O-N 3.29Å; L862-T1034 HydrophobicContact CB-CG2 4.3Å; L862-T1034 HydrophobicContact CD1-CG2 3.94Å |
| 863 | L | 88.2 | Confident | 81.7 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 178.4 | -66 | 172.4 | 0 | 0 | 0 | 112 | L697 L844 W856 H859 L860 S867 L885 L889 | L697-L863 HydrophobicContact CD1-CD2 3.61Å; L844-L863 HydrophobicContact CD1-CD2 3.76Å; W856-L863 HydrophobicContact CE3-CD1 3.86Å; W856-L863 HydrophobicContact CZ3-CD1 4.08Å; H859-L863 HydrophobicContact CB-CD1 4.13Å; H859-L863 HydrophobicContact CB-CG 4.41Å; H859-L863 WeakPolarHBondContact O-CG 3.41Å; H859-L863 PolarHBondContact O-N 3.47Å; L860-L863 PolarHBondContact O-N 2.88Å; L863-S867 VanDerWaalsContact O-CB 3.24Å; L863-S867 WeakPolarHBondContact O-CB 2.96Å; L863-S867 PolarHBondContact O-N 3.46Å; L863-S867 PolarHBondContact O-OG 3.31Å; L863-L885 HydrophobicContact CD2-CD2 4.41Å; L863-L889 HydrophobicContact CB-CD1 4.05Å; L863-L889 HydrophobicContact CD1-CD2 4.16Å |
| 864 | L | 87 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 174.9 | -68.1 | 176.2 | 0 | 0 | 0 | 110.5 | L860 L862 S867 F868 L886 L889 V1014 Y1018 I1027 W1031 | L860-L864 HydrophobicContact CD1-CD1 4.11Å; L860-L864 HydrophobicContact CD1-CD2 4.36Å; L860-L864 HydrophobicContact CD1-CG 4Å; L860-L864 HydrophobicContact CG-CD1 3.96Å; L860-L864 HydrophobicContact CG-CG 4.26Å; L860-L864 WeakPolarHBondContact O-CB 3.31Å; L860-L864 VanDerWaalsContact O-CG 3.28Å; L860-L864 WeakPolarHBondContact O-CG 3.35Å; L860-L864 PolarHBondContact O-N 2.95Å; L862-L864 PolarHBondContact O-N 3.45Å; L864-S867 PolarHBondContact O-N 3.04Å; L864-F868 VanDerWaalsContact O-CD2 3.28Å; L864-F868 WeakPolarHBondContact O-CD2 3.46Å; L864-F868 PolarHBondContact O-N 3.17Å; L864-L886 HydrophobicContact CD2-CD2 3.65Å; L864-L889 HydrophobicContact CD2-CD1 4.33Å; L864-V1014 HydrophobicContact CD1-CG1 4.44Å; L864-V1014 HydrophobicContact CD2-CG1 4.06Å; L864-Y1018 HydrophobicContact CD1-CD2 3.86Å; L864-Y1018 HydrophobicContact CD1-CE2 3.84Å; L864-Y1018 HydrophobicContact CD2-CE2 3.7Å; L864-Y1018 HydrophobicContact CG-CE2 4.36Å; L864-I1027 HydrophobicContact CD1-CG2 4.22Å; L864-W1031 HydrophobicContact CB-CD2 4.28Å; L864-W1031 HydrophobicContact CB-CH2 4.39Å; L864-W1031 HydrophobicContact CB-CZ2 4Å; L864-W1031 HydrophobicContact CD1-CE3 4.19Å; L864-W1031 HydrophobicContact CD1-CZ3 4.32Å |
| 865 | H | 83.9 | Confident | 81.2 | Confident | 18 Ų | 18 | 29.3 Ų | 29.3 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -55.8 | -179.7 | -174.5 | 40.2 | 0 | 0 | 0 | 112.4 | P861 L862 S867 F868 L869 T1034 | P861-H865 WeakPolarHBondContact O-CB 3.47Å; P861-H865 PolarHBondContact O-N 2.98Å; L862-H865 PolarHBondContact O-N 3.44Å; H865-S867 VanDerWaalsContact C-N 3.31Å; H865-S867 PolarHBondContact O-N 3.15Å; H865-F868 PolarHBondContact O-N 3.36Å; H865-L869 WeakPolarHBondContact O-CG 3.45Å; H865-L869 PolarHBondContact O-N 3.03Å; H865-L869 VanDerWaalsContact O-N 3.15Å; H865-T1034 HydrophobicContact CB-CG2 4.46Å |
| 866 | V | 83.7 | Confident | 81.1 | Confident | 15 Ų | 15 | 26.8 Ų | 26.8 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -36.8 | -178.7 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | L697 V841 L862 F868 L869 G870 | L697-V866 HydrophobicContact CD2-CB 4.39Å; L697-V866 HydrophobicContact CD2-CG1 4.07Å; L697-V866 HydrophobicContact CD2-CG2 4.35Å; V841-V866 HydrophobicContact CG2-CB 4.27Å; V841-V866 HydrophobicContact CG2-CG1 3.45Å; V841-V866 VanDerWaalsContact CG2-CG1 3.45Å; L862-V866 HydrophobicContact CD1-CG2 4.09Å; L862-V866 WeakPolarHBondContact O-CG2 3.22Å; L862-V866 PolarHBondContact O-N 3.29Å; V866-F868 PolarHBondContact O-N 3.33Å; V866-L869 PolarHBondContact O-N 3.19Å; V866-G870 PolarHBondContact O-N 3.45Å |
| 867 | S | 86.3 | Confident | 81 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 176.4 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | L863 L864 H865 L869 G870 L871 C882 L885 | L863-S867 VanDerWaalsContact O-CB 3.24Å; L863-S867 WeakPolarHBondContact O-CB 2.96Å; L863-S867 PolarHBondContact O-N 3.46Å; L863-S867 PolarHBondContact O-OG 3.31Å; L864-S867 PolarHBondContact O-N 3.04Å; H865-S867 VanDerWaalsContact C-N 3.31Å; H865-S867 PolarHBondContact O-N 3.15Å; S867-L869 VanDerWaalsContact C-N 3.31Å; S867-L869 PolarHBondContact O-N 3.29Å; S867-G870 PolarHBondContact O-N 3.4Å; S867-L871 WeakPolarHBondContact O-CG 3.43Å; S867-L871 PolarHBondContact O-N 2.9Å; S867-C882 WeakPolarHBondContact O-CB 3.06Å; S867-L885 VanDerWaalsContact OG-CD2 3.31Å; S867-L885 WeakPolarHBondContact OG-CD2 3.34Å |
| 868 | F | 84.8 | Confident | 81.1 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -34 | 178.8 | -91.5 | -95.8 | 0 | 0 | 0 | 112.7 | L864 H865 V866 L871 L886 L1010 V1011 V1014 W1031 I1040 | L864-F868 VanDerWaalsContact O-CD2 3.28Å; L864-F868 WeakPolarHBondContact O-CD2 3.46Å; L864-F868 PolarHBondContact O-N 3.17Å; H865-F868 PolarHBondContact O-N 3.36Å; V866-F868 PolarHBondContact O-N 3.33Å; F868-L871 HydrophobicContact CD1-CD1 3.98Å; F868-L871 HydrophobicContact CE1-CD1 4.33Å; F868-L871 HydrophobicContact CG-CD1 4.29Å; F868-L871 PolarHBondContact O-N 2.94Å; F868-L886 HydrophobicContact CD2-CD1 4.28Å; F868-L886 HydrophobicContact CD2-CD2 4.18Å; F868-L886 HydrophobicContact CE2-CD1 4.09Å; F868-L886 HydrophobicContact CE2-CD2 3.97Å; F868-L1010 HydrophobicContact CE1-CD2 3.83Å; F868-L1010 HydrophobicContact CE1-CG 4.03Å; F868-L1010 HydrophobicContact CZ-CD2 4.24Å; F868-L1010 HydrophobicContact CZ-CG 4.14Å; F868-V1011 HydrophobicContact CD1-CG2 3.82Å; F868-V1011 HydrophobicContact CE1-CB 4.42Å; F868-V1011 HydrophobicContact CE1-CG2 3.4Å; F868-V1011 VanDerWaalsContact CE1-CG2 3.4Å; F868-V1011 HydrophobicContact CZ-CG2 4.03Å; F868-V1014 HydrophobicContact CE2-CB 4.39Å; F868-V1014 HydrophobicContact CE2-CG1 4.16Å; F868-V1014 HydrophobicContact CE2-CG2 4.25Å; F868-V1014 HydrophobicContact CZ-CB 4.16Å; F868-V1014 HydrophobicContact CZ-CG1 4.43Å; F868-V1014 HydrophobicContact CZ-CG2 3.86Å; F868-W1031 AromaticContact CD2-CH2 3.77Å; F868-W1031 HydrophobicContact CD2-CH2 3.77Å; F868-W1031 AromaticContact CD2-CZ2 3.59Å; F868-W1031 HydrophobicContact CD2-CZ2 3.59Å; F868-W1031 AromaticContact CE2-CH2 3.48Å; F868-W1031 HydrophobicContact CE2-CH2 3.48Å; F868-W1031 VanDerWaalsContact CE2-CH2 3.48Å; F868-W1031 AromaticContact CE2-CZ2 3.84Å; F868-W1031 HydrophobicContact CE2-CZ2 3.84Å; F868-W1031 HydrophobicContact CG-CH2 4.4Å; F868-W1031 HydrophobicContact CG-CZ2 4.06Å; F868-W1031 AromaticContact CZ-CH2 3.91Å; F868-W1031 HydrophobicContact CZ-CH2 3.91Å; F868-W1031 HydrophobicContact CZ-CZ2 4.5Å; F868-I1040 HydrophobicContact CB-CD1 4.16Å |
| 869 | L | 78.3 | Confident | 81.1 | Confident | 60 Ų | 60 | 23.9 Ų | 23.9 | 31% | 0.314 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 173.4 | -63.9 | 179.7 | 0 | 0 | 0 | 111.8 | H865 V866 S867 L871 H1037 I1040 | H865-L869 WeakPolarHBondContact O-CG 3.45Å; H865-L869 PolarHBondContact O-N 3.03Å; H865-L869 VanDerWaalsContact O-N 3.15Å; V866-L869 PolarHBondContact O-N 3.19Å; S867-L869 VanDerWaalsContact C-N 3.31Å; S867-L869 PolarHBondContact O-N 3.29Å; L869-L871 VanDerWaalsContact C-N 3.29Å; L869-L871 PolarHBondContact O-N 2.82Å; L869-H1037 HydrophobicContact CD2-CB 4.49Å; L869-H1037 VanDerWaalsContact CD2-CE1 3.47Å; L869-H1037 WeakPolarHBondContact CD2-CE1 3.34Å; L869-H1037 WeakPolarHBondContact CD2-ND1 3.41Å; L869-I1040 HydrophobicContact CD2-CD1 4.32Å |
| 870 | G | 78.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -76.6 | -8.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V866 S867 D872 H873 N879 C882 | V866-G870 PolarHBondContact O-N 3.45Å; S867-G870 PolarHBondContact O-N 3.4Å; G870-D872 PolarHBondContact O-N 3.29Å; G870-H873 WeakPolarHBondContact O-CB 3.25Å; G870-H873 PolarHBondContact O-N 2.94Å; G870-N879 WeakPolarHBondContact O-CA 3.46Å; G870-C882 VanDerWaalsContact CA-SG 3.57Å |
| 871 | L | 81.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -19.4 | 177.1 | -71.2 | -178.6 | 0 | 0 | 0 | 113.9 | S867 F868 L869 N879 C882 K883 L886 L988 W989 L1010 | S867-L871 WeakPolarHBondContact O-CG 3.43Å; S867-L871 PolarHBondContact O-N 2.9Å; F868-L871 HydrophobicContact CD1-CD1 3.98Å; F868-L871 HydrophobicContact CE1-CD1 4.33Å; F868-L871 HydrophobicContact CG-CD1 4.29Å; F868-L871 PolarHBondContact O-N 2.94Å; L869-L871 VanDerWaalsContact C-N 3.29Å; L869-L871 PolarHBondContact O-N 2.82Å; L871-N879 PolarHBondContact O-ND2 3.39Å; L871-C882 HydrophobicContact CD2-CB 4.17Å; L871-K883 HydrophobicContact CD2-CB 4.39Å; L871-K883 HydrophobicContact CD2-CG 3.53Å; L871-L886 HydrophobicContact CD1-CD1 3.96Å; L871-L886 HydrophobicContact CD2-CD1 4.08Å; L871-L886 HydrophobicContact CG-CD1 4.38Å; L871-L988 HydrophobicContact CB-CD1 3.81Å; L871-L988 HydrophobicContact CD1-CD1 3.92Å; L871-L988 HydrophobicContact CD2-CD1 3.72Å; L871-L988 HydrophobicContact CG-CD1 3.99Å; L871-L988 PolarHBondContact O-N 3.29Å; L871-W989 HydrophobicContact CD1-CZ2 4.41Å; L871-L1010 HydrophobicContact CD1-CD2 4.28Å |
| 872 | D | 74.9 | Confident | 81.4 | Confident | 65 Ų | 65 | 26.4 Ų | 26.4 | 35% | 0.348 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 8.1 | 178.7 | -152.7 | 35.1 | 0 | 0 | 0 | 113.5 | G870 S874 P987 W989 | G870-D872 PolarHBondContact O-N 3.29Å; D872-S874 PolarHBondContact O-N 3.45Å; D872-P987 VanDerWaalsContact OD1-CB 3.29Å; D872-P987 WeakPolarHBondContact OD1-CB 3.44Å; D872-W989 VanDerWaalsContact OD1-O 3.12Å |
| 873 | H | 74.7 | Confident | 81.6 | Confident | 27 Ų | 27 | 25.5 Ų | 25.5 | 13% | 0.125 | 14% | 0.139 | C | C | . | . | trans | -65.1 | 132.6 | -179 | -160.9 | -43.4 | 0 | 0 | 0 | 110 | H838 G870 R875 V878 | H838-H873 AromaticContact CE1-CD2 3.28Å; H838-H873 PolarHBondContact CE1-CD2 3.41Å; H838-H873 AromaticContact CE1-NE2 3.22Å; H838-H873 PolarHBondContact CE1-NE2 2.94Å; H838-H873 AromaticContact ND1-CD2 3.63Å; H838-H873 AromaticContact ND1-NE2 3.36Å; H838-H873 PolarHBondContact ND1-NE2 3.49Å; H838-H873 AromaticContact NE2-CD2 3.73Å; G870-H873 WeakPolarHBondContact O-CB 3.25Å; G870-H873 PolarHBondContact O-N 2.94Å; H873-R875 PolarHBondContact ND1-N 3.18Å; H873-R875 PolarHBondContact O-N 3Å; H873-V878 HydrophobicContact CB-CB 4.03Å; H873-V878 HydrophobicContact CB-CG1 4.03Å | ||
| 874 | S | 66.1 | Low | 81.5 | Confident | 72 Ų | 72 | 27.5 Ų | 27.5 | 50% | 0.503 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -53 | -24.1 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | D872 | D872-S874 PolarHBondContact O-N 3.45Š|
| 875 | R | 75.2 | Confident | 81.5 | Confident | 70 Ų | 70 | 27.5 Ų | 27.5 | 26% | 0.264 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -90.2 | 117.3 | 177.3 | -65.7 | -165.1 | -171.7 | -170.5 | 14.4 | 110.2 | I832 C834 H873 M877 V878 N879 | I832-R875 PolarHBondContact O-NH1 2.99Å; I832-R875 PolarHBondContact O-NH2 3.35Å; C834-R875 PolarHBondContact SG-NH1 3.19Å; H873-R875 PolarHBondContact ND1-N 3.18Å; H873-R875 PolarHBondContact O-N 3Å; R875-M877 PolarHBondContact O-N 3.15Å; R875-M877 VanDerWaalsContact O-N 3.08Å; R875-V878 HydrophobicContact CB-CG2 4.35Å; R875-V878 PolarHBondContact O-N 3.35Å; R875-N879 PolarHBondContact O-N 3Å; R875-N879 VanDerWaalsContact O-N 3.12Å |
| 876 | A | 77.9 | Confident | 81.7 | Confident | 44 Ų | 44 | 27 Ų | 27 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -51.2 | -34.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V878 N880 | A876-V878 PolarHBondContact O-N 3.37Å; A876-N880 WeakPolarHBondContact O-CB 3.37Å; A876-N880 PolarHBondContact O-N 2.97Å; A876-N880 PolarHBondContact O-ND2 2.83Å |
| 877 | M | 79.9 | Confident | 81.7 | Confident | 51 Ų | 51 | 26.6 Ų | 26.6 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -56.4 | -50.5 | 176.1 | -173.4 | -160.9 | -156.1 | 0 | 0 | 112.6 | P667 L671 I842 R875 H881 | P667-M877 HydrophobicContact CB-CE 3.65Å; P667-M877 HydrophobicContact CB-SD 4.32Å; L671-M877 HydrophobicContact CB-CE 4.39Å; L671-M877 HydrophobicContact CD1-CE 3.72Å; L671-M877 HydrophobicContact CD2-CE 3.24Å; L671-M877 HydrophobicContact CG-CE 3.93Å; I842-M877 HydrophobicContact CD1-CE 4.05Å; I842-M877 HydrophobicContact CD1-CG 4.21Å; I842-M877 HydrophobicContact CD1-SD 3.96Å; R875-M877 PolarHBondContact O-N 3.15Å; R875-M877 VanDerWaalsContact O-N 3.08Å; M877-H881 PolarHBondContact O-N 3.38Å; M877-H881 PolarHBondContact O-ND1 3.5Å |
| 878 | V | 82.5 | Confident | 81.7 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.2 | -47 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | H838 H873 R875 A876 N880 H881 C882 | H838-V878 HydrophobicContact CB-CG1 4.12Å; H838-V878 HydrophobicContact CB-CG2 4.02Å; H873-V878 HydrophobicContact CB-CB 4.03Å; H873-V878 HydrophobicContact CB-CG1 4.03Å; R875-V878 HydrophobicContact CB-CG2 4.35Å; R875-V878 PolarHBondContact O-N 3.35Å; A876-V878 PolarHBondContact O-N 3.37Å; V878-N880 PolarHBondContact O-N 3.42Å; V878-H881 PolarHBondContact O-N 3.46Å; V878-C882 WeakPolarHBondContact O-CB 3.47Å; V878-C882 PolarHBondContact O-N 2.89Å; V878-C882 PolarHBondContact O-SG 3.37Å |
| 879 | N | 82.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.2 | -50.8 | 178.8 | 179 | -49 | 0 | 0 | 0 | 112.4 | G870 L871 R875 H881 C882 K883 M986 P987 | G870-N879 WeakPolarHBondContact O-CA 3.46Å; L871-N879 PolarHBondContact O-ND2 3.39Å; R875-N879 PolarHBondContact O-N 3Å; R875-N879 VanDerWaalsContact O-N 3.12Å; N879-H881 PolarHBondContact O-N 3.42Å; N879-C882 PolarHBondContact O-N 3.41Å; N879-K883 WeakPolarHBondContact O-CG 3.32Å; N879-K883 PolarHBondContact O-N 3.22Å; N879-K883 VanDerWaalsContact OD1-CD 3.27Å; N879-K883 WeakPolarHBondContact OD1-CD 3.23Å; N879-K883 WeakPolarHBondContact OD1-CE 3.38Å; N879-K883 PolarHBondContact OD1-NZ 3.1Å; N879-M986 PolarHBondContact ND2-O 2.86Å; N879-M986 VanDerWaalsContact ND2-O 3.13Å; N879-P987 WeakPolarHBondContact ND2-CA 3.45Å |
| 880 | N | 84.5 | Confident | 81.9 | Confident | 63 Ų | 63 | 23.5 Ų | 23.5 | 34% | 0.337 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.2 | -40.2 | -179.8 | -69.5 | -19.9 | 0 | 0 | 0 | 111.4 | A876 V878 K883 Q884 G985 | A876-N880 WeakPolarHBondContact O-CB 3.37Å; A876-N880 PolarHBondContact O-N 2.97Å; A876-N880 PolarHBondContact O-ND2 2.83Å; V878-N880 PolarHBondContact O-N 3.42Å; N880-K883 PolarHBondContact O-N 3.07Å; N880-Q884 WeakPolarHBondContact O-CB 3.34Å; N880-Q884 PolarHBondContact O-N 3.24Å; N880-G985 PolarHBondContact OD1-N 3.14Å |
| 881 | H | 88 | Confident | 81.9 | Confident | 30 Ų | 30 | 23.7 Ų | 23.7 | 14% | 0.139 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.1 | -35.2 | 176.6 | -76.8 | 87 | 0 | 0 | 0 | 112.5 | K675 I842 T845 M877 V878 N879 Q884 L885 | K675-H881 PolarHBondContact NZ-NE2 3.12Å; K675-H881 VanDerWaalsContact NZ-NE2 3.15Å; I842-H881 HydrophobicContact CG1-CB 3.86Å; T845-H881 HydrophobicContact CG2-CB 3.9Å; T845-H881 WeakPolarHBondContact CG2-O 3.46Å; M877-H881 PolarHBondContact O-N 3.38Å; M877-H881 PolarHBondContact O-ND1 3.5Å; V878-H881 PolarHBondContact O-N 3.46Å; N879-H881 PolarHBondContact O-N 3.42Å; H881-Q884 PolarHBondContact O-N 2.84Å; H881-L885 WeakPolarHBondContact O-CB 3.46Å; H881-L885 PolarHBondContact O-N 3.44Å |
| 882 | C | 88.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 173.1 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | S867 G870 L871 V878 N879 Q884 L885 L886 | S867-C882 WeakPolarHBondContact O-CB 3.06Å; G870-C882 VanDerWaalsContact CA-SG 3.57Å; L871-C882 HydrophobicContact CD2-CB 4.17Å; V878-C882 WeakPolarHBondContact O-CB 3.47Å; V878-C882 PolarHBondContact O-N 2.89Å; V878-C882 PolarHBondContact O-SG 3.37Å; N879-C882 PolarHBondContact O-N 3.41Å; C882-Q884 VanDerWaalsContact C-N 3.3Å; C882-Q884 PolarHBondContact O-N 3.47Å; C882-L885 PolarHBondContact O-N 2.91Å; C882-L886 WeakPolarHBondContact O-CG 3.4Å; C882-L886 PolarHBondContact O-N 3.13Å; C882-L886 VanDerWaalsContact O-N 3.09Å |
| 883 | K | 86.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.7 | -47.5 | 172.5 | -72.3 | 173.6 | 177.3 | 157.2 | 0 | 110.6 | L871 N879 N880 L885 L886 I887 L980 K983 M986 L988 | L871-K883 HydrophobicContact CD2-CB 4.39Å; L871-K883 HydrophobicContact CD2-CG 3.53Å; N879-K883 WeakPolarHBondContact O-CG 3.32Å; N879-K883 PolarHBondContact O-N 3.22Å; N879-K883 VanDerWaalsContact OD1-CD 3.27Å; N879-K883 WeakPolarHBondContact OD1-CD 3.23Å; N879-K883 WeakPolarHBondContact OD1-CE 3.38Å; N879-K883 PolarHBondContact OD1-NZ 3.1Å; N880-K883 PolarHBondContact O-N 3.07Å; K883-L885 PolarHBondContact O-N 3.42Å; K883-L886 PolarHBondContact O-N 3.25Å; K883-I887 WeakPolarHBondContact O-CG1 3.39Å; K883-I887 PolarHBondContact O-N 3.29Å; K883-L980 HydrophobicContact CG-CD2 4.3Å; K883-K983 PolarHBondContact NZ-O 3.08Å; K883-M986 PolarHBondContact NZ-O 3.12Å; K883-L988 HydrophobicContact CD-CD1 4.47Å; K883-L988 HydrophobicContact CG-CD1 4.34Å |
| 884 | Q | 86.5 | Confident | 81.7 | Confident | 44 Ų | 44 | 22.7 Ų | 22.7 | 21% | 0.206 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 179.7 | -173.2 | 69.1 | -14.2 | 0 | 0 | 112.7 | N880 H881 C882 L886 I887 N888 N908 | N880-Q884 WeakPolarHBondContact O-CB 3.34Å; N880-Q884 PolarHBondContact O-N 3.24Å; H881-Q884 PolarHBondContact O-N 2.84Å; C882-Q884 VanDerWaalsContact C-N 3.3Å; C882-Q884 PolarHBondContact O-N 3.47Å; Q884-L886 VanDerWaalsContact C-N 3.35Å; Q884-L886 PolarHBondContact O-N 3.29Å; Q884-I887 PolarHBondContact O-N 3.31Å; Q884-N888 WeakPolarHBondContact O-CB 3.37Å; Q884-N888 PolarHBondContact O-N 2.96Å; Q884-N888 PolarHBondContact O-OD1 3.01Å; Q884-N908 PolarHBondContact NE2-ND2 3.14Å; Q884-N908 PolarHBondContact NE2-OD1 3.43Å; Q884-N908 PolarHBondContact OE1-ND2 2.76Å |
| 885 | L | 88.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.7 | -175.9 | 53.4 | 0 | 0 | 0 | 110.9 | V841 T845 V848 L863 S867 H881 C882 K883 I887 N888 L889 | V841-L885 HydrophobicContact CG1-CD2 3.92Å; T845-L885 HydrophobicContact CG2-CB 3.91Å; V848-L885 HydrophobicContact CG2-CD1 3.91Å; L863-L885 HydrophobicContact CD2-CD2 4.41Å; S867-L885 VanDerWaalsContact OG-CD2 3.31Å; S867-L885 WeakPolarHBondContact OG-CD2 3.34Å; H881-L885 WeakPolarHBondContact O-CB 3.46Å; H881-L885 PolarHBondContact O-N 3.44Å; C882-L885 PolarHBondContact O-N 2.91Å; K883-L885 PolarHBondContact O-N 3.42Å; L885-I887 PolarHBondContact O-N 3.35Å; L885-N888 PolarHBondContact O-N 3.45Å; L885-L889 HydrophobicContact CD1-CD1 4.16Å; L885-L889 HydrophobicContact CD1-CG 4.08Å; L885-L889 HydrophobicContact CG-CD1 3.98Å; L885-L889 HydrophobicContact CG-CG 4.38Å; L885-L889 WeakPolarHBondContact O-CB 3.41Å; L885-L889 VanDerWaalsContact O-CG 3.23Å; L885-L889 WeakPolarHBondContact O-CG 3.37Å; L885-L889 PolarHBondContact O-N 3.22Å |
| 886 | L | 87.3 | Confident | 80.8 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.3 | -69.4 | 177 | 0 | 0 | 0 | 112.1 | L864 F868 L871 C882 K883 Q884 L889 A890 L980 | L864-L886 HydrophobicContact CD2-CD2 3.65Å; F868-L886 HydrophobicContact CD2-CD1 4.28Å; F868-L886 HydrophobicContact CD2-CD2 4.18Å; F868-L886 HydrophobicContact CE2-CD1 4.09Å; F868-L886 HydrophobicContact CE2-CD2 3.97Å; L871-L886 HydrophobicContact CD1-CD1 3.96Å; L871-L886 HydrophobicContact CD2-CD1 4.08Å; L871-L886 HydrophobicContact CG-CD1 4.38Å; C882-L886 WeakPolarHBondContact O-CG 3.4Å; C882-L886 PolarHBondContact O-N 3.13Å; C882-L886 VanDerWaalsContact O-N 3.09Å; K883-L886 PolarHBondContact O-N 3.25Å; Q884-L886 VanDerWaalsContact C-N 3.35Å; Q884-L886 PolarHBondContact O-N 3.29Å; L886-L889 PolarHBondContact O-N 3.42Å; L886-A890 WeakPolarHBondContact O-CB 3.28Å; L886-A890 PolarHBondContact O-N 3.5Å; L886-L980 HydrophobicContact CB-CD1 3.83Å; L886-L980 HydrophobicContact CD1-CD1 4.28Å |
| 887 | I | 84.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.2 | -66 | 166.9 | 0 | 0 | 0 | 110.3 | K883 Q884 L885 A890 A891 T977 L980 T981 | K883-I887 WeakPolarHBondContact O-CG1 3.39Å; K883-I887 PolarHBondContact O-N 3.29Å; Q884-I887 PolarHBondContact O-N 3.31Å; L885-I887 PolarHBondContact O-N 3.35Å; I887-A890 PolarHBondContact O-N 2.86Å; I887-A891 WeakPolarHBondContact O-CB 3.43Å; I887-A891 PolarHBondContact O-N 2.68Å; I887-T977 HydrophobicContact CD1-CG2 4.48Å; I887-T977 HydrophobicContact CG1-CG2 4.36Å; I887-T977 HydrophobicContact CG2-CG2 4.14Å; I887-L980 HydrophobicContact CD1-CB 4.14Å; I887-L980 HydrophobicContact CG1-CB 4.31Å; I887-L980 HydrophobicContact CG1-CD1 3.89Å; I887-T981 HydrophobicContact CD1-CG2 4.05Å |
| 888 | N | 85.9 | Confident | 78 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | -179 | -70.2 | -9 | 0 | 0 | 0 | 112.1 | T845 V848 L849 Q884 L885 A891 L892 N908 | T845-N888 PolarHBondContact O-ND2 3.43Å; V848-N888 HydrophobicContact CG1-CB 4.17Å; L849-N888 WeakPolarHBondContact CD1-ND2 3.33Å; L849-N888 WeakPolarHBondContact CD1-OD1 3.28Å; L849-N888 HydrophobicContact CD2-CB 4.05Å; L849-N888 HydrophobicContact CG-CB 4.06Å; Q884-N888 WeakPolarHBondContact O-CB 3.37Å; Q884-N888 PolarHBondContact O-N 2.96Å; Q884-N888 PolarHBondContact O-OD1 3.01Å; L885-N888 PolarHBondContact O-N 3.45Å; N888-A891 PolarHBondContact O-N 3.24Å; N888-L892 WeakPolarHBondContact O-CB 3.49Å; N888-L892 PolarHBondContact O-N 2.93Å; N888-N908 PolarHBondContact OD1-ND2 3.2Å |
| 889 | L | 85.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 174.3 | -68.4 | 169.2 | 0 | 0 | 0 | 111.5 | V848 L860 L863 L864 L885 L886 A891 L892 Y893 Y1018 | V848-L889 HydrophobicContact CG1-CD2 3.95Å; V848-L889 HydrophobicContact CG1-CG 4.48Å; V848-L889 HydrophobicContact CG2-CD2 4.21Å; L860-L889 HydrophobicContact CD1-CD1 4.31Å; L860-L889 HydrophobicContact CD1-CD2 4.31Å; L863-L889 HydrophobicContact CB-CD1 4.05Å; L863-L889 HydrophobicContact CD1-CD2 4.16Å; L864-L889 HydrophobicContact CD2-CD1 4.33Å; L885-L889 HydrophobicContact CD1-CD1 4.16Å; L885-L889 HydrophobicContact CD1-CG 4.08Å; L885-L889 HydrophobicContact CG-CD1 3.98Å; L885-L889 HydrophobicContact CG-CG 4.38Å; L885-L889 WeakPolarHBondContact O-CB 3.41Å; L885-L889 VanDerWaalsContact O-CG 3.23Å; L885-L889 WeakPolarHBondContact O-CG 3.37Å; L885-L889 PolarHBondContact O-N 3.22Å; L886-L889 PolarHBondContact O-N 3.42Å; L889-A891 VanDerWaalsContact C-N 3.31Å; L889-A891 PolarHBondContact O-N 3.19Å; L889-L892 PolarHBondContact O-N 3.07Å; L889-Y893 WeakPolarHBondContact O-CD2 3.32Å; L889-Y893 PolarHBondContact O-N 3.44Å; L889-Y1018 VanDerWaalsContact C-OH 3.3Å; L889-Y1018 WeakPolarHBondContact CB-OH 3.48Å |
| 890 | A | 81.7 | Confident | 75.1 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L886 I887 G894 F1017 Y1018 | L886-A890 WeakPolarHBondContact O-CB 3.28Å; L886-A890 PolarHBondContact O-N 3.5Å; I887-A890 PolarHBondContact O-N 2.86Å; A890-G894 VanDerWaalsContact O-CA 3.29Å; A890-G894 WeakPolarHBondContact O-CA 3.11Å; A890-G894 PolarHBondContact O-N 3Å; A890-F1017 HydrophobicContact CB-CE1 4.21Å; A890-F1017 HydrophobicContact CB-CZ 4.45Å; A890-F1017 WeakPolarHBondContact O-CZ 3.5Å; A890-Y1018 PolarHBondContact N-OH 3.1Å |
| 891 | A | 78.4 | Confident | 73.3 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I887 N888 L889 Y893 S895 | I887-A891 WeakPolarHBondContact O-CB 3.43Å; I887-A891 PolarHBondContact O-N 2.68Å; N888-A891 PolarHBondContact O-N 3.24Å; L889-A891 VanDerWaalsContact C-N 3.31Å; L889-A891 PolarHBondContact O-N 3.19Å; A891-Y893 PolarHBondContact O-N 3.38Å; A891-S895 VanDerWaalsContact O-CB 3.3Å; A891-S895 WeakPolarHBondContact O-CB 3.34Å; A891-S895 PolarHBondContact O-N 3.39Å |
| 892 | L | 78.5 | Confident | 71.6 | Confident | 38 Ų | 38 | 36.3 Ų | 36.3 | 20% | 0.199 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.9 | -55 | 178.2 | -178.9 | 71.4 | 0 | 0 | 0 | 110.7 | V848 W856 N888 L889 S895 | V848-L892 HydrophobicContact CG1-CB 4.4Å; V848-L892 HydrophobicContact CG1-CD2 4.23Å; W856-L892 HydrophobicContact CB-CD2 4.01Å; W856-L892 VanDerWaalsContact CD1-CD2 3.49Å; W856-L892 HydrophobicContact CD2-CD2 4.43Å; W856-L892 HydrophobicContact CG-CD2 3.7Å; N888-L892 WeakPolarHBondContact O-CB 3.49Å; N888-L892 PolarHBondContact O-N 2.93Å; L889-L892 PolarHBondContact O-N 3.07Å; L892-S895 PolarHBondContact O-OG 3.35Å |
| 893 | Y | 77.6 | Confident | 69.6 | Low | 33 Ų | 33 | 40.4 Ų | 40.4 | 13% | 0.129 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -81.5 | -30.4 | -178 | -72 | -73.5 | 0 | 0 | 0 | 113.3 | W856 S857 L860 L889 A891 S895 Y1018 V1021 L1022 | W856-Y893 HydrophobicContact CB-CE2 4.43Å; W856-Y893 VanDerWaalsContact CB-OH 3.3Å; W856-Y893 WeakPolarHBondContact CB-OH 3.35Å; S857-Y893 WeakPolarHBondContact CA-OH 3.24Å; S857-Y893 PolarHBondContact N-OH 3.05Å; L860-Y893 HydrophobicContact CD1-CE2 4.28Å; L860-Y893 HydrophobicContact CD2-CE2 4.33Å; L889-Y893 WeakPolarHBondContact O-CD2 3.32Å; L889-Y893 PolarHBondContact O-N 3.44Å; A891-Y893 PolarHBondContact O-N 3.38Å; Y893-S895 VanDerWaalsContact C-N 3.32Å; Y893-S895 PolarHBondContact O-N 2.84Å; Y893-Y1018 HydrophobicContact CD2-CD1 4.39Å; Y893-Y1018 AromaticContact CD2-CE1 3.66Å; Y893-Y1018 HydrophobicContact CD2-CE1 3.66Å; Y893-Y1018 HydrophobicContact CE2-CE1 4.26Å; Y893-Y1018 HydrophobicContact CG-CE1 4.23Å; Y893-V1021 HydrophobicContact CD1-CG1 4.39Å; Y893-L1022 HydrophobicContact CD1-CD1 3.93Å; Y893-L1022 HydrophobicContact CD1-CD2 4.36Å; Y893-L1022 HydrophobicContact CD1-CG 4.27Å; Y893-L1022 HydrophobicContact CE1-CD1 3.67Å; Y893-L1022 HydrophobicContact CE1-CD2 4.06Å; Y893-L1022 HydrophobicContact CE1-CG 4.24Å; Y893-L1022 HydrophobicContact CE2-CD1 4.48Å; Y893-L1022 HydrophobicContact CG-CD1 4.45Å |
| 894 | G | 70.9 | Confident | 67.6 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.4 | -19.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A890 R896 S897 I898 | A890-G894 VanDerWaalsContact O-CA 3.29Å; A890-G894 WeakPolarHBondContact O-CA 3.11Å; A890-G894 PolarHBondContact O-N 3Å; G894-R896 PolarHBondContact O-N 3.48Å; G894-R896 VanDerWaalsContact O-N 3.14Å; G894-S897 WeakPolarHBondContact O-CA 3.17Å; G894-S897 WeakPolarHBondContact O-CB 3.22Å; G894-S897 PolarHBondContact O-N 3.37Å; G894-I898 PolarHBondContact O-N 3.14Å; G894-I898 VanDerWaalsContact O-N 3.13Å |
| 895 | S | 63.3 | Low | 65.7 | Low | 44 Ų | 44 | 42.1 Ų | 42.1 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.6 | -177.7 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | A891 L892 Y893 S897 | A891-S895 VanDerWaalsContact O-CB 3.3Å; A891-S895 WeakPolarHBondContact O-CB 3.34Å; A891-S895 PolarHBondContact O-N 3.39Å; L892-S895 PolarHBondContact O-OG 3.35Å; Y893-S895 VanDerWaalsContact C-N 3.32Å; Y893-S895 PolarHBondContact O-N 2.84Å; S895-S897 PolarHBondContact O-N 3.01Å |
| 896 | R | 57.9 | Low | 63.6 | Low | 246 Ų | 246 | 49.6 Ų | 49.6 | 93% | 0.928 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.8 | 172.5 | -71.4 | -175.5 | 178.3 | 176.3 | 0.9 | 113.2 | G894 | G894-R896 PolarHBondContact O-N 3.48Å; G894-R896 VanDerWaalsContact O-N 3.14Å |
| 897 | S | 50.8 | Low | 61.5 | Low | 65 Ų | 65 | 54.1 Ų | 54.1 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -21 | -171.1 | 163.7 | 0 | 0 | 0 | 0 | 114.2 | G894 S895 | G894-S897 WeakPolarHBondContact O-CA 3.17Å; G894-S897 WeakPolarHBondContact O-CB 3.22Å; G894-S897 PolarHBondContact O-N 3.37Å; S895-S897 PolarHBondContact O-N 3.01Å |
| 898 | I | 48.1 | Very low | 59.5 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | trans | -143.9 | 115.3 | -165.3 | -33 | 174.4 | 0 | 0 | 0 | 112.8 | G894 G900 L901 S970 A973 | G894-I898 PolarHBondContact O-N 3.14Å; G894-I898 VanDerWaalsContact O-N 3.13Å; I898-G900 PolarHBondContact O-N 3.46Å; I898-L901 HydrophobicContact CD1-CD1 3.66Å; I898-L901 HydrophobicContact CD1-CG 4.27Å; I898-S970 WeakPolarHBondContact CD1-O 3.25Å; I898-S970 VanDerWaalsContact CG1-CB 3.46Å; I898-A973 HydrophobicContact CD1-CB 3.88Å | ||
| 899 | S | 53.3 | Low | 57.4 | Low | 111 Ų | 111 | 57.9 Ų | 57.9 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -66.6 | -18.8 | 172.3 | -51.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 900 | G | 50.8 | Low | 55 | Low | 45 Ų | 45 | 67 Ų | 67 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -79.9 | -32 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I898 N902 V903 | I898-G900 PolarHBondContact O-N 3.46Å; G900-N902 PolarHBondContact O-N 3.2Å; G900-V903 VanDerWaalsContact O-CB 3.31Å; G900-V903 WeakPolarHBondContact O-CB 3.32Å; G900-V903 PolarHBondContact O-N 3.45Å |
| 901 | L | 46.7 | Very low | 52.9 | Low | 9 Ų | 9 | 71.2 Ų | 71.2 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.8 | -9.2 | 175.1 | -78.4 | 171.3 | 0 | 0 | 0 | 112.8 | I898 V903 T904 R905 A973 | I898-L901 HydrophobicContact CD1-CD1 3.66Å; I898-L901 HydrophobicContact CD1-CG 4.27Å; L901-V903 PolarHBondContact O-N 3.38Å; L901-T904 WeakPolarHBondContact CA-OG1 3.38Å; L901-T904 HydrophobicContact CD2-CG2 4.3Å; L901-T904 WeakPolarHBondContact CD2-OG1 3.46Å; L901-T904 PolarHBondContact O-N 2.94Å; L901-T904 PolarHBondContact O-OG1 2.93Å; L901-R905 PolarHBondContact O-N 3.33Å; L901-A973 HydrophobicContact CD1-CB 3.99Å |
| 902 | N | 52.4 | Low | 50.9 | Low | 74 Ų | 74 | 75.4 Ų | 75.4 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -25.5 | 165.8 | -71.2 | -22.2 | 0 | 0 | 0 | 111.1 | G900 R905 F906 | G900-N902 PolarHBondContact O-N 3.2Å; N902-R905 PolarHBondContact O-N 3Å; N902-F906 VanDerWaalsContact O-CB 3.26Å; N902-F906 WeakPolarHBondContact O-CB 3.39Å; N902-F906 WeakPolarHBondContact O-CD2 3.39Å; N902-F906 PolarHBondContact O-N 3.28Å |
| 903 | V | 45.9 | Very low | 48.6 | Very low | 86 Ų | 86 | 79.2 Ų | 79.2 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 111 | G900 L901 F906 L907 | G900-V903 VanDerWaalsContact O-CB 3.31Å; G900-V903 WeakPolarHBondContact O-CB 3.32Å; G900-V903 PolarHBondContact O-N 3.45Å; L901-V903 PolarHBondContact O-N 3.38Å; V903-F906 CarbonylContact O-C 3.57Å; V903-F906 PolarHBondContact O-N 3.23Å; V903-L907 HydrophobicContact CG1-CD1 3.88Å; V903-L907 HydrophobicContact CG1-CG 4.14Å; V903-L907 WeakPolarHBondContact O-CB 3.47Å; V903-L907 VanDerWaalsContact O-CG 3.25Å; V903-L907 WeakPolarHBondContact O-CG 3.47Å; V903-L907 PolarHBondContact O-N 3.07Å |
| 904 | T | 45.6 | Very low | 46.1 | Very low | 35 Ų | 35 | 81.7 Ų | 81.7 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 171.4 | 44 | 0 | 0 | 0 | 0 | 111.7 | L901 F906 L907 N908 T977 | L901-T904 WeakPolarHBondContact CA-OG1 3.38Å; L901-T904 HydrophobicContact CD2-CG2 4.3Å; L901-T904 WeakPolarHBondContact CD2-OG1 3.46Å; L901-T904 PolarHBondContact O-N 2.94Å; L901-T904 PolarHBondContact O-OG1 2.93Å; T904-F906 VanDerWaalsContact C-N 3.3Å; T904-F906 PolarHBondContact O-N 3.21Å; T904-L907 PolarHBondContact O-N 2.85Å; T904-N908 WeakPolarHBondContact O-CB 3.26Å; T904-N908 PolarHBondContact O-N 2.9Å; T904-T977 HydrophobicContact CG2-CG2 4.22Å |
| 905 | R | 46.5 | Very low | 44.1 | Very low | 51 Ų | 51 | 89.6 Ų | 89.6 | 19% | 0.192 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 166 | -86.3 | -172.8 | 173.3 | 141.7 | -7.7 | 111.6 | L849 L901 N902 T909 | L849-R905 HydrophobicContact CD2-CG 4.42Å; L901-R905 PolarHBondContact O-N 3.33Å; N902-R905 PolarHBondContact O-N 3Å; R905-T909 WeakPolarHBondContact O-CB 3.48Å; R905-T909 PolarHBondContact O-N 2.67Å; R905-T909 PolarHBondContact O-OG1 3.23Å |
| 906 | F | 43.3 | Very low | 42.4 | Very low | 157 Ų | 157 | 93.1 Ų | 93.1 | 69% | 0.689 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.1 | -36.3 | 179.4 | -105.6 | -83.8 | 0 | 0 | 0 | 113.4 | N902 V903 T904 T909 R910 | N902-F906 VanDerWaalsContact O-CB 3.26Å; N902-F906 WeakPolarHBondContact O-CB 3.39Å; N902-F906 WeakPolarHBondContact O-CD2 3.39Å; N902-F906 PolarHBondContact O-N 3.28Å; V903-F906 CarbonylContact O-C 3.57Å; V903-F906 PolarHBondContact O-N 3.23Å; T904-F906 VanDerWaalsContact C-N 3.3Å; T904-F906 PolarHBondContact O-N 3.21Å; F906-T909 VanDerWaalsContact CA-OG1 3.31Å; F906-T909 WeakPolarHBondContact CA-OG1 3.37Å; F906-T909 PolarHBondContact O-OG1 2.87Å; F906-R910 PolarHBondContact O-N 3.12Å |
| 907 | L | 44.2 | Very low | 40.8 | Very low | 101 Ų | 101 | 87.3 Ų | 87.3 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.3 | -40.8 | 177.7 | -71.6 | 174 | 0 | 0 | 0 | 110.8 | V903 T904 R910 | V903-L907 HydrophobicContact CG1-CD1 3.88Å; V903-L907 HydrophobicContact CG1-CG 4.14Å; V903-L907 WeakPolarHBondContact O-CB 3.47Å; V903-L907 VanDerWaalsContact O-CG 3.25Å; V903-L907 WeakPolarHBondContact O-CG 3.47Å; V903-L907 PolarHBondContact O-N 3.07Å; T904-L907 PolarHBondContact O-N 2.85Å; L907-R910 VanDerWaalsContact O-CB 3.32Å; L907-R910 WeakPolarHBondContact O-CB 3.19Å; L907-R910 PolarHBondContact O-N 3.29Å |
| 908 | N | 42.9 | Very low | 39.6 | Very low | 36 Ų | 36 | 90.1 Ų | 90.1 | 19% | 0.193 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 173.8 | -81.4 | -17.4 | 0 | 0 | 0 | 111.8 | Q884 N888 T904 R910 S911 | Q884-N908 PolarHBondContact NE2-ND2 3.14Å; Q884-N908 PolarHBondContact NE2-OD1 3.43Å; Q884-N908 PolarHBondContact OE1-ND2 2.76Å; N888-N908 PolarHBondContact OD1-ND2 3.2Å; T904-N908 WeakPolarHBondContact O-CB 3.26Å; T904-N908 PolarHBondContact O-N 2.9Å; N908-R910 PolarHBondContact O-N 3.17Å; N908-S911 PolarHBondContact O-N 2.76Å; N908-S911 PolarHBondContact O-OG 3.33Å |
| 909 | T | 40 | Very low | 38.7 | Very low | 54 Ų | 54 | 94.6 Ų | 94.6 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -22 | 171.6 | 32.6 | 0 | 0 | 0 | 0 | 112.5 | R905 F906 S911 I912 W913 | R905-T909 WeakPolarHBondContact O-CB 3.48Å; R905-T909 PolarHBondContact O-N 2.67Å; R905-T909 PolarHBondContact O-OG1 3.23Å; F906-T909 VanDerWaalsContact CA-OG1 3.31Å; F906-T909 WeakPolarHBondContact CA-OG1 3.37Å; F906-T909 PolarHBondContact O-OG1 2.87Å; T909-S911 VanDerWaalsContact C-N 3.26Å; T909-S911 PolarHBondContact O-N 2.86Å; T909-I912 PolarHBondContact O-N 3.4Å; T909-W913 WeakPolarHBondContact O-CA 3.37Å; T909-W913 VanDerWaalsContact O-CB 3.23Å; T909-W913 WeakPolarHBondContact O-CB 3.14Å; T909-W913 PolarHBondContact O-N 3.43Å |
| 910 | R | 35.4 | Very low | 37.3 | Very low | 190 Ų | 190 | 99.2 Ų | 99.2 | 72% | 0.717 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -26.5 | 174.8 | -104.1 | -177.1 | 172.2 | -171.6 | -2.3 | 114 | F906 L907 N908 I912 S914 | F906-R910 PolarHBondContact O-N 3.12Å; L907-R910 VanDerWaalsContact O-CB 3.32Å; L907-R910 WeakPolarHBondContact O-CB 3.19Å; L907-R910 PolarHBondContact O-N 3.29Å; N908-R910 PolarHBondContact O-N 3.17Å; R910-I912 VanDerWaalsContact C-N 3.34Å; R910-S914 PolarHBondContact O-N 2.92Å |
| 911 | S | 39.5 | Very low | 35.9 | Very low | 91 Ų | 91 | 109 Ų | 109 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.3 | -31.8 | 174.7 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | N908 T909 | N908-S911 PolarHBondContact O-N 2.76Å; N908-S911 PolarHBondContact O-OG 3.33Å; T909-S911 VanDerWaalsContact C-N 3.26Å; T909-S911 PolarHBondContact O-N 2.86Å |
| 912 | I | 36.4 | Very low | 34.8 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 48% | 0.477 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -93.8 | -26.1 | 179 | -62.5 | 168.3 | 0 | 0 | 0 | 111.7 | T909 R910 | T909-I912 PolarHBondContact O-N 3.4Å; R910-I912 VanDerWaalsContact C-N 3.34Å |
| 913 | W | 29.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 44% | 0.443 | 61% | 0.606 | S | S | . | * | trans | -119.7 | 36.6 | -170 | -57.2 | 75.7 | 0 | 0 | 0 | 112.6 | T909 H915 L918 | T909-W913 WeakPolarHBondContact O-CA 3.37Å; T909-W913 VanDerWaalsContact O-CB 3.23Å; T909-W913 WeakPolarHBondContact O-CB 3.14Å; T909-W913 PolarHBondContact O-N 3.43Å; W913-H915 PolarHBondContact O-N 3.27Å; W913-L918 HydrophobicContact CH2-CD1 3.58Å; W913-L918 HydrophobicContact CZ3-CD1 3.59Å; W913-L918 HydrophobicContact CZ3-CG 4.31Å | ||
| 914 | S | 25.8 | Very low | 32.4 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | trans | -61.8 | 85 | 150.7 | 57.2 | 0 | 0 | 0 | 0 | 107.6 | R910 | R910-S914 PolarHBondContact O-N 2.92Š| ||
| 915 | H | 27.2 | Very low | 31.5 | Very low | 166 Ų | 166 | 127 Ų | 127 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 150.2 | 118.5 | 149.4 | -78.4 | -66.8 | 0 | 0 | 0 | 110.6 | W913 | W913-H915 PolarHBondContact O-N 3.27Š|
| 916 | P | 28.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | trans | -84.7 | 123.9 | -161.9 | 31.9 | -33.1 | 0 | 0 | 0 | 112.5 | ||||
| 917 | C | 22.9 | Very low | 29.5 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 83% | 0.831 | 68% | 0.682 | S | S | * | * | trans | -167.5 | 94.6 | 153.8 | -99.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 918 | L | 26.3 | Very low | 28.6 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | trans | -145.4 | 130.4 | 156.9 | -96.1 | 171.1 | 0 | 0 | 0 | 109.6 | W913 | W913-L918 HydrophobicContact CH2-CD1 3.58Å; W913-L918 HydrophobicContact CZ3-CD1 3.59Å; W913-L918 HydrophobicContact CZ3-CG 4.31Å | ||
| 919 | P | 29.2 | Very low | 27.8 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -81.3 | 131.1 | 179.8 | 31.3 | -29.5 | 0 | 0 | 0 | 110.8 | R921 | P919-R921 PolarHBondContact O-N 2.99Å; P919-R921 VanDerWaalsContact O-N 3.11Å | ||
| 920 | K | 24.4 | Very low | 27.1 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -51.4 | 111.3 | 175.9 | -71.5 | 173.8 | 176.1 | 176.4 | 0 | 110.7 | S922 | K920-S922 PolarHBondContact O-N 2.83Š| ||
| 921 | R | 22.3 | Very low | 26.6 | Very low | 249 Ų | 249 | 138.1 Ų | 138.1 | 94% | 0.94 | 75% | 0.746 | S | S | * | * | trans | -76.5 | 111.5 | 164.1 | -147.9 | 173.8 | -170.3 | 177.3 | 2.2 | 107.5 | P919 N923 | P919-R921 PolarHBondContact O-N 2.99Å; P919-R921 VanDerWaalsContact O-N 3.11Å; R921-N923 PolarHBondContact O-N 3.39Å | ||
| 922 | S | 22.3 | Very low | 25.8 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -53.1 | 119.5 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | K920 | K920-S922 PolarHBondContact O-N 2.83Š| ||
| 923 | N | 24.7 | Very low | 25.1 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | -141.7 | 121.1 | 150.1 | -96.8 | -16.5 | 0 | 0 | 0 | 108.5 | R921 I925 | R921-N923 PolarHBondContact O-N 3.39Å; N923-I925 PolarHBondContact O-N 3.38Å | ||
| 924 | D | 24.3 | Very low | 24.9 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -63 | 107.1 | -176.5 | -69.8 | -55.5 | 0 | 0 | 0 | 111.6 | ||||
| 925 | I | 26.5 | Very low | 24.9 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -126.1 | 83.6 | 153.5 | -58.3 | -179.5 | 0 | 0 | 0 | 107.1 | N923 G927 | N923-I925 PolarHBondContact O-N 3.38Å; I925-G927 PolarHBondContact O-N 3.25Å | ||
| 926 | R | 22.6 | Very low | 24.7 | Very low | 257 Ų | 257 | 143.9 Ų | 143.9 | 97% | 0.97 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 78 | 168.8 | -167 | 179.1 | -171.5 | -170.2 | 2.6 | 108.2 | ||||
| 927 | G | 25.3 | Very low | 24.6 | Very low | 53 Ų | 53 | 143.7 Ų | 143.7 | 55% | 0.546 | 81% | 0.806 | S | S | . | * | trans | -118.3 | 102.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I925 I929 | I925-G927 PolarHBondContact O-N 3.25Å; G927-I929 PolarHBondContact O-N 2.95Å; G927-I929 VanDerWaalsContact O-N 3.11Å | ||
| 928 | S | 25.1 | Very low | 24.8 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -49.5 | 106 | -180 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 929 | I | 26.2 | Very low | 24.7 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -109.8 | 100.7 | 157.9 | -60.5 | -179.5 | 0 | 0 | 0 | 106.5 | G927 | G927-I929 PolarHBondContact O-N 2.95Å; G927-I929 VanDerWaalsContact O-N 3.11Å | ||
| 930 | Q | 25.3 | Very low | 24.4 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -58.5 | 136.5 | 169 | -82.6 | 171.3 | -27 | 0 | 0 | 109.2 | F932 | Q930-F932 PolarHBondContact O-N 3.49Š| ||
| 931 | G | 23.2 | Very low | 24.5 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -55.2 | 130.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 932 | F | 23.2 | Very low | 24.6 | Very low | 206 Ų | 206 | 131 Ų | 131 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -107.7 | 108.5 | 150.1 | -101.6 | -89.5 | 0 | 0 | 0 | 106.6 | Q930 A934 | Q930-F932 PolarHBondContact O-N 3.49Å; F932-A934 VanDerWaalsContact C-N 3.3Å; F932-A934 PolarHBondContact O-N 2.94Å | ||
| 933 | D | 22.4 | Very low | 24.7 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -63.5 | 91.1 | 170.4 | -70 | -43.4 | 0 | 0 | 0 | 108.6 | A935 | D933-A935 PolarHBondContact O-N 2.99Å; D933-A935 VanDerWaalsContact O-N 3.15Å | ||
| 934 | A | 25.5 | Very low | 24.7 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -76.3 | 98.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | F932 S936 | F932-A934 VanDerWaalsContact C-N 3.3Å; F932-A934 PolarHBondContact O-N 2.94Å; A934-S936 PolarHBondContact O-N 3.47Å | ||
| 935 | A | 24.7 | Very low | 24.6 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -50.7 | 122.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | D933 S937 | D933-A935 PolarHBondContact O-N 2.99Å; D933-A935 VanDerWaalsContact O-N 3.15Å; A935-S937 PolarHBondContact O-N 2.83Å; A935-S937 VanDerWaalsContact O-N 3.16Å | ||
| 936 | S | 24.2 | Very low | 24.7 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -41.8 | 111 | 167.6 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | A934 | A934-S936 PolarHBondContact O-N 3.47Š| ||
| 937 | S | 25.5 | Very low | 25 | Very low | 114 Ų | 114 | 118.2 Ų | 118.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -117.3 | 91.8 | 161 | -55.7 | 0 | 0 | 0 | 0 | 106.6 | A935 | A935-S937 PolarHBondContact O-N 2.83Å; A935-S937 VanDerWaalsContact O-N 3.16Å | ||
| 938 | A | 26.9 | Very low | 24.9 | Very low | 93 Ų | 93 | 121 Ų | 121 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -65.7 | 136.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S940 | A938-S940 PolarHBondContact O-N 2.77Š| ||
| 939 | S | 24.2 | Very low | 25.1 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -60.5 | 106.7 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 940 | S | 24.2 | Very low | 25 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -101.1 | 97.5 | 156.3 | 57 | 0 | 0 | 0 | 0 | 107.8 | A938 V942 | A938-S940 PolarHBondContact O-N 2.77Å; S940-V942 PolarHBondContact O-N 2.9Å | ||
| 941 | T | 26 | Very low | 25.3 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -71 | 111.4 | 170.7 | 40.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 942 | V | 25 | Very low | 25.3 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -96.6 | 123.4 | 168.8 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | S940 | S940-V942 PolarHBondContact O-N 2.9Š| ||
| 943 | S | 24.1 | Very low | 25.5 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 133.3 | 170.1 | -60.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 944 | C | 24.6 | Very low | 25.9 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -121 | 108.2 | 170.4 | -66.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 945 | D | 22.7 | Very low | 26 | Very low | 151 Ų | 151 | 117.8 Ų | 117.8 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -84.6 | 138.1 | 159 | -97.3 | -28.1 | 0 | 0 | 0 | 109.9 | ||||
| 946 | S | 28.3 | Very low | 26.7 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 33.8 | 116.4 | 153.3 | 58.8 | 0 | 0 | 0 | 0 | 120.5 | ||
| 947 | G | 28 | Very low | 27.8 | Very low | 83 Ų | 83 | 114.7 Ų | 114.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 105.3 | 70.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 948 | C | 22.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 111.5 Ų | 111.5 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | -149.1 | 91.8 | 155.9 | -156.3 | 0 | 0 | 0 | 0 | 110.5 | L950 | C948-L950 PolarHBondContact O-N 3.48Š| ||
| 949 | Q | 30.8 | Very low | 30.6 | Very low | 193 Ų | 193 | 110.4 Ų | 110.4 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -65.3 | 107.2 | 150.9 | -69 | -175.4 | 7.8 | 0 | 0 | 106 | ||||
| 950 | L | 23.7 | Very low | 32.2 | Very low | 135 Ų | 135 | 113.8 Ų | 113.8 | 71% | 0.707 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -178 | 117.7 | 150.5 | -95.4 | 157.7 | 0 | 0 | 0 | 108.7 | C948 C952 | C948-L950 PolarHBondContact O-N 3.48Å; L950-C952 PolarHBondContact O-N 3.16Å; L950-C952 PolarHBondContact O-SG 2.96Å |
| 951 | S | 30.4 | Very low | 34.1 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -2.2 | 86.4 | 167 | 61.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 952 | C | 23.7 | Very low | 35.9 | Very low | 112 Ų | 112 | 107.5 Ų | 107.5 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | trans | -100.8 | 95.8 | 162.4 | -63.4 | 0 | 0 | 0 | 0 | 109.5 | L950 G954 | L950-C952 PolarHBondContact O-N 3.16Å; L950-C952 PolarHBondContact O-SG 2.96Å; C952-G954 PolarHBondContact O-N 3.46Å | ||
| 953 | Q | 28.2 | Very low | 38 | Very low | 202 Ų | 202 | 107.1 Ų | 107.1 | 94% | 0.944 | 65% | 0.649 | S | S | * | * | trans | -66.2 | 121.7 | 152.8 | -74.6 | -179.5 | 1.8 | 0 | 0 | 107.3 | ||||
| 954 | G | 29.8 | Very low | 40.2 | Very low | 86 Ų | 86 | 105.7 Ų | 105.7 | 89% | 0.887 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 107.4 | 48.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | C952 | C952-G954 PolarHBondContact O-N 3.46Š|
| 955 | G | 28.9 | Very low | 42.4 | Very low | 67 Ų | 67 | 106.1 Ų | 106.1 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | trans | -155.5 | 108.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110 | C957 | G955-C957 PolarHBondContact O-N 2.96Š| ||
| 956 | S | 39.1 | Very low | 44.8 | Very low | 75 Ų | 75 | 100.6 Ų | 100.6 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | trans | -72.7 | 89.6 | -168.4 | 167.7 | 0 | 0 | 0 | 0 | 112.3 | P958 R961 | S956-P958 WeakPolarHBondContact O-CD 3.3Å; S956-R961 PolarHBondContact OG-NE 2.87Å; S956-R961 PolarHBondContact OG-NH2 2.67Å | ||
| 957 | C | 46.1 | Very low | 46.9 | Very low | 66 Ų | 66 | 103 Ų | 103 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | trans | -61.5 | 119.7 | 167.1 | -156.2 | 0 | 0 | 0 | 0 | 109.7 | G955 E959 R960 | G955-C957 PolarHBondContact O-N 2.96Å; C957-E959 VanDerWaalsContact C-N 3.27Å; C957-E959 PolarHBondContact O-N 3.41Å; C957-R960 WeakPolarHBondContact O-CB 3.16Å; C957-R960 PolarHBondContact O-N 3.29Å | ||
| 958 | P | 54 | Low | 49.2 | Very low | 47 Ų | 47 | 102.9 Ų | 102.9 | 31% | 0.305 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.6 | -30.8 | -171.8 | 20.1 | -29.6 | 0 | 0 | 0 | 113.3 | S956 R960 R961 | S956-P958 WeakPolarHBondContact O-CD 3.3Å; P958-R960 PolarHBondContact O-N 3.4Å; P958-R961 WeakPolarHBondContact O-CB 3.21Å; P958-R961 PolarHBondContact O-N 3.35Å |
| 959 | E | 57.4 | Low | 51.9 | Low | 70 Ų | 70 | 98.5 Ų | 98.5 | 33% | 0.327 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -34.1 | 173.9 | -68.5 | 178.8 | 167.6 | 0 | 0 | 112.1 | C957 R961 L962 F963 F979 K983 | C957-E959 VanDerWaalsContact C-N 3.27Å; C957-E959 PolarHBondContact O-N 3.41Å; E959-R961 VanDerWaalsContact C-N 3.3Å; E959-R961 PolarHBondContact O-N 3.42Å; E959-L962 PolarHBondContact O-N 3.38Å; E959-F963 VanDerWaalsContact O-CD2 3.26Å; E959-F963 WeakPolarHBondContact O-CD2 3.43Å; E959-F979 HydrophobicContact CG-CE2 4.43Å; E959-K983 WeakPolarHBondContact OE1-CE 3.47Å; E959-K983 IonicContact OE1-NZ 3.26Å; E959-K983 PolarHBondContact OE1-NZ 3.5Å |
| 960 | R | 59.4 | Low | 54 | Low | 185 Ų | 185 | 90.8 Ų | 90.8 | 70% | 0.698 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -28.1 | 174.8 | -76 | -172.2 | -177.6 | 173.6 | 2.7 | 112.8 | C957 P958 L962 F963 | C957-R960 WeakPolarHBondContact O-CB 3.16Å; C957-R960 PolarHBondContact O-N 3.29Å; P958-R960 PolarHBondContact O-N 3.4Å; R960-L962 VanDerWaalsContact C-N 3.27Å; R960-L962 PolarHBondContact O-N 3.11Å; R960-F963 PolarHBondContact O-N 3.46Å; R960-F963 VanDerWaalsContact O-N 3.07Å |
| 961 | R | 62.7 | Low | 56.6 | Low | 97 Ų | 97 | 88.5 Ų | 88.5 | 37% | 0.366 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -33 | 176.9 | -71.4 | -172.1 | -178.4 | -178.3 | -2.8 | 111.3 | S956 P958 E959 F963 V964 F966 D978 | S956-R961 PolarHBondContact OG-NE 2.87Å; S956-R961 PolarHBondContact OG-NH2 2.67Å; P958-R961 WeakPolarHBondContact O-CB 3.21Å; P958-R961 PolarHBondContact O-N 3.35Å; E959-R961 VanDerWaalsContact C-N 3.3Å; E959-R961 PolarHBondContact O-N 3.42Å; R961-F963 PolarHBondContact O-N 3.28Å; R961-V964 PolarHBondContact O-N 3.19Å; R961-V964 VanDerWaalsContact O-N 3.11Å; R961-F966 HydrophobicContact CB-CZ 4.37Å; R961-F966 WeakPolarHBondContact O-CE2 3.45Å; R961-D978 IonicContact CZ-OD2 2.68Å; R961-D978 IonicContact NH1-OD2 3.52Å; R961-D978 PolarHBondContact NH1-OD2 2.86Å |
| 962 | L | 63.8 | Low | 59 | Low | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.005 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.3 | -22.2 | 173.4 | -71.2 | 177.6 | 0 | 0 | 0 | 112.8 | E959 R960 V964 F979 L1006 K1009 L1010 H1013 | E959-L962 PolarHBondContact O-N 3.38Å; R960-L962 VanDerWaalsContact C-N 3.27Å; R960-L962 PolarHBondContact O-N 3.11Å; L962-V964 VanDerWaalsContact C-N 3.35Å; L962-F979 HydrophobicContact CD1-CB 4.35Å; L962-F979 HydrophobicContact CD1-CD1 3.97Å; L962-F979 HydrophobicContact CD1-CD2 3.26Å; L962-F979 HydrophobicContact CD1-CE1 4.04Å; L962-F979 HydrophobicContact CD1-CE2 3.34Å; L962-F979 HydrophobicContact CD1-CG 3.57Å; L962-F979 HydrophobicContact CD1-CZ 3.74Å; L962-F979 HydrophobicContact CD2-CB 4.18Å; L962-F979 HydrophobicContact CD2-CG 4.17Å; L962-F979 HydrophobicContact CG-CB 4.28Å; L962-F979 HydrophobicContact CG-CD2 3.92Å; L962-F979 HydrophobicContact CG-CE2 4.45Å; L962-F979 HydrophobicContact CG-CG 4.03Å; L962-L1006 HydrophobicContact CD1-CD2 4.28Å; L962-K1009 HydrophobicContact CB-CG 4.35Å; L962-K1009 WeakPolarHBondContact O-CE 3.25Å; L962-K1009 WeakPolarHBondContact O-CG 3.42Å; L962-L1010 HydrophobicContact CD2-CD1 4.25Å; L962-H1013 PolarHBondContact O-CD2 3.45Å; L962-H1013 PolarHBondContact O-NE2 3Å |
| 963 | F | 69.4 | Low | 61.7 | Low | 113 Ų | 113 | 77.6 Ų | 77.6 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.7 | 177.2 | -66.4 | -82.8 | 0 | 0 | 0 | 113.7 | E959 R960 R961 V1005 L1006 | E959-F963 VanDerWaalsContact O-CD2 3.26Å; E959-F963 WeakPolarHBondContact O-CD2 3.43Å; R960-F963 PolarHBondContact O-N 3.46Å; R960-F963 VanDerWaalsContact O-N 3.07Å; R961-F963 PolarHBondContact O-N 3.28Å; F963-V1005 HydrophobicContact CE1-CG1 4.19Å; F963-V1005 HydrophobicContact CZ-CG1 4.41Å; F963-L1006 HydrophobicContact CE2-CD2 4.3Å; F963-L1006 HydrophobicContact CZ-CD2 4.44Å |
| 964 | V | 71 | Confident | 64.1 | Low | 73 Ų | 73 | 70.7 Ų | 70.7 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -84.2 | 129.2 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | R961 L962 F966 H1013 | R961-V964 PolarHBondContact O-N 3.19Å; R961-V964 VanDerWaalsContact O-N 3.11Å; L962-V964 VanDerWaalsContact C-N 3.35Å; V964-F966 HydrophobicContact CB-CE1 4.18Å; V964-F966 HydrophobicContact CB-CE2 3.99Å; V964-F966 HydrophobicContact CB-CZ 3.75Å; V964-F966 HydrophobicContact CG1-CD1 4.22Å; V964-F966 HydrophobicContact CG1-CE1 3.86Å; V964-F966 HydrophobicContact CG1-CE2 4.43Å; V964-F966 HydrophobicContact CG1-CZ 3.98Å; V964-F966 VanDerWaalsContact O-CD2 3.28Å; V964-F966 WeakPolarHBondContact O-CD2 3.3Å; V964-F966 WeakPolarHBondContact O-CE2 3.18Å; V964-F966 PolarHBondContact O-N 3.49Å; V964-H1013 PolarHBondContact O-CE1 3Å |
| 965 | D | 70.9 | Confident | 66.5 | Low | 128 Ų | 128 | 66.9 Ų | 66.9 | 68% | 0.684 | 36% | 0.358 | S | S | * | . | trans | -82.1 | 105.8 | 174 | -70.4 | -27.6 | 0 | 0 | 0 | 109.1 | K1009 | D965-K1009 IonicContact OD1-NZ 3.93Å; D965-K1009 PolarHBondContact OD1-NZ 3.37Å | ||
| 966 | F | 73 | Confident | 69 | Low | 35 Ų | 35 | 63.9 Ų | 63.9 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | trans | -88 | 129 | 178.4 | -59.1 | -77.9 | 0 | 0 | 0 | 110.8 | R961 V964 E971 L972 A975 | R961-F966 HydrophobicContact CB-CZ 4.37Å; R961-F966 WeakPolarHBondContact O-CE2 3.45Å; V964-F966 HydrophobicContact CB-CE1 4.18Å; V964-F966 HydrophobicContact CB-CE2 3.99Å; V964-F966 HydrophobicContact CB-CZ 3.75Å; V964-F966 HydrophobicContact CG1-CD1 4.22Å; V964-F966 HydrophobicContact CG1-CE1 3.86Å; V964-F966 HydrophobicContact CG1-CE2 4.43Å; V964-F966 HydrophobicContact CG1-CZ 3.98Å; V964-F966 VanDerWaalsContact O-CD2 3.28Å; V964-F966 WeakPolarHBondContact O-CD2 3.3Å; V964-F966 WeakPolarHBondContact O-CE2 3.18Å; V964-F966 PolarHBondContact O-N 3.49Å; F966-E971 HydrophobicContact CB-CB 4.38Å; F966-E971 HydrophobicContact CD1-CB 3.72Å; F966-E971 HydrophobicContact CE1-CB 4.32Å; F966-E971 HydrophobicContact CG-CB 4.23Å; F966-L972 HydrophobicContact CB-CB 4.3Å; F966-L972 HydrophobicContact CB-CD1 4.36Å; F966-L972 HydrophobicContact CD2-CD1 4.07Å; F966-A975 HydrophobicContact CD2-CB 4.19Å; F966-A975 HydrophobicContact CE2-CB 3.54Å; F966-A975 HydrophobicContact CZ-CB 3.96Å | ||
| 967 | E | 71.3 | Confident | 71 | Confident | 166 Ų | 166 | 60.7 Ų | 60.7 | 78% | 0.776 | 30% | 0.304 | S | S | * | . | trans | -84.3 | -29.4 | 172.4 | -65.8 | -168.4 | 158.7 | 0 | 0 | 112.1 | ||||
| 968 | N | 77.6 | Confident | 72.5 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -87.7 | 125 | -176.3 | -68.5 | -21.6 | 0 | 0 | 0 | 110.9 | S970 E971 L972 | N968-S970 PolarHBondContact O-N 2.95Å; N968-S970 VanDerWaalsContact O-N 3.08Å; N968-E971 HydrophobicContact CB-CB 4.3Å; N968-E971 HydrophobicContact CB-CG 4.13Å; N968-E971 PolarHBondContact ND2-OE1 3.15Å; N968-E971 PolarHBondContact O-N 3.46Å; N968-L972 WeakPolarHBondContact O-CB 3.09Å; N968-L972 PolarHBondContact O-N 2.92Å; N968-L972 VanDerWaalsContact O-N 3.13Å |
| 969 | A | 78.9 | Confident | 73.8 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.8 | -27.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A973 F1017 L1020 V1021 | A969-A973 PolarHBondContact O-N 2.95Å; A969-F1017 HydrophobicContact CB-CD2 4.34Å; A969-F1017 HydrophobicContact CB-CE2 4.42Å; A969-F1017 WeakPolarHBondContact O-CD2 3.38Å; A969-F1017 WeakPolarHBondContact O-CE2 3.45Å; A969-L1020 HydrophobicContact CB-CB 4.17Å; A969-L1020 HydrophobicContact CB-CD1 4.21Å; A969-V1021 HydrophobicContact CB-CG2 4.15Å |
| 970 | S | 74.6 | Confident | 74.9 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.6 | -51.9 | -179.7 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | I898 N968 L972 A973 V974 | I898-S970 WeakPolarHBondContact CD1-O 3.25Å; I898-S970 VanDerWaalsContact CG1-CB 3.46Å; N968-S970 PolarHBondContact O-N 2.95Å; N968-S970 VanDerWaalsContact O-N 3.08Å; S970-L972 PolarHBondContact O-N 3.45Å; S970-A973 PolarHBondContact O-N 3.12Å; S970-V974 WeakPolarHBondContact O-CG2 3.27Å; S970-V974 PolarHBondContact O-N 3.05Å; S970-V974 VanDerWaalsContact O-N 3.12Å |
| 971 | E | 78.4 | Confident | 75.8 | Confident | 87 Ų | 87 | 48.8 Ų | 48.8 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 176.4 | -68.9 | 167 | -155.2 | 0 | 0 | 110.7 | F966 N968 V974 A975 | F966-E971 HydrophobicContact CB-CB 4.38Å; F966-E971 HydrophobicContact CD1-CB 3.72Å; F966-E971 HydrophobicContact CE1-CB 4.32Å; F966-E971 HydrophobicContact CG-CB 4.23Å; N968-E971 HydrophobicContact CB-CB 4.3Å; N968-E971 HydrophobicContact CB-CG 4.13Å; N968-E971 PolarHBondContact ND2-OE1 3.15Å; N968-E971 PolarHBondContact O-N 3.46Å; E971-V974 PolarHBondContact O-N 3.34Å; E971-A975 WeakPolarHBondContact O-CB 3.34Å; E971-A975 PolarHBondContact O-N 3.09Å |
| 972 | L | 80.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 177.2 | -168.8 | 58.4 | 0 | 0 | 0 | 112.3 | F966 N968 S970 V974 A975 I976 H1013 R1016 F1017 L1020 | F966-L972 HydrophobicContact CB-CB 4.3Å; F966-L972 HydrophobicContact CB-CD1 4.36Å; F966-L972 HydrophobicContact CD2-CD1 4.07Å; N968-L972 WeakPolarHBondContact O-CB 3.09Å; N968-L972 PolarHBondContact O-N 2.92Å; N968-L972 VanDerWaalsContact O-N 3.13Å; S970-L972 PolarHBondContact O-N 3.45Å; L972-V974 VanDerWaalsContact C-N 3.35Å; L972-V974 PolarHBondContact O-N 3.15Å; L972-A975 PolarHBondContact O-N 2.91Å; L972-I976 HydrophobicContact CG-CD1 4.19Å; L972-I976 WeakPolarHBondContact O-CD1 3.11Å; L972-I976 VanDerWaalsContact O-CG1 3.23Å; L972-I976 WeakPolarHBondContact O-CG1 3.18Å; L972-I976 PolarHBondContact O-N 2.86Å; L972-H1013 HydrophobicContact CD1-CB 3.7Å; L972-H1013 VanDerWaalsContact CD1-ND1 3.29Å; L972-H1013 WeakPolarHBondContact CD1-ND1 2.94Å; L972-H1013 WeakPolarHBondContact CD2-O 3.4Å; L972-R1016 HydrophobicContact CD2-CB 4.03Å; L972-R1016 HydrophobicContact CD2-CG 3.91Å; L972-F1017 VanDerWaalsContact CD2-CA 3.49Å; L972-F1017 HydrophobicContact CD2-CB 3.62Å; L972-F1017 VanDerWaalsContact CD2-N 3.33Å; L972-F1017 HydrophobicContact CG-CB 4.01Å; L972-L1020 HydrophobicContact CD2-CD1 4.45Å |
| 973 | A | 80.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I898 L901 A969 S970 T977 F1017 | I898-A973 HydrophobicContact CD1-CB 3.88Å; L901-A973 HydrophobicContact CD1-CB 3.99Å; A969-A973 PolarHBondContact O-N 2.95Å; S970-A973 PolarHBondContact O-N 3.12Å; A973-T977 WeakPolarHBondContact O-CB 3.39Å; A973-T977 PolarHBondContact O-N 3.02Å; A973-T977 PolarHBondContact O-OG1 3.08Å; A973-F1017 HydrophobicContact CB-CD2 4.18Å; A973-F1017 HydrophobicContact CB-CE2 3.7Å; A973-F1017 HydrophobicContact CB-CZ 4.28Å |
| 974 | V | 79.5 | Confident | 76.2 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 35% | 0.345 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | S970 E971 L972 I976 T977 D978 | S970-V974 WeakPolarHBondContact O-CG2 3.27Å; S970-V974 PolarHBondContact O-N 3.05Å; S970-V974 VanDerWaalsContact O-N 3.12Å; E971-V974 PolarHBondContact O-N 3.34Å; L972-V974 VanDerWaalsContact C-N 3.35Å; L972-V974 PolarHBondContact O-N 3.15Å; V974-I976 PolarHBondContact O-N 2.77Å; V974-T977 PolarHBondContact O-N 2.82Å; V974-T977 VanDerWaalsContact O-N 3.16Å; V974-D978 WeakPolarHBondContact O-CB 3.45Å; V974-D978 VanDerWaalsContact O-CG 3.25Å; V974-D978 PolarHBondContact O-N 3.45Å |
| 975 | A | 78.9 | Confident | 75.9 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F966 E971 L972 F979 | F966-A975 HydrophobicContact CD2-CB 4.19Å; F966-A975 HydrophobicContact CE2-CB 3.54Å; F966-A975 HydrophobicContact CZ-CB 3.96Å; E971-A975 WeakPolarHBondContact O-CB 3.34Å; E971-A975 PolarHBondContact O-N 3.09Å; L972-A975 PolarHBondContact O-N 2.91Å; A975-F979 WeakPolarHBondContact O-CB 3.38Å; A975-F979 PolarHBondContact O-N 2.66Å |
| 976 | I | 81.7 | Confident | 75.7 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.9 | -67.9 | 161.9 | 0 | 0 | 0 | 110.2 | L972 V974 F979 L980 H1013 V1014 F1017 | L972-I976 HydrophobicContact CG-CD1 4.19Å; L972-I976 WeakPolarHBondContact O-CD1 3.11Å; L972-I976 VanDerWaalsContact O-CG1 3.23Å; L972-I976 WeakPolarHBondContact O-CG1 3.18Å; L972-I976 PolarHBondContact O-N 2.86Å; V974-I976 PolarHBondContact O-N 2.77Å; I976-F979 PolarHBondContact O-N 3.37Å; I976-L980 HydrophobicContact CG2-CD1 3.86Å; I976-L980 HydrophobicContact CG2-CG 4.42Å; I976-L980 VanDerWaalsContact O-CG 3.3Å; I976-L980 WeakPolarHBondContact O-CG 3.38Å; I976-L980 PolarHBondContact O-N 3.18Å; I976-H1013 HydrophobicContact CG1-CB 4.39Å; I976-V1014 HydrophobicContact CD1-CG2 3.97Å; I976-V1014 HydrophobicContact CG1-CG2 4.38Å; I976-V1014 HydrophobicContact CG2-CG2 4.41Å; I976-F1017 HydrophobicContact CD1-CB 4.14Å |
| 977 | T | 81 | Confident | 75.3 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | -178.7 | -53.5 | 0 | 0 | 0 | 0 | 112 | I887 T904 A973 V974 F979 L980 T981 | I887-T977 HydrophobicContact CD1-CG2 4.48Å; I887-T977 HydrophobicContact CG1-CG2 4.36Å; I887-T977 HydrophobicContact CG2-CG2 4.14Å; T904-T977 HydrophobicContact CG2-CG2 4.22Å; A973-T977 WeakPolarHBondContact O-CB 3.39Å; A973-T977 PolarHBondContact O-N 3.02Å; A973-T977 PolarHBondContact O-OG1 3.08Å; V974-T977 PolarHBondContact O-N 2.82Å; V974-T977 VanDerWaalsContact O-N 3.16Å; T977-F979 VanDerWaalsContact C-N 3.29Å; T977-F979 PolarHBondContact O-N 3.03Å; T977-L980 PolarHBondContact O-N 3.09Å; T977-T981 HydrophobicContact CG2-CG2 4.31Å; T977-T981 WeakPolarHBondContact O-CB 3.37Å; T977-T981 VanDerWaalsContact O-CG2 3.31Å; T977-T981 WeakPolarHBondContact O-CG2 3.48Å; T977-T981 PolarHBondContact O-N 2.89Å; T977-T981 PolarHBondContact O-OG1 2.92Å |
| 978 | D | 78.4 | Confident | 75 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.5 | -73 | -10.1 | 0 | 0 | 0 | 110.9 | R961 V974 T981 S982 | R961-D978 IonicContact CZ-OD2 2.68Å; R961-D978 IonicContact NH1-OD2 3.52Å; R961-D978 PolarHBondContact NH1-OD2 2.86Å; V974-D978 WeakPolarHBondContact O-CB 3.45Å; V974-D978 VanDerWaalsContact O-CG 3.25Å; V974-D978 PolarHBondContact O-N 3.45Å; D978-T981 PolarHBondContact O-OG1 2.98Å; D978-S982 WeakPolarHBondContact O-CB 3.31Å; D978-S982 PolarHBondContact O-N 3.16Å; D978-S982 VanDerWaalsContact O-N 3.13Å |
| 979 | F | 80.6 | Confident | 74.6 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.6 | -50.6 | 176.9 | 177.4 | -103.5 | 0 | 0 | 0 | 111.7 | E959 L962 A975 I976 T977 T981 S982 L988 L1010 | E959-F979 HydrophobicContact CG-CE2 4.43Å; L962-F979 HydrophobicContact CD1-CB 4.35Å; L962-F979 HydrophobicContact CD1-CD1 3.97Å; L962-F979 HydrophobicContact CD1-CD2 3.26Å; L962-F979 HydrophobicContact CD1-CE1 4.04Å; L962-F979 HydrophobicContact CD1-CE2 3.34Å; L962-F979 HydrophobicContact CD1-CG 3.57Å; L962-F979 HydrophobicContact CD1-CZ 3.74Å; L962-F979 HydrophobicContact CD2-CB 4.18Å; L962-F979 HydrophobicContact CD2-CG 4.17Å; L962-F979 HydrophobicContact CG-CB 4.28Å; L962-F979 HydrophobicContact CG-CD2 3.92Å; L962-F979 HydrophobicContact CG-CE2 4.45Å; L962-F979 HydrophobicContact CG-CG 4.03Å; A975-F979 WeakPolarHBondContact O-CB 3.38Å; A975-F979 PolarHBondContact O-N 2.66Å; I976-F979 PolarHBondContact O-N 3.37Å; T977-F979 VanDerWaalsContact C-N 3.29Å; T977-F979 PolarHBondContact O-N 3.03Å; F979-T981 VanDerWaalsContact C-N 3.3Å; F979-T981 PolarHBondContact O-N 3.07Å; F979-S982 PolarHBondContact O-N 3.09Å; F979-S982 PolarHBondContact O-OG 3.1Å; F979-L988 HydrophobicContact CE1-CD2 3.62Å; F979-L988 HydrophobicContact CZ-CD2 3.73Å; F979-L1010 HydrophobicContact CD1-CD1 3.83Å; F979-L1010 HydrophobicContact CD1-CD2 4.35Å; F979-L1010 HydrophobicContact CE1-CD1 4.19Å; F979-L1010 HydrophobicContact CE1-CD2 3.97Å |
| 980 | L | 81.2 | Confident | 73.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -33.4 | -177.9 | -67.8 | 174.5 | 0 | 0 | 0 | 112.7 | K883 L886 I887 I976 T977 L988 L1010 | K883-L980 HydrophobicContact CG-CD2 4.3Å; L886-L980 HydrophobicContact CB-CD1 3.83Å; L886-L980 HydrophobicContact CD1-CD1 4.28Å; I887-L980 HydrophobicContact CD1-CB 4.14Å; I887-L980 HydrophobicContact CG1-CB 4.31Å; I887-L980 HydrophobicContact CG1-CD1 3.89Å; I976-L980 HydrophobicContact CG2-CD1 3.86Å; I976-L980 HydrophobicContact CG2-CG 4.42Å; I976-L980 VanDerWaalsContact O-CG 3.3Å; I976-L980 WeakPolarHBondContact O-CG 3.38Å; I976-L980 PolarHBondContact O-N 3.18Å; T977-L980 PolarHBondContact O-N 3.09Å; L980-L988 HydrophobicContact CD2-CD1 4.22Å; L980-L1010 HydrophobicContact CD2-CD2 4.46Å |
| 981 | T | 77.9 | Confident | 72.1 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79.3 | -19.5 | 177.1 | 53 | 0 | 0 | 0 | 0 | 113.4 | I887 T977 D978 F979 K983 | I887-T981 HydrophobicContact CD1-CG2 4.05Å; T977-T981 HydrophobicContact CG2-CG2 4.31Å; T977-T981 WeakPolarHBondContact O-CB 3.37Å; T977-T981 VanDerWaalsContact O-CG2 3.31Å; T977-T981 WeakPolarHBondContact O-CG2 3.48Å; T977-T981 PolarHBondContact O-N 2.89Å; T977-T981 PolarHBondContact O-OG1 2.92Å; D978-T981 PolarHBondContact O-OG1 2.98Å; F979-T981 VanDerWaalsContact C-N 3.3Å; F979-T981 PolarHBondContact O-N 3.07Å; T981-K983 VanDerWaalsContact C-N 3.29Å; T981-K983 PolarHBondContact O-N 3.49Å |
| 982 | S | 73.3 | Confident | 70.5 | Confident | 54 Ų | 54 | 46 Ų | 46 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.7 | -18.4 | -179.6 | 70.6 | 0 | 0 | 0 | 0 | 115.1 | D978 F979 | D978-S982 WeakPolarHBondContact O-CB 3.31Å; D978-S982 PolarHBondContact O-N 3.16Å; D978-S982 VanDerWaalsContact O-N 3.13Å; F979-S982 PolarHBondContact O-N 3.09Å; F979-S982 PolarHBondContact O-OG 3.1Å |
| 983 | K | 66.2 | Low | 68.7 | Low | 69 Ų | 69 | 52.1 Ų | 52.1 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 62.7 | -178.3 | -63.8 | -164 | -178.9 | -179.7 | 0 | 111.6 | K883 E959 T981 | K883-K983 PolarHBondContact NZ-O 3.08Å; E959-K983 WeakPolarHBondContact OE1-CE 3.47Å; E959-K983 IonicContact OE1-NZ 3.26Å; E959-K983 PolarHBondContact OE1-NZ 3.5Å; T981-K983 VanDerWaalsContact C-N 3.29Å; T981-K983 PolarHBondContact O-N 3.49Å |
| 984 | E | 65 | Low | 67 | Low | 148 Ų | 148 | 57.2 Ų | 57.2 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 142.5 | 175.4 | -76.4 | -176.5 | 176.3 | 0 | 0 | 112.3 | M986 | E984-M986 VanDerWaalsContact C-N 3.32Å; E984-M986 PolarHBondContact O-N 3.19Å |
| 985 | G | 64.3 | Low | 65.2 | Low | 34 Ų | 34 | 62 Ų | 62 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -6.4 | 172 | 0 | 0 | 0 | 0 | 0 | 117.3 | N880 | N880-G985 PolarHBondContact OD1-N 3.14Š|
| 986 | M | 66.5 | Low | 63.4 | Low | 129 Ų | 129 | 66.8 Ų | 66.8 | 64% | 0.635 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -122.4 | 149.7 | -179.9 | -59.6 | -66.8 | -78.2 | 0 | 0 | 112.1 | N879 K883 E984 L988 | N879-M986 PolarHBondContact ND2-O 2.86Å; N879-M986 VanDerWaalsContact ND2-O 3.13Å; K883-M986 PolarHBondContact NZ-O 3.12Å; E984-M986 VanDerWaalsContact C-N 3.32Å; E984-M986 PolarHBondContact O-N 3.19Å; M986-L988 PolarHBondContact O-N 3.03Å |
| 987 | P | 64.1 | Low | 61.6 | Low | 55 Ų | 55 | 75.8 Ų | 75.8 | 36% | 0.357 | 40% | 0.401 | S | S | . | . | trans | -52.2 | 137.8 | 165.3 | 21.3 | -29.7 | 0 | 0 | 0 | 110.1 | D872 N879 W989 | D872-P987 VanDerWaalsContact OD1-CB 3.29Å; D872-P987 WeakPolarHBondContact OD1-CB 3.44Å; N879-P987 WeakPolarHBondContact ND2-CA 3.45Å; P987-W989 VanDerWaalsContact C-N 3.27Å; P987-W989 PolarHBondContact O-N 3.31Å | ||
| 988 | L | 66.9 | Low | 59.6 | Low | 5 Ų | 5 | 78.9 Ų | 78.9 | 3% | 0.026 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -70.9 | -28.6 | -175.3 | -97.4 | 152.5 | 0 | 0 | 0 | 112.2 | L871 K883 F979 L980 M986 | L871-L988 HydrophobicContact CB-CD1 3.81Å; L871-L988 HydrophobicContact CD1-CD1 3.92Å; L871-L988 HydrophobicContact CD2-CD1 3.72Å; L871-L988 HydrophobicContact CG-CD1 3.99Å; L871-L988 PolarHBondContact O-N 3.29Å; K883-L988 HydrophobicContact CD-CD1 4.47Å; K883-L988 HydrophobicContact CG-CD1 4.34Å; F979-L988 HydrophobicContact CE1-CD2 3.62Å; F979-L988 HydrophobicContact CZ-CD2 3.73Å; L980-L988 HydrophobicContact CD2-CD1 4.22Å; M986-L988 PolarHBondContact O-N 3.03Å |
| 989 | W | 68.9 | Low | 58.1 | Low | 23 Ų | 23 | 81.2 Ų | 81.2 | 9% | 0.087 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -113.6 | 115.1 | -179.8 | -25.9 | 111.3 | 0 | 0 | 0 | 107 | L871 D872 P987 S991 L1006 M1007 L1010 | L871-W989 HydrophobicContact CD1-CZ2 4.41Å; D872-W989 VanDerWaalsContact OD1-O 3.12Å; P987-W989 VanDerWaalsContact C-N 3.27Å; P987-W989 PolarHBondContact O-N 3.31Å; W989-S991 PolarHBondContact O-N 3.43Å; W989-L1006 HydrophobicContact CZ3-CB 4.05Å; W989-M1007 HydrophobicContact CD2-CB 4.41Å; W989-M1007 HydrophobicContact CE3-CB 4.07Å; W989-M1007 HydrophobicContact CH2-CB 3.52Å; W989-M1007 HydrophobicContact CH2-CG 3.88Å; W989-M1007 HydrophobicContact CZ2-CB 3.86Å; W989-M1007 HydrophobicContact CZ2-CG 3.78Å; W989-M1007 HydrophobicContact CZ2-SD 4.35Å; W989-M1007 VanDerWaalsContact CZ3-CA 3.48Å; W989-M1007 HydrophobicContact CZ3-CB 3.61Å; W989-M1007 HydrophobicContact CZ3-CG 4.45Å; W989-L1010 HydrophobicContact CH2-CD2 4.08Å |
| 990 | P | 51.7 | Low | 56.4 | Low | 86 Ų | 86 | 91.5 Ų | 91.5 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | trans | -61.7 | 135.6 | 164.7 | 25.4 | -30.1 | 0 | 0 | 0 | 108.1 | D992 | P990-D992 VanDerWaalsContact C-N 3.34Å; P990-D992 PolarHBondContact O-N 2.93Å | ||
| 991 | S | 48.2 | Very low | 55.1 | Low | 112 Ų | 112 | 93.1 Ų | 93.1 | 78% | 0.783 | 50% | 0.498 | S | S | * | . | trans | -60.8 | 96.7 | 175 | -56 | 0 | 0 | 0 | 0 | 108.6 | W989 | W989-S991 PolarHBondContact O-N 3.43Š| ||
| 992 | D | 45.5 | Very low | 54.4 | Low | 59 Ų | 59 | 94 Ų | 94 | 32% | 0.316 | 51% | 0.507 | S | S | . | . | trans | -81.6 | 115.5 | 173.1 | -66.7 | -39.2 | 0 | 0 | 0 | 107.2 | P990 L994 T1001 S1003 | P990-D992 VanDerWaalsContact C-N 3.34Å; P990-D992 PolarHBondContact O-N 2.93Å; D992-L994 PolarHBondContact O-N 3.19Å; D992-L994 VanDerWaalsContact O-N 3.07Å; D992-T1001 HydrophobicContact CB-CG2 3.72Å; D992-T1001 WeakPolarHBondContact OD2-CB 3.19Å; D992-S1003 PolarHBondContact OD2-OG 3.13Å | ||
| 993 | D | 42.4 | Very low | 54 | Low | 128 Ų | 128 | 92 Ų | 92 | 68% | 0.684 | 49% | 0.494 | S | S | * | . | trans | -57.4 | 112.8 | 174.8 | -74.7 | -31.4 | 0 | 0 | 0 | 110 | Y995 M996 | D993-Y995 PolarHBondContact O-N 3.07Å; D993-M996 PolarHBondContact O-N 3.41Å | ||
| 994 | L | 45.8 | Very low | 54.1 | Low | 108 Ų | 108 | 91 Ų | 91 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3 | -175.4 | -88.9 | 102.4 | 0 | 0 | 0 | 114.3 | D992 M996 | D992-L994 PolarHBondContact O-N 3.19Å; D992-L994 VanDerWaalsContact O-N 3.07Å; L994-M996 PolarHBondContact O-N 3.32Å |
| 995 | Y | 41 | Very low | 54.4 | Low | 157 Ų | 157 | 87.2 Ų | 87.2 | 62% | 0.616 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.6 | 175.4 | -85.4 | -80.3 | 0 | 0 | 0 | 113.9 | D993 K997 | D993-Y995 PolarHBondContact O-N 3.07Å; Y995-K997 PolarHBondContact O-N 3.43Å |
| 996 | M | 40.1 | Very low | 54.9 | Low | 105 Ų | 105 | 86.8 Ų | 86.8 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -72.7 | 117.8 | 169.3 | -73.5 | -66.1 | 113.2 | 0 | 0 | 110.2 | D993 L994 S998 | D993-M996 PolarHBondContact O-N 3.41Å; L994-M996 PolarHBondContact O-N 3.32Å; M996-S998 PolarHBondContact O-N 3.4Å |
| 997 | K | 44.5 | Very low | 55.5 | Low | 193 Ų | 193 | 82 Ų | 82 | 84% | 0.839 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -55 | 10.2 | 178.1 | -77.4 | 176.8 | 174.4 | 174.4 | 0 | 116.1 | Y995 | Y995-K997 PolarHBondContact O-N 3.43Š|
| 998 | S | 39.7 | Very low | 56.2 | Low | 73 Ų | 73 | 80.7 Ų | 80.7 | 51% | 0.51 | 44% | 0.438 | S | S | . | . | trans | -96.7 | 92.7 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 110 | M996 R1000 | M996-S998 PolarHBondContact O-N 3.4Å; S998-R1000 PolarHBondContact O-N 2.92Å | ||
| 999 | A | 46.3 | Very low | 56.8 | Low | 99 Ų | 99 | 82.1 Ų | 82.1 | 82% | 0.818 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -68.5 | 22.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1000 | R | 44.6 | Very low | 57.6 | Low | 219 Ų | 219 | 81 Ų | 81 | 83% | 0.826 | 44% | 0.44 | S | S | * | . | trans | -128 | 64.3 | 175.5 | -68 | -171.7 | 179.9 | -178.6 | 1.5 | 109 | S998 | S998-R1000 PolarHBondContact O-N 2.92Š| ||
| 1001 | T | 54.5 | Low | 59.2 | Low | 36 Ų | 36 | 77 Ų | 77 | 22% | 0.221 | 41% | 0.413 | C | S | . | . | trans | -65 | 136.6 | 165.8 | 42.8 | 0 | 0 | 0 | 0 | 109.2 | D992 S1003 V1004 | D992-T1001 HydrophobicContact CB-CG2 3.72Å; D992-T1001 WeakPolarHBondContact OD2-CB 3.19Å; T1001-S1003 WeakPolarHBondContact CB-OG 3.45Å; T1001-S1003 PolarHBondContact O-N 2.94Å; T1001-V1004 PolarHBondContact O-N 3.22Å; T1001-V1004 WeakPolarHBondContact OG1-CG2 3.27Å | ||
| 1002 | S | 61.9 | Low | 60.9 | Low | 81 Ų | 81 | 73.5 Ų | 73.5 | 57% | 0.566 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.6 | -31 | -176.2 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | V1005 L1006 | S1002-V1005 PolarHBondContact O-N 3.36Å; S1002-L1006 WeakPolarHBondContact O-CG 3.37Å; S1002-L1006 PolarHBondContact O-N 3.07Å |
| 1003 | S | 66.7 | Low | 62.7 | Low | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 176.2 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | D992 T1001 V1005 L1006 M1007 | D992-S1003 PolarHBondContact OD2-OG 3.13Å; T1001-S1003 WeakPolarHBondContact CB-OG 3.45Å; T1001-S1003 PolarHBondContact O-N 2.94Å; S1003-V1005 VanDerWaalsContact C-N 3.31Å; S1003-V1005 PolarHBondContact O-N 3.45Å; S1003-L1006 PolarHBondContact O-N 3.23Å; S1003-M1007 WeakPolarHBondContact O-CB 3.26Å; S1003-M1007 PolarHBondContact O-N 3.29Å |
| 1004 | V | 67.5 | Low | 64.8 | Low | 48 Ų | 48 | 65.2 Ų | 65.2 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 179.6 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | T1001 S1008 | T1001-V1004 PolarHBondContact O-N 3.22Å; T1001-V1004 WeakPolarHBondContact OG1-CG2 3.27Å; V1004-S1008 VanDerWaalsContact O-CB 3.28Å; V1004-S1008 WeakPolarHBondContact O-CB 3.03Å; V1004-S1008 PolarHBondContact O-N 2.76Å |
| 1005 | V | 70.6 | Confident | 66.7 | Low | 68 Ų | 68 | 60.8 Ų | 60.8 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | F963 S1002 S1003 S1008 K1009 | F963-V1005 HydrophobicContact CE1-CG1 4.19Å; F963-V1005 HydrophobicContact CZ-CG1 4.41Å; S1002-V1005 PolarHBondContact O-N 3.36Å; S1003-V1005 VanDerWaalsContact C-N 3.31Å; S1003-V1005 PolarHBondContact O-N 3.45Å; V1005-S1008 PolarHBondContact O-N 3.46Å; V1005-K1009 WeakPolarHBondContact O-CB 3.38Å; V1005-K1009 PolarHBondContact O-N 3.37Å |
| 1006 | L | 74.6 | Confident | 68.8 | Low | 24 Ų | 24 | 59.3 Ų | 59.3 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.6 | -77.7 | 161.9 | 0 | 0 | 0 | 111.4 | L962 F963 W989 S1002 S1003 S1008 K1009 L1010 | L962-L1006 HydrophobicContact CD1-CD2 4.28Å; F963-L1006 HydrophobicContact CE2-CD2 4.3Å; F963-L1006 HydrophobicContact CZ-CD2 4.44Å; W989-L1006 HydrophobicContact CZ3-CB 4.05Å; S1002-L1006 WeakPolarHBondContact O-CG 3.37Å; S1002-L1006 PolarHBondContact O-N 3.07Å; S1003-L1006 PolarHBondContact O-N 3.23Å; L1006-S1008 PolarHBondContact O-N 2.88Å; L1006-K1009 PolarHBondContact O-N 2.8Å; L1006-L1010 PolarHBondContact O-N 2.81Å |
| 1007 | M | 79.7 | Confident | 71 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 15% | 0.148 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 175.8 | -177.4 | 177.2 | 61.9 | 0 | 0 | 111.2 | W989 S1003 K1009 L1010 V1011 A1039 | W989-M1007 HydrophobicContact CD2-CB 4.41Å; W989-M1007 HydrophobicContact CE3-CB 4.07Å; W989-M1007 HydrophobicContact CH2-CB 3.52Å; W989-M1007 HydrophobicContact CH2-CG 3.88Å; W989-M1007 HydrophobicContact CZ2-CB 3.86Å; W989-M1007 HydrophobicContact CZ2-CG 3.78Å; W989-M1007 HydrophobicContact CZ2-SD 4.35Å; W989-M1007 VanDerWaalsContact CZ3-CA 3.48Å; W989-M1007 HydrophobicContact CZ3-CB 3.61Å; W989-M1007 HydrophobicContact CZ3-CG 4.45Å; S1003-M1007 WeakPolarHBondContact O-CB 3.26Å; S1003-M1007 PolarHBondContact O-N 3.29Å; M1007-K1009 VanDerWaalsContact C-N 3.29Å; M1007-K1009 PolarHBondContact O-N 3Å; M1007-L1010 PolarHBondContact O-N 3.15Å; M1007-V1011 HydrophobicContact CG-CG2 4.42Å; M1007-V1011 WeakPolarHBondContact O-CG2 3.25Å; M1007-V1011 PolarHBondContact O-N 2.9Å; M1007-A1039 HydrophobicContact CE-CB 3.8Å |
| 1008 | S | 78.3 | Confident | 73 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 179.1 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | V1004 V1005 L1006 Q1012 | V1004-S1008 VanDerWaalsContact O-CB 3.28Å; V1004-S1008 WeakPolarHBondContact O-CB 3.03Å; V1004-S1008 PolarHBondContact O-N 2.76Å; V1005-S1008 PolarHBondContact O-N 3.46Å; L1006-S1008 PolarHBondContact O-N 2.88Å; S1008-Q1012 WeakPolarHBondContact O-CB 3.4Å; S1008-Q1012 WeakPolarHBondContact O-CG 3.46Å; S1008-Q1012 PolarHBondContact O-N 3.1Å; S1008-Q1012 PolarHBondContact OG-NE2 2.93Å |
| 1009 | K | 81 | Confident | 75.1 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 15% | 0.148 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.3 | -37.6 | 178.7 | -166.1 | 64.3 | -179.3 | 178.6 | 0 | 111.9 | L962 D965 V1005 L1006 M1007 Q1012 H1013 | L962-K1009 HydrophobicContact CB-CG 4.35Å; L962-K1009 WeakPolarHBondContact O-CE 3.25Å; L962-K1009 WeakPolarHBondContact O-CG 3.42Å; D965-K1009 IonicContact OD1-NZ 3.93Å; D965-K1009 PolarHBondContact OD1-NZ 3.37Å; V1005-K1009 WeakPolarHBondContact O-CB 3.38Å; V1005-K1009 PolarHBondContact O-N 3.37Å; L1006-K1009 PolarHBondContact O-N 2.8Å; M1007-K1009 VanDerWaalsContact C-N 3.29Å; M1007-K1009 PolarHBondContact O-N 3Å; K1009-Q1012 PolarHBondContact O-N 2.98Å; K1009-H1013 WeakPolarHBondContact CE-NE2 3.27Å; K1009-H1013 WeakPolarHBondContact O-CB 3.48Å; K1009-H1013 PolarHBondContact O-CD2 3.01Å; K1009-H1013 PolarHBondContact O-N 2.85Å |
| 1010 | L | 85.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 173.5 | -176.7 | 67.2 | 0 | 0 | 0 | 111.6 | F868 L871 L962 F979 L980 W989 L1006 M1007 Q1012 H1013 V1014 | F868-L1010 HydrophobicContact CE1-CD2 3.83Å; F868-L1010 HydrophobicContact CE1-CG 4.03Å; F868-L1010 HydrophobicContact CZ-CD2 4.24Å; F868-L1010 HydrophobicContact CZ-CG 4.14Å; L871-L1010 HydrophobicContact CD1-CD2 4.28Å; L962-L1010 HydrophobicContact CD2-CD1 4.25Å; F979-L1010 HydrophobicContact CD1-CD1 3.83Å; F979-L1010 HydrophobicContact CD1-CD2 4.35Å; F979-L1010 HydrophobicContact CE1-CD1 4.19Å; F979-L1010 HydrophobicContact CE1-CD2 3.97Å; L980-L1010 HydrophobicContact CD2-CD2 4.46Å; W989-L1010 HydrophobicContact CH2-CD2 4.08Å; L1006-L1010 PolarHBondContact O-N 2.81Å; M1007-L1010 PolarHBondContact O-N 3.15Å; L1010-Q1012 VanDerWaalsContact C-N 3.31Å; L1010-Q1012 PolarHBondContact O-N 3.06Å; L1010-H1013 PolarHBondContact O-N 3.47Å; L1010-V1014 HydrophobicContact CD1-CG2 4.48Å; L1010-V1014 WeakPolarHBondContact O-CG2 3.27Å; L1010-V1014 PolarHBondContact O-N 3.08Å |
| 1011 | V | 85.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | F868 M1007 V1014 N1015 W1031 A1043 L1044 | F868-V1011 HydrophobicContact CD1-CG2 3.82Å; F868-V1011 HydrophobicContact CE1-CB 4.42Å; F868-V1011 HydrophobicContact CE1-CG2 3.4Å; F868-V1011 VanDerWaalsContact CE1-CG2 3.4Å; F868-V1011 HydrophobicContact CZ-CG2 4.03Å; M1007-V1011 HydrophobicContact CG-CG2 4.42Å; M1007-V1011 WeakPolarHBondContact O-CG2 3.25Å; M1007-V1011 PolarHBondContact O-N 2.9Å; V1011-V1014 PolarHBondContact O-N 3.28Å; V1011-N1015 WeakPolarHBondContact O-CB 3.46Å; V1011-N1015 PolarHBondContact O-N 3.13Å; V1011-W1031 HydrophobicContact CG1-CH2 4Å; V1011-W1031 HydrophobicContact CG1-CZ3 4.12Å; V1011-W1031 HydrophobicContact CG2-CH2 4.4Å; V1011-A1043 HydrophobicContact CB-CB 3.96Å; V1011-A1043 HydrophobicContact CG1-CB 3.9Å; V1011-A1043 HydrophobicContact CG2-CB 4.26Å; V1011-L1044 HydrophobicContact CG1-CD2 3.59Å; V1011-L1044 HydrophobicContact CG1-CG 3.83Å |
| 1012 | Q | 83.5 | Confident | 79.8 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.4 | -77.2 | 167.3 | 16.5 | 0 | 0 | 112.2 | S1008 K1009 L1010 N1015 R1016 A1043 | S1008-Q1012 WeakPolarHBondContact O-CB 3.4Å; S1008-Q1012 WeakPolarHBondContact O-CG 3.46Å; S1008-Q1012 PolarHBondContact O-N 3.1Å; S1008-Q1012 PolarHBondContact OG-NE2 2.93Å; K1009-Q1012 PolarHBondContact O-N 2.98Å; L1010-Q1012 VanDerWaalsContact C-N 3.31Å; L1010-Q1012 PolarHBondContact O-N 3.06Å; Q1012-N1015 PolarHBondContact O-N 3Å; Q1012-R1016 WeakPolarHBondContact O-CB 3.37Å; Q1012-R1016 PolarHBondContact O-N 3.34Å; Q1012-A1043 PolarHBondContact NE2-O 2.91Å |
| 1013 | H | 83.2 | Confident | 80.3 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 176.9 | -81.2 | -36.2 | 0 | 0 | 0 | 112.6 | L962 V964 L972 I976 K1009 L1010 R1016 F1017 | L962-H1013 PolarHBondContact O-CD2 3.45Å; L962-H1013 PolarHBondContact O-NE2 3Å; V964-H1013 PolarHBondContact O-CE1 3Å; L972-H1013 HydrophobicContact CD1-CB 3.7Å; L972-H1013 VanDerWaalsContact CD1-ND1 3.29Å; L972-H1013 WeakPolarHBondContact CD1-ND1 2.94Å; L972-H1013 WeakPolarHBondContact CD2-O 3.4Å; I976-H1013 HydrophobicContact CG1-CB 4.39Å; K1009-H1013 WeakPolarHBondContact CE-NE2 3.27Å; K1009-H1013 WeakPolarHBondContact O-CB 3.48Å; K1009-H1013 PolarHBondContact O-CD2 3.01Å; K1009-H1013 PolarHBondContact O-N 2.85Å; L1010-H1013 PolarHBondContact O-N 3.47Å; H1013-R1016 PolarHBondContact O-N 3Å; H1013-F1017 WeakPolarHBondContact O-CB 3.43Å; H1013-F1017 PolarHBondContact O-N 3.21Å |
| 1014 | V | 87.5 | Confident | 80.5 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -46.7 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L864 F868 I976 L1010 V1011 R1016 F1017 Y1018 W1031 | L864-V1014 HydrophobicContact CD1-CG1 4.44Å; L864-V1014 HydrophobicContact CD2-CG1 4.06Å; F868-V1014 HydrophobicContact CE2-CB 4.39Å; F868-V1014 HydrophobicContact CE2-CG1 4.16Å; F868-V1014 HydrophobicContact CE2-CG2 4.25Å; F868-V1014 HydrophobicContact CZ-CB 4.16Å; F868-V1014 HydrophobicContact CZ-CG1 4.43Å; F868-V1014 HydrophobicContact CZ-CG2 3.86Å; I976-V1014 HydrophobicContact CD1-CG2 3.97Å; I976-V1014 HydrophobicContact CG1-CG2 4.38Å; I976-V1014 HydrophobicContact CG2-CG2 4.41Å; L1010-V1014 HydrophobicContact CD1-CG2 4.48Å; L1010-V1014 WeakPolarHBondContact O-CG2 3.27Å; L1010-V1014 PolarHBondContact O-N 3.08Å; V1011-V1014 PolarHBondContact O-N 3.28Å; V1014-R1016 VanDerWaalsContact C-N 3.31Å; V1014-R1016 PolarHBondContact O-N 3.44Å; V1014-F1017 WeakPolarHBondContact O-CB 3.46Å; V1014-F1017 PolarHBondContact O-N 3.29Å; V1014-Y1018 HydrophobicContact CG1-CD2 3.8Å; V1014-Y1018 HydrophobicContact CG1-CE2 3.66Å; V1014-Y1018 WeakPolarHBondContact O-CD2 3.34Å; V1014-Y1018 PolarHBondContact O-N 3.32Å; V1014-W1031 HydrophobicContact CG1-CH2 4.36Å; V1014-W1031 HydrophobicContact CG1-CZ3 4.22Å |
| 1015 | N | 85.7 | Confident | 80.8 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.8 | -175.9 | 41.7 | 0 | 0 | 0 | 111.4 | V1011 Q1012 Y1018 S1019 E1028 L1044 | V1011-N1015 WeakPolarHBondContact O-CB 3.46Å; V1011-N1015 PolarHBondContact O-N 3.13Å; Q1012-N1015 PolarHBondContact O-N 3Å; N1015-Y1018 PolarHBondContact O-N 2.89Å; N1015-S1019 VanDerWaalsContact O-CB 3.23Å; N1015-S1019 WeakPolarHBondContact O-CB 3.45Å; N1015-S1019 PolarHBondContact O-N 3.25Å; N1015-S1019 PolarHBondContact O-OG 3.37Å; N1015-E1028 PolarHBondContact ND2-OE2 3.13Å; N1015-E1028 PolarHBondContact OD1-N 2.96Å; N1015-L1044 HydrophobicContact CB-CD2 3.97Å |
| 1016 | R | 84.5 | Confident | 81 | Confident | 126 Ų | 126 | 44.5 Ų | 44.5 | 48% | 0.475 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.6 | -44 | 176.7 | -177.3 | 60.7 | 174.1 | 169.7 | 0.5 | 111.4 | L972 Q1012 H1013 V1014 S1019 L1020 | L972-R1016 HydrophobicContact CD2-CB 4.03Å; L972-R1016 HydrophobicContact CD2-CG 3.91Å; Q1012-R1016 WeakPolarHBondContact O-CB 3.37Å; Q1012-R1016 PolarHBondContact O-N 3.34Å; H1013-R1016 PolarHBondContact O-N 3Å; V1014-R1016 VanDerWaalsContact C-N 3.31Å; V1014-R1016 PolarHBondContact O-N 3.44Å; R1016-S1019 PolarHBondContact O-N 3.19Å; R1016-L1020 HydrophobicContact CG-CD1 4.29Å; R1016-L1020 WeakPolarHBondContact O-CG 3.37Å; R1016-L1020 PolarHBondContact O-N 2.91Å |
| 1017 | F | 86.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57 | -52.9 | 176.5 | 173.1 | -103.1 | 0 | 0 | 0 | 111 | A890 A969 L972 A973 I976 H1013 V1014 S1019 L1020 V1021 | A890-F1017 HydrophobicContact CB-CE1 4.21Å; A890-F1017 HydrophobicContact CB-CZ 4.45Å; A890-F1017 WeakPolarHBondContact O-CZ 3.5Å; A969-F1017 HydrophobicContact CB-CD2 4.34Å; A969-F1017 HydrophobicContact CB-CE2 4.42Å; A969-F1017 WeakPolarHBondContact O-CD2 3.38Å; A969-F1017 WeakPolarHBondContact O-CE2 3.45Å; L972-F1017 VanDerWaalsContact CD2-CA 3.49Å; L972-F1017 HydrophobicContact CD2-CB 3.62Å; L972-F1017 VanDerWaalsContact CD2-N 3.33Å; L972-F1017 HydrophobicContact CG-CB 4.01Å; A973-F1017 HydrophobicContact CB-CD2 4.18Å; A973-F1017 HydrophobicContact CB-CE2 3.7Å; A973-F1017 HydrophobicContact CB-CZ 4.28Å; I976-F1017 HydrophobicContact CD1-CB 4.14Å; H1013-F1017 WeakPolarHBondContact O-CB 3.43Å; H1013-F1017 PolarHBondContact O-N 3.21Å; V1014-F1017 WeakPolarHBondContact O-CB 3.46Å; V1014-F1017 PolarHBondContact O-N 3.29Å; F1017-S1019 VanDerWaalsContact C-N 3.33Å; F1017-S1019 PolarHBondContact O-N 3.17Å; F1017-L1020 PolarHBondContact O-N 2.9Å; F1017-V1021 HydrophobicContact CD2-CG2 4.33Å; F1017-V1021 HydrophobicContact CE1-CG2 4.46Å; F1017-V1021 HydrophobicContact CE2-CG2 3.91Å; F1017-V1021 HydrophobicContact CZ-CG2 4Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.5Å; F1017-V1021 PolarHBondContact O-N 2.98Å |
| 1018 | Y | 86.5 | Confident | 81.2 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -30.4 | 179.4 | -71.1 | -65.2 | 0 | 0 | 0 | 113.2 | L860 L864 L889 A890 Y893 V1014 N1015 L1020 V1021 L1022 | L860-Y1018 HydrophobicContact CD1-CE1 3.99Å; L860-Y1018 HydrophobicContact CD1-CE2 4.43Å; L860-Y1018 HydrophobicContact CD2-CD1 3.66Å; L860-Y1018 HydrophobicContact CD2-CE1 3.88Å; L860-Y1018 HydrophobicContact CD2-CG 4.06Å; L864-Y1018 HydrophobicContact CD1-CD2 3.86Å; L864-Y1018 HydrophobicContact CD1-CE2 3.84Å; L864-Y1018 HydrophobicContact CD2-CE2 3.7Å; L864-Y1018 HydrophobicContact CG-CE2 4.36Å; L889-Y1018 VanDerWaalsContact C-OH 3.3Å; L889-Y1018 WeakPolarHBondContact CB-OH 3.48Å; A890-Y1018 PolarHBondContact N-OH 3.1Å; Y893-Y1018 HydrophobicContact CD2-CD1 4.39Å; Y893-Y1018 AromaticContact CD2-CE1 3.66Å; Y893-Y1018 HydrophobicContact CD2-CE1 3.66Å; Y893-Y1018 HydrophobicContact CE2-CE1 4.26Å; Y893-Y1018 HydrophobicContact CG-CE1 4.23Å; V1014-Y1018 HydrophobicContact CG1-CD2 3.8Å; V1014-Y1018 HydrophobicContact CG1-CE2 3.66Å; V1014-Y1018 WeakPolarHBondContact O-CD2 3.34Å; V1014-Y1018 PolarHBondContact O-N 3.32Å; N1015-Y1018 PolarHBondContact O-N 2.89Å; Y1018-L1020 VanDerWaalsContact C-N 3.29Å; Y1018-L1020 PolarHBondContact O-N 3.26Å; Y1018-V1021 PolarHBondContact O-N 3.29Å; Y1018-L1022 HydrophobicContact CD1-CD1 4.29Å; Y1018-L1022 CarbonylContact O-C 3.5Å; Y1018-L1022 WeakPolarHBondContact O-CA 3.42Å; Y1018-L1022 WeakPolarHBondContact O-CB 3.37Å; Y1018-L1022 PolarHBondContact O-N 3.25Å |
| 1019 | S | 82.5 | Confident | 80.8 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.7 | -30.8 | 173.9 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | N1015 R1016 F1017 P1023 | N1015-S1019 VanDerWaalsContact O-CB 3.23Å; N1015-S1019 WeakPolarHBondContact O-CB 3.45Å; N1015-S1019 PolarHBondContact O-N 3.25Å; N1015-S1019 PolarHBondContact O-OG 3.37Å; R1016-S1019 PolarHBondContact O-N 3.19Å; F1017-S1019 VanDerWaalsContact C-N 3.33Å; F1017-S1019 PolarHBondContact O-N 3.17Å; S1019-P1023 WeakPolarHBondContact O-CA 3.48Å |
| 1020 | L | 82.8 | Confident | 80.6 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 31% | 0.314 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -76.3 | -41.1 | 174.4 | -70.1 | 170.3 | 0 | 0 | 0 | 111.9 | A969 L972 R1016 F1017 Y1018 | A969-L1020 HydrophobicContact CB-CB 4.17Å; A969-L1020 HydrophobicContact CB-CD1 4.21Å; L972-L1020 HydrophobicContact CD2-CD1 4.45Å; R1016-L1020 HydrophobicContact CG-CD1 4.29Å; R1016-L1020 WeakPolarHBondContact O-CG 3.37Å; R1016-L1020 PolarHBondContact O-N 2.91Å; F1017-L1020 PolarHBondContact O-N 2.9Å; Y1018-L1020 VanDerWaalsContact C-N 3.29Å; Y1018-L1020 PolarHBondContact O-N 3.26Å |
| 1021 | V | 81.7 | Confident | 80.3 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 28% | 0.279 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81.9 | -31.4 | -176.4 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | Y893 A969 F1017 Y1018 | Y893-V1021 HydrophobicContact CD1-CG1 4.39Å; A969-V1021 HydrophobicContact CB-CG2 4.15Å; F1017-V1021 HydrophobicContact CD2-CG2 4.33Å; F1017-V1021 HydrophobicContact CE1-CG2 4.46Å; F1017-V1021 HydrophobicContact CE2-CG2 3.91Å; F1017-V1021 HydrophobicContact CZ-CG2 4Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.5Å; F1017-V1021 PolarHBondContact O-N 2.98Å; Y1018-V1021 PolarHBondContact O-N 3.29Å |
| 1022 | L | 81 | Confident | 79.6 | Confident | 38 Ų | 38 | 48.7 Ų | 48.7 | 20% | 0.199 | 25% | 0.253 | C | S | . | . | trans | -131.1 | 67.9 | -177.9 | -65.5 | 160.9 | 0 | 0 | 0 | 111.2 | L860 Y893 Y1018 S1024 A1025 I1027 | L860-L1022 HydrophobicContact CD2-CD1 3.95Å; Y893-L1022 HydrophobicContact CD1-CD1 3.93Å; Y893-L1022 HydrophobicContact CD1-CD2 4.36Å; Y893-L1022 HydrophobicContact CD1-CG 4.27Å; Y893-L1022 HydrophobicContact CE1-CD1 3.67Å; Y893-L1022 HydrophobicContact CE1-CD2 4.06Å; Y893-L1022 HydrophobicContact CE1-CG 4.24Å; Y893-L1022 HydrophobicContact CE2-CD1 4.48Å; Y893-L1022 HydrophobicContact CG-CD1 4.45Å; Y1018-L1022 HydrophobicContact CD1-CD1 4.29Å; Y1018-L1022 CarbonylContact O-C 3.5Å; Y1018-L1022 WeakPolarHBondContact O-CA 3.42Å; Y1018-L1022 WeakPolarHBondContact O-CB 3.37Å; Y1018-L1022 PolarHBondContact O-N 3.25Å; L1022-S1024 PolarHBondContact O-N 3.08Å; L1022-S1024 VanDerWaalsContact O-N 3.11Å; L1022-A1025 HydrophobicContact CB-CB 3.97Å; L1022-A1025 PolarHBondContact O-N 3.06Å; L1022-A1025 VanDerWaalsContact O-N 3.12Å; L1022-I1027 HydrophobicContact CB-CD1 3.89Å; L1022-I1027 HydrophobicContact CD1-CD1 4.45Å | ||
| 1023 | P | 72.4 | Confident | 78.9 | Confident | 98 Ų | 98 | 53.6 Ų | 53.6 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -57.8 | -33.4 | -175.2 | -22.4 | 32.2 | 0 | 0 | 0 | 113.4 | S1019 | S1019-P1023 WeakPolarHBondContact O-CA 3.48Š|
| 1024 | S | 70.8 | Confident | 78.2 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 83% | 0.832 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -77 | -19.4 | -176.1 | -40.6 | 0 | 0 | 0 | 0 | 113.8 | L1022 R1026 | L1022-S1024 PolarHBondContact O-N 3.08Å; L1022-S1024 VanDerWaalsContact O-N 3.11Å; S1024-R1026 VanDerWaalsContact C-N 3.33Å; S1024-R1026 PolarHBondContact O-N 3.38Å |
| 1025 | A | 73.9 | Confident | 77.2 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -80.9 | -12 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1022 I1027 R1030 | L1022-A1025 HydrophobicContact CB-CB 3.97Å; L1022-A1025 PolarHBondContact O-N 3.06Å; L1022-A1025 VanDerWaalsContact O-N 3.12Å; A1025-I1027 VanDerWaalsContact C-N 3.25Å; A1025-I1027 HydrophobicContact CB-CD1 3.64Å; A1025-I1027 HydrophobicContact CB-CG1 4.21Å; A1025-I1027 PolarHBondContact O-N 3.01Å; A1025-R1030 VanDerWaalsContact O-CD 3.23Å; A1025-R1030 WeakPolarHBondContact O-CD 3.35Å |
| 1026 | R | 75 | Confident | 75.9 | Confident | 199 Ų | 199 | 60.1 Ų | 60.1 | 75% | 0.751 | 31% | 0.312 | S | S | * | . | trans | 44.4 | 50.5 | -177.9 | -61.3 | -173.9 | 178.4 | -174.5 | -0.3 | 112.1 | S1024 E1028 S1029 R1030 | S1024-R1026 VanDerWaalsContact C-N 3.33Å; S1024-R1026 PolarHBondContact O-N 3.38Å; R1026-E1028 PolarHBondContact O-N 3.48Å; R1026-S1029 PolarHBondContact O-N 2.95Å; R1026-S1029 VanDerWaalsContact O-N 3.12Å; R1026-R1030 PolarHBondContact O-N 3Å | ||
| 1027 | I | 80 | Confident | 74.7 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51.9 | -44.1 | -173.7 | -69.9 | 95.2 | 0 | 0 | 0 | 111.1 | L860 L864 L1022 A1025 S1029 R1030 W1031 | L860-I1027 HydrophobicContact CD2-CG1 4.17Å; L864-I1027 HydrophobicContact CD1-CG2 4.22Å; L1022-I1027 HydrophobicContact CB-CD1 3.89Å; L1022-I1027 HydrophobicContact CD1-CD1 4.45Å; A1025-I1027 VanDerWaalsContact C-N 3.25Å; A1025-I1027 HydrophobicContact CB-CD1 3.64Å; A1025-I1027 HydrophobicContact CB-CG1 4.21Å; A1025-I1027 PolarHBondContact O-N 3.01Å; I1027-S1029 VanDerWaalsContact C-N 3.33Å; I1027-S1029 PolarHBondContact O-N 3.44Å; I1027-R1030 PolarHBondContact O-N 3.43Å; I1027-W1031 HydrophobicContact CG2-CB 4.43Å; I1027-W1031 HydrophobicContact CG2-CE3 4.42Å; I1027-W1031 WeakPolarHBondContact O-CB 3.47Å; I1027-W1031 PolarHBondContact O-N 3.11Å |
| 1028 | E | 77.4 | Confident | 73.6 | Confident | 66 Ų | 66 | 56.9 Ų | 56.9 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -50.4 | -49.1 | 179 | -173.9 | 179 | 146.4 | 0 | 0 | 113.3 | N1015 R1026 A1032 V1046 | N1015-E1028 PolarHBondContact ND2-OE2 3.13Å; N1015-E1028 PolarHBondContact OD1-N 2.96Å; R1026-E1028 PolarHBondContact O-N 3.48Å; E1028-A1032 VanDerWaalsContact O-CB 3.28Å; E1028-A1032 WeakPolarHBondContact O-CB 3.32Å; E1028-A1032 PolarHBondContact O-N 3.31Å; E1028-V1046 HydrophobicContact CG-CG2 3.51Å |
| 1029 | S | 70.4 | Confident | 72.5 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.6 | -40.3 | -179.1 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | R1026 I1027 Q1033 | R1026-S1029 PolarHBondContact O-N 2.95Å; R1026-S1029 VanDerWaalsContact O-N 3.12Å; I1027-S1029 VanDerWaalsContact C-N 3.33Å; I1027-S1029 PolarHBondContact O-N 3.44Å; S1029-Q1033 VanDerWaalsContact O-CG 3.29Å; S1029-Q1033 WeakPolarHBondContact O-CG 3.48Å; S1029-Q1033 PolarHBondContact O-N 3.2Å |
| 1030 | R | 75.7 | Confident | 71.7 | Confident | 77 Ų | 77 | 56.3 Ų | 56.3 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71 | -37.4 | 179.5 | -66.2 | 178.7 | 65.5 | -154.6 | -7.8 | 111.8 | S857 V858 P861 A1025 R1026 I1027 Q1033 T1034 | S857-R1030 PolarHBondContact O-NH1 3.12Å; S857-R1030 PolarHBondContact O-NH2 3.03Å; V858-R1030 PolarHBondContact O-NH2 2.88Å; P861-R1030 HydrophobicContact CB-CB 4.22Å; P861-R1030 HydrophobicContact CG-CB 3.73Å; A1025-R1030 VanDerWaalsContact O-CD 3.23Å; A1025-R1030 WeakPolarHBondContact O-CD 3.35Å; R1026-R1030 PolarHBondContact O-N 3Å; I1027-R1030 PolarHBondContact O-N 3.43Å; R1030-Q1033 PolarHBondContact O-N 3.47Å; R1030-T1034 PolarHBondContact O-N 3.41Å; R1030-T1034 VanDerWaalsContact O-N 3.1Å; R1030-T1034 PolarHBondContact O-OG1 3.39Å |
| 1031 | W | 79.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 175.5 | -169.3 | 6.3 | 0 | 0 | 0 | 110.3 | P861 L864 F868 V1011 V1014 I1027 Q1033 T1034 A1035 I1040 L1044 | P861-W1031 HydrophobicContact CB-CB 4.5Å; L864-W1031 HydrophobicContact CB-CD2 4.28Å; L864-W1031 HydrophobicContact CB-CH2 4.39Å; L864-W1031 HydrophobicContact CB-CZ2 4Å; L864-W1031 HydrophobicContact CD1-CE3 4.19Å; L864-W1031 HydrophobicContact CD1-CZ3 4.32Å; F868-W1031 AromaticContact CD2-CH2 3.77Å; F868-W1031 HydrophobicContact CD2-CH2 3.77Å; F868-W1031 AromaticContact CD2-CZ2 3.59Å; F868-W1031 HydrophobicContact CD2-CZ2 3.59Å; F868-W1031 AromaticContact CE2-CH2 3.48Å; F868-W1031 HydrophobicContact CE2-CH2 3.48Å; F868-W1031 VanDerWaalsContact CE2-CH2 3.48Å; F868-W1031 AromaticContact CE2-CZ2 3.84Å; F868-W1031 HydrophobicContact CE2-CZ2 3.84Å; F868-W1031 HydrophobicContact CG-CH2 4.4Å; F868-W1031 HydrophobicContact CG-CZ2 4.06Å; F868-W1031 AromaticContact CZ-CH2 3.91Å; F868-W1031 HydrophobicContact CZ-CH2 3.91Å; F868-W1031 HydrophobicContact CZ-CZ2 4.5Å; V1011-W1031 HydrophobicContact CG1-CH2 4Å; V1011-W1031 HydrophobicContact CG1-CZ3 4.12Å; V1011-W1031 HydrophobicContact CG2-CH2 4.4Å; V1014-W1031 HydrophobicContact CG1-CH2 4.36Å; V1014-W1031 HydrophobicContact CG1-CZ3 4.22Å; I1027-W1031 HydrophobicContact CG2-CB 4.43Å; I1027-W1031 HydrophobicContact CG2-CE3 4.42Å; I1027-W1031 WeakPolarHBondContact O-CB 3.47Å; I1027-W1031 PolarHBondContact O-N 3.11Å; W1031-Q1033 VanDerWaalsContact C-N 3.27Å; W1031-Q1033 PolarHBondContact O-N 3.02Å; W1031-T1034 CarbonylContact O-C 3.55Å; W1031-T1034 PolarHBondContact O-N 2.85Å; W1031-A1035 VanDerWaalsContact O-CB 3.26Å; W1031-A1035 WeakPolarHBondContact O-CB 3.46Å; W1031-A1035 PolarHBondContact O-N 2.99Å; W1031-I1040 HydrophobicContact CZ2-CG2 4.09Å; W1031-L1044 HydrophobicContact CB-CD1 4.22Å; W1031-L1044 HydrophobicContact CD2-CD1 4.12Å; W1031-L1044 HydrophobicContact CD2-CD2 4.34Å; W1031-L1044 HydrophobicContact CE3-CD1 4.31Å; W1031-L1044 HydrophobicContact CE3-CD2 3.7Å; W1031-L1044 HydrophobicContact CG-CD1 4.1Å; W1031-L1044 HydrophobicContact CZ3-CD2 3.97Å |
| 1032 | A | 72.3 | Confident | 70.4 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -31.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1028 L1044 V1046 M1052 | E1028-A1032 VanDerWaalsContact O-CB 3.28Å; E1028-A1032 WeakPolarHBondContact O-CB 3.32Å; E1028-A1032 PolarHBondContact O-N 3.31Å; A1032-L1044 HydrophobicContact CB-CD1 4.2Å; A1032-V1046 HydrophobicContact CB-CB 4.2Å; A1032-V1046 HydrophobicContact CB-CG1 4.34Å; A1032-V1046 HydrophobicContact CB-CG2 3.69Å; A1032-M1052 HydrophobicContact CB-CE 4.37Å |
| 1033 | Q | 67.5 | Low | 70 | Confident | 143 Ų | 143 | 53 Ų | 53 | 67% | 0.668 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.4 | -31.4 | 172.8 | -76.4 | 173 | -0.5 | 0 | 0 | 113.2 | S1029 R1030 W1031 | S1029-Q1033 VanDerWaalsContact O-CG 3.29Å; S1029-Q1033 WeakPolarHBondContact O-CG 3.48Å; S1029-Q1033 PolarHBondContact O-N 3.2Å; R1030-Q1033 PolarHBondContact O-N 3.47Å; W1031-Q1033 VanDerWaalsContact C-N 3.27Å; W1031-Q1033 PolarHBondContact O-N 3.02Å |
| 1034 | T | 68.4 | Low | 70.1 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -83.3 | -34.7 | 178.7 | -44.3 | 0 | 0 | 0 | 0 | 111 | L862 H865 R1030 W1031 L1036 | L862-T1034 HydrophobicContact CB-CG2 4.3Å; L862-T1034 HydrophobicContact CD1-CG2 3.94Å; H865-T1034 HydrophobicContact CB-CG2 4.46Å; R1030-T1034 PolarHBondContact O-N 3.41Å; R1030-T1034 VanDerWaalsContact O-N 3.1Å; R1030-T1034 PolarHBondContact O-OG1 3.39Å; W1031-T1034 CarbonylContact O-C 3.55Å; W1031-T1034 PolarHBondContact O-N 2.85Å; T1034-L1036 PolarHBondContact O-N 2.8Å |
| 1035 | A | 67 | Low | 70.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -82 | 92.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | W1031 H1037 I1040 M1041 | W1031-A1035 VanDerWaalsContact O-CB 3.26Å; W1031-A1035 WeakPolarHBondContact O-CB 3.46Å; W1031-A1035 PolarHBondContact O-N 2.99Å; A1035-H1037 PolarHBondContact O-N 3.34Å; A1035-I1040 HydrophobicContact CB-CB 4.42Å; A1035-I1040 HydrophobicContact CB-CG2 4.19Å; A1035-M1041 WeakPolarHBondContact O-CG 3.44Å | ||
| 1036 | L | 58.3 | Low | 70.1 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 59% | 0.586 | 23% | 0.232 | S | C | * | . | trans | -71 | -10.9 | 160.9 | -83.7 | 160.8 | 0 | 0 | 0 | 112 | T1034 I1038 | T1034-L1036 PolarHBondContact O-N 2.8Å; L1036-I1038 PolarHBondContact O-N 3.44Å | ||
| 1037 | H | 58.9 | Low | 69.7 | Low | 52 Ų | 52 | 42.8 Ų | 42.8 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | trans | -72.3 | 118.4 | 174 | -87.4 | -141.6 | 0 | 0 | 0 | 112.1 | L869 A1035 A1039 I1040 M1041 | L869-H1037 HydrophobicContact CD2-CB 4.49Å; L869-H1037 VanDerWaalsContact CD2-CE1 3.47Å; L869-H1037 WeakPolarHBondContact CD2-CE1 3.34Å; L869-H1037 WeakPolarHBondContact CD2-ND1 3.41Å; A1035-H1037 PolarHBondContact O-N 3.34Å; H1037-A1039 PolarHBondContact O-N 3.34Å; H1037-I1040 HydrophobicContact CB-CD1 4.45Å; H1037-I1040 PolarHBondContact O-N 2.77Å; H1037-M1041 PolarHBondContact O-N 2.96Å | ||
| 1038 | I | 64.2 | Low | 69.4 | Low | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -38.8 | -165.7 | -71.3 | 175.1 | 0 | 0 | 0 | 111.8 | L1036 I1040 M1041 R1042 E1077 I1078 T1081 | L1036-I1038 PolarHBondContact O-N 3.44Å; I1038-I1040 PolarHBondContact O-N 3.02Å; I1038-M1041 HydrophobicContact CG1-CE 4.24Å; I1038-M1041 PolarHBondContact O-N 2.96Å; I1038-R1042 PolarHBondContact O-N 3.23Å; I1038-E1077 HydrophobicContact CG2-CG 4.23Å; I1038-E1077 VanDerWaalsContact CG2-O 3.25Å; I1038-E1077 WeakPolarHBondContact CG2-O 3.46Å; I1038-I1078 HydrophobicContact CD1-CB 3.94Å; I1038-I1078 HydrophobicContact CD1-CD1 3.56Å; I1038-I1078 HydrophobicContact CD1-CG1 3.38Å; I1038-I1078 HydrophobicContact CD1-CG2 4.14Å; I1038-T1081 HydrophobicContact CG2-CG2 3.48Å; I1038-T1081 VanDerWaalsContact CG2-CG2 3.48Å; I1038-T1081 WeakPolarHBondContact CG2-OG1 3.18Å; I1038-T1081 WeakPolarHBondContact O-CG2 3.46Å |
| 1039 | A | 62.6 | Low | 69.2 | Low | 24 Ų | 24 | 42.9 Ų | 42.9 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1007 H1037 R1042 A1043 E1077 | M1007-A1039 HydrophobicContact CE-CB 3.8Å; H1037-A1039 PolarHBondContact O-N 3.34Å; A1039-R1042 WeakPolarHBondContact O-CB 3.32Å; A1039-R1042 PolarHBondContact O-N 2.89Å; A1039-A1043 WeakPolarHBondContact O-CB 3.28Å; A1039-A1043 PolarHBondContact O-N 3.17Å; A1039-E1077 WeakPolarHBondContact CA-OE1 3.24Å; A1039-E1077 VanDerWaalsContact CB-OE1 3.23Å; A1039-E1077 WeakPolarHBondContact CB-OE1 3.47Å |
| 1040 | I | 66.2 | Low | 69.3 | Low | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.9 | -40.7 | 178.5 | -62.5 | 175 | 0 | 0 | 0 | 109.8 | F868 L869 W1031 A1035 H1037 I1038 R1042 A1043 L1044 | F868-I1040 HydrophobicContact CB-CD1 4.16Å; L869-I1040 HydrophobicContact CD2-CD1 4.32Å; W1031-I1040 HydrophobicContact CZ2-CG2 4.09Å; A1035-I1040 HydrophobicContact CB-CB 4.42Å; A1035-I1040 HydrophobicContact CB-CG2 4.19Å; H1037-I1040 HydrophobicContact CB-CD1 4.45Å; H1037-I1040 PolarHBondContact O-N 2.77Å; I1038-I1040 PolarHBondContact O-N 3.02Å; I1040-R1042 VanDerWaalsContact C-N 3.33Å; I1040-R1042 PolarHBondContact O-N 2.91Å; I1040-A1043 PolarHBondContact O-N 2.99Å; I1040-L1044 HydrophobicContact CG2-CD1 4.08Å; I1040-L1044 HydrophobicContact CG2-CG 4.38Å; I1040-L1044 WeakPolarHBondContact O-CG 3.43Å; I1040-L1044 PolarHBondContact O-N 2.86Å |
| 1041 | M | 66.3 | Low | 69.2 | Low | 13 Ų | 13 | 46.8 Ų | 46.8 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 172.9 | -76.1 | -161.7 | -77.9 | 0 | 0 | 111.9 | A1035 H1037 I1038 A1043 L1044 R1045 L1048 M1052 I1056 | A1035-M1041 WeakPolarHBondContact O-CG 3.44Å; H1037-M1041 PolarHBondContact O-N 2.96Å; I1038-M1041 HydrophobicContact CG1-CE 4.24Å; I1038-M1041 PolarHBondContact O-N 2.96Å; M1041-A1043 PolarHBondContact O-N 2.94Å; M1041-L1044 PolarHBondContact O-N 3.41Å; M1041-R1045 PolarHBondContact O-N 3.24Å; M1041-L1048 HydrophobicContact SD-CD2 4.49Å; M1041-M1052 HydrophobicContact SD-CE 3.49Å; M1041-M1052 WeakPolarHBondContact SD-CE 3.44Å; M1041-I1056 HydrophobicContact CE-CD1 4.08Å; M1041-I1056 HydrophobicContact CE-CG1 4.4Å |
| 1042 | R | 71.2 | Confident | 69 | Low | 58 Ų | 58 | 48.3 Ų | 48.3 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 174.8 | -176.1 | 168.1 | 62.2 | -170.9 | -2.8 | 111.9 | I1038 A1039 I1040 R1045 E1077 T1080 T1081 A1084 | I1038-R1042 PolarHBondContact O-N 3.23Å; A1039-R1042 WeakPolarHBondContact O-CB 3.32Å; A1039-R1042 PolarHBondContact O-N 2.89Å; I1040-R1042 VanDerWaalsContact C-N 3.33Å; I1040-R1042 PolarHBondContact O-N 2.91Å; R1042-R1045 PolarHBondContact O-N 3.1Å; R1042-E1077 IonicContact CZ-OE1 2.68Å; R1042-E1077 VanDerWaalsContact CZ-OE1 3.29Å; R1042-E1077 IonicContact CZ-OE2 3.24Å; R1042-E1077 IonicContact NE-OE1 2.94Å; R1042-E1077 IonicContact NH1-OE1 3.27Å; R1042-E1077 IonicContact NH1-OE2 3.86Å; R1042-E1077 PolarHBondContact NH1-OE2 3.28Å; R1042-E1077 IonicContact NH2-OE1 3.79Å; R1042-E1077 PolarHBondContact NH2-OE1 3.28Å; R1042-E1077 IonicContact NH2-OE2 2.82Å; R1042-E1077 PolarHBondContact NH2-OE2 3.32Å; R1042-T1080 PolarHBondContact NH1-OG1 3.01Å; R1042-T1081 HydrophobicContact CB-CG2 3.96Å; R1042-A1084 HydrophobicContact CG-CB 3.79Å |
| 1043 | A | 71.6 | Confident | 69.3 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.7 | -36.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1011 Q1012 A1039 I1040 M1041 R1045 | V1011-A1043 HydrophobicContact CB-CB 3.96Å; V1011-A1043 HydrophobicContact CG1-CB 3.9Å; V1011-A1043 HydrophobicContact CG2-CB 4.26Å; Q1012-A1043 PolarHBondContact NE2-O 2.91Å; A1039-A1043 WeakPolarHBondContact O-CB 3.28Å; A1039-A1043 PolarHBondContact O-N 3.17Å; I1040-A1043 PolarHBondContact O-N 2.99Å; M1041-A1043 PolarHBondContact O-N 2.94Å; A1043-R1045 VanDerWaalsContact C-N 3.28Å; A1043-R1045 PolarHBondContact O-N 3.22Å |
| 1044 | L | 75 | Confident | 69.9 | Low | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.4 | -21 | 177.5 | -73 | 171.1 | 0 | 0 | 0 | 113.3 | V1011 N1015 W1031 A1032 I1040 M1041 V1046 | V1011-L1044 HydrophobicContact CG1-CD2 3.59Å; V1011-L1044 HydrophobicContact CG1-CG 3.83Å; N1015-L1044 HydrophobicContact CB-CD2 3.97Å; W1031-L1044 HydrophobicContact CB-CD1 4.22Å; W1031-L1044 HydrophobicContact CD2-CD1 4.12Å; W1031-L1044 HydrophobicContact CD2-CD2 4.34Å; W1031-L1044 HydrophobicContact CE3-CD1 4.31Å; W1031-L1044 HydrophobicContact CE3-CD2 3.7Å; W1031-L1044 HydrophobicContact CG-CD1 4.1Å; W1031-L1044 HydrophobicContact CZ3-CD2 3.97Å; A1032-L1044 HydrophobicContact CB-CD1 4.2Å; I1040-L1044 HydrophobicContact CG2-CD1 4.08Å; I1040-L1044 HydrophobicContact CG2-CG 4.38Å; I1040-L1044 WeakPolarHBondContact O-CG 3.43Å; I1040-L1044 PolarHBondContact O-N 2.86Å; M1041-L1044 PolarHBondContact O-N 3.41Å; L1044-V1046 VanDerWaalsContact C-N 3.29Å; L1044-V1046 HydrophobicContact CB-CG2 3.71Å; L1044-V1046 PolarHBondContact O-N 2.82Å |
| 1045 | R | 72.5 | Confident | 70.1 | Confident | 143 Ų | 143 | 42 Ų | 42 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 30.5 | -178.5 | -59.3 | -175.7 | 179.2 | 153.8 | 0.8 | 115 | M1041 R1042 A1043 N1088 | M1041-R1045 PolarHBondContact O-N 3.24Å; R1042-R1045 PolarHBondContact O-N 3.1Å; A1043-R1045 VanDerWaalsContact C-N 3.28Å; A1043-R1045 PolarHBondContact O-N 3.22Å; R1045-N1088 WeakPolarHBondContact CA-ND2 3.34Å |
| 1046 | V | 71.7 | Confident | 70.7 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 13% | 0.127 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 132.5 | 178.1 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | E1028 A1032 L1044 L1048 | E1028-V1046 HydrophobicContact CG-CG2 3.51Å; A1032-V1046 HydrophobicContact CB-CB 4.2Å; A1032-V1046 HydrophobicContact CB-CG1 4.34Å; A1032-V1046 HydrophobicContact CB-CG2 3.69Å; L1044-V1046 VanDerWaalsContact C-N 3.29Å; L1044-V1046 HydrophobicContact CB-CG2 3.71Å; L1044-V1046 PolarHBondContact O-N 2.82Å; V1046-L1048 PolarHBondContact O-N 2.99Å |
| 1047 | P | 68.4 | Low | 71.7 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 33% | 0.331 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 127.1 | 172.3 | 24.8 | -32.3 | 0 | 0 | 0 | 110.4 | T1049 M1089 | P1047-T1049 PolarHBondContact O-N 3.23Å; P1047-M1089 HydrophobicContact CB-CG 4.43Å |
| 1048 | L | 73 | Confident | 72.7 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 130.8 | -179.7 | -68.5 | -179.8 | 0 | 0 | 0 | 111 | M1041 V1046 M1052 V1053 I1056 L1082 S1085 | M1041-L1048 HydrophobicContact SD-CD2 4.49Å; V1046-L1048 PolarHBondContact O-N 2.99Å; L1048-M1052 HydrophobicContact CD2-CB 4.12Å; L1048-M1052 HydrophobicContact CD2-CE 3.65Å; L1048-M1052 HydrophobicContact CD2-SD 4.32Å; L1048-V1053 HydrophobicContact CB-CG2 3.99Å; L1048-V1053 HydrophobicContact CD1-CG2 4.25Å; L1048-I1056 HydrophobicContact CD1-CD1 4.13Å; L1048-I1056 HydrophobicContact CD2-CD1 4.16Å; L1048-L1082 HydrophobicContact CD1-CD2 3.87Å; L1048-S1085 VanDerWaalsContact CD1-CB 3.43Å; L1048-S1085 WeakPolarHBondContact CD1-OG 3.32Å |
| 1049 | T | 72.3 | Confident | 73.4 | Confident | 68 Ų | 68 | 37.7 Ų | 37.7 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -85.2 | 156.5 | 169.5 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | P1047 R1051 M1052 V1053 | P1047-T1049 PolarHBondContact O-N 3.23Å; T1049-R1051 PolarHBondContact O-N 3.37Å; T1049-R1051 VanDerWaalsContact O-N 3.12Å; T1049-M1052 HydrophobicContact CG2-SD 4.47Å; T1049-M1052 WeakPolarHBondContact O-CB 3.28Å; T1049-M1052 PolarHBondContact O-N 2.84Å; T1049-M1052 WeakPolarHBondContact OG1-CG 3.09Å; T1049-M1052 PolarHBondContact OG1-N 3.13Å; T1049-V1053 PolarHBondContact O-N 3Å |
| 1050 | S | 73.1 | Confident | 74.3 | Confident | 18 Ų | 18 | 36.5 Ų | 36.5 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.2 | -33.8 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 113 | V1053 N1054 Q1176 | S1050-V1053 PolarHBondContact O-N 2.91Å; S1050-N1054 PolarHBondContact O-N 2.78Å; S1050-Q1176 VanDerWaalsContact OG-CD 3.32Å; S1050-Q1176 PolarHBondContact OG-NE2 3.42Å; S1050-Q1176 PolarHBondContact OG-OE1 3.13Å |
| 1051 | R | 74.4 | Confident | 75.1 | Confident | 195 Ų | 195 | 36.4 Ų | 36.4 | 74% | 0.736 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -66.9 | -39.6 | 175.1 | -171.2 | -177.3 | -70.8 | 177.4 | -0.8 | 112.8 | T1049 N1054 S1055 | T1049-R1051 PolarHBondContact O-N 3.37Å; T1049-R1051 VanDerWaalsContact O-N 3.12Å; R1051-N1054 PolarHBondContact O-N 3.36Å; R1051-S1055 PolarHBondContact O-N 2.6Å; R1051-S1055 VanDerWaalsContact O-N 3.15Å |
| 1052 | M | 74 | Confident | 75.7 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 16% | 0.158 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 176.2 | -67.1 | 167.6 | 77 | 0 | 0 | 110.7 | A1032 M1041 L1048 T1049 N1054 S1055 I1056 | A1032-M1052 HydrophobicContact CB-CE 4.37Å; M1041-M1052 HydrophobicContact SD-CE 3.49Å; M1041-M1052 WeakPolarHBondContact SD-CE 3.44Å; L1048-M1052 HydrophobicContact CD2-CB 4.12Å; L1048-M1052 HydrophobicContact CD2-CE 3.65Å; L1048-M1052 HydrophobicContact CD2-SD 4.32Å; T1049-M1052 HydrophobicContact CG2-SD 4.47Å; T1049-M1052 WeakPolarHBondContact O-CB 3.28Å; T1049-M1052 PolarHBondContact O-N 2.84Å; T1049-M1052 WeakPolarHBondContact OG1-CG 3.09Å; T1049-M1052 PolarHBondContact OG1-N 3.13Å; M1052-N1054 VanDerWaalsContact C-N 3.28Å; M1052-N1054 PolarHBondContact O-N 3.3Å; M1052-S1055 WeakPolarHBondContact O-CB 3.25Å; M1052-S1055 PolarHBondContact O-N 3.4Å; M1052-S1055 VanDerWaalsContact O-N 3.08Å; M1052-I1056 WeakPolarHBondContact O-CG1 3.41Å; M1052-I1056 PolarHBondContact O-N 3.43Å |
| 1053 | V | 78.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | L1048 T1049 S1050 S1055 I1056 L1057 A1173 Q1176 L1177 I1180 | L1048-V1053 HydrophobicContact CB-CG2 3.99Å; L1048-V1053 HydrophobicContact CD1-CG2 4.25Å; T1049-V1053 PolarHBondContact O-N 3Å; S1050-V1053 PolarHBondContact O-N 2.91Å; V1053-S1055 VanDerWaalsContact C-N 3.35Å; V1053-S1055 PolarHBondContact O-N 2.94Å; V1053-I1056 PolarHBondContact O-N 3.04Å; V1053-L1057 WeakPolarHBondContact O-CB 3.39Å; V1053-L1057 PolarHBondContact O-N 3.28Å; V1053-A1173 HydrophobicContact CG2-CB 4.3Å; V1053-Q1176 HydrophobicContact CG1-CB 3.85Å; V1053-L1177 HydrophobicContact CG1-CD2 4.15Å; V1053-L1177 HydrophobicContact CG1-CG 4.48Å; V1053-L1177 HydrophobicContact CG2-CD2 4.29Å; V1053-L1177 HydrophobicContact CG2-CG 4.44Å; V1053-I1180 HydrophobicContact CG1-CD1 3.89Å |
| 1054 | N | 80.1 | Confident | 76.4 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 175.3 | -80.7 | -19.6 | 0 | 0 | 0 | 113.7 | S1050 R1051 M1052 L1057 A1058 Q1176 L1521 S1524 L1526 | S1050-N1054 PolarHBondContact O-N 2.78Å; R1051-N1054 PolarHBondContact O-N 3.36Å; M1052-N1054 VanDerWaalsContact C-N 3.28Å; M1052-N1054 PolarHBondContact O-N 3.3Å; N1054-L1057 PolarHBondContact O-N 3.39Å; N1054-A1058 WeakPolarHBondContact O-CB 3.32Å; N1054-A1058 PolarHBondContact O-N 3.47Å; N1054-Q1176 PolarHBondContact OD1-NE2 3.22Å; N1054-L1521 HydrophobicContact CB-CD2 4.41Å; N1054-L1521 VanDerWaalsContact O-CD2 3.27Å; N1054-L1521 WeakPolarHBondContact O-CD2 3.25Å; N1054-S1524 VanDerWaalsContact CG-OG 3.3Å; N1054-S1524 PolarHBondContact ND2-OG 3.28Å; N1054-S1524 WeakPolarHBondContact OD1-CB 3.34Å; N1054-S1524 PolarHBondContact OD1-OG 3.41Å; N1054-L1526 HydrophobicContact CB-CD1 3.42Å; N1054-L1526 VanDerWaalsContact CB-CD1 3.42Å; N1054-L1526 WeakPolarHBondContact ND2-CD1 3.32Å |
| 1055 | S | 73 | Confident | 76.4 | Confident | 56 Ų | 56 | 35.9 Ų | 35.9 | 39% | 0.392 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | R1051 M1052 V1053 L1057 A1058 R1059 | R1051-S1055 PolarHBondContact O-N 2.6Å; R1051-S1055 VanDerWaalsContact O-N 3.15Å; M1052-S1055 WeakPolarHBondContact O-CB 3.25Å; M1052-S1055 PolarHBondContact O-N 3.4Å; M1052-S1055 VanDerWaalsContact O-N 3.08Å; V1053-S1055 VanDerWaalsContact C-N 3.35Å; V1053-S1055 PolarHBondContact O-N 2.94Å; S1055-L1057 VanDerWaalsContact C-N 3.32Å; S1055-A1058 PolarHBondContact O-N 3.26Å; S1055-R1059 PolarHBondContact O-N 3.42Å |
| 1056 | I | 79.4 | Confident | 76.6 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 176.4 | -63.8 | 166.5 | 0 | 0 | 0 | 110.2 | M1041 L1048 M1052 V1053 R1059 L1060 I1078 L1082 | M1041-I1056 HydrophobicContact CE-CD1 4.08Å; M1041-I1056 HydrophobicContact CE-CG1 4.4Å; L1048-I1056 HydrophobicContact CD1-CD1 4.13Å; L1048-I1056 HydrophobicContact CD2-CD1 4.16Å; M1052-I1056 WeakPolarHBondContact O-CG1 3.41Å; M1052-I1056 PolarHBondContact O-N 3.43Å; V1053-I1056 PolarHBondContact O-N 3.04Å; I1056-R1059 WeakPolarHBondContact O-CB 3.46Å; I1056-R1059 PolarHBondContact O-N 2.88Å; I1056-L1060 WeakPolarHBondContact O-CB 3.4Å; I1056-L1060 PolarHBondContact O-N 3.23Å; I1056-I1078 HydrophobicContact CG2-CG2 3.39Å; I1056-L1082 HydrophobicContact CD1-CD2 4.12Å; I1056-L1082 HydrophobicContact CG2-CD1 4.42Å; I1056-L1082 HydrophobicContact CG2-CD2 3.96Å; I1056-L1082 HydrophobicContact CG2-CG 4.37Å |
| 1057 | L | 79.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.5 | 178.8 | 60.4 | 0 | 0 | 0 | 112.4 | V1053 N1054 S1055 R1059 L1060 A1061 I1180 L1517 L1520 L1521 | V1053-L1057 WeakPolarHBondContact O-CB 3.39Å; V1053-L1057 PolarHBondContact O-N 3.28Å; N1054-L1057 PolarHBondContact O-N 3.39Å; S1055-L1057 VanDerWaalsContact C-N 3.32Å; L1057-R1059 PolarHBondContact O-N 2.93Å; L1057-L1060 PolarHBondContact O-N 3.32Å; L1057-A1061 VanDerWaalsContact O-CB 3.3Å; L1057-A1061 WeakPolarHBondContact O-CB 3.45Å; L1057-A1061 PolarHBondContact O-N 3.01Å; L1057-I1180 HydrophobicContact CB-CD1 4.29Å; L1057-I1180 HydrophobicContact CD1-CD1 3.88Å; L1057-I1180 HydrophobicContact CD1-CG1 3.71Å; L1057-I1180 HydrophobicContact CG-CD1 4.46Å; L1057-L1517 HydrophobicContact CD1-CB 3.88Å; L1057-L1517 HydrophobicContact CD1-CD2 3.5Å; L1057-L1517 VanDerWaalsContact CD1-CD2 3.5Å; L1057-L1517 HydrophobicContact CD1-CG 4.16Å; L1057-L1520 HydrophobicContact CD1-CD2 4.38Å; L1057-L1520 HydrophobicContact CD2-CB 4.03Å; L1057-L1520 HydrophobicContact CD2-CD2 3.66Å; L1057-L1520 HydrophobicContact CD2-CG 3.7Å; L1057-L1521 HydrophobicContact CB-CD2 3.9Å; L1057-L1521 HydrophobicContact CB-CG 4.36Å; L1057-L1521 HydrophobicContact CD2-CD2 3.65Å; L1057-L1521 HydrophobicContact CD2-CG 3.58Å; L1057-L1521 HydrophobicContact CG-CD1 4.06Å; L1057-L1521 HydrophobicContact CG-CD2 3.7Å; L1057-L1521 HydrophobicContact CG-CG 3.62Å |
| 1058 | A | 79.5 | Confident | 76.4 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 22% | 0.223 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1054 S1055 E1062 L1521 | N1054-A1058 WeakPolarHBondContact O-CB 3.32Å; N1054-A1058 PolarHBondContact O-N 3.47Å; S1055-A1058 PolarHBondContact O-N 3.26Å; A1058-E1062 PolarHBondContact O-N 3.46Å; A1058-L1521 HydrophobicContact CB-CD1 4.11Å; A1058-L1521 HydrophobicContact CB-CD2 4.21Å |
| 1059 | R | 79.6 | Confident | 76.1 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -45.7 | 176.3 | -164.6 | 71.4 | -179.4 | 104.1 | 14.7 | 112.4 | S1055 I1056 L1057 A1061 E1062 I1063 Y1074 I1078 | S1055-R1059 PolarHBondContact O-N 3.42Å; I1056-R1059 WeakPolarHBondContact O-CB 3.46Å; I1056-R1059 PolarHBondContact O-N 2.88Å; L1057-R1059 PolarHBondContact O-N 2.93Å; R1059-A1061 VanDerWaalsContact C-N 3.34Å; R1059-A1061 PolarHBondContact O-N 2.94Å; R1059-E1062 IonicContact NH1-OE2 3.82Å; R1059-E1062 PolarHBondContact NH1-OE2 2.62Å; R1059-E1062 WeakPolarHBondContact O-CB 3.48Å; R1059-E1062 PolarHBondContact O-N 3.43Å; R1059-I1063 HydrophobicContact CG-CD1 4.02Å; R1059-I1063 VanDerWaalsContact CZ-CD1 3.41Å; R1059-I1063 WeakPolarHBondContact O-CG1 3.37Å; R1059-I1063 PolarHBondContact O-N 3.01Å; R1059-Y1074 HydrophobicContact CG-CE1 3.98Å; R1059-I1078 HydrophobicContact CG-CD1 4.32Å |
| 1060 | L | 81.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 177.1 | -175.5 | 66.4 | 0 | 0 | 0 | 111.5 | I1056 L1057 E1062 I1063 I1064 V1075 I1078 M1079 I1180 M1184 L1517 | I1056-L1060 WeakPolarHBondContact O-CB 3.4Å; I1056-L1060 PolarHBondContact O-N 3.23Å; L1057-L1060 PolarHBondContact O-N 3.32Å; L1060-E1062 PolarHBondContact O-N 3.16Å; L1060-I1063 PolarHBondContact O-N 3.47Å; L1060-I1064 HydrophobicContact CD1-CD1 4.42Å; L1060-I1064 HydrophobicContact CG-CD1 4.49Å; L1060-I1064 WeakPolarHBondContact O-CB 3.46Å; L1060-I1064 PolarHBondContact O-N 2.95Å; L1060-V1075 HydrophobicContact CD1-CG1 3.98Å; L1060-V1075 HydrophobicContact CD1-CG2 4.27Å; L1060-I1078 HydrophobicContact CD1-CB 4.47Å; L1060-I1078 HydrophobicContact CD1-CG2 4.33Å; L1060-M1079 HydrophobicContact CD2-SD 4.16Å; L1060-I1180 HydrophobicContact CD2-CG2 3.9Å; L1060-M1184 HydrophobicContact CD2-SD 4.32Å; L1060-L1517 HydrophobicContact CD2-CD1 4.02Å; L1060-L1517 HydrophobicContact CD2-CD2 4.37Å; L1060-L1517 HydrophobicContact CG-CD1 3.97Å |
| 1061 | A | 81.8 | Confident | 75.6 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -23 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1057 R1059 R1514 L1517 V1518 L1521 | L1057-A1061 VanDerWaalsContact O-CB 3.3Å; L1057-A1061 WeakPolarHBondContact O-CB 3.45Å; L1057-A1061 PolarHBondContact O-N 3.01Å; R1059-A1061 VanDerWaalsContact C-N 3.34Å; R1059-A1061 PolarHBondContact O-N 2.94Å; A1061-R1514 WeakPolarHBondContact O-CD 3.31Å; A1061-R1514 WeakPolarHBondContact O-CG 3.44Å; A1061-R1514 PolarHBondContact O-NE 3.32Å; A1061-R1514 VanDerWaalsContact O-NE 3.12Å; A1061-L1517 HydrophobicContact CB-CB 3.89Å; A1061-V1518 HydrophobicContact CB-CG2 4.07Å; A1061-L1521 HydrophobicContact CB-CD1 4.22Å |
| 1062 | E | 78.8 | Confident | 75.3 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -76.1 | -40.2 | 174.8 | -170.7 | 172.7 | -143.1 | 0 | 0 | 111.2 | A1058 R1059 L1060 S1533 | A1058-E1062 PolarHBondContact O-N 3.46Å; R1059-E1062 IonicContact NH1-OE2 3.82Å; R1059-E1062 PolarHBondContact NH1-OE2 2.62Å; R1059-E1062 WeakPolarHBondContact O-CB 3.48Å; R1059-E1062 PolarHBondContact O-N 3.43Å; L1060-E1062 PolarHBondContact O-N 3.16Å; E1062-S1533 PolarHBondContact OE1-N 2.94Å |
| 1063 | I | 79.9 | Confident | 75.1 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -94 | -27.4 | -166.3 | -60.6 | 170.3 | 0 | 0 | 0 | 113.5 | R1059 L1060 C1065 E1066 M1071 Y1074 V1075 | R1059-I1063 HydrophobicContact CG-CD1 4.02Å; R1059-I1063 VanDerWaalsContact CZ-CD1 3.41Å; R1059-I1063 WeakPolarHBondContact O-CG1 3.37Å; R1059-I1063 PolarHBondContact O-N 3.01Å; L1060-I1063 PolarHBondContact O-N 3.47Å; I1063-C1065 PolarHBondContact O-N 2.98Å; I1063-E1066 WeakPolarHBondContact O-CB 3.44Å; I1063-E1066 PolarHBondContact O-N 3.31Å; I1063-M1071 HydrophobicContact CB-CE 4.31Å; I1063-M1071 HydrophobicContact CB-SD 4.31Å; I1063-M1071 HydrophobicContact CD1-CE 4.42Å; I1063-M1071 HydrophobicContact CD1-SD 4.25Å; I1063-M1071 HydrophobicContact CG1-CE 3.84Å; I1063-M1071 HydrophobicContact CG1-SD 4.13Å; I1063-M1071 HydrophobicContact CG2-CB 3.75Å; I1063-M1071 HydrophobicContact CG2-CE 3.82Å; I1063-M1071 HydrophobicContact CG2-CG 3.99Å; I1063-M1071 HydrophobicContact CG2-SD 3.31Å; I1063-M1071 WeakPolarHBondContact CG2-SD 3.42Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.22Å; I1063-Y1074 HydrophobicContact CD1-CE1 3.2Å; I1063-V1075 HydrophobicContact CB-CG2 4.35Å; I1063-V1075 HydrophobicContact CG2-CG2 3.73Å |
| 1064 | I | 78 | Confident | 75 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.4 | -167.9 | -156.3 | 153.5 | 0 | 0 | 0 | 115.2 | L1060 M1184 Q1510 V1513 R1514 L1517 | L1060-I1064 HydrophobicContact CD1-CD1 4.42Å; L1060-I1064 HydrophobicContact CG-CD1 4.49Å; L1060-I1064 WeakPolarHBondContact O-CB 3.46Å; L1060-I1064 PolarHBondContact O-N 2.95Å; I1064-M1184 HydrophobicContact CD1-CE 3.65Å; I1064-M1184 HydrophobicContact CD1-SD 3.25Å; I1064-M1184 WeakPolarHBondContact CD1-SD 3.42Å; I1064-Q1510 VanDerWaalsContact O-CD 3.3Å; I1064-Q1510 PolarHBondContact O-OE1 3.16Å; I1064-Q1510 VanDerWaalsContact O-OE1 3.09Å; I1064-V1513 HydrophobicContact CD1-CG1 3.55Å; I1064-V1513 HydrophobicContact CG1-CG1 4.37Å; I1064-R1514 HydrophobicContact CG2-CB 3.88Å; I1064-L1517 HydrophobicContact CD1-CD1 4.01Å; I1064-L1517 HydrophobicContact CG2-CD1 4.41Å |
| 1065 | C | 75.7 | Confident | 74.9 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -5.5 | 175.4 | -69.2 | 0 | 0 | 0 | 0 | 113.7 | I1063 H1067 R1514 | I1063-C1065 PolarHBondContact O-N 2.98Å; C1065-H1067 PolarHBondContact O-CE1 3.36Å; C1065-H1067 VanDerWaalsContact O-CE1 3.23Å; C1065-H1067 PolarHBondContact O-ND1 3.09Å; C1065-R1514 WeakPolarHBondContact SG-CD 3.36Å |
| 1066 | E | 77.1 | Confident | 75.1 | Confident | 89 Ų | 89 | 31.9 Ų | 31.9 | 42% | 0.416 | 17% | 0.167 | S | C | . | . | trans | -89.8 | 127 | 179.2 | -58.8 | -160.7 | -176.1 | 0 | 0 | 110 | I1063 M1071 | I1063-E1066 WeakPolarHBondContact O-CB 3.44Å; I1063-E1066 PolarHBondContact O-N 3.31Å; E1066-M1071 HydrophobicContact CB-CB 4.17Å; E1066-M1071 HydrophobicContact CB-CG 4.01Å; E1066-M1071 HydrophobicContact CG-CE 4.5Å; E1066-M1071 WeakPolarHBondContact OE2-CE 3.48Å | ||
| 1067 | H | 67.2 | Low | 75 | Confident | 76 Ų | 76 | 33.7 Ų | 33.7 | 35% | 0.352 | 18% | 0.175 | S | C | . | . | trans | -101.3 | 17.6 | -171.9 | -62.2 | 67.1 | 0 | 0 | 0 | 112.3 | C1065 F1189 L1507 | C1065-H1067 PolarHBondContact O-CE1 3.36Å; C1065-H1067 VanDerWaalsContact O-CE1 3.23Å; C1065-H1067 PolarHBondContact O-ND1 3.09Å; H1067-F1189 AromaticContact CD2-CZ 3.42Å; H1067-F1189 VanDerWaalsContact CD2-CZ 3.42Å; H1067-F1189 WeakPolarHBondContact CD2-CZ 3.31Å; H1067-F1189 AromaticContact NE2-CE2 3.77Å; H1067-F1189 AromaticContact NE2-CZ 3.39Å; H1067-F1189 WeakPolarHBondContact NE2-CZ 3.14Å; H1067-L1507 VanDerWaalsContact CE1-CD1 3.4Å; H1067-L1507 WeakPolarHBondContact CE1-CD1 3.19Å | ||
| 1068 | N | 68.8 | Low | 75.1 | Confident | 61 Ų | 61 | 33.6 Ų | 33.6 | 33% | 0.326 | 17% | 0.174 | S | C | . | . | trans | -71.9 | 138.6 | 173.9 | -165.4 | -7.1 | 0 | 0 | 0 | 108.8 | D1070 M1071 L1072 | N1068-D1070 PolarHBondContact O-N 3.42Å; N1068-M1071 HydrophobicContact CB-CB 4.25Å; N1068-M1071 HydrophobicContact CB-CG 4.14Å; N1068-M1071 WeakPolarHBondContact O-CA 3.41Å; N1068-M1071 WeakPolarHBondContact O-CB 3.44Å; N1068-M1071 PolarHBondContact O-N 2.68Å; N1068-L1072 PolarHBondContact O-N 3.13Å | ||
| 1069 | D | 65 | Low | 75.3 | Confident | 86 Ų | 86 | 32.4 Ų | 32.4 | 46% | 0.46 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.9 | -39.4 | -177.3 | -73.9 | -32 | 0 | 0 | 0 | 110.7 | M1071 L1072 E1073 | D1069-M1071 VanDerWaalsContact C-N 3.3Å; D1069-M1071 PolarHBondContact O-N 2.85Å; D1069-L1072 WeakPolarHBondContact O-CB 3.46Å; D1069-L1072 PolarHBondContact O-N 3.44Å; D1069-E1073 WeakPolarHBondContact O-CG 3.27Å; D1069-E1073 PolarHBondContact O-N 3.1Å |
| 1070 | D | 62.8 | Low | 75.3 | Confident | 30 Ų | 30 | 32.1 Ų | 32.1 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -36.3 | 175.6 | -55.9 | -14.8 | 0 | 0 | 0 | 113.1 | N1068 Y1074 I1537 Q1540 | N1068-D1070 PolarHBondContact O-N 3.42Å; D1070-Y1074 WeakPolarHBondContact O-CB 3.48Å; D1070-Y1074 PolarHBondContact O-N 3.3Å; D1070-I1537 HydrophobicContact CB-CD1 4.21Å; D1070-Q1540 VanDerWaalsContact CG-NE2 3.33Å; D1070-Q1540 PolarHBondContact OD1-NE2 3.1Å; D1070-Q1540 PolarHBondContact OD2-OE1 3.05Å; D1070-Q1540 VanDerWaalsContact OD2-OE1 3.14Å |
| 1071 | M | 72.1 | Confident | 75.2 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.7 | -38.1 | 177.8 | -75.2 | -60.5 | -135.4 | 0 | 0 | 111 | I1063 E1066 N1068 D1069 Y1074 V1075 I1537 | I1063-M1071 HydrophobicContact CB-CE 4.31Å; I1063-M1071 HydrophobicContact CB-SD 4.31Å; I1063-M1071 HydrophobicContact CD1-CE 4.42Å; I1063-M1071 HydrophobicContact CD1-SD 4.25Å; I1063-M1071 HydrophobicContact CG1-CE 3.84Å; I1063-M1071 HydrophobicContact CG1-SD 4.13Å; I1063-M1071 HydrophobicContact CG2-CB 3.75Å; I1063-M1071 HydrophobicContact CG2-CE 3.82Å; I1063-M1071 HydrophobicContact CG2-CG 3.99Å; I1063-M1071 HydrophobicContact CG2-SD 3.31Å; I1063-M1071 WeakPolarHBondContact CG2-SD 3.42Å; E1066-M1071 HydrophobicContact CB-CB 4.17Å; E1066-M1071 HydrophobicContact CB-CG 4.01Å; E1066-M1071 HydrophobicContact CG-CE 4.5Å; E1066-M1071 WeakPolarHBondContact OE2-CE 3.48Å; N1068-M1071 HydrophobicContact CB-CB 4.25Å; N1068-M1071 HydrophobicContact CB-CG 4.14Å; N1068-M1071 WeakPolarHBondContact O-CA 3.41Å; N1068-M1071 WeakPolarHBondContact O-CB 3.44Å; N1068-M1071 PolarHBondContact O-N 2.68Å; D1069-M1071 VanDerWaalsContact C-N 3.3Å; D1069-M1071 PolarHBondContact O-N 2.85Å; M1071-Y1074 PolarHBondContact O-N 3.45Å; M1071-V1075 WeakPolarHBondContact O-CB 3.43Å; M1071-V1075 VanDerWaalsContact O-CG2 3.26Å; M1071-V1075 WeakPolarHBondContact O-CG2 3.5Å; M1071-V1075 PolarHBondContact O-N 2.91Å; M1071-I1537 HydrophobicContact CE-CD1 4.05Å; M1071-I1537 HydrophobicContact CG-CD1 3.83Å; M1071-I1537 HydrophobicContact SD-CD1 3.17Å; M1071-I1537 WeakPolarHBondContact SD-CD1 3.49Å; M1071-I1537 HydrophobicContact SD-CG1 3.84Å |
| 1072 | L | 69.7 | Low | 75.3 | Confident | 46 Ų | 46 | 32.1 Ų | 32.1 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 173.8 | -67.4 | 173.3 | 0 | 0 | 0 | 111.3 | N1068 D1069 V1075 A1076 | N1068-L1072 PolarHBondContact O-N 3.13Å; D1069-L1072 WeakPolarHBondContact O-CB 3.46Å; D1069-L1072 PolarHBondContact O-N 3.44Å; L1072-V1075 PolarHBondContact O-N 3.28Å; L1072-A1076 WeakPolarHBondContact O-CB 3.42Å; L1072-A1076 PolarHBondContact O-N 3.41Å |
| 1073 | E | 69.5 | Low | 75.4 | Confident | 54 Ų | 54 | 33.4 Ų | 33.4 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 173.1 | -72.4 | -175.5 | -177.9 | 0 | 0 | 111.9 | D1069 A1076 E1077 | D1069-E1073 WeakPolarHBondContact O-CG 3.27Å; D1069-E1073 PolarHBondContact O-N 3.1Å; E1073-A1076 WeakPolarHBondContact O-CB 3.26Å; E1073-A1076 PolarHBondContact O-N 2.95Å; E1073-A1076 VanDerWaalsContact O-N 3.14Å; E1073-E1077 PolarHBondContact O-N 3.12Å |
| 1074 | Y | 75 | Confident | 75.3 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 15% | 0.153 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 177 | -172.9 | -107.8 | 0 | 0 | 0 | 111.7 | R1059 I1063 D1070 M1071 A1076 E1077 I1078 | R1059-Y1074 HydrophobicContact CG-CE1 3.98Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.22Å; I1063-Y1074 HydrophobicContact CD1-CE1 3.2Å; D1070-Y1074 WeakPolarHBondContact O-CB 3.48Å; D1070-Y1074 PolarHBondContact O-N 3.3Å; M1071-Y1074 PolarHBondContact O-N 3.45Å; Y1074-A1076 VanDerWaalsContact C-N 3.26Å; Y1074-A1076 PolarHBondContact O-N 3.33Å; Y1074-E1077 PolarHBondContact O-N 3.19Å; Y1074-I1078 HydrophobicContact CD1-CD1 4.06Å; Y1074-I1078 HydrophobicContact CD1-CG1 4.19Å; Y1074-I1078 HydrophobicContact CE1-CD1 3.66Å; Y1074-I1078 HydrophobicContact CE1-CG1 4.14Å; Y1074-I1078 WeakPolarHBondContact O-CG1 3.49Å; Y1074-I1078 PolarHBondContact O-N 3.42Å |
| 1075 | V | 77.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.1 | -41.4 | 172.2 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | L1060 I1063 M1071 L1072 I1078 M1079 M1184 E1192 | L1060-V1075 HydrophobicContact CD1-CG1 3.98Å; L1060-V1075 HydrophobicContact CD1-CG2 4.27Å; I1063-V1075 HydrophobicContact CB-CG2 4.35Å; I1063-V1075 HydrophobicContact CG2-CG2 3.73Å; M1071-V1075 WeakPolarHBondContact O-CB 3.43Å; M1071-V1075 VanDerWaalsContact O-CG2 3.26Å; M1071-V1075 WeakPolarHBondContact O-CG2 3.5Å; M1071-V1075 PolarHBondContact O-N 2.91Å; L1072-V1075 PolarHBondContact O-N 3.28Å; V1075-I1078 WeakPolarHBondContact O-CB 3.38Å; V1075-I1078 PolarHBondContact O-N 2.9Å; V1075-M1079 HydrophobicContact CG1-CG 4.46Å; V1075-M1079 WeakPolarHBondContact O-CG 3.34Å; V1075-M1079 PolarHBondContact O-N 3.21Å; V1075-M1184 HydrophobicContact CG1-CE 4.39Å; V1075-E1192 HydrophobicContact CG1-CG 4.46Å |
| 1076 | A | 77.5 | Confident | 75.3 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 24% | 0.24 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1072 E1073 Y1074 I1078 M1079 T1080 M1195 | L1072-A1076 WeakPolarHBondContact O-CB 3.42Å; L1072-A1076 PolarHBondContact O-N 3.41Å; E1073-A1076 WeakPolarHBondContact O-CB 3.26Å; E1073-A1076 PolarHBondContact O-N 2.95Å; E1073-A1076 VanDerWaalsContact O-N 3.14Å; Y1074-A1076 VanDerWaalsContact C-N 3.26Å; Y1074-A1076 PolarHBondContact O-N 3.33Å; A1076-I1078 VanDerWaalsContact C-N 3.34Å; A1076-I1078 PolarHBondContact O-N 3Å; A1076-M1079 PolarHBondContact O-N 3.39Å; A1076-T1080 WeakPolarHBondContact O-CB 3.31Å; A1076-T1080 VanDerWaalsContact O-CG2 3.27Å; A1076-T1080 WeakPolarHBondContact O-CG2 3.28Å; A1076-T1080 PolarHBondContact O-N 3.27Å; A1076-T1080 PolarHBondContact O-OG1 2.83Å; A1076-M1195 WeakPolarHBondContact CA-SD 3.48Å; A1076-M1195 HydrophobicContact CB-CE 3.96Å; A1076-M1195 HydrophobicContact CB-SD 3.58Å; A1076-M1195 VanDerWaalsContact CB-SD 3.58Å |
| 1077 | E | 77.6 | Confident | 75 | Confident | 45 Ų | 45 | 32.2 Ų | 32.2 | 21% | 0.21 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 175.2 | -174.7 | 61.1 | -169.2 | 0 | 0 | 111.8 | I1038 A1039 R1042 E1073 Y1074 T1080 T1081 | I1038-E1077 HydrophobicContact CG2-CG 4.23Å; I1038-E1077 VanDerWaalsContact CG2-O 3.25Å; I1038-E1077 WeakPolarHBondContact CG2-O 3.46Å; A1039-E1077 WeakPolarHBondContact CA-OE1 3.24Å; A1039-E1077 VanDerWaalsContact CB-OE1 3.23Å; A1039-E1077 WeakPolarHBondContact CB-OE1 3.47Å; R1042-E1077 IonicContact CZ-OE1 2.68Å; R1042-E1077 VanDerWaalsContact CZ-OE1 3.29Å; R1042-E1077 IonicContact CZ-OE2 3.24Å; R1042-E1077 IonicContact NE-OE1 2.94Å; R1042-E1077 IonicContact NH1-OE1 3.27Å; R1042-E1077 IonicContact NH1-OE2 3.86Å; R1042-E1077 PolarHBondContact NH1-OE2 3.28Å; R1042-E1077 IonicContact NH2-OE1 3.79Å; R1042-E1077 PolarHBondContact NH2-OE1 3.28Å; R1042-E1077 IonicContact NH2-OE2 2.82Å; R1042-E1077 PolarHBondContact NH2-OE2 3.32Å; E1073-E1077 PolarHBondContact O-N 3.12Å; Y1074-E1077 PolarHBondContact O-N 3.19Å; E1077-T1080 WeakPolarHBondContact CA-OG1 3.34Å; E1077-T1080 PolarHBondContact O-OG1 3.32Å; E1077-T1080 VanDerWaalsContact O-OG1 3.1Å; E1077-T1081 WeakPolarHBondContact O-CB 3.13Å; E1077-T1081 PolarHBondContact O-N 3.23Å; E1077-T1081 VanDerWaalsContact O-N 3.14Å; E1077-T1081 PolarHBondContact O-OG1 3.31Å |
| 1078 | I | 81.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -56.8 | 170.2 | -51.2 | -142.7 | 0 | 0 | 0 | 110.1 | I1038 I1056 R1059 L1060 Y1074 V1075 A1076 T1080 T1081 L1082 | I1038-I1078 HydrophobicContact CD1-CB 3.94Å; I1038-I1078 HydrophobicContact CD1-CD1 3.56Å; I1038-I1078 HydrophobicContact CD1-CG1 3.38Å; I1038-I1078 HydrophobicContact CD1-CG2 4.14Å; I1056-I1078 HydrophobicContact CG2-CG2 3.39Å; R1059-I1078 HydrophobicContact CG-CD1 4.32Å; L1060-I1078 HydrophobicContact CD1-CB 4.47Å; L1060-I1078 HydrophobicContact CD1-CG2 4.33Å; Y1074-I1078 HydrophobicContact CD1-CD1 4.06Å; Y1074-I1078 HydrophobicContact CD1-CG1 4.19Å; Y1074-I1078 HydrophobicContact CE1-CD1 3.66Å; Y1074-I1078 HydrophobicContact CE1-CG1 4.14Å; Y1074-I1078 WeakPolarHBondContact O-CG1 3.49Å; Y1074-I1078 PolarHBondContact O-N 3.42Å; V1075-I1078 WeakPolarHBondContact O-CB 3.38Å; V1075-I1078 PolarHBondContact O-N 2.9Å; A1076-I1078 VanDerWaalsContact C-N 3.34Å; A1076-I1078 PolarHBondContact O-N 3Å; I1078-T1080 PolarHBondContact O-N 2.82Å; I1078-T1081 PolarHBondContact O-N 3.05Å; I1078-T1081 VanDerWaalsContact O-N 3.14Å; I1078-L1082 HydrophobicContact CG2-CD1 4.18Å; I1078-L1082 HydrophobicContact CG2-CG 4.32Å; I1078-L1082 WeakPolarHBondContact O-CG 3.21Å; I1078-L1082 PolarHBondContact O-N 3Å |
| 1079 | M | 84.4 | Confident | 75.1 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | -172.4 | -71.2 | -59.8 | -63.9 | 0 | 0 | 112.3 | L1060 V1075 A1076 T1081 L1082 E1083 I1180 M1184 M1195 L1199 | L1060-M1079 HydrophobicContact CD2-SD 4.16Å; V1075-M1079 HydrophobicContact CG1-CG 4.46Å; V1075-M1079 WeakPolarHBondContact O-CG 3.34Å; V1075-M1079 PolarHBondContact O-N 3.21Å; A1076-M1079 PolarHBondContact O-N 3.39Å; M1079-T1081 VanDerWaalsContact C-N 3.25Å; M1079-T1081 PolarHBondContact O-N 3.07Å; M1079-L1082 PolarHBondContact O-N 3.42Å; M1079-L1082 HydrophobicContact SD-CD1 4.2Å; M1079-E1083 WeakPolarHBondContact O-CB 3.41Å; M1079-E1083 PolarHBondContact O-N 3.43Å; M1079-I1180 HydrophobicContact SD-CG2 4.28Å; M1079-M1184 HydrophobicContact CE-CE 4.46Å; M1079-M1184 HydrophobicContact CE-CG 3.79Å; M1079-M1184 HydrophobicContact CG-CE 4.23Å; M1079-M1184 HydrophobicContact SD-CE 4.19Å; M1079-M1184 HydrophobicContact SD-CG 4.11Å; M1079-M1184 HydrophobicContact SD-SD 4.35Å; M1079-M1195 HydrophobicContact CB-CB 3.91Å; M1079-M1195 HydrophobicContact CB-CG 4.4Å; M1079-M1195 HydrophobicContact CB-SD 3.92Å; M1079-M1195 HydrophobicContact CE-CB 4.41Å; M1079-M1195 HydrophobicContact CG-CB 4.3Å; M1079-M1195 HydrophobicContact CG-CE 4.49Å; M1079-M1195 HydrophobicContact CG-SD 4.5Å; M1079-L1199 HydrophobicContact CE-CB 4.37Å; M1079-L1199 HydrophobicContact CE-CD2 3.77Å |
| 1080 | T | 79.6 | Confident | 74.6 | Confident | 38 Ų | 38 | 30.4 Ų | 30.4 | 23% | 0.233 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -28.3 | 175.9 | 56 | 0 | 0 | 0 | 0 | 112.5 | R1042 A1076 E1077 I1078 A1084 | R1042-T1080 PolarHBondContact NH1-OG1 3.01Å; A1076-T1080 WeakPolarHBondContact O-CB 3.31Å; A1076-T1080 VanDerWaalsContact O-CG2 3.27Å; A1076-T1080 WeakPolarHBondContact O-CG2 3.28Å; A1076-T1080 PolarHBondContact O-N 3.27Å; A1076-T1080 PolarHBondContact O-OG1 2.83Å; E1077-T1080 WeakPolarHBondContact CA-OG1 3.34Å; E1077-T1080 PolarHBondContact O-OG1 3.32Å; E1077-T1080 VanDerWaalsContact O-OG1 3.1Å; I1078-T1080 PolarHBondContact O-N 2.82Å; T1080-A1084 WeakPolarHBondContact O-CB 3.5Å; T1080-A1084 PolarHBondContact O-N 3.12Å |
| 1081 | T | 80.3 | Confident | 74 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -79.5 | -36.6 | 174.4 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | I1038 R1042 E1077 I1078 M1079 E1083 A1084 S1085 | I1038-T1081 HydrophobicContact CG2-CG2 3.48Å; I1038-T1081 VanDerWaalsContact CG2-CG2 3.48Å; I1038-T1081 WeakPolarHBondContact CG2-OG1 3.18Å; I1038-T1081 WeakPolarHBondContact O-CG2 3.46Å; R1042-T1081 HydrophobicContact CB-CG2 3.96Å; E1077-T1081 WeakPolarHBondContact O-CB 3.13Å; E1077-T1081 PolarHBondContact O-N 3.23Å; E1077-T1081 VanDerWaalsContact O-N 3.14Å; E1077-T1081 PolarHBondContact O-OG1 3.31Å; I1078-T1081 PolarHBondContact O-N 3.05Å; I1078-T1081 VanDerWaalsContact O-N 3.14Å; M1079-T1081 VanDerWaalsContact C-N 3.25Å; M1079-T1081 PolarHBondContact O-N 3.07Å; T1081-E1083 VanDerWaalsContact C-N 3.3Å; T1081-A1084 PolarHBondContact O-N 3.21Å; T1081-S1085 VanDerWaalsContact O-CB 3.26Å; T1081-S1085 WeakPolarHBondContact O-CB 3.41Å; T1081-S1085 PolarHBondContact O-N 3.02Å; T1081-S1085 PolarHBondContact O-OG 3.32Å |
| 1082 | L | 83.1 | Confident | 72.4 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 168.6 | -66.4 | -177.9 | 0 | 0 | 0 | 109.8 | L1048 I1056 I1078 M1079 S1085 V1086 L1177 I1180 L1199 | L1048-L1082 HydrophobicContact CD1-CD2 3.87Å; I1056-L1082 HydrophobicContact CD1-CD2 4.12Å; I1056-L1082 HydrophobicContact CG2-CD1 4.42Å; I1056-L1082 HydrophobicContact CG2-CD2 3.96Å; I1056-L1082 HydrophobicContact CG2-CG 4.37Å; I1078-L1082 HydrophobicContact CG2-CD1 4.18Å; I1078-L1082 HydrophobicContact CG2-CG 4.32Å; I1078-L1082 WeakPolarHBondContact O-CG 3.21Å; I1078-L1082 PolarHBondContact O-N 3Å; M1079-L1082 PolarHBondContact O-N 3.42Å; M1079-L1082 HydrophobicContact SD-CD1 4.2Å; L1082-S1085 PolarHBondContact O-N 3.08Å; L1082-S1085 PolarHBondContact O-OG 3.49Å; L1082-V1086 WeakPolarHBondContact O-CG2 3.06Å; L1082-V1086 PolarHBondContact O-N 3.25Å; L1082-L1177 HydrophobicContact CB-CD2 4.19Å; L1082-L1177 HydrophobicContact CD1-CD2 4.37Å; L1082-L1177 HydrophobicContact CD2-CD2 3.74Å; L1082-L1177 HydrophobicContact CG-CD2 4.31Å; L1082-I1180 HydrophobicContact CD1-CD1 4.28Å; L1082-I1180 HydrophobicContact CD1-CG2 4.12Å; L1082-L1199 HydrophobicContact CB-CD1 4.37Å; L1082-L1199 HydrophobicContact CB-CD2 4.28Å |
| 1083 | E | 81.6 | Confident | 70.8 | Confident | 60 Ų | 60 | 42.8 Ų | 42.8 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.9 | -49.2 | 175.5 | -171.4 | -168.7 | 161.4 | 0 | 0 | 112.3 | M1079 T1081 S1085 V1086 L1199 | M1079-E1083 WeakPolarHBondContact O-CB 3.41Å; M1079-E1083 PolarHBondContact O-N 3.43Å; T1081-E1083 VanDerWaalsContact C-N 3.3Å; E1083-S1085 VanDerWaalsContact C-N 3.28Å; E1083-S1085 PolarHBondContact O-N 3.24Å; E1083-V1086 WeakPolarHBondContact O-CB 3.5Å; E1083-V1086 PolarHBondContact O-N 3.22Å; E1083-L1199 HydrophobicContact CB-CD1 4.32Å |
| 1084 | A | 78.1 | Confident | 68.9 | Low | 29 Ų | 29 | 48.1 Ų | 48.1 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -30.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1042 T1080 T1081 V1086 L1087 N1088 | R1042-A1084 HydrophobicContact CG-CB 3.79Å; T1080-A1084 WeakPolarHBondContact O-CB 3.5Å; T1080-A1084 PolarHBondContact O-N 3.12Å; T1081-A1084 PolarHBondContact O-N 3.21Å; A1084-V1086 VanDerWaalsContact C-N 3.33Å; A1084-L1087 WeakPolarHBondContact O-CB 3.25Å; A1084-L1087 PolarHBondContact O-N 3.34Å; A1084-N1088 PolarHBondContact O-ND2 3.48Å |
| 1085 | S | 77.1 | Confident | 66.9 | Low | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.6 | -30.9 | 179 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | L1048 T1081 L1082 E1083 L1087 N1088 M1089 | L1048-S1085 VanDerWaalsContact CD1-CB 3.43Å; L1048-S1085 WeakPolarHBondContact CD1-OG 3.32Å; T1081-S1085 VanDerWaalsContact O-CB 3.26Å; T1081-S1085 WeakPolarHBondContact O-CB 3.41Å; T1081-S1085 PolarHBondContact O-N 3.02Å; T1081-S1085 PolarHBondContact O-OG 3.32Å; L1082-S1085 PolarHBondContact O-N 3.08Å; L1082-S1085 PolarHBondContact O-OG 3.49Å; E1083-S1085 VanDerWaalsContact C-N 3.28Å; E1083-S1085 PolarHBondContact O-N 3.24Å; S1085-L1087 PolarHBondContact O-N 3.39Å; S1085-N1088 PolarHBondContact O-N 3.44Å; S1085-M1089 WeakPolarHBondContact O-CG 3.4Å; S1085-M1089 PolarHBondContact O-N 2.99Å |
| 1086 | V | 76.2 | Confident | 64.7 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -36.5 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L1082 E1083 A1084 N1088 M1089 L1177 L1199 R1202 L1203 L1206 | L1082-V1086 WeakPolarHBondContact O-CG2 3.06Å; L1082-V1086 PolarHBondContact O-N 3.25Å; E1083-V1086 WeakPolarHBondContact O-CB 3.5Å; E1083-V1086 PolarHBondContact O-N 3.22Å; A1084-V1086 VanDerWaalsContact C-N 3.33Å; V1086-N1088 VanDerWaalsContact C-N 3.35Å; V1086-N1088 PolarHBondContact O-N 3.01Å; V1086-M1089 PolarHBondContact O-N 3.49Å; V1086-L1177 HydrophobicContact CG2-CD1 3.87Å; V1086-L1199 HydrophobicContact CG2-CD1 3.86Å; V1086-R1202 HydrophobicContact CB-CG 4.31Å; V1086-R1202 HydrophobicContact CG1-CG 3.91Å; V1086-L1203 HydrophobicContact CG1-CD2 3.88Å; V1086-L1203 HydrophobicContact CG1-CG 4.41Å; V1086-L1203 HydrophobicContact CG2-CD2 3.72Å; V1086-L1203 HydrophobicContact CG2-CG 4.21Å; V1086-L1206 HydrophobicContact CG1-CD1 3.33Å; V1086-L1206 HydrophobicContact CG1-CG 4.24Å; V1086-L1206 VanDerWaalsContact O-CD1 3.24Å; V1086-L1206 WeakPolarHBondContact O-CD1 3.45Å |
| 1087 | L | 70.8 | Confident | 62.6 | Low | 66 Ų | 66 | 56.2 Ų | 56.2 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 174.7 | -85.7 | 169.6 | 0 | 0 | 0 | 114.3 | A1084 S1085 M1089 E1090 | A1084-L1087 WeakPolarHBondContact O-CB 3.25Å; A1084-L1087 PolarHBondContact O-N 3.34Å; S1085-L1087 PolarHBondContact O-N 3.39Å; L1087-M1089 VanDerWaalsContact C-N 3.27Å; L1087-E1090 WeakPolarHBondContact O-CG 3.24Å |
| 1088 | N | 70.1 | Confident | 60.5 | Low | 55 Ų | 55 | 60.8 Ų | 60.8 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81.9 | -11.4 | -179.6 | -56.6 | -40.5 | 0 | 0 | 0 | 111.9 | R1045 A1084 S1085 V1086 E1090 | R1045-N1088 WeakPolarHBondContact CA-ND2 3.34Å; A1084-N1088 PolarHBondContact O-ND2 3.48Å; S1085-N1088 PolarHBondContact O-N 3.44Å; V1086-N1088 VanDerWaalsContact C-N 3.35Å; V1086-N1088 PolarHBondContact O-N 3.01Å; N1088-E1090 VanDerWaalsContact C-N 3.29Å |
| 1089 | M | 67.4 | Low | 58.3 | Low | 11 Ų | 11 | 66.7 Ų | 66.7 | 5% | 0.054 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.9 | 174 | -67.5 | -177.8 | 73.4 | 0 | 0 | 113.3 | P1047 S1085 V1086 L1087 V1091 A1173 L1174 L1177 | P1047-M1089 HydrophobicContact CB-CG 4.43Å; S1085-M1089 WeakPolarHBondContact O-CG 3.4Å; S1085-M1089 PolarHBondContact O-N 2.99Å; V1086-M1089 PolarHBondContact O-N 3.49Å; L1087-M1089 VanDerWaalsContact C-N 3.27Å; M1089-V1091 PolarHBondContact O-N 2.99Å; M1089-A1173 HydrophobicContact CE-CB 3.6Å; M1089-L1174 HydrophobicContact CE-CD2 3.9Å; M1089-L1174 HydrophobicContact CE-CG 3.77Å; M1089-L1174 HydrophobicContact SD-CD2 4.04Å; M1089-L1177 HydrophobicContact SD-CD1 3.85Å |
| 1090 | E | 54.8 | Low | 55.8 | Low | 118 Ų | 118 | 74.9 Ų | 74.9 | 55% | 0.551 | 41% | 0.407 | S | S | * | . | trans | -46.1 | 113.9 | 179.9 | -85.3 | -177.9 | -170.6 | 0 | 0 | 111 | L1087 N1088 S1092 L1206 | L1087-E1090 WeakPolarHBondContact O-CG 3.24Å; N1088-E1090 VanDerWaalsContact C-N 3.29Å; E1090-S1092 VanDerWaalsContact C-N 3.31Å; E1090-S1092 PolarHBondContact O-N 3.42Å; E1090-L1206 HydrophobicContact CG-CD2 3.91Å | ||
| 1091 | V | 51 | Low | 53.2 | Low | 115 Ų | 115 | 81.2 Ų | 81.2 | 70% | 0.697 | 43% | 0.432 | S | S | * | . | trans | -64.1 | 96.9 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 105.6 | M1089 E1093 | M1089-V1091 PolarHBondContact O-N 2.99Å; V1091-E1093 VanDerWaalsContact C-N 3.35Å; V1091-E1093 PolarHBondContact O-N 3.4Å | ||
| 1092 | S | 37.2 | Very low | 50.6 | Low | 88 Ų | 88 | 86.7 Ų | 86.7 | 62% | 0.615 | 47% | 0.47 | S | S | * | . | trans | -53.3 | 96.9 | 178.9 | 59.3 | 0 | 0 | 0 | 0 | 110 | E1090 H1094 | E1090-S1092 VanDerWaalsContact C-N 3.31Å; E1090-S1092 PolarHBondContact O-N 3.42Å; S1092-H1094 PolarHBondContact O-N 2.97Å | ||
| 1093 | E | 36.1 | Very low | 47.9 | Very low | 138 Ų | 138 | 91.8 Ų | 91.8 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -5.5 | 175.2 | -79.2 | -163.7 | 150.8 | 0 | 0 | 111.8 | V1091 Q1208 | V1091-E1093 VanDerWaalsContact C-N 3.35Å; V1091-E1093 PolarHBondContact O-N 3.4Å; E1093-Q1208 PolarHBondContact OE1-NE2 3.34Å; E1093-Q1208 VanDerWaalsContact OE1-NE2 3.09Å |
| 1094 | H | 31.2 | Very low | 45.3 | Very low | 165 Ų | 165 | 97.1 Ų | 97.1 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 4.4 | -172.7 | -63.4 | -34.5 | 0 | 0 | 0 | 116.7 | S1092 | S1092-H1094 PolarHBondContact O-N 2.97Š|
| 1095 | S | 32.7 | Very low | 42.9 | Very low | 79 Ų | 79 | 99.8 Ų | 99.8 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -90.6 | -16.4 | 179.5 | -155.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1096 | L | 30.7 | Very low | 40.5 | Very low | 96 Ų | 96 | 108.7 Ų | 108.7 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -99.8 | -20.9 | -175.7 | -70.2 | 174.6 | 0 | 0 | 0 | 115.4 | N1098 L1099 | L1096-N1098 VanDerWaalsContact C-N 3.25Å; L1096-N1098 PolarHBondContact O-N 3.36Å; L1096-L1099 HydrophobicContact CD2-CD1 4.47Å; L1096-L1099 PolarHBondContact O-N 3.06Å |
| 1097 | A | 33 | Very low | 38 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.6 | -23.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1098 | N | 34.3 | Very low | 35.9 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -6.1 | 178.1 | -74 | -13.6 | 0 | 0 | 0 | 114.2 | L1096 | L1096-N1098 VanDerWaalsContact C-N 3.25Å; L1096-N1098 PolarHBondContact O-N 3.36Å |
| 1099 | L | 34.7 | Very low | 33.7 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 65% | 0.654 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -13.5 | 175.2 | -84.4 | 163.2 | 0 | 0 | 0 | 113.8 | L1096 | L1096-L1099 HydrophobicContact CD2-CD1 4.47Å; L1096-L1099 PolarHBondContact O-N 3.06Å |
| 1100 | F | 31 | Very low | 31.8 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -121.3 | 7.9 | -177.3 | -71 | -72.7 | 0 | 0 | 0 | 115.7 | S1102 | F1100-S1102 PolarHBondContact O-N 3.42Å; F1100-S1102 VanDerWaalsContact O-N 3.15Å |
| 1101 | K | 26 | Very low | 30.3 | Very low | 171 Ų | 171 | 135 Ų | 135 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -78.1 | 98.8 | 157.7 | -86.4 | -177.5 | 178.9 | 173.9 | 0 | 108.3 | S1103 | K1101-S1103 VanDerWaalsContact C-N 3.28Å; K1101-S1103 PolarHBondContact O-N 3.07Å |
| 1102 | S | 26.7 | Very low | 29.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -55 | 83.8 | 172.3 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | F1100 | F1100-S1102 PolarHBondContact O-N 3.42Å; F1100-S1102 VanDerWaalsContact O-N 3.15Å | ||
| 1103 | S | 25 | Very low | 28.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -93.1 | 102.6 | 157.9 | 60.6 | 0 | 0 | 0 | 0 | 107.7 | K1101 A1105 | K1101-S1103 VanDerWaalsContact C-N 3.28Å; K1101-S1103 PolarHBondContact O-N 3.07Å; S1103-A1105 PolarHBondContact O-N 3.48Å; S1103-A1105 VanDerWaalsContact O-N 3.1Å | ||
| 1104 | I | 27.5 | Very low | 28 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -46.6 | 110 | 163.2 | -63.9 | 159.5 | 0 | 0 | 0 | 108.4 | ||||
| 1105 | A | 26.7 | Very low | 27.9 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -171.9 | 107.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1103 | S1103-A1105 PolarHBondContact O-N 3.48Å; S1103-A1105 VanDerWaalsContact O-N 3.1Å | ||
| 1106 | E | 27 | Very low | 27.6 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | 49.1 | 107.5 | 143.1 | -67 | 175.8 | 172.7 | 0 | 0 | 119.6 | ||||
| 1107 | S | 24.4 | Very low | 27.5 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -56.2 | 124.8 | 164.9 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1108 | E | 26.7 | Very low | 27.1 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 97.5 | 139.2 | -76.7 | -166.2 | 154.9 | 0 | 0 | 108.1 | ||||
| 1109 | Q | 24.4 | Very low | 26.7 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -80.3 | 116.7 | 173.6 | -73.5 | 175.7 | -17.4 | 0 | 0 | 108.6 | ||||
| 1110 | T | 26.9 | Very low | 26.2 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -107.8 | 110.8 | 158.9 | 5.1 | 0 | 0 | 0 | 0 | 108.1 | A1112 | T1110-A1112 PolarHBondContact O-N 2.95Š| ||
| 1111 | E | 24.2 | Very low | 25.8 | Very low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -71.4 | 115.3 | -178.2 | -63.6 | 177.5 | 139.1 | 0 | 0 | 110.4 | ||||
| 1112 | A | 26 | Very low | 25.8 | Very low | 94 Ų | 94 | 148 Ų | 148 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -110 | 112.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | T1110 R1114 | T1110-A1112 PolarHBondContact O-N 2.95Å; A1112-R1114 PolarHBondContact O-N 3.25Å | ||
| 1113 | S | 25.8 | Very low | 25.7 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -64 | 124 | -173.9 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1114 | R | 24.3 | Very low | 25.7 | Very low | 233 Ų | 233 | 147.8 Ų | 147.8 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -70.4 | 127.2 | 172.9 | -63.6 | 170.7 | 175.7 | 174.7 | -2.8 | 110.5 | A1112 | A1112-R1114 PolarHBondContact O-N 3.25Š| ||
| 1115 | H | 28.1 | Very low | 25.6 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -116 | 133 | 161.5 | -78.4 | 9.6 | 0 | 0 | 0 | 109.5 | ||||
| 1116 | S | 25.7 | Very low | 25.5 | Very low | 95 Ų | 95 | 148.7 Ų | 148.7 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -86.4 | 138.8 | -165.9 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1117 | P | 29.6 | Very low | 25.4 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | trans | -93.2 | 115.5 | 178.1 | 33.7 | -27.4 | 0 | 0 | 0 | 110.6 | ||||
| 1118 | T | 24.8 | Very low | 25.4 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -137.6 | 123.9 | 167.6 | 36.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1119 | H | 25.3 | Very low | 25.3 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 89% | 0.889 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 79.3 | 173.4 | -69.9 | -75.1 | 0 | 0 | 0 | 117.4 | ||||
| 1120 | Q | 23.9 | Very low | 25.4 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -107.2 | 102.3 | 159.7 | -78.7 | 178.7 | -21.5 | 0 | 0 | 109.9 | ||||
| 1121 | R | 22.7 | Very low | 25.3 | Very low | 242 Ų | 242 | 136.9 Ų | 136.9 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | -66.7 | 137.1 | 148.6 | -94.4 | -177.9 | 167.7 | -148.7 | -2.5 | 107.1 | T1123 | R1121-T1123 PolarHBondContact O-N 3.46Š| ||
| 1122 | S | 26.2 | Very low | 25.3 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -50.3 | 116.8 | 179.9 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1123 | T | 25 | Very low | 25.2 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 162.1 | 123.5 | 140.3 | 47.8 | 0 | 0 | 0 | 0 | 107.6 | R1121 | R1121-T1123 PolarHBondContact O-N 3.46Š|
| 1124 | S | 24.4 | Very low | 25.2 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 77.5 | 90.3 | 178.1 | 77.3 | 0 | 0 | 0 | 0 | 117.2 | F1126 | S1124-F1126 PolarHBondContact O-N 3.28Š| ||
| 1125 | C | 25.4 | Very low | 25.7 | Very low | 105 Ų | 105 | 136 Ų | 136 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | trans | -81.3 | 103.6 | 154.1 | -68.4 | 0 | 0 | 0 | 0 | 107.5 | V1127 | C1125-V1127 PolarHBondContact O-N 2.88Š| ||
| 1126 | F | 24 | Very low | 25.7 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | -66.5 | 119.5 | 168.5 | -108.5 | -94.6 | 0 | 0 | 0 | 109.1 | L589 S1124 | L589-F1126 HydrophobicContact CD1-CE2 4.01Å; L589-F1126 HydrophobicContact CD1-CZ 3.78Å; S1124-F1126 PolarHBondContact O-N 3.28Å | ||
| 1127 | V | 26.7 | Very low | 25.7 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -79.6 | 116 | 169.5 | 176.6 | 0 | 0 | 0 | 0 | 107 | C1125 G1129 | C1125-V1127 PolarHBondContact O-N 2.88Å; V1127-G1129 PolarHBondContact O-N 3.11Å; V1127-G1129 VanDerWaalsContact O-N 3.12Å | ||
| 1128 | D | 24.4 | Very low | 25.6 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -64 | 110.8 | 178.2 | -117.7 | -21.2 | 0 | 0 | 0 | 110 | G1130 | D1128-G1130 VanDerWaalsContact C-N 3.3Å; D1128-G1130 PolarHBondContact O-N 2.85Å | ||
| 1129 | G | 24.4 | Very low | 25.7 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 76.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1127 V1131 | V1127-G1129 PolarHBondContact O-N 3.11Å; V1127-G1129 VanDerWaalsContact O-N 3.12Å; G1129-V1131 PolarHBondContact O-N 2.94Å | ||
| 1130 | G | 25 | Very low | 25.7 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -73.6 | 86.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1128 C1132 | D1128-G1130 VanDerWaalsContact C-N 3.3Å; D1128-G1130 PolarHBondContact O-N 2.85Å; G1130-C1132 VanDerWaalsContact C-N 3.33Å; G1130-C1132 PolarHBondContact O-N 3.3Å | ||
| 1131 | V | 25.1 | Very low | 25.8 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | -66.7 | 89.7 | 167.9 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | G1129 R1133 | G1129-V1131 PolarHBondContact O-N 2.94Å; V1131-R1133 PolarHBondContact O-N 2.81Å; V1131-R1133 VanDerWaalsContact O-N 3.12Å | ||
| 1132 | C | 23.9 | Very low | 25.9 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -72 | 98.2 | 166.3 | -80.8 | 0 | 0 | 0 | 0 | 109.4 | G1130 | G1130-C1132 VanDerWaalsContact C-N 3.33Å; G1130-C1132 PolarHBondContact O-N 3.3Å | ||
| 1133 | R | 24.8 | Very low | 26.1 | Very low | 228 Ų | 228 | 124.3 Ų | 124.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 142 | 162.8 | -106.5 | 179.1 | 173.8 | 148.9 | -1.3 | 109.9 | V1131 | V1131-R1133 PolarHBondContact O-N 2.81Å; V1131-R1133 VanDerWaalsContact O-N 3.12Å |
| 1134 | P | 26.7 | Very low | 26.1 | Very low | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 159.9 | -172 | 33 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 1135 | P | 34.3 | Very low | 26.1 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 130 | -154.3 | 32.9 | -32.7 | 0 | 0 | 0 | 111.9 | ||
| 1136 | G | 28.2 | Very low | 26.2 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -112.4 | 119.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1137 | D | 26.2 | Very low | 26.5 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -50.4 | 131.8 | 168.6 | -66.6 | -50.6 | 0 | 0 | 0 | 111 | ||||
| 1138 | D | 26.6 | Very low | 26.4 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | -167.6 | 147.5 | 128.6 | -106.4 | -29.6 | 0 | 0 | 0 | 113.7 | |||||
| 1139 | V | 27.2 | Very low | 26.5 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -84.6 | 140.8 | -161.6 | 168 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1140 | G | 25.6 | Very low | 26.7 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 103.7 | 133.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1141 | G | 25.8 | Very low | 26.9 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 152 | 57.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116 | T1143 | G1141-T1143 PolarHBondContact O-N 2.89Š| ||
| 1142 | S | 25.2 | Very low | 27 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -57 | 122.8 | 163.6 | 25.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1143 | T | 29.5 | Very low | 27.1 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -150.9 | 100.9 | 145.1 | 30.8 | 0 | 0 | 0 | 0 | 110 | G1141 | G1141-T1143 PolarHBondContact O-N 2.89Š| ||
| 1144 | S | 23.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -65.4 | 129.5 | 162.4 | 42.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1145 | S | 26.3 | Very low | 27.8 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -142.5 | 121 | 153.3 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1146 | N | 26.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -57.1 | 128.8 | -178.8 | -64.7 | -48 | 0 | 0 | 0 | 111.5 | ||||
| 1147 | I | 29.6 | Very low | 28.5 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | -119.3 | 116.4 | 153.6 | -63.5 | -179.9 | 0 | 0 | 0 | 107.8 | ||||
| 1148 | A | 26.2 | Very low | 28.9 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 129.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1150 | A1148-V1150 PolarHBondContact O-N 2.95Š| ||
| 1149 | S | 26.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 25.2 | 89.5 | 136.5 | 64.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1150 | V | 28.6 | Very low | 29.8 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -89.4 | 114.5 | 153.6 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | A1148 N1152 | A1148-V1150 PolarHBondContact O-N 2.95Å; V1150-N1152 PolarHBondContact O-N 2.9Å | ||
| 1151 | Q | 28.1 | Very low | 30.8 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -61.2 | 119.4 | 178.4 | -70.3 | 171.7 | -30.7 | 0 | 0 | 111.3 | M1153 | Q1151-M1153 PolarHBondContact O-N 3.41Š| ||
| 1152 | N | 28.8 | Very low | 31.4 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | 29.5 | 83.1 | 136.3 | -62.2 | -16.5 | 0 | 0 | 0 | 117.3 | V1150 | V1150-N1152 PolarHBondContact O-N 2.9Š| ||
| 1153 | M | 25.2 | Very low | 32 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -81 | 129.4 | 151.9 | -157.3 | 69.6 | 101.5 | 0 | 0 | 107.8 | Q1151 R1155 | Q1151-M1153 PolarHBondContact O-N 3.41Å; M1153-R1155 PolarHBondContact O-N 3.27Å |
| 1154 | P | 34.6 | Very low | 32.7 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -69 | 125.1 | -166.2 | 27 | -33 | 0 | 0 | 0 | 111.2 | S1156 | P1154-S1156 PolarHBondContact O-N 2.94Š|
| 1155 | R | 31.8 | Very low | 33.8 | Very low | 218 Ų | 218 | 119.1 Ų | 119.1 | 82% | 0.823 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 131.6 | 173 | -94.9 | 176.8 | 162.2 | 131.2 | -3.4 | 110.3 | M1153 | M1153-R1155 PolarHBondContact O-N 3.27Š|
| 1156 | S | 31.7 | Very low | 35 | Very low | 83 Ų | 83 | 118.7 Ų | 118.7 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 137 | 169.8 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | P1154 S1158 A1159 | P1154-S1156 PolarHBondContact O-N 2.94Å; S1156-S1158 PolarHBondContact O-N 3.47Å; S1156-S1158 PolarHBondContact OG-OG 3.49Å; S1156-A1159 PolarHBondContact O-N 3.35Å |
| 1157 | K | 44.5 | Very low | 36.5 | Very low | 187 Ų | 187 | 118.6 Ų | 118.6 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -54.8 | -22.4 | -179.1 | -76.7 | -178.2 | 174.6 | -179.2 | 0 | 113.9 | A1159 Q1160 | K1157-A1159 VanDerWaalsContact C-N 3.29Å; K1157-A1159 PolarHBondContact O-N 3.39Å; K1157-Q1160 PolarHBondContact O-N 3.01Å |
| 1158 | S | 36 | Very low | 38.1 | Very low | 76 Ų | 76 | 114.3 Ų | 114.3 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -67.2 | -17.4 | -178.2 | 42.4 | 0 | 0 | 0 | 0 | 115.6 | S1156 T1161 | S1156-S1158 PolarHBondContact O-N 3.47Å; S1156-S1158 PolarHBondContact OG-OG 3.49Å; S1158-T1161 WeakPolarHBondContact CA-OG1 3.36Å; S1158-T1161 PolarHBondContact O-OG1 3.39Å |
| 1159 | A | 33.5 | Very low | 40.1 | Very low | 60 Ų | 60 | 114.8 Ų | 114.8 | 50% | 0.496 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -87.6 | -17.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1156 K1157 | S1156-A1159 PolarHBondContact O-N 3.35Å; K1157-A1159 VanDerWaalsContact C-N 3.29Å; K1157-A1159 PolarHBondContact O-N 3.39Å |
| 1160 | Q | 38.2 | Very low | 42.2 | Very low | 173 Ų | 173 | 113.1 Ų | 113.1 | 81% | 0.808 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -12 | 173.5 | -73.7 | -177.8 | -13.7 | 0 | 0 | 112.4 | K1157 | K1157-Q1160 PolarHBondContact O-N 3.01Š|
| 1161 | T | 46 | Very low | 44.2 | Very low | 60 Ų | 60 | 108.9 Ų | 108.9 | 37% | 0.368 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -81.8 | -18.4 | 177.1 | 38.9 | 0 | 0 | 0 | 0 | 114.5 | S1158 G1163 A1164 D1165 | S1158-T1161 WeakPolarHBondContact CA-OG1 3.36Å; S1158-T1161 PolarHBondContact O-OG1 3.39Å; T1161-G1163 VanDerWaalsContact C-N 3.26Å; T1161-G1163 PolarHBondContact O-N 3.34Å; T1161-G1163 VanDerWaalsContact O-N 3.14Å; T1161-A1164 CarbonylContact O-C 3.59Å; T1161-A1164 WeakPolarHBondContact O-CA 3.39Å; T1161-A1164 WeakPolarHBondContact O-CB 3.41Å; T1161-A1164 PolarHBondContact O-N 3.1Å; T1161-D1165 PolarHBondContact O-N 3.49Å |
| 1162 | I | 38.2 | Very low | 46.6 | Very low | 74 Ų | 74 | 101.8 Ų | 101.8 | 38% | 0.379 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -30.4 | -175.5 | -59.2 | 175.4 | 0 | 0 | 0 | 112.9 | ||
| 1163 | G | 38.7 | Very low | 49.1 | Very low | 60 Ų | 60 | 94.2 Ų | 94.2 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -79.1 | -20.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1161 | T1161-G1163 VanDerWaalsContact C-N 3.26Å; T1161-G1163 PolarHBondContact O-N 3.34Å; T1161-G1163 VanDerWaalsContact O-N 3.14Å |
| 1164 | A | 44.7 | Very low | 51.7 | Low | 39 Ų | 39 | 86.6 Ų | 86.6 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -84.5 | -34.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1161 N1166 R1167 D1168 | T1161-A1164 CarbonylContact O-C 3.59Å; T1161-A1164 WeakPolarHBondContact O-CA 3.39Å; T1161-A1164 WeakPolarHBondContact O-CB 3.41Å; T1161-A1164 PolarHBondContact O-N 3.1Å; A1164-N1166 PolarHBondContact O-N 3.06Å; A1164-R1167 WeakPolarHBondContact O-CA 3.4Å; A1164-R1167 WeakPolarHBondContact O-CB 3.45Å; A1164-R1167 PolarHBondContact O-N 3.31Å; A1164-D1168 PolarHBondContact O-N 2.93Å |
| 1165 | D | 46.5 | Very low | 53.9 | Low | 73 Ų | 73 | 81.1 Ų | 81.1 | 39% | 0.39 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | -178.7 | -74.9 | -22.7 | 0 | 0 | 0 | 111.9 | T1161 R1167 D1168 D1169 | T1161-D1165 PolarHBondContact O-N 3.49Å; D1165-R1167 VanDerWaalsContact C-N 3.31Å; D1165-R1167 PolarHBondContact O-N 3.3Å; D1165-D1168 PolarHBondContact O-N 2.98Å; D1165-D1169 WeakPolarHBondContact O-CB 3.32Å; D1165-D1169 PolarHBondContact O-N 3.49Å |
| 1166 | N | 51.1 | Low | 56.5 | Low | 105 Ų | 105 | 70.8 Ų | 70.8 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 175.6 | -77.1 | 3.9 | 0 | 0 | 0 | 111.6 | A1164 H1170 | A1164-N1166 PolarHBondContact O-N 3.06Å; N1166-H1170 PolarHBondContact O-CD2 3.2Å; N1166-H1170 PolarHBondContact O-N 3.4Å |
| 1167 | R | 58.1 | Low | 59.2 | Low | 163 Ų | 163 | 66.8 Ų | 66.8 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 177.2 | -70 | -178.9 | 172.3 | 177.6 | -2.6 | 111 | A1164 D1165 H1170 L1171 | A1164-R1167 WeakPolarHBondContact O-CA 3.4Å; A1164-R1167 WeakPolarHBondContact O-CB 3.45Å; A1164-R1167 PolarHBondContact O-N 3.31Å; D1165-R1167 VanDerWaalsContact C-N 3.31Å; D1165-R1167 PolarHBondContact O-N 3.3Å; R1167-H1170 PolarHBondContact O-N 2.99Å; R1167-L1171 WeakPolarHBondContact O-CB 3.41Å; R1167-L1171 PolarHBondContact O-N 3.48Å |
| 1168 | D | 63.7 | Low | 61.2 | Low | 78 Ų | 78 | 58 Ų | 58 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 178.3 | -77.5 | -24.5 | 0 | 0 | 0 | 111.6 | A1164 D1165 L1171 T1172 R1217 | A1164-D1168 PolarHBondContact O-N 2.93Å; D1165-D1168 PolarHBondContact O-N 2.98Å; D1168-L1171 PolarHBondContact O-N 3.48Å; D1168-T1172 WeakPolarHBondContact O-CB 3.33Å; D1168-T1172 PolarHBondContact O-N 3.33Å; D1168-T1172 PolarHBondContact O-OG1 2.96Å; D1168-R1217 PolarHBondContact O-NH1 3.29Å |
| 1169 | D | 68.8 | Low | 63.8 | Low | 86 Ų | 86 | 54.3 Ų | 54.3 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.5 | -84.7 | -7.7 | 0 | 0 | 0 | 111.9 | D1165 T1172 A1173 | D1165-D1169 WeakPolarHBondContact O-CB 3.32Å; D1165-D1169 PolarHBondContact O-N 3.49Å; D1169-T1172 WeakPolarHBondContact O-CB 3.39Å; D1169-T1172 PolarHBondContact O-N 2.93Å; D1169-A1173 PolarHBondContact O-N 3.46Å |
| 1170 | H | 69.1 | Low | 66.5 | Low | 72 Ų | 72 | 51.5 Ų | 51.5 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.8 | -73.7 | -60.3 | 0 | 0 | 0 | 111.9 | N1166 R1167 T1172 A1173 L1174 | N1166-H1170 PolarHBondContact O-CD2 3.2Å; N1166-H1170 PolarHBondContact O-N 3.4Å; R1167-H1170 PolarHBondContact O-N 2.99Å; H1170-T1172 VanDerWaalsContact C-N 3.27Å; H1170-T1172 PolarHBondContact O-N 3.3Å; H1170-A1173 PolarHBondContact O-N 2.99Å; H1170-L1174 WeakPolarHBondContact O-CG 3.45Å; H1170-L1174 PolarHBondContact O-N 3.04Å |
| 1171 | L | 71.7 | Confident | 69 | Low | 53 Ų | 53 | 43.2 Ų | 43.2 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 173.7 | -89.5 | 148.9 | 0 | 0 | 0 | 111.8 | R1167 D1168 S1175 | R1167-L1171 WeakPolarHBondContact O-CB 3.41Å; R1167-L1171 PolarHBondContact O-N 3.48Å; D1168-L1171 PolarHBondContact O-N 3.48Å; L1171-S1175 WeakPolarHBondContact O-CB 3.42Å; L1171-S1175 PolarHBondContact O-N 2.93Å; L1171-S1175 PolarHBondContact O-OG 3.35Å |
| 1172 | T | 78.2 | Confident | 71.1 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -49.4 | 175.2 | -47.5 | 0 | 0 | 0 | 0 | 110.4 | D1168 D1169 H1170 L1174 S1175 Q1176 R1217 | D1168-T1172 WeakPolarHBondContact O-CB 3.33Å; D1168-T1172 PolarHBondContact O-N 3.33Å; D1168-T1172 PolarHBondContact O-OG1 2.96Å; D1169-T1172 WeakPolarHBondContact O-CB 3.39Å; D1169-T1172 PolarHBondContact O-N 2.93Å; H1170-T1172 VanDerWaalsContact C-N 3.27Å; H1170-T1172 PolarHBondContact O-N 3.3Å; T1172-L1174 PolarHBondContact O-N 3.45Å; T1172-S1175 WeakPolarHBondContact CA-OG 3.16Å; T1172-S1175 PolarHBondContact O-N 2.83Å; T1172-S1175 PolarHBondContact O-OG 3.17Å; T1172-Q1176 WeakPolarHBondContact O-CG 3.33Å; T1172-Q1176 PolarHBondContact O-N 2.94Å; T1172-R1217 PolarHBondContact OG1-NH1 2.62Å; T1172-R1217 PolarHBondContact OG1-NH2 3.3Å |
| 1173 | A | 80 | Confident | 73.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1053 M1089 D1169 H1170 S1175 Q1176 L1177 | V1053-A1173 HydrophobicContact CG2-CB 4.3Å; M1089-A1173 HydrophobicContact CE-CB 3.6Å; D1169-A1173 PolarHBondContact O-N 3.46Å; H1170-A1173 PolarHBondContact O-N 2.99Å; A1173-S1175 VanDerWaalsContact C-N 3.32Å; A1173-S1175 PolarHBondContact O-N 3.38Å; A1173-Q1176 PolarHBondContact O-N 2.84Å; A1173-L1177 VanDerWaalsContact O-CG 3.29Å; A1173-L1177 WeakPolarHBondContact O-CG 3.5Å; A1173-L1177 PolarHBondContact O-N 3.45Å |
| 1174 | L | 80 | Confident | 76 | Confident | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 175.1 | -72.2 | 174.7 | 0 | 0 | 0 | 112.2 | M1089 H1170 T1172 L1177 L1178 L1203 Y1207 | M1089-L1174 HydrophobicContact CE-CD2 3.9Å; M1089-L1174 HydrophobicContact CE-CG 3.77Å; M1089-L1174 HydrophobicContact SD-CD2 4.04Å; H1170-L1174 WeakPolarHBondContact O-CG 3.45Å; H1170-L1174 PolarHBondContact O-N 3.04Å; T1172-L1174 PolarHBondContact O-N 3.45Å; L1174-L1177 PolarHBondContact O-N 2.97Å; L1174-L1178 PolarHBondContact O-N 3.07Å; L1174-L1203 HydrophobicContact CD2-CD2 3.87Å; L1174-Y1207 HydrophobicContact CB-CD2 4.43Å; L1174-Y1207 HydrophobicContact CB-CE2 4.11Å |
| 1175 | S | 82.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.5 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | L1171 T1172 A1173 L1178 W1179 M1221 | L1171-S1175 WeakPolarHBondContact O-CB 3.42Å; L1171-S1175 PolarHBondContact O-N 2.93Å; L1171-S1175 PolarHBondContact O-OG 3.35Å; T1172-S1175 WeakPolarHBondContact CA-OG 3.16Å; T1172-S1175 PolarHBondContact O-N 2.83Å; T1172-S1175 PolarHBondContact O-OG 3.17Å; A1173-S1175 VanDerWaalsContact C-N 3.32Å; A1173-S1175 PolarHBondContact O-N 3.38Å; S1175-L1178 PolarHBondContact O-N 2.69Å; S1175-W1179 PolarHBondContact O-N 3.17Å; S1175-W1179 VanDerWaalsContact O-N 3.11Å; S1175-M1221 VanDerWaalsContact CB-SD 3.57Å; S1175-M1221 PolarHBondContact OG-SD 3.15Å |
| 1176 | Q | 86.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 174.2 | -70.8 | 170.6 | -44.4 | 0 | 0 | 111.1 | S1050 V1053 N1054 T1172 A1173 L1178 W1179 I1180 M1221 S1524 | S1050-Q1176 VanDerWaalsContact OG-CD 3.32Å; S1050-Q1176 PolarHBondContact OG-NE2 3.42Å; S1050-Q1176 PolarHBondContact OG-OE1 3.13Å; V1053-Q1176 HydrophobicContact CG1-CB 3.85Å; N1054-Q1176 PolarHBondContact OD1-NE2 3.22Å; T1172-Q1176 WeakPolarHBondContact O-CG 3.33Å; T1172-Q1176 PolarHBondContact O-N 2.94Å; A1173-Q1176 PolarHBondContact O-N 2.84Å; Q1176-L1178 VanDerWaalsContact C-N 3.29Å; Q1176-L1178 PolarHBondContact O-N 3.32Å; Q1176-W1179 PolarHBondContact O-N 3.43Å; Q1176-W1179 VanDerWaalsContact O-N 3.14Å; Q1176-I1180 VanDerWaalsContact O-CG1 3.3Å; Q1176-I1180 WeakPolarHBondContact O-CG1 3.34Å; Q1176-I1180 PolarHBondContact O-N 3.44Å; Q1176-M1221 HydrophobicContact CG-CE 4.28Å; Q1176-S1524 VanDerWaalsContact NE2-CB 3.25Å |
| 1177 | L | 86.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 176.7 | -67.7 | 171.9 | 0 | 0 | 0 | 112 | V1053 L1082 V1086 M1089 A1173 L1174 I1180 A1181 L1203 | V1053-L1177 HydrophobicContact CG1-CD2 4.15Å; V1053-L1177 HydrophobicContact CG1-CG 4.48Å; V1053-L1177 HydrophobicContact CG2-CD2 4.29Å; V1053-L1177 HydrophobicContact CG2-CG 4.44Å; L1082-L1177 HydrophobicContact CB-CD2 4.19Å; L1082-L1177 HydrophobicContact CD1-CD2 4.37Å; L1082-L1177 HydrophobicContact CD2-CD2 3.74Å; L1082-L1177 HydrophobicContact CG-CD2 4.31Å; V1086-L1177 HydrophobicContact CG2-CD1 3.87Å; M1089-L1177 HydrophobicContact SD-CD1 3.85Å; A1173-L1177 VanDerWaalsContact O-CG 3.29Å; A1173-L1177 WeakPolarHBondContact O-CG 3.5Å; A1173-L1177 PolarHBondContact O-N 3.45Å; L1174-L1177 PolarHBondContact O-N 2.97Å; L1177-I1180 HydrophobicContact CD2-CD1 4.46Å; L1177-I1180 PolarHBondContact O-N 3.48Å; L1177-A1181 PolarHBondContact O-N 2.76Å; L1177-L1203 HydrophobicContact CB-CD1 3.96Å; L1177-L1203 HydrophobicContact CB-CD2 4.16Å |
| 1178 | L | 88 | Confident | 82.9 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 174.4 | -169.1 | 85 | 0 | 0 | 0 | 111.1 | L1174 S1175 Q1176 I1180 A1181 V1182 L1200 L1203 L1218 | L1174-L1178 PolarHBondContact O-N 3.07Å; S1175-L1178 PolarHBondContact O-N 2.69Å; Q1176-L1178 VanDerWaalsContact C-N 3.29Å; Q1176-L1178 PolarHBondContact O-N 3.32Å; L1178-I1180 VanDerWaalsContact C-N 3.33Å; L1178-I1180 PolarHBondContact O-N 3.4Å; L1178-A1181 WeakPolarHBondContact O-CB 3.42Å; L1178-A1181 PolarHBondContact O-N 3.27Å; L1178-V1182 VanDerWaalsContact O-CG2 3.26Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.33Å; L1178-V1182 PolarHBondContact O-N 3.12Å; L1178-L1200 HydrophobicContact CD1-CD1 3.53Å; L1178-L1200 HydrophobicContact CG-CD1 4.5Å; L1178-L1203 HydrophobicContact CB-CD1 4.21Å; L1178-L1203 HydrophobicContact CD1-CB 4.21Å; L1178-L1203 HydrophobicContact CD1-CD1 4.23Å; L1178-L1218 HydrophobicContact CD2-CD1 3.56Å; L1178-L1218 HydrophobicContact CD2-CD2 3.46Å; L1178-L1218 VanDerWaalsContact CD2-CD2 3.46Å; L1178-L1218 HydrophobicContact CD2-CG 4.14Å |
| 1179 | W | 90 | Very high | 83.8 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.7 | -28.2 | 179.4 | -71.6 | 115.2 | 0 | 0 | 0 | 113.5 | S1175 Q1176 V1182 S1183 L1218 M1221 V1222 L1225 W1227 F1230 I1265 L1520 | S1175-W1179 PolarHBondContact O-N 3.17Å; S1175-W1179 VanDerWaalsContact O-N 3.11Å; Q1176-W1179 PolarHBondContact O-N 3.43Å; Q1176-W1179 VanDerWaalsContact O-N 3.14Å; W1179-V1182 HydrophobicContact CE3-CB 4.09Å; W1179-V1182 HydrophobicContact CE3-CG1 4.09Å; W1179-V1182 HydrophobicContact CZ3-CB 4.3Å; W1179-V1182 HydrophobicContact CZ3-CG1 3.88Å; W1179-S1183 WeakPolarHBondContact O-CB 3.45Å; W1179-S1183 PolarHBondContact O-N 3.45Å; W1179-S1183 PolarHBondContact O-OG 3.44Å; W1179-L1218 HydrophobicContact CZ2-CB 4.22Å; W1179-L1218 HydrophobicContact CZ2-CD2 4.33Å; W1179-M1221 HydrophobicContact CG-CE 4.47Å; W1179-V1222 HydrophobicContact CH2-CB 4.44Å; W1179-V1222 HydrophobicContact CH2-CG2 3.04Å; W1179-V1222 HydrophobicContact CZ2-CG2 3.22Å; W1179-V1222 HydrophobicContact CZ3-CG2 3.88Å; W1179-L1225 HydrophobicContact CD2-CD1 3.9Å; W1179-L1225 HydrophobicContact CE3-CD1 3.89Å; W1179-L1225 HydrophobicContact CG-CD1 4.17Å; W1179-W1227 HydrophobicContact CE3-CZ3 4.37Å; W1179-W1227 HydrophobicContact CZ3-CZ3 4.25Å; W1179-F1230 HydrophobicContact CH2-CZ 4.42Å; W1179-F1230 HydrophobicContact CZ3-CE2 4.4Å; W1179-F1230 HydrophobicContact CZ3-CZ 4.23Å; W1179-I1265 HydrophobicContact CH2-CG2 3.79Å; W1179-I1265 HydrophobicContact CZ2-CG2 4.25Å; W1179-L1520 HydrophobicContact CB-CD1 3.72Å; W1179-L1520 HydrophobicContact CB-CD2 3.75Å; W1179-L1520 HydrophobicContact CB-CG 4.38Å; W1179-L1520 HydrophobicContact CG-CD1 4.27Å |
| 1180 | I | 90 | Very high | 84.5 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -54.2 | 167.4 | -66.5 | 171 | 0 | 0 | 0 | 109 | V1053 L1057 L1060 M1079 L1082 Q1176 L1177 L1178 V1182 S1183 M1184 L1199 L1517 L1520 | V1053-I1180 HydrophobicContact CG1-CD1 3.89Å; L1057-I1180 HydrophobicContact CB-CD1 4.29Å; L1057-I1180 HydrophobicContact CD1-CD1 3.88Å; L1057-I1180 HydrophobicContact CD1-CG1 3.71Å; L1057-I1180 HydrophobicContact CG-CD1 4.46Å; L1060-I1180 HydrophobicContact CD2-CG2 3.9Å; M1079-I1180 HydrophobicContact SD-CG2 4.28Å; L1082-I1180 HydrophobicContact CD1-CD1 4.28Å; L1082-I1180 HydrophobicContact CD1-CG2 4.12Å; Q1176-I1180 VanDerWaalsContact O-CG1 3.3Å; Q1176-I1180 WeakPolarHBondContact O-CG1 3.34Å; Q1176-I1180 PolarHBondContact O-N 3.44Å; L1177-I1180 HydrophobicContact CD2-CD1 4.46Å; L1177-I1180 PolarHBondContact O-N 3.48Å; L1178-I1180 VanDerWaalsContact C-N 3.33Å; L1178-I1180 PolarHBondContact O-N 3.4Å; I1180-V1182 VanDerWaalsContact C-N 3.3Å; I1180-V1182 PolarHBondContact O-N 2.74Å; I1180-S1183 PolarHBondContact O-N 3.2Å; I1180-S1183 VanDerWaalsContact O-N 3.12Å; I1180-M1184 HydrophobicContact CG2-CG 4.42Å; I1180-M1184 VanDerWaalsContact O-CG 3.28Å; I1180-M1184 WeakPolarHBondContact O-CG 3.47Å; I1180-M1184 PolarHBondContact O-N 3.38Å; I1180-L1199 HydrophobicContact CG2-CD2 4.48Å; I1180-L1517 HydrophobicContact CG1-CD2 4.33Å; I1180-L1517 HydrophobicContact CG2-CD2 4.35Å; I1180-L1520 HydrophobicContact CG1-CD2 3.71Å |
| 1181 | A | 90.2 | Very high | 85 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -54.9 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1177 L1178 M1184 L1185 L1199 L1200 L1203 | L1177-A1181 PolarHBondContact O-N 2.76Å; L1178-A1181 WeakPolarHBondContact O-CB 3.42Å; L1178-A1181 PolarHBondContact O-N 3.27Å; A1181-M1184 PolarHBondContact O-N 3.16Å; A1181-L1185 WeakPolarHBondContact O-CG 3.43Å; A1181-L1185 PolarHBondContact O-N 2.87Å; A1181-L1199 HydrophobicContact CB-CB 4.15Å; A1181-L1199 HydrophobicContact CB-CD2 3.89Å; A1181-L1199 HydrophobicContact CB-CG 3.91Å; A1181-L1200 HydrophobicContact CB-CB 4.02Å; A1181-L1203 HydrophobicContact CB-CD1 4.45Å |
| 1182 | V | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 179 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | L1178 W1179 I1180 L1185 W1227 F1230 I1233 L1236 | L1178-V1182 VanDerWaalsContact O-CG2 3.26Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.33Å; L1178-V1182 PolarHBondContact O-N 3.12Å; W1179-V1182 HydrophobicContact CE3-CB 4.09Å; W1179-V1182 HydrophobicContact CE3-CG1 4.09Å; W1179-V1182 HydrophobicContact CZ3-CB 4.3Å; W1179-V1182 HydrophobicContact CZ3-CG1 3.88Å; I1180-V1182 VanDerWaalsContact C-N 3.3Å; I1180-V1182 PolarHBondContact O-N 2.74Å; V1182-L1185 PolarHBondContact O-N 3.17Å; V1182-W1227 HydrophobicContact CG1-CH2 3.82Å; V1182-W1227 HydrophobicContact CG1-CZ3 3.77Å; V1182-F1230 HydrophobicContact CG1-CE2 4.18Å; V1182-F1230 HydrophobicContact CG1-CZ 4.43Å; V1182-I1233 HydrophobicContact CG1-CG1 4.43Å; V1182-I1233 HydrophobicContact CG2-CD1 4.11Å; V1182-I1233 HydrophobicContact CG2-CG1 4.02Å; V1182-I1233 HydrophobicContact CG2-CG2 4.42Å; V1182-L1236 HydrophobicContact CG1-CD1 3.86Å |
| 1183 | S | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | W1179 I1180 L1185 E1186 | W1179-S1183 WeakPolarHBondContact O-CB 3.45Å; W1179-S1183 PolarHBondContact O-N 3.45Å; W1179-S1183 PolarHBondContact O-OG 3.44Å; I1180-S1183 PolarHBondContact O-N 3.2Å; I1180-S1183 VanDerWaalsContact O-N 3.12Å; S1183-L1185 PolarHBondContact O-N 2.89Å; S1183-E1186 PolarHBondContact O-N 3.43Å; S1183-E1186 VanDerWaalsContact O-N 3.17Å |
| 1184 | M | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.2 | -26.3 | 177.6 | -64.6 | -61.6 | -69 | 0 | 0 | 113.3 | L1060 I1064 V1075 M1079 I1180 A1181 E1186 S1187 E1192 V1513 | L1060-M1184 HydrophobicContact CD2-SD 4.32Å; I1064-M1184 HydrophobicContact CD1-CE 3.65Å; I1064-M1184 HydrophobicContact CD1-SD 3.25Å; I1064-M1184 WeakPolarHBondContact CD1-SD 3.42Å; V1075-M1184 HydrophobicContact CG1-CE 4.39Å; M1079-M1184 HydrophobicContact CE-CE 4.46Å; M1079-M1184 HydrophobicContact CE-CG 3.79Å; M1079-M1184 HydrophobicContact CG-CE 4.23Å; M1079-M1184 HydrophobicContact SD-CE 4.19Å; M1079-M1184 HydrophobicContact SD-CG 4.11Å; M1079-M1184 HydrophobicContact SD-SD 4.35Å; I1180-M1184 HydrophobicContact CG2-CG 4.42Å; I1180-M1184 VanDerWaalsContact O-CG 3.28Å; I1180-M1184 WeakPolarHBondContact O-CG 3.47Å; I1180-M1184 PolarHBondContact O-N 3.38Å; A1181-M1184 PolarHBondContact O-N 3.16Å; M1184-E1186 PolarHBondContact O-N 3.35Å; M1184-S1187 VanDerWaalsContact O-CB 3.28Å; M1184-S1187 WeakPolarHBondContact O-CB 3.28Å; M1184-S1187 PolarHBondContact O-N 3.39Å; M1184-E1192 HydrophobicContact CE-CB 3.82Å; M1184-E1192 HydrophobicContact CE-CG 4.08Å; M1184-V1513 HydrophobicContact SD-CG1 4.17Å |
| 1185 | L | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.4 | 177.1 | -63 | 177.4 | 0 | 0 | 0 | 113.6 | A1181 V1182 S1183 S1187 F1193 L1197 L1200 L1236 V1237 | A1181-L1185 WeakPolarHBondContact O-CG 3.43Å; A1181-L1185 PolarHBondContact O-N 2.87Å; V1182-L1185 PolarHBondContact O-N 3.17Å; S1183-L1185 PolarHBondContact O-N 2.89Å; L1185-S1187 VanDerWaalsContact C-N 3.32Å; L1185-F1193 HydrophobicContact CB-CD2 4.32Å; L1185-F1193 HydrophobicContact CB-CE2 3.95Å; L1185-F1193 HydrophobicContact CD2-CD2 4.09Å; L1185-F1193 HydrophobicContact CD2-CE1 4.28Å; L1185-F1193 HydrophobicContact CD2-CE2 3.72Å; L1185-F1193 HydrophobicContact CD2-CZ 3.81Å; L1185-F1193 HydrophobicContact CG-CE2 4.43Å; L1185-F1193 VanDerWaalsContact O-CD2 3.26Å; L1185-F1193 WeakPolarHBondContact O-CD2 3.34Å; L1185-F1193 VanDerWaalsContact O-CE2 3.23Å; L1185-F1193 WeakPolarHBondContact O-CE2 3.44Å; L1185-L1197 HydrophobicContact CD2-CB 4.05Å; L1185-L1197 HydrophobicContact CD2-CD1 4.22Å; L1185-L1200 HydrophobicContact CD1-CD2 3.86Å; L1185-L1236 HydrophobicContact CB-CB 3.94Å; L1185-L1236 HydrophobicContact CD1-CB 4.18Å; L1185-V1237 HydrophobicContact CD1-CG2 3.67Å |
| 1186 | E | 87.6 | Confident | 87.2 | Confident | 25 Ų | 25 | 13.5 Ų | 13.5 | 12% | 0.117 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -17 | 170.8 | -76 | -160.3 | 151.2 | 0 | 0 | 113.4 | S1183 M1184 W1227 L1236 K1239 K1512 V1513 H1516 | S1183-E1186 PolarHBondContact O-N 3.43Å; S1183-E1186 VanDerWaalsContact O-N 3.17Å; M1184-E1186 PolarHBondContact O-N 3.35Å; E1186-W1227 HydrophobicContact CG-CZ2 4Å; E1186-W1227 VanDerWaalsContact OE1-CZ2 3.28Å; E1186-W1227 WeakPolarHBondContact OE1-CZ2 3.38Å; E1186-L1236 HydrophobicContact CG-CD2 3.9Å; E1186-K1239 PolarHBondContact O-NZ 3.34Å; E1186-K1512 VanDerWaalsContact OE2-CB 3.31Å; E1186-K1512 WeakPolarHBondContact OE2-CB 2.96Å; E1186-V1513 HydrophobicContact CB-CG2 3.83Å; E1186-H1516 VanDerWaalsContact CD-CE1 3.47Å; E1186-H1516 IonicContact OE1-CE1 3.35Å; E1186-H1516 IonicContact OE2-CE1 2.67Å; E1186-H1516 PolarHBondContact OE2-CE1 3.03Å; E1186-H1516 IonicContact OE2-ND1 2.94Å; E1186-H1516 PolarHBondContact OE2-ND1 3.06Å |
| 1187 | S | 87.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -59.8 | 140.7 | -178.7 | -174.7 | 0 | 0 | 0 | 0 | 112 | M1184 L1185 F1189 E1192 K1239 | M1184-S1187 VanDerWaalsContact O-CB 3.28Å; M1184-S1187 WeakPolarHBondContact O-CB 3.28Å; M1184-S1187 PolarHBondContact O-N 3.39Å; L1185-S1187 VanDerWaalsContact C-N 3.32Å; S1187-F1189 VanDerWaalsContact C-N 3.34Å; S1187-F1189 PolarHBondContact OG-N 2.92Å; S1187-F1189 VanDerWaalsContact OG-N 3.16Å; S1187-E1192 VanDerWaalsContact CB-OE2 3.26Å; S1187-E1192 WeakPolarHBondContact CB-OE2 3.39Å; S1187-E1192 PolarHBondContact OG-OE2 2.83Å; S1187-K1239 VanDerWaalsContact C-NZ 3.31Å; S1187-K1239 PolarHBondContact O-NZ 3.1Å | ||
| 1188 | D | 81.5 | Confident | 87.5 | Confident | 37 Ų | 37 | 18.2 Ų | 18.2 | 20% | 0.198 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -86 | -9.9 | 172.6 | -74.6 | -24 | 0 | 0 | 0 | 112.3 | K1239 S1506 N1509 | D1188-K1239 VanDerWaalsContact OD1-CE 3.3Å; D1188-K1239 WeakPolarHBondContact OD1-CE 2.98Å; D1188-K1239 IonicContact OD1-NZ 4Å; D1188-K1239 PolarHBondContact OD1-NZ 3.5Å; D1188-S1506 WeakPolarHBondContact OD2-CA 3.37Å; D1188-N1509 PolarHBondContact OD1-ND2 3.03Å; D1188-N1509 PolarHBondContact OD2-ND2 3.11Å |
| 1189 | F | 82.5 | Confident | 87.6 | Confident | 50 Ų | 50 | 18.2 Ų | 18.2 | 22% | 0.219 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -83.4 | 119.4 | 176.2 | -64.3 | -88.7 | 0 | 0 | 0 | 109.7 | H1067 S1187 S1191 E1192 F1193 S1506 Q1510 | H1067-F1189 AromaticContact CD2-CZ 3.42Å; H1067-F1189 VanDerWaalsContact CD2-CZ 3.42Å; H1067-F1189 WeakPolarHBondContact CD2-CZ 3.31Å; H1067-F1189 AromaticContact NE2-CE2 3.77Å; H1067-F1189 AromaticContact NE2-CZ 3.39Å; H1067-F1189 WeakPolarHBondContact NE2-CZ 3.14Å; S1187-F1189 VanDerWaalsContact C-N 3.34Å; S1187-F1189 PolarHBondContact OG-N 2.92Å; S1187-F1189 VanDerWaalsContact OG-N 3.16Å; F1189-S1191 PolarHBondContact O-N 3.16Å; F1189-E1192 HydrophobicContact CB-CB 4.29Å; F1189-E1192 HydrophobicContact CB-CG 4.24Å; F1189-E1192 PolarHBondContact O-N 3.43Å; F1189-F1193 WeakPolarHBondContact O-CB 3.47Å; F1189-F1193 PolarHBondContact O-N 3.25Å; F1189-S1506 WeakPolarHBondContact CE2-OG 3.29Å; F1189-S1506 WeakPolarHBondContact CZ-OG 2.96Å; F1189-Q1510 HydrophobicContact CD2-CG 4.07Å; F1189-Q1510 HydrophobicContact CE2-CG 3.62Å; F1189-Q1510 VanDerWaalsContact CE2-NE2 3.34Å |
| 1190 | E | 82.4 | Confident | 87.6 | Confident | 51 Ų | 51 | 18.2 Ų | 18.2 | 24% | 0.238 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.7 | -34.4 | -174.9 | -179.1 | 173.9 | -148.2 | 0 | 0 | 112.7 | S1194 F1243 S1244 N1245 A1246 | E1190-S1194 WeakPolarHBondContact O-CB 3.32Å; E1190-S1194 PolarHBondContact O-N 2.98Å; E1190-F1243 HydrophobicContact CB-CD1 4.13Å; E1190-F1243 HydrophobicContact CB-CG 4.34Å; E1190-F1243 HydrophobicContact CG-CB 3.97Å; E1190-F1243 HydrophobicContact CG-CD1 4.38Å; E1190-F1243 HydrophobicContact CG-CG 4.16Å; E1190-F1243 WeakPolarHBondContact OE1-CB 3.37Å; E1190-S1244 PolarHBondContact OE1-N 3.35Å; E1190-N1245 VanDerWaalsContact OE1-CA 3.24Å; E1190-N1245 WeakPolarHBondContact OE1-CA 3.28Å; E1190-N1245 WeakPolarHBondContact OE1-CB 3.43Å; E1190-N1245 PolarHBondContact OE1-N 3.04Å; E1190-N1245 PolarHBondContact OE2-ND2 2.98Å; E1190-A1246 HydrophobicContact CG-CB 4.48Å; E1190-A1246 PolarHBondContact OE1-N 3.42Å; E1190-A1246 VanDerWaalsContact OE1-N 3.15Å |
| 1191 | S | 80.4 | Confident | 87.5 | Confident | 69 Ų | 69 | 20.9 Ų | 20.9 | 48% | 0.483 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.9 | -53.7 | 177 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | F1189 F1193 S1194 M1195 | F1189-S1191 PolarHBondContact O-N 3.16Å; S1191-F1193 PolarHBondContact O-N 3.3Å; S1191-S1194 PolarHBondContact O-N 2.85Å; S1191-M1195 VanDerWaalsContact O-CG 3.29Å; S1191-M1195 WeakPolarHBondContact O-CG 3.26Å; S1191-M1195 PolarHBondContact O-N 2.92Å |
| 1192 | E | 85.4 | Confident | 87.2 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 177.2 | -70.6 | 178.2 | -162.9 | 0 | 0 | 112.4 | V1075 M1184 S1187 F1189 S1194 M1195 G1196 Q1510 | V1075-E1192 HydrophobicContact CG1-CG 4.46Å; M1184-E1192 HydrophobicContact CE-CB 3.82Å; M1184-E1192 HydrophobicContact CE-CG 4.08Å; S1187-E1192 VanDerWaalsContact CB-OE2 3.26Å; S1187-E1192 WeakPolarHBondContact CB-OE2 3.39Å; S1187-E1192 PolarHBondContact OG-OE2 2.83Å; F1189-E1192 HydrophobicContact CB-CB 4.29Å; F1189-E1192 HydrophobicContact CB-CG 4.24Å; F1189-E1192 PolarHBondContact O-N 3.43Å; E1192-S1194 VanDerWaalsContact C-N 3.34Å; E1192-S1194 PolarHBondContact O-N 3.02Å; E1192-M1195 HydrophobicContact CG-CE 4.32Å; E1192-M1195 PolarHBondContact O-N 3.26Å; E1192-G1196 PolarHBondContact O-N 3.43Å; E1192-Q1510 PolarHBondContact OE1-NE2 3.3Å; E1192-Q1510 PolarHBondContact OE2-NE2 3.15Å |
| 1193 | F | 89 | Confident | 86.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 176 | -177.9 | -84.3 | 0 | 0 | 0 | 111 | L1185 F1189 S1191 M1195 G1196 L1197 K1239 F1243 A1246 | L1185-F1193 HydrophobicContact CB-CD2 4.32Å; L1185-F1193 HydrophobicContact CB-CE2 3.95Å; L1185-F1193 HydrophobicContact CD2-CD2 4.09Å; L1185-F1193 HydrophobicContact CD2-CE1 4.28Å; L1185-F1193 HydrophobicContact CD2-CE2 3.72Å; L1185-F1193 HydrophobicContact CD2-CZ 3.81Å; L1185-F1193 HydrophobicContact CG-CE2 4.43Å; L1185-F1193 VanDerWaalsContact O-CD2 3.26Å; L1185-F1193 WeakPolarHBondContact O-CD2 3.34Å; L1185-F1193 VanDerWaalsContact O-CE2 3.23Å; L1185-F1193 WeakPolarHBondContact O-CE2 3.44Å; F1189-F1193 WeakPolarHBondContact O-CB 3.47Å; F1189-F1193 PolarHBondContact O-N 3.25Å; S1191-F1193 PolarHBondContact O-N 3.3Å; F1193-M1195 VanDerWaalsContact C-N 3.35Å; F1193-M1195 PolarHBondContact O-N 2.72Å; F1193-G1196 PolarHBondContact O-N 3.03Å; F1193-L1197 HydrophobicContact CE1-CD2 4.22Å; F1193-L1197 VanDerWaalsContact O-CB 3.29Å; F1193-L1197 WeakPolarHBondContact O-CB 3.07Å; F1193-L1197 PolarHBondContact O-N 3.16Å; F1193-K1239 HydrophobicContact CE2-CB 4.03Å; F1193-K1239 HydrophobicContact CE2-CD 4.28Å; F1193-K1239 HydrophobicContact CZ-CB 4.37Å; F1193-F1243 HydrophobicContact CB-CD2 4.37Å; F1193-F1243 HydrophobicContact CB-CE2 3.93Å; F1193-F1243 AromaticContact CD1-CD2 3.75Å; F1193-F1243 HydrophobicContact CD1-CD2 3.75Å; F1193-F1243 AromaticContact CD1-CE2 3.93Å; F1193-F1243 HydrophobicContact CD1-CE2 3.93Å; F1193-F1243 HydrophobicContact CD2-CD2 4.43Å; F1193-F1243 AromaticContact CD2-CE2 3.81Å; F1193-F1243 HydrophobicContact CD2-CE2 3.81Å; F1193-F1243 HydrophobicContact CE1-CD2 4.2Å; F1193-F1243 HydrophobicContact CE1-CE2 4.49Å; F1193-F1243 HydrophobicContact CE2-CE2 4.36Å; F1193-F1243 AromaticContact CG-CD2 3.91Å; F1193-F1243 HydrophobicContact CG-CD2 3.91Å; F1193-F1243 AromaticContact CG-CE2 3.59Å; F1193-F1243 HydrophobicContact CG-CE2 3.59Å; F1193-A1246 HydrophobicContact CD1-CB 4.15Å; F1193-A1246 HydrophobicContact CE1-CB 4.38Å |
| 1194 | S | 87.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 26 Ų | 26 | 17% | 0.168 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 179 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | E1190 S1191 E1192 L1197 K1198 | E1190-S1194 WeakPolarHBondContact O-CB 3.32Å; E1190-S1194 PolarHBondContact O-N 2.98Å; S1191-S1194 PolarHBondContact O-N 2.85Å; E1192-S1194 VanDerWaalsContact C-N 3.34Å; E1192-S1194 PolarHBondContact O-N 3.02Å; S1194-L1197 WeakPolarHBondContact O-CB 3.19Å; S1194-L1197 PolarHBondContact O-N 3.09Å; S1194-K1198 WeakPolarHBondContact O-CG 3.4Å; S1194-K1198 PolarHBondContact O-N 3.29Å |
| 1195 | M | 86.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 30.1 Ų | 30.1 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 174.9 | -69.9 | -176.6 | -63.9 | 0 | 0 | 112.5 | A1076 M1079 S1191 E1192 F1193 L1197 K1198 L1199 | A1076-M1195 WeakPolarHBondContact CA-SD 3.48Å; A1076-M1195 HydrophobicContact CB-CE 3.96Å; A1076-M1195 HydrophobicContact CB-SD 3.58Å; A1076-M1195 VanDerWaalsContact CB-SD 3.58Å; M1079-M1195 HydrophobicContact CB-CB 3.91Å; M1079-M1195 HydrophobicContact CB-CG 4.4Å; M1079-M1195 HydrophobicContact CB-SD 3.92Å; M1079-M1195 HydrophobicContact CE-CB 4.41Å; M1079-M1195 HydrophobicContact CG-CB 4.3Å; M1079-M1195 HydrophobicContact CG-CE 4.49Å; M1079-M1195 HydrophobicContact CG-SD 4.5Å; S1191-M1195 VanDerWaalsContact O-CG 3.29Å; S1191-M1195 WeakPolarHBondContact O-CG 3.26Å; S1191-M1195 PolarHBondContact O-N 2.92Å; E1192-M1195 HydrophobicContact CG-CE 4.32Å; E1192-M1195 PolarHBondContact O-N 3.26Å; F1193-M1195 VanDerWaalsContact C-N 3.35Å; F1193-M1195 PolarHBondContact O-N 2.72Å; M1195-L1197 VanDerWaalsContact C-N 3.26Å; M1195-L1197 PolarHBondContact O-N 3.03Å; M1195-K1198 PolarHBondContact O-N 3.46Å; M1195-L1199 WeakPolarHBondContact O-CB 3.29Å; M1195-L1199 PolarHBondContact O-N 3.38Å |
| 1196 | G | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -40.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1192 F1193 L1200 | E1192-G1196 PolarHBondContact O-N 3.43Å; F1193-G1196 PolarHBondContact O-N 3.03Å; G1196-L1200 WeakPolarHBondContact O-CB 3.29Å; G1196-L1200 PolarHBondContact O-N 3.29Å |
| 1197 | L | 91.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -43.1 | 178.4 | -172.2 | 70.4 | 0 | 0 | 0 | 113 | L1185 F1193 S1194 M1195 L1200 E1201 V1237 A1249 A1250 V1253 | L1185-L1197 HydrophobicContact CD2-CB 4.05Å; L1185-L1197 HydrophobicContact CD2-CD1 4.22Å; F1193-L1197 HydrophobicContact CE1-CD2 4.22Å; F1193-L1197 VanDerWaalsContact O-CB 3.29Å; F1193-L1197 WeakPolarHBondContact O-CB 3.07Å; F1193-L1197 PolarHBondContact O-N 3.16Å; S1194-L1197 WeakPolarHBondContact O-CB 3.19Å; S1194-L1197 PolarHBondContact O-N 3.09Å; M1195-L1197 VanDerWaalsContact C-N 3.26Å; M1195-L1197 PolarHBondContact O-N 3.03Å; L1197-L1200 PolarHBondContact O-N 3.11Å; L1197-E1201 WeakPolarHBondContact O-CB 3.25Å; L1197-E1201 PolarHBondContact O-N 3.29Å; L1197-V1237 HydrophobicContact CD1-CG1 3.79Å; L1197-V1237 HydrophobicContact CD1-CG2 4.2Å; L1197-A1249 HydrophobicContact CD2-CB 3.6Å; L1197-A1250 HydrophobicContact CD2-CB 4.07Å; L1197-V1253 HydrophobicContact CD1-CB 3.87Å; L1197-V1253 HydrophobicContact CD1-CG1 4.14Å; L1197-V1253 HydrophobicContact CD1-CG2 3.63Å; L1197-V1253 HydrophobicContact CG-CG2 3.99Å |
| 1198 | K | 89.1 | Confident | 82.5 | Confident | 99 Ų | 99 | 36 Ų | 36 | 43% | 0.43 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.6 | -74.4 | 175.5 | -177.8 | 178 | 0 | 112 | S1194 M1195 L1200 E1201 R1202 | S1194-K1198 WeakPolarHBondContact O-CG 3.4Å; S1194-K1198 PolarHBondContact O-N 3.29Å; M1195-K1198 PolarHBondContact O-N 3.46Å; K1198-L1200 VanDerWaalsContact C-N 3.33Å; K1198-L1200 PolarHBondContact O-N 3.46Å; K1198-E1201 PolarHBondContact O-N 3.45Å; K1198-R1202 WeakPolarHBondContact O-CB 3.49Å; K1198-R1202 PolarHBondContact O-N 3.45Å |
| 1199 | L | 89.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.3 | 179.4 | 61.8 | 0 | 0 | 0 | 110.9 | M1079 L1082 E1083 V1086 I1180 A1181 M1195 R1202 L1203 | M1079-L1199 HydrophobicContact CE-CB 4.37Å; M1079-L1199 HydrophobicContact CE-CD2 3.77Å; L1082-L1199 HydrophobicContact CB-CD1 4.37Å; L1082-L1199 HydrophobicContact CB-CD2 4.28Å; E1083-L1199 HydrophobicContact CB-CD1 4.32Å; V1086-L1199 HydrophobicContact CG2-CD1 3.86Å; I1180-L1199 HydrophobicContact CG2-CD2 4.48Å; A1181-L1199 HydrophobicContact CB-CB 4.15Å; A1181-L1199 HydrophobicContact CB-CD2 3.89Å; A1181-L1199 HydrophobicContact CB-CG 3.91Å; M1195-L1199 WeakPolarHBondContact O-CB 3.29Å; M1195-L1199 PolarHBondContact O-N 3.38Å; L1199-R1202 PolarHBondContact O-N 3.2Å; L1199-L1203 HydrophobicContact CD1-CD1 4.28Å; L1199-L1203 HydrophobicContact CD1-CG 4.47Å; L1199-L1203 HydrophobicContact CG-CD1 4.08Å; L1199-L1203 VanDerWaalsContact O-CG 3.28Å; L1199-L1203 WeakPolarHBondContact O-CG 3.42Å; L1199-L1203 PolarHBondContact O-N 3.21Å |
| 1200 | L | 89.5 | Confident | 80 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 175.6 | 178.9 | 60.4 | 0 | 0 | 0 | 111 | L1178 A1181 L1185 G1196 L1197 K1198 R1202 L1203 L1204 I1233 V1237 V1253 | L1178-L1200 HydrophobicContact CD1-CD1 3.53Å; L1178-L1200 HydrophobicContact CG-CD1 4.5Å; A1181-L1200 HydrophobicContact CB-CB 4.02Å; L1185-L1200 HydrophobicContact CD1-CD2 3.86Å; G1196-L1200 WeakPolarHBondContact O-CB 3.29Å; G1196-L1200 PolarHBondContact O-N 3.29Å; L1197-L1200 PolarHBondContact O-N 3.11Å; K1198-L1200 VanDerWaalsContact C-N 3.33Å; K1198-L1200 PolarHBondContact O-N 3.46Å; L1200-R1202 VanDerWaalsContact C-N 3.27Å; L1200-R1202 PolarHBondContact O-N 3.36Å; L1200-L1203 PolarHBondContact O-N 2.96Å; L1200-L1203 VanDerWaalsContact O-N 3.15Å; L1200-L1204 HydrophobicContact CD1-CD2 4.3Å; L1200-L1204 HydrophobicContact CD1-CG 4.21Å; L1200-L1204 HydrophobicContact CG-CD1 4.35Å; L1200-L1204 HydrophobicContact CG-CG 4.34Å; L1200-L1204 WeakPolarHBondContact O-CG 3.38Å; L1200-L1204 PolarHBondContact O-N 3.08Å; L1200-I1233 HydrophobicContact CD2-CG2 3.84Å; L1200-V1237 HydrophobicContact CD2-CG2 3.8Å; L1200-V1253 HydrophobicContact CD2-CG1 4.01Å; L1200-V1253 HydrophobicContact CG-CG1 4.4Å |
| 1201 | E | 87.9 | Confident | 79.1 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55 | -45.4 | 177.9 | -172.1 | 175.6 | -171.9 | 0 | 0 | 111.5 | L1197 K1198 L1203 L1204 D1205 V1253 K1256 | L1197-E1201 WeakPolarHBondContact O-CB 3.25Å; L1197-E1201 PolarHBondContact O-N 3.29Å; K1198-E1201 PolarHBondContact O-N 3.45Å; E1201-L1203 VanDerWaalsContact C-N 3.34Å; E1201-L1203 PolarHBondContact O-N 3.07Å; E1201-L1204 PolarHBondContact O-N 3.45Å; E1201-D1205 PolarHBondContact O-N 3.39Å; E1201-V1253 HydrophobicContact CB-CG2 3.76Å; E1201-V1253 HydrophobicContact CG-CG2 4.12Å; E1201-K1256 HydrophobicContact CG-CD 4.31Å; E1201-K1256 IonicContact OE1-NZ 2.91Å; E1201-K1256 PolarHBondContact OE1-NZ 2.98Å |
| 1202 | R | 84.4 | Confident | 78.5 | Confident | 84 Ų | 84 | 48.7 Ų | 48.7 | 32% | 0.317 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 179.7 | -163.7 | 56.1 | 166.8 | 176.5 | -3.8 | 112.8 | V1086 K1198 L1199 L1200 D1205 | V1086-R1202 HydrophobicContact CB-CG 4.31Å; V1086-R1202 HydrophobicContact CG1-CG 3.91Å; K1198-R1202 WeakPolarHBondContact O-CB 3.49Å; K1198-R1202 PolarHBondContact O-N 3.45Å; L1199-R1202 PolarHBondContact O-N 3.2Å; L1200-R1202 VanDerWaalsContact C-N 3.27Å; L1200-R1202 PolarHBondContact O-N 3.36Å; R1202-D1205 IonicContact NH1-OD2 3.99Å; R1202-D1205 PolarHBondContact O-N 2.92Å |
| 1203 | L | 84.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 174.9 | -72.4 | 167 | 0 | 0 | 0 | 111.6 | V1086 L1174 L1177 L1178 A1181 L1199 L1200 E1201 D1205 L1206 Y1207 | V1086-L1203 HydrophobicContact CG1-CD2 3.88Å; V1086-L1203 HydrophobicContact CG1-CG 4.41Å; V1086-L1203 HydrophobicContact CG2-CD2 3.72Å; V1086-L1203 HydrophobicContact CG2-CG 4.21Å; L1174-L1203 HydrophobicContact CD2-CD2 3.87Å; L1177-L1203 HydrophobicContact CB-CD1 3.96Å; L1177-L1203 HydrophobicContact CB-CD2 4.16Å; L1178-L1203 HydrophobicContact CB-CD1 4.21Å; L1178-L1203 HydrophobicContact CD1-CB 4.21Å; L1178-L1203 HydrophobicContact CD1-CD1 4.23Å; A1181-L1203 HydrophobicContact CB-CD1 4.45Å; L1199-L1203 HydrophobicContact CD1-CD1 4.28Å; L1199-L1203 HydrophobicContact CD1-CG 4.47Å; L1199-L1203 HydrophobicContact CG-CD1 4.08Å; L1199-L1203 VanDerWaalsContact O-CG 3.28Å; L1199-L1203 WeakPolarHBondContact O-CG 3.42Å; L1199-L1203 PolarHBondContact O-N 3.21Å; L1200-L1203 PolarHBondContact O-N 2.96Å; L1200-L1203 VanDerWaalsContact O-N 3.15Å; E1201-L1203 VanDerWaalsContact C-N 3.34Å; E1201-L1203 PolarHBondContact O-N 3.07Å; L1203-D1205 PolarHBondContact O-N 2.95Å; L1203-L1206 PolarHBondContact O-N 2.94Å; L1203-L1206 VanDerWaalsContact O-N 3.12Å; L1203-Y1207 VanDerWaalsContact O-CB 3.25Å; L1203-Y1207 WeakPolarHBondContact O-CB 3.48Å; L1203-Y1207 PolarHBondContact O-N 3.05Å |
| 1204 | L | 81.9 | Confident | 76.6 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 176.3 | -67.3 | -179.8 | 0 | 0 | 0 | 112.1 | L1200 E1201 L1206 F1209 V1253 K1256 L1257 | L1200-L1204 HydrophobicContact CD1-CD2 4.3Å; L1200-L1204 HydrophobicContact CD1-CG 4.21Å; L1200-L1204 HydrophobicContact CG-CD1 4.35Å; L1200-L1204 HydrophobicContact CG-CG 4.34Å; L1200-L1204 WeakPolarHBondContact O-CG 3.38Å; L1200-L1204 PolarHBondContact O-N 3.08Å; E1201-L1204 PolarHBondContact O-N 3.45Å; L1204-L1206 VanDerWaalsContact C-N 3.33Å; L1204-L1206 PolarHBondContact O-N 2.87Å; L1204-F1209 HydrophobicContact CD2-CD2 4.13Å; L1204-F1209 HydrophobicContact CD2-CE2 3.26Å; L1204-F1209 HydrophobicContact CD2-CZ 3.75Å; L1204-V1253 HydrophobicContact CD1-CG1 3.89Å; L1204-K1256 HydrophobicContact CD1-CB 4.1Å; L1204-L1257 HydrophobicContact CD1-CD2 3.83Å; L1204-L1257 HydrophobicContact CD1-CG 4.14Å; L1204-L1257 HydrophobicContact CD2-CD2 3.99Å |
| 1205 | D | 77.3 | Confident | 75.8 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.9 | -28.5 | 177 | -69 | -18 | 0 | 0 | 0 | 113.1 | E1201 R1202 L1203 K1256 | E1201-D1205 PolarHBondContact O-N 3.39Å; R1202-D1205 IonicContact NH1-OD2 3.99Å; R1202-D1205 PolarHBondContact O-N 2.92Å; L1203-D1205 PolarHBondContact O-N 2.95Å; D1205-K1256 WeakPolarHBondContact OD1-CE 3.34Å; D1205-K1256 IonicContact OD1-NZ 2.7Å; D1205-K1256 PolarHBondContact OD1-NZ 2.89Å; D1205-K1256 IonicContact OD2-NZ 2.71Å; D1205-K1256 PolarHBondContact OD2-NZ 3.25Å |
| 1206 | L | 69.5 | Low | 75 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -95.2 | -33.4 | 179.6 | -68.4 | -171.6 | 0 | 0 | 0 | 113.6 | V1086 E1090 L1203 L1204 Q1208 | V1086-L1206 HydrophobicContact CG1-CD1 3.33Å; V1086-L1206 HydrophobicContact CG1-CG 4.24Å; V1086-L1206 VanDerWaalsContact O-CD1 3.24Å; V1086-L1206 WeakPolarHBondContact O-CD1 3.45Å; E1090-L1206 HydrophobicContact CG-CD2 3.91Å; L1203-L1206 PolarHBondContact O-N 2.94Å; L1203-L1206 VanDerWaalsContact O-N 3.12Å; L1204-L1206 VanDerWaalsContact C-N 3.33Å; L1204-L1206 PolarHBondContact O-N 2.87Å; L1206-Q1208 PolarHBondContact O-N 3.04Å; L1206-Q1208 VanDerWaalsContact O-N 3.12Å |
| 1207 | Y | 63.2 | Low | 74.3 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | trans | -76.2 | 105.4 | -173.9 | -144.4 | -103.3 | 0 | 0 | 0 | 108.5 | L1174 L1203 F1209 C1214 L1218 | L1174-Y1207 HydrophobicContact CB-CD2 4.43Å; L1174-Y1207 HydrophobicContact CB-CE2 4.11Å; L1203-Y1207 VanDerWaalsContact O-CB 3.25Å; L1203-Y1207 WeakPolarHBondContact O-CB 3.48Å; L1203-Y1207 PolarHBondContact O-N 3.05Å; Y1207-F1209 AromaticContact CD1-CD1 3.81Å; Y1207-F1209 HydrophobicContact CD1-CD1 3.81Å; Y1207-F1209 AromaticContact CD1-CD2 3.81Å; Y1207-F1209 HydrophobicContact CD1-CD2 3.81Å; Y1207-F1209 AromaticContact CD1-CE1 3.64Å; Y1207-F1209 HydrophobicContact CD1-CE1 3.64Å; Y1207-F1209 AromaticContact CD1-CE2 3.58Å; Y1207-F1209 HydrophobicContact CD1-CE2 3.58Å; Y1207-F1209 AromaticContact CD1-CG 3.9Å; Y1207-F1209 HydrophobicContact CD1-CG 3.9Å; Y1207-F1209 AromaticContact CD1-CZ 3.51Å; Y1207-F1209 HydrophobicContact CD1-CZ 3.51Å; Y1207-F1209 HydrophobicContact CE1-CD1 4.24Å; Y1207-F1209 AromaticContact CE1-CE1 3.94Å; Y1207-F1209 HydrophobicContact CE1-CE1 3.94Å; Y1207-F1209 HydrophobicContact CE1-CZ 4.14Å; Y1207-F1209 HydrophobicContact CG-CD2 4.32Å; Y1207-F1209 AromaticContact CG-CE2 3.95Å; Y1207-F1209 HydrophobicContact CG-CE2 3.95Å; Y1207-F1209 HydrophobicContact CG-CZ 4.15Å; Y1207-F1209 WeakPolarHBondContact O-CD2 3.47Å; Y1207-F1209 PolarHBondContact O-N 3.44Å; Y1207-C1214 HydrophobicContact CD1-CB 4.36Å; Y1207-C1214 HydrophobicContact CE1-CB 3.43Å; Y1207-C1214 VanDerWaalsContact CE1-CB 3.43Å; Y1207-C1214 WeakPolarHBondContact OH-CB 3.4Å; Y1207-L1218 HydrophobicContact CE1-CD1 3.79Å | ||
| 1208 | Q | 59.9 | Low | 73.7 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | trans | -66.1 | 76.6 | 168.9 | -69.3 | 176.4 | -9.5 | 0 | 0 | 109 | E1093 L1206 E1210 R1211 | E1093-Q1208 PolarHBondContact OE1-NE2 3.34Å; E1093-Q1208 VanDerWaalsContact OE1-NE2 3.09Å; L1206-Q1208 PolarHBondContact O-N 3.04Å; L1206-Q1208 VanDerWaalsContact O-N 3.12Å; Q1208-E1210 PolarHBondContact O-N 3.34Å; Q1208-R1211 PolarHBondContact O-N 3.43Å; Q1208-R1211 VanDerWaalsContact OE1-NH1 3.13Å | ||
| 1209 | F | 56 | Low | 73.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -11.2 | 178.1 | -83.7 | -81 | 0 | 0 | 0 | 113.3 | L1204 Y1207 R1211 L1215 L1218 L1260 | L1204-F1209 HydrophobicContact CD2-CD2 4.13Å; L1204-F1209 HydrophobicContact CD2-CE2 3.26Å; L1204-F1209 HydrophobicContact CD2-CZ 3.75Å; Y1207-F1209 AromaticContact CD1-CD1 3.81Å; Y1207-F1209 HydrophobicContact CD1-CD1 3.81Å; Y1207-F1209 AromaticContact CD1-CD2 3.81Å; Y1207-F1209 HydrophobicContact CD1-CD2 3.81Å; Y1207-F1209 AromaticContact CD1-CE1 3.64Å; Y1207-F1209 HydrophobicContact CD1-CE1 3.64Å; Y1207-F1209 AromaticContact CD1-CE2 3.58Å; Y1207-F1209 HydrophobicContact CD1-CE2 3.58Å; Y1207-F1209 AromaticContact CD1-CG 3.9Å; Y1207-F1209 HydrophobicContact CD1-CG 3.9Å; Y1207-F1209 AromaticContact CD1-CZ 3.51Å; Y1207-F1209 HydrophobicContact CD1-CZ 3.51Å; Y1207-F1209 HydrophobicContact CE1-CD1 4.24Å; Y1207-F1209 AromaticContact CE1-CE1 3.94Å; Y1207-F1209 HydrophobicContact CE1-CE1 3.94Å; Y1207-F1209 HydrophobicContact CE1-CZ 4.14Å; Y1207-F1209 HydrophobicContact CG-CD2 4.32Å; Y1207-F1209 AromaticContact CG-CE2 3.95Å; Y1207-F1209 HydrophobicContact CG-CE2 3.95Å; Y1207-F1209 HydrophobicContact CG-CZ 4.15Å; Y1207-F1209 WeakPolarHBondContact O-CD2 3.47Å; Y1207-F1209 PolarHBondContact O-N 3.44Å; F1209-R1211 PolarHBondContact O-N 3.06Å; F1209-L1215 HydrophobicContact CD1-CD2 3.7Å; F1209-L1215 HydrophobicContact CE1-CD2 4.16Å; F1209-L1218 HydrophobicContact CE1-CD1 3.9Å; F1209-L1260 HydrophobicContact CB-CD1 3.98Å; F1209-L1260 HydrophobicContact CB-CD2 3.99Å; F1209-L1260 HydrophobicContact CD1-CD1 4.33Å; F1209-L1260 HydrophobicContact CD2-CD1 4Å; F1209-L1260 HydrophobicContact CG-CD1 3.84Å |
| 1210 | E | 56.1 | Low | 72.6 | Confident | 186 Ų | 186 | 64.9 Ų | 64.9 | 87% | 0.869 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.4 | 168.1 | -61.9 | 177.6 | 173.4 | 0 | 0 | 113.3 | Q1208 Q1212 | Q1208-E1210 PolarHBondContact O-N 3.34Å; E1210-Q1212 PolarHBondContact O-N 3.16Å |
| 1211 | R | 63.3 | Low | 72.1 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 56% | 0.562 | 30% | 0.304 | S | S | * | . | trans | -86.4 | 110.5 | 178.3 | -74.8 | -173.1 | 164.3 | 133.3 | 3.8 | 112.1 | Q1208 F1209 D1213 C1214 | Q1208-R1211 PolarHBondContact O-N 3.43Å; Q1208-R1211 VanDerWaalsContact OE1-NH1 3.13Å; F1209-R1211 PolarHBondContact O-N 3.06Å; R1211-D1213 PolarHBondContact O-N 2.66Å; R1211-C1214 WeakPolarHBondContact O-CB 3.48Å; R1211-C1214 PolarHBondContact O-N 3.08Å; R1211-C1214 VanDerWaalsContact O-N 3.08Å | ||
| 1212 | Q | 66.4 | Low | 71.7 | Confident | 117 Ų | 117 | 64 Ų | 64 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -51.7 | -37.1 | 175.2 | -168.7 | 66.1 | 26 | 0 | 0 | 113.4 | E1210 C1214 L1215 D1216 | E1210-Q1212 PolarHBondContact O-N 3.16Å; Q1212-C1214 PolarHBondContact O-N 3.2Å; Q1212-L1215 WeakPolarHBondContact O-CB 3.36Å; Q1212-L1215 PolarHBondContact O-N 3.22Å; Q1212-L1215 VanDerWaalsContact O-N 3.12Å; Q1212-D1216 PolarHBondContact NE2-OD1 2.77Å; Q1212-D1216 PolarHBondContact O-N 2.78Å |
| 1213 | D | 66.3 | Low | 71.4 | Confident | 126 Ų | 126 | 67.1 Ų | 67.1 | 67% | 0.674 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.1 | -35.6 | 180 | -59.7 | -22.8 | 0 | 0 | 0 | 113 | R1211 R1217 | R1211-D1213 PolarHBondContact O-N 2.66Å; D1213-R1217 WeakPolarHBondContact O-CB 3.45Å; D1213-R1217 PolarHBondContact O-N 3.04Å |
| 1214 | C | 68.4 | Low | 71.2 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.2 | -44.3 | 178.2 | -64.9 | 0 | 0 | 0 | 0 | 111 | Y1207 R1211 Q1212 R1217 L1218 | Y1207-C1214 HydrophobicContact CD1-CB 4.36Å; Y1207-C1214 HydrophobicContact CE1-CB 3.43Å; Y1207-C1214 VanDerWaalsContact CE1-CB 3.43Å; Y1207-C1214 WeakPolarHBondContact OH-CB 3.4Å; R1211-C1214 WeakPolarHBondContact O-CB 3.48Å; R1211-C1214 PolarHBondContact O-N 3.08Å; R1211-C1214 VanDerWaalsContact O-N 3.08Å; Q1212-C1214 PolarHBondContact O-N 3.2Å; C1214-R1217 WeakPolarHBondContact O-CB 3.49Å; C1214-R1217 PolarHBondContact O-N 3.32Å; C1214-L1218 WeakPolarHBondContact O-CG 3.41Å; C1214-L1218 PolarHBondContact O-N 3.02Å |
| 1215 | L | 70.9 | Confident | 71 | Confident | 23 Ų | 23 | 72.4 Ų | 72.4 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 176.8 | -69.6 | 175.9 | 0 | 0 | 0 | 112 | F1209 Q1212 R1217 L1218 T1219 | F1209-L1215 HydrophobicContact CD1-CD2 3.7Å; F1209-L1215 HydrophobicContact CE1-CD2 4.16Å; Q1212-L1215 WeakPolarHBondContact O-CB 3.36Å; Q1212-L1215 PolarHBondContact O-N 3.22Å; Q1212-L1215 VanDerWaalsContact O-N 3.12Å; L1215-R1217 PolarHBondContact O-N 3.28Å; L1215-L1218 PolarHBondContact O-N 2.97Å; L1215-T1219 WeakPolarHBondContact O-CB 3.45Å; L1215-T1219 PolarHBondContact O-N 2.83Å; L1215-T1219 PolarHBondContact O-OG1 2.94Å |
| 1216 | D | 71.1 | Confident | 70.9 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -31.8 | 177.4 | -68.8 | -11 | 0 | 0 | 0 | 111.4 | Q1212 R1220 | Q1212-D1216 PolarHBondContact NE2-OD1 2.77Å; Q1212-D1216 PolarHBondContact O-N 2.78Å; D1216-R1220 WeakPolarHBondContact O-CG 3.3Å; D1216-R1220 PolarHBondContact O-N 3.41Å; D1216-R1220 PolarHBondContact O-NE 3.23Å |
| 1217 | R | 75.7 | Confident | 71.5 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.4 | -44.1 | 175.1 | -163.7 | 169.6 | -165.7 | -174 | -0.3 | 112.2 | D1168 T1172 D1213 C1214 L1215 T1219 R1220 M1221 | D1168-R1217 PolarHBondContact O-NH1 3.29Å; T1172-R1217 PolarHBondContact OG1-NH1 2.62Å; T1172-R1217 PolarHBondContact OG1-NH2 3.3Å; D1213-R1217 WeakPolarHBondContact O-CB 3.45Å; D1213-R1217 PolarHBondContact O-N 3.04Å; C1214-R1217 WeakPolarHBondContact O-CB 3.49Å; C1214-R1217 PolarHBondContact O-N 3.32Å; L1215-R1217 PolarHBondContact O-N 3.28Å; R1217-T1219 VanDerWaalsContact C-N 3.35Å; R1217-R1220 PolarHBondContact O-N 3.24Å; R1217-M1221 PolarHBondContact O-N 3.32Å; R1217-M1221 VanDerWaalsContact O-N 3.09Å |
| 1218 | L | 77.9 | Confident | 72 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 175 | -68.4 | 175.7 | 0 | 0 | 0 | 111.5 | L1178 W1179 Y1207 F1209 C1214 L1215 R1220 M1221 V1222 I1265 | L1178-L1218 HydrophobicContact CD2-CD1 3.56Å; L1178-L1218 HydrophobicContact CD2-CD2 3.46Å; L1178-L1218 VanDerWaalsContact CD2-CD2 3.46Å; L1178-L1218 HydrophobicContact CD2-CG 4.14Å; W1179-L1218 HydrophobicContact CZ2-CB 4.22Å; W1179-L1218 HydrophobicContact CZ2-CD2 4.33Å; Y1207-L1218 HydrophobicContact CE1-CD1 3.79Å; F1209-L1218 HydrophobicContact CE1-CD1 3.9Å; C1214-L1218 WeakPolarHBondContact O-CG 3.41Å; C1214-L1218 PolarHBondContact O-N 3.02Å; L1215-L1218 PolarHBondContact O-N 2.97Å; L1218-R1220 VanDerWaalsContact C-N 3.32Å; L1218-R1220 PolarHBondContact O-N 3.14Å; L1218-M1221 PolarHBondContact O-N 2.88Å; L1218-M1221 VanDerWaalsContact O-N 3.12Å; L1218-V1222 PolarHBondContact O-N 3.43Å; L1218-I1265 HydrophobicContact CB-CD1 3.5Å; L1218-I1265 VanDerWaalsContact CB-CD1 3.5Å |
| 1219 | T | 77.8 | Confident | 72.6 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 176.7 | -52 | 0 | 0 | 0 | 0 | 111.2 | L1215 R1217 M1221 V1222 H1223 I1265 | L1215-T1219 WeakPolarHBondContact O-CB 3.45Å; L1215-T1219 PolarHBondContact O-N 2.83Å; L1215-T1219 PolarHBondContact O-OG1 2.94Å; R1217-T1219 VanDerWaalsContact C-N 3.35Å; T1219-M1221 VanDerWaalsContact C-N 3.33Å; T1219-M1221 PolarHBondContact O-N 3.22Å; T1219-V1222 PolarHBondContact O-N 2.94Å; T1219-H1223 PolarHBondContact O-CD2 2.97Å; T1219-H1223 PolarHBondContact O-N 3.49Å; T1219-I1265 WeakPolarHBondContact OG1-CD1 3.39Å |
| 1220 | R | 78.1 | Confident | 73.9 | Confident | 151 Ų | 151 | 77.4 Ų | 77.4 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.5 | -39.9 | 175.4 | -77.2 | -177.4 | -70.4 | 168.7 | -2.2 | 112.4 | D1216 R1217 L1218 H1223 Q1224 | D1216-R1220 WeakPolarHBondContact O-CG 3.3Å; D1216-R1220 PolarHBondContact O-N 3.41Å; D1216-R1220 PolarHBondContact O-NE 3.23Å; R1217-R1220 PolarHBondContact O-N 3.24Å; L1218-R1220 VanDerWaalsContact C-N 3.32Å; L1218-R1220 PolarHBondContact O-N 3.14Å; R1220-H1223 PolarHBondContact O-N 3.25Å; R1220-Q1224 WeakPolarHBondContact O-CG 3.45Å; R1220-Q1224 PolarHBondContact O-N 3.24Å; R1220-Q1224 VanDerWaalsContact O-N 3.09Å |
| 1221 | M | 77 | Confident | 75 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | 177.8 | -72.1 | -175.8 | 74.5 | 0 | 0 | 112.6 | S1175 Q1176 W1179 R1217 L1218 T1219 H1223 Q1224 L1225 L1520 | S1175-M1221 VanDerWaalsContact CB-SD 3.57Å; S1175-M1221 PolarHBondContact OG-SD 3.15Å; Q1176-M1221 HydrophobicContact CG-CE 4.28Å; W1179-M1221 HydrophobicContact CG-CE 4.47Å; R1217-M1221 PolarHBondContact O-N 3.32Å; R1217-M1221 VanDerWaalsContact O-N 3.09Å; L1218-M1221 PolarHBondContact O-N 2.88Å; L1218-M1221 VanDerWaalsContact O-N 3.12Å; T1219-M1221 VanDerWaalsContact C-N 3.33Å; T1219-M1221 PolarHBondContact O-N 3.22Å; M1221-H1223 VanDerWaalsContact C-N 3.27Å; M1221-H1223 PolarHBondContact O-N 3.41Å; M1221-Q1224 WeakPolarHBondContact O-CB 3.43Å; M1221-Q1224 PolarHBondContact O-N 3.45Å; M1221-L1225 VanDerWaalsContact O-CG 3.29Å; M1221-L1225 WeakPolarHBondContact O-CG 3.46Å; M1221-L1225 PolarHBondContact O-N 3.24Å; M1221-L1520 HydrophobicContact CE-CD1 3.57Å |
| 1222 | V | 80.8 | Confident | 76.1 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.8 | -45.9 | 173 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | W1179 L1218 T1219 Q1224 L1225 G1226 I1265 | W1179-V1222 HydrophobicContact CH2-CB 4.44Å; W1179-V1222 HydrophobicContact CH2-CG2 3.04Å; W1179-V1222 HydrophobicContact CZ2-CG2 3.22Å; W1179-V1222 HydrophobicContact CZ3-CG2 3.88Å; L1218-V1222 PolarHBondContact O-N 3.43Å; T1219-V1222 PolarHBondContact O-N 2.94Å; V1222-Q1224 VanDerWaalsContact C-N 3.32Å; V1222-Q1224 PolarHBondContact O-N 3.27Å; V1222-L1225 PolarHBondContact O-N 3.36Å; V1222-G1226 PolarHBondContact O-N 3.36Å; V1222-I1265 HydrophobicContact CG2-CG2 4.46Å |
| 1223 | H | 78.1 | Confident | 77.1 | Confident | 149 Ų | 149 | 58.3 Ų | 58.3 | 69% | 0.69 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.3 | -33.9 | 178.2 | -70.6 | -56.7 | 0 | 0 | 0 | 112.8 | T1219 R1220 M1221 G1226 | T1219-H1223 PolarHBondContact O-CD2 2.97Å; T1219-H1223 PolarHBondContact O-N 3.49Å; R1220-H1223 PolarHBondContact O-N 3.25Å; M1221-H1223 VanDerWaalsContact C-N 3.27Å; M1221-H1223 PolarHBondContact O-N 3.41Å; H1223-G1226 PolarHBondContact O-N 3.5Å |
| 1224 | Q | 78.7 | Confident | 78.2 | Confident | 120 Ų | 120 | 52.5 Ų | 52.5 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.3 | -31.4 | 175.4 | -71.3 | 173 | -14 | 0 | 0 | 113 | R1220 M1221 V1222 G1226 A1523 | R1220-Q1224 WeakPolarHBondContact O-CG 3.45Å; R1220-Q1224 PolarHBondContact O-N 3.24Å; R1220-Q1224 VanDerWaalsContact O-N 3.09Å; M1221-Q1224 WeakPolarHBondContact O-CB 3.43Å; M1221-Q1224 PolarHBondContact O-N 3.45Å; V1222-Q1224 VanDerWaalsContact C-N 3.32Å; V1222-Q1224 PolarHBondContact O-N 3.27Å; Q1224-G1226 PolarHBondContact O-N 2.82Å; Q1224-A1523 HydrophobicContact CB-CB 3.86Å |
| 1225 | L | 78.4 | Confident | 79.1 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -22.5 | 176.5 | -71.9 | 167.5 | 0 | 0 | 0 | 112.9 | W1179 M1221 V1222 W1227 A1519 L1520 | W1179-L1225 HydrophobicContact CD2-CD1 3.9Å; W1179-L1225 HydrophobicContact CE3-CD1 3.89Å; W1179-L1225 HydrophobicContact CG-CD1 4.17Å; M1221-L1225 VanDerWaalsContact O-CG 3.29Å; M1221-L1225 WeakPolarHBondContact O-CG 3.46Å; M1221-L1225 PolarHBondContact O-N 3.24Å; V1222-L1225 PolarHBondContact O-N 3.36Å; L1225-W1227 VanDerWaalsContact C-N 3.25Å; L1225-W1227 PolarHBondContact O-N 3.31Å; L1225-A1519 HydrophobicContact CD2-CB 3.93Å; L1225-L1520 HydrophobicContact CD2-CB 3.68Å; L1225-L1520 HydrophobicContact CD2-CD1 4.07Å; L1225-L1520 HydrophobicContact CD2-CG 4.49Å; L1225-L1520 VanDerWaalsContact CD2-N 3.25Å |
| 1226 | G | 75.9 | Confident | 80 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 22.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1222 H1223 Q1224 A1228 | V1222-G1226 PolarHBondContact O-N 3.36Å; H1223-G1226 PolarHBondContact O-N 3.5Å; Q1224-G1226 PolarHBondContact O-N 2.82Å; G1226-A1228 PolarHBondContact O-N 3.39Å |
| 1227 | W | 81.1 | Confident | 81 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 10% | 0.095 | 28% | 0.275 | C | S | . | . | trans | -68.9 | 93 | -177.6 | -160.1 | -14.5 | 0 | 0 | 0 | 111.1 | W1179 V1182 E1186 L1225 N1229 F1230 L1236 H1516 | W1179-W1227 HydrophobicContact CE3-CZ3 4.37Å; W1179-W1227 HydrophobicContact CZ3-CZ3 4.25Å; V1182-W1227 HydrophobicContact CG1-CH2 3.82Å; V1182-W1227 HydrophobicContact CG1-CZ3 3.77Å; E1186-W1227 HydrophobicContact CG-CZ2 4Å; E1186-W1227 VanDerWaalsContact OE1-CZ2 3.28Å; E1186-W1227 WeakPolarHBondContact OE1-CZ2 3.38Å; L1225-W1227 VanDerWaalsContact C-N 3.25Å; L1225-W1227 PolarHBondContact O-N 3.31Å; W1227-N1229 PolarHBondContact O-N 3.06Å; W1227-F1230 AromaticContact CD2-CD2 3.63Å; W1227-F1230 HydrophobicContact CD2-CD2 3.63Å; W1227-F1230 HydrophobicContact CD2-CE2 4.26Å; W1227-F1230 AromaticContact CE2-CD2 3.86Å; W1227-F1230 AromaticContact CE3-CD2 3.65Å; W1227-F1230 HydrophobicContact CE3-CD2 3.65Å; W1227-F1230 AromaticContact CE3-CE2 3.88Å; W1227-F1230 HydrophobicContact CE3-CE2 3.88Å; W1227-F1230 HydrophobicContact CG-CB 4.39Å; W1227-F1230 HydrophobicContact CG-CD2 4.2Å; W1227-F1230 HydrophobicContact CH2-CD2 4.17Å; W1227-F1230 AromaticContact CH2-CE2 3.91Å; W1227-F1230 HydrophobicContact CH2-CE2 3.91Å; W1227-F1230 HydrophobicContact CZ2-CD2 4.11Å; W1227-F1230 HydrophobicContact CZ2-CE2 4.24Å; W1227-F1230 AromaticContact CZ3-CD2 3.94Å; W1227-F1230 HydrophobicContact CZ3-CD2 3.94Å; W1227-F1230 AromaticContact CZ3-CE2 3.7Å; W1227-F1230 HydrophobicContact CZ3-CE2 3.7Å; W1227-L1236 HydrophobicContact CH2-CD1 3.83Å; W1227-L1236 HydrophobicContact CZ2-CD1 4.08Å; W1227-H1516 AromaticContact CD1-CE1 3.86Å; W1227-H1516 AromaticContact CD1-NE2 3.34Å; W1227-H1516 VanDerWaalsContact CD1-NE2 3.34Å; W1227-H1516 AromaticContact CD2-CE1 4Å; W1227-H1516 AromaticContact CD2-NE2 3.72Å; W1227-H1516 AromaticContact CE2-CE1 3.33Å; W1227-H1516 AromaticContact CE2-ND1 3.86Å; W1227-H1516 AromaticContact CE2-NE2 3.49Å; W1227-H1516 AromaticContact CG-NE2 3.66Å; W1227-H1516 AromaticContact CZ2-CE1 3.61Å; W1227-H1516 AromaticContact CZ2-ND1 3.78Å; W1227-H1516 AromaticContact NE1-CE1 3.23Å; W1227-H1516 PolarHBondContact NE1-CE1 3.3Å; W1227-H1516 AromaticContact NE1-NE2 3.23Å; W1227-H1516 PolarHBondContact NE1-NE2 3.45Å | ||
| 1228 | A | 73.4 | Confident | 81.7 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 127.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1226 | G1226-A1228 PolarHBondContact O-N 3.39Š|
| 1229 | N | 74.3 | Confident | 82.2 | Confident | 162 Ų | 162 | 51.9 Ų | 51.9 | 87% | 0.866 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 41.5 | -179.7 | -54.6 | -33 | 0 | 0 | 0 | 114.7 | W1227 P1231 | W1227-N1229 PolarHBondContact O-N 3.06Å; N1229-P1231 WeakPolarHBondContact O-CD 3.44Å; N1229-P1231 VanDerWaalsContact O-N 3.15Å |
| 1230 | F | 81.7 | Confident | 82.7 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | trans | -49.1 | 118.8 | 175.9 | 178.8 | -115.7 | 0 | 0 | 0 | 111.9 | W1179 V1182 W1227 G1232 I1233 L1236 I1265 | W1179-F1230 HydrophobicContact CH2-CZ 4.42Å; W1179-F1230 HydrophobicContact CZ3-CE2 4.4Å; W1179-F1230 HydrophobicContact CZ3-CZ 4.23Å; V1182-F1230 HydrophobicContact CG1-CE2 4.18Å; V1182-F1230 HydrophobicContact CG1-CZ 4.43Å; W1227-F1230 AromaticContact CD2-CD2 3.63Å; W1227-F1230 HydrophobicContact CD2-CD2 3.63Å; W1227-F1230 HydrophobicContact CD2-CE2 4.26Å; W1227-F1230 AromaticContact CE2-CD2 3.86Å; W1227-F1230 AromaticContact CE3-CD2 3.65Å; W1227-F1230 HydrophobicContact CE3-CD2 3.65Å; W1227-F1230 AromaticContact CE3-CE2 3.88Å; W1227-F1230 HydrophobicContact CE3-CE2 3.88Å; W1227-F1230 HydrophobicContact CG-CB 4.39Å; W1227-F1230 HydrophobicContact CG-CD2 4.2Å; W1227-F1230 HydrophobicContact CH2-CD2 4.17Å; W1227-F1230 AromaticContact CH2-CE2 3.91Å; W1227-F1230 HydrophobicContact CH2-CE2 3.91Å; W1227-F1230 HydrophobicContact CZ2-CD2 4.11Å; W1227-F1230 HydrophobicContact CZ2-CE2 4.24Å; W1227-F1230 AromaticContact CZ3-CD2 3.94Å; W1227-F1230 HydrophobicContact CZ3-CD2 3.94Å; W1227-F1230 AromaticContact CZ3-CE2 3.7Å; W1227-F1230 HydrophobicContact CZ3-CE2 3.7Å; F1230-G1232 VanDerWaalsContact C-N 3.26Å; F1230-G1232 VanDerWaalsContact CE1-CA 3.47Å; F1230-G1232 PolarHBondContact O-N 3.29Å; F1230-I1233 HydrophobicContact CZ-CG1 3.95Å; F1230-L1236 HydrophobicContact CE2-CD1 4.07Å; F1230-I1265 HydrophobicContact CE1-CG2 4.15Å; F1230-I1265 VanDerWaalsContact CE1-O 3.26Å; F1230-I1265 WeakPolarHBondContact CE1-O 3.49Å | ||
| 1231 | P | 80.7 | Confident | 83.2 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | trans | -77.6 | -8.6 | -172.3 | 31.2 | -36.9 | 0 | 0 | 0 | 114 | N1229 R1235 L1236 | N1229-P1231 WeakPolarHBondContact O-CD 3.44Å; N1229-P1231 VanDerWaalsContact O-N 3.15Å; P1231-R1235 HydrophobicContact CB-CB 4.08Å; P1231-R1235 HydrophobicContact CB-CG 4.05Å; P1231-L1236 HydrophobicContact CG-CD2 4.02Å; P1231-L1236 HydrophobicContact CG-CG 4.13Å | ||
| 1232 | G | 84.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 94.4 | 146.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1230 Q1234 R1235 L1236 I1265 V1266 | F1230-G1232 VanDerWaalsContact C-N 3.26Å; F1230-G1232 VanDerWaalsContact CE1-CA 3.47Å; F1230-G1232 PolarHBondContact O-N 3.29Å; G1232-Q1234 VanDerWaalsContact C-N 3.3Å; G1232-Q1234 PolarHBondContact O-N 3.35Å; G1232-R1235 PolarHBondContact O-N 2.81Å; G1232-R1235 VanDerWaalsContact O-N 3.14Å; G1232-L1236 PolarHBondContact O-N 3.32Å; G1232-I1265 WeakPolarHBondContact CA-O 3.37Å; G1232-V1266 CarbonylContact C-O 3.44Å | ||
| 1233 | I | 88.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.9 | -44.3 | -177.8 | -62.1 | 173.8 | 0 | 0 | 0 | 111.2 | V1182 L1200 F1230 R1235 L1236 V1237 L1257 I1265 V1266 | V1182-I1233 HydrophobicContact CG1-CG1 4.43Å; V1182-I1233 HydrophobicContact CG2-CD1 4.11Å; V1182-I1233 HydrophobicContact CG2-CG1 4.02Å; V1182-I1233 HydrophobicContact CG2-CG2 4.42Å; L1200-I1233 HydrophobicContact CD2-CG2 3.84Å; F1230-I1233 HydrophobicContact CZ-CG1 3.95Å; I1233-R1235 VanDerWaalsContact C-N 3.27Å; I1233-R1235 PolarHBondContact O-N 3.49Å; I1233-L1236 PolarHBondContact O-N 3.42Å; I1233-V1237 HydrophobicContact CG2-CG2 4.18Å; I1233-V1237 WeakPolarHBondContact O-CG2 3.35Å; I1233-V1237 PolarHBondContact O-N 3.38Å; I1233-L1257 HydrophobicContact CG2-CD1 3.98Å; I1233-I1265 HydrophobicContact CD1-CG2 3.87Å; I1233-I1265 HydrophobicContact CG1-CG2 4.27Å; I1233-I1265 PolarHBondContact N-O 3.2Å; I1233-V1266 PolarHBondContact N-O 2.79Å |
| 1234 | Q | 89.8 | Confident | 84.2 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | -177.7 | -169.3 | -152.7 | 8.3 | 0 | 0 | 111.9 | G1232 L1236 V1237 L1238 L1257 L1261 V1266 G1273 | G1232-Q1234 VanDerWaalsContact C-N 3.3Å; G1232-Q1234 PolarHBondContact O-N 3.35Å; Q1234-L1236 VanDerWaalsContact C-N 3.34Å; Q1234-V1237 PolarHBondContact O-N 2.73Å; Q1234-L1238 HydrophobicContact CG-CD1 4.21Å; Q1234-L1238 WeakPolarHBondContact O-CB 3.46Å; Q1234-L1238 WeakPolarHBondContact O-CD1 3.32Å; Q1234-L1238 VanDerWaalsContact O-CG 3.26Å; Q1234-L1238 WeakPolarHBondContact O-CG 3.39Å; Q1234-L1238 PolarHBondContact O-N 3.36Å; Q1234-L1257 HydrophobicContact CB-CD1 4.35Å; Q1234-L1261 HydrophobicContact CB-CD2 4.42Å; Q1234-L1261 HydrophobicContact CG-CD2 4.21Å; Q1234-V1266 HydrophobicContact CB-CG1 4.37Å; Q1234-V1266 VanDerWaalsContact CB-O 3.31Å; Q1234-V1266 WeakPolarHBondContact CB-O 3.44Å; Q1234-V1266 PolarHBondContact N-O 3.2Å; Q1234-G1273 PolarHBondContact NE2-O 2.72Å; Q1234-G1273 PolarHBondContact OE1-O 2.7Å |
| 1235 | R | 87 | Confident | 84.4 | Confident | 92 Ų | 92 | 37 Ų | 37 | 35% | 0.347 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.7 | -35.9 | 179.9 | -171.2 | 60 | 176.7 | 162 | 2.8 | 111.8 | P1231 G1232 I1233 | P1231-R1235 HydrophobicContact CB-CB 4.08Å; P1231-R1235 HydrophobicContact CB-CG 4.05Å; G1232-R1235 PolarHBondContact O-N 2.81Å; G1232-R1235 VanDerWaalsContact O-N 3.14Å; I1233-R1235 VanDerWaalsContact C-N 3.27Å; I1233-R1235 PolarHBondContact O-N 3.49Å |
| 1236 | L | 90.1 | Very high | 84.8 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -44.3 | 172.5 | -64.9 | 173.7 | 0 | 0 | 0 | 111.2 | V1182 L1185 E1186 W1227 F1230 P1231 G1232 I1233 Q1234 L1238 K1239 | V1182-L1236 HydrophobicContact CG1-CD1 3.86Å; L1185-L1236 HydrophobicContact CB-CB 3.94Å; L1185-L1236 HydrophobicContact CD1-CB 4.18Å; E1186-L1236 HydrophobicContact CG-CD2 3.9Å; W1227-L1236 HydrophobicContact CH2-CD1 3.83Å; W1227-L1236 HydrophobicContact CZ2-CD1 4.08Å; F1230-L1236 HydrophobicContact CE2-CD1 4.07Å; P1231-L1236 HydrophobicContact CG-CD2 4.02Å; P1231-L1236 HydrophobicContact CG-CG 4.13Å; G1232-L1236 PolarHBondContact O-N 3.32Å; I1233-L1236 PolarHBondContact O-N 3.42Å; Q1234-L1236 VanDerWaalsContact C-N 3.34Å; L1236-L1238 VanDerWaalsContact C-N 3.3Å; L1236-L1238 PolarHBondContact O-N 3.08Å; L1236-K1239 WeakPolarHBondContact O-CB 3.45Å; L1236-K1239 PolarHBondContact O-N 2.86Å; L1236-K1239 VanDerWaalsContact O-N 3.12Å |
| 1237 | V | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | L1185 L1197 L1200 I1233 Q1234 K1239 G1240 A1250 V1253 V1254 L1257 | L1185-V1237 HydrophobicContact CD1-CG2 3.67Å; L1197-V1237 HydrophobicContact CD1-CG1 3.79Å; L1197-V1237 HydrophobicContact CD1-CG2 4.2Å; L1200-V1237 HydrophobicContact CD2-CG2 3.8Å; I1233-V1237 HydrophobicContact CG2-CG2 4.18Å; I1233-V1237 WeakPolarHBondContact O-CG2 3.35Å; I1233-V1237 PolarHBondContact O-N 3.38Å; Q1234-V1237 PolarHBondContact O-N 2.73Å; V1237-K1239 PolarHBondContact O-N 2.87Å; V1237-G1240 WeakPolarHBondContact O-CA 3.48Å; V1237-G1240 PolarHBondContact O-N 3.22Å; V1237-A1250 HydrophobicContact CG1-CB 4.36Å; V1237-V1253 HydrophobicContact CG1-CB 3.99Å; V1237-V1253 HydrophobicContact CG1-CG1 3.95Å; V1237-V1253 HydrophobicContact CG2-CG1 3.95Å; V1237-V1254 HydrophobicContact CB-CG2 4.46Å; V1237-V1254 HydrophobicContact CG1-CG2 3.72Å; V1237-L1257 HydrophobicContact CG2-CD1 4.06Å |
| 1238 | L | 89.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -21 | 178.5 | -77.4 | 164.6 | 0 | 0 | 0 | 113.6 | Q1234 L1236 G1240 C1241 V1254 F1276 F1370 | Q1234-L1238 HydrophobicContact CG-CD1 4.21Å; Q1234-L1238 WeakPolarHBondContact O-CB 3.46Å; Q1234-L1238 WeakPolarHBondContact O-CD1 3.32Å; Q1234-L1238 VanDerWaalsContact O-CG 3.26Å; Q1234-L1238 WeakPolarHBondContact O-CG 3.39Å; Q1234-L1238 PolarHBondContact O-N 3.36Å; L1236-L1238 VanDerWaalsContact C-N 3.3Å; L1236-L1238 PolarHBondContact O-N 3.08Å; L1238-G1240 PolarHBondContact O-N 3.08Å; L1238-C1241 WeakPolarHBondContact O-CB 3.49Å; L1238-C1241 PolarHBondContact O-N 3.14Å; L1238-V1254 HydrophobicContact CD2-CG2 3.98Å; L1238-V1254 HydrophobicContact CG-CG2 4.17Å; L1238-F1276 HydrophobicContact CD1-CB 3.64Å; L1238-F1370 HydrophobicContact CB-CE2 4.29Å; L1238-F1370 HydrophobicContact CB-CZ 3.96Å; L1238-F1370 HydrophobicContact CD2-CE1 4.24Å; L1238-F1370 HydrophobicContact CD2-CZ 3.96Å; L1238-F1370 VanDerWaalsContact O-CE2 3.3Å; L1238-F1370 WeakPolarHBondContact O-CE2 3.46Å; L1238-F1370 WeakPolarHBondContact O-CZ 3.44Å |
| 1239 | K | 88.4 | Confident | 86.7 | Confident | 48 Ų | 48 | 35.5 Ų | 35.5 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.4 | -32.4 | 167.9 | -168.3 | -171.7 | -179.7 | -168.4 | 0 | 111.1 | E1186 S1187 D1188 F1193 L1236 V1237 C1241 T1242 F1243 | E1186-K1239 PolarHBondContact O-NZ 3.34Å; S1187-K1239 VanDerWaalsContact C-NZ 3.31Å; S1187-K1239 PolarHBondContact O-NZ 3.1Å; D1188-K1239 VanDerWaalsContact OD1-CE 3.3Å; D1188-K1239 WeakPolarHBondContact OD1-CE 2.98Å; D1188-K1239 IonicContact OD1-NZ 4Å; D1188-K1239 PolarHBondContact OD1-NZ 3.5Å; F1193-K1239 HydrophobicContact CE2-CB 4.03Å; F1193-K1239 HydrophobicContact CE2-CD 4.28Å; F1193-K1239 HydrophobicContact CZ-CB 4.37Å; L1236-K1239 WeakPolarHBondContact O-CB 3.45Å; L1236-K1239 PolarHBondContact O-N 2.86Å; L1236-K1239 VanDerWaalsContact O-N 3.12Å; V1237-K1239 PolarHBondContact O-N 2.87Å; K1239-C1241 PolarHBondContact O-N 3.43Å; K1239-T1242 WeakPolarHBondContact O-CB 3.41Å; K1239-T1242 PolarHBondContact O-N 2.72Å; K1239-T1242 PolarHBondContact O-OG1 2.95Å; K1239-F1243 HydrophobicContact CG-CE2 4.37Å |
| 1240 | G | 88.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -59 | -25.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1237 L1238 T1242 F1243 | V1237-G1240 WeakPolarHBondContact O-CA 3.48Å; V1237-G1240 PolarHBondContact O-N 3.22Å; L1238-G1240 PolarHBondContact O-N 3.08Å; G1240-T1242 PolarHBondContact O-N 3.33Å; G1240-F1243 PolarHBondContact O-N 3.22Å |
| 1241 | C | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -70.4 | -10.9 | 173.7 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | L1238 K1239 Y1247 F1370 I1374 | L1238-C1241 WeakPolarHBondContact O-CB 3.49Å; L1238-C1241 PolarHBondContact O-N 3.14Å; K1239-C1241 PolarHBondContact O-N 3.43Å; C1241-Y1247 VanDerWaalsContact CA-CD2 3.48Å; C1241-Y1247 HydrophobicContact CB-CD2 3.87Å; C1241-Y1247 HydrophobicContact CB-CE2 3.69Å; C1241-Y1247 WeakPolarHBondContact O-CD2 3.5Å; C1241-Y1247 WeakPolarHBondContact O-CE2 3.28Å; C1241-F1370 HydrophobicContact CB-CE2 4.44Å; C1241-F1370 HydrophobicContact CB-CZ 3.88Å; C1241-I1374 HydrophobicContact CB-CD1 4.06Å; C1241-I1374 HydrophobicContact CB-CG1 4.29Å; C1241-I1374 WeakPolarHBondContact O-CG1 3.45Å |
| 1242 | T | 86.2 | Confident | 88.4 | Confident | 10 Ų | 10 | 24.6 Ų | 24.6 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -91.8 | -6.1 | 174 | 70.3 | 0 | 0 | 0 | 0 | 113 | K1239 G1240 F1370 E1373 I1374 R1377 G1378 | K1239-T1242 WeakPolarHBondContact O-CB 3.41Å; K1239-T1242 PolarHBondContact O-N 2.72Å; K1239-T1242 PolarHBondContact O-OG1 2.95Å; G1240-T1242 PolarHBondContact O-N 3.33Å; T1242-F1370 HydrophobicContact CG2-CE2 4.43Å; T1242-E1373 HydrophobicContact CG2-CB 3.92Å; T1242-I1374 HydrophobicContact CG2-CG1 4.18Å; T1242-R1377 CarbonylContact O-C 3.59Å; T1242-R1377 VanDerWaalsContact O-CB 3.32Å; T1242-R1377 WeakPolarHBondContact O-CB 3.34Å; T1242-R1377 VanDerWaalsContact O-O 3.05Å; T1242-G1378 WeakPolarHBondContact O-CA 3.44Å; T1242-G1378 PolarHBondContact O-N 2.73Å |
| 1243 | F | 87.1 | Confident | 88.7 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -102.4 | 136.7 | 179.2 | -67.5 | -51.8 | 0 | 0 | 0 | 110.7 | E1190 F1193 K1239 G1240 A1246 Y1247 | E1190-F1243 HydrophobicContact CB-CD1 4.13Å; E1190-F1243 HydrophobicContact CB-CG 4.34Å; E1190-F1243 HydrophobicContact CG-CB 3.97Å; E1190-F1243 HydrophobicContact CG-CD1 4.38Å; E1190-F1243 HydrophobicContact CG-CG 4.16Å; E1190-F1243 WeakPolarHBondContact OE1-CB 3.37Å; F1193-F1243 HydrophobicContact CB-CD2 4.37Å; F1193-F1243 HydrophobicContact CB-CE2 3.93Å; F1193-F1243 AromaticContact CD1-CD2 3.75Å; F1193-F1243 HydrophobicContact CD1-CD2 3.75Å; F1193-F1243 AromaticContact CD1-CE2 3.93Å; F1193-F1243 HydrophobicContact CD1-CE2 3.93Å; F1193-F1243 HydrophobicContact CD2-CD2 4.43Å; F1193-F1243 AromaticContact CD2-CE2 3.81Å; F1193-F1243 HydrophobicContact CD2-CE2 3.81Å; F1193-F1243 HydrophobicContact CE1-CD2 4.2Å; F1193-F1243 HydrophobicContact CE1-CE2 4.49Å; F1193-F1243 HydrophobicContact CE2-CE2 4.36Å; F1193-F1243 AromaticContact CG-CD2 3.91Å; F1193-F1243 HydrophobicContact CG-CD2 3.91Å; F1193-F1243 AromaticContact CG-CE2 3.59Å; F1193-F1243 HydrophobicContact CG-CE2 3.59Å; K1239-F1243 HydrophobicContact CG-CE2 4.37Å; G1240-F1243 PolarHBondContact O-N 3.22Å; F1243-A1246 HydrophobicContact CB-CB 3.93Å; F1243-Y1247 PolarHBondContact O-N 3.12Å |
| 1244 | S | 84.1 | Confident | 88.8 | Confident | 50 Ų | 50 | 24.4 Ų | 24.4 | 35% | 0.35 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -41.7 | -170.2 | -47.8 | 0 | 0 | 0 | 0 | 113.7 | E1190 G1378 | E1190-S1244 PolarHBondContact OE1-N 3.35Å; S1244-G1378 PolarHBondContact OG-O 3.46Å |
| 1245 | N | 83.3 | Confident | 88.8 | Confident | 107 Ų | 107 | 24.8 Ų | 24.8 | 57% | 0.572 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -25.9 | -179.1 | -54.5 | -61.7 | 0 | 0 | 0 | 112.9 | E1190 | E1190-N1245 VanDerWaalsContact OE1-CA 3.24Å; E1190-N1245 WeakPolarHBondContact OE1-CA 3.28Å; E1190-N1245 WeakPolarHBondContact OE1-CB 3.43Å; E1190-N1245 PolarHBondContact OE1-N 3.04Å; E1190-N1245 PolarHBondContact OE2-ND2 2.98Å |
| 1246 | A | 87.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1190 F1193 F1243 E1248 A1249 A1250 | E1190-A1246 HydrophobicContact CG-CB 4.48Å; E1190-A1246 PolarHBondContact OE1-N 3.42Å; E1190-A1246 VanDerWaalsContact OE1-N 3.15Å; F1193-A1246 HydrophobicContact CD1-CB 4.15Å; F1193-A1246 HydrophobicContact CE1-CB 4.38Å; F1243-A1246 HydrophobicContact CB-CB 3.93Å; A1246-E1248 PolarHBondContact O-N 2.85Å; A1246-A1249 PolarHBondContact O-N 3.41Å; A1246-A1250 WeakPolarHBondContact O-CB 2.97Å; A1246-A1250 PolarHBondContact O-N 3.37Å |
| 1247 | Y | 89.6 | Confident | 88.7 | Confident | 9 Ų | 9 | 23.1 Ų | 23.1 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.4 | -51.9 | -172.9 | -172.3 | -84.5 | 0 | 0 | 0 | 113.8 | C1241 F1243 A1250 V1251 G1280 Y1284 I1374 L1382 | C1241-Y1247 VanDerWaalsContact CA-CD2 3.48Å; C1241-Y1247 HydrophobicContact CB-CD2 3.87Å; C1241-Y1247 HydrophobicContact CB-CE2 3.69Å; C1241-Y1247 WeakPolarHBondContact O-CD2 3.5Å; C1241-Y1247 WeakPolarHBondContact O-CE2 3.28Å; F1243-Y1247 PolarHBondContact O-N 3.12Å; Y1247-A1250 PolarHBondContact O-N 2.95Å; Y1247-V1251 HydrophobicContact CD1-CG2 4.05Å; Y1247-V1251 HydrophobicContact CE1-CG2 3.67Å; Y1247-V1251 WeakPolarHBondContact O-CG2 3.43Å; Y1247-V1251 PolarHBondContact O-N 2.93Å; Y1247-G1280 PolarHBondContact OH-O 2.96Å; Y1247-Y1284 HydrophobicContact CD1-CD2 4.25Å; Y1247-Y1284 AromaticContact CE1-CD2 3.9Å; Y1247-Y1284 HydrophobicContact CE1-CD2 3.9Å; Y1247-Y1284 HydrophobicContact CE1-CG 4.38Å; Y1247-I1374 HydrophobicContact CE2-CG2 4.3Å; Y1247-L1382 HydrophobicContact CD1-CD1 3.79Å; Y1247-L1382 HydrophobicContact CD1-CD2 4.22Å; Y1247-L1382 HydrophobicContact CD2-CD1 3.27Å; Y1247-L1382 HydrophobicContact CE1-CD1 3.86Å; Y1247-L1382 HydrophobicContact CE1-CD2 3.77Å; Y1247-L1382 HydrophobicContact CE1-CG 4.5Å; Y1247-L1382 HydrophobicContact CE2-CD1 3.37Å; Y1247-L1382 HydrophobicContact CE2-CD2 4.44Å; Y1247-L1382 HydrophobicContact CG-CD1 3.51Å |
| 1248 | E | 90 | Very high | 88.5 | Confident | 108 Ų | 108 | 23.1 Ų | 23.1 | 51% | 0.505 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -66.9 | -42 | -175.9 | -178.1 | 167.6 | -154 | 0 | 0 | 112.2 | A1246 A1250 V1251 G1252 Y1284 L1295 | A1246-E1248 PolarHBondContact O-N 2.85Å; E1248-A1250 VanDerWaalsContact C-N 3.3Å; E1248-A1250 PolarHBondContact O-N 3.35Å; E1248-V1251 PolarHBondContact O-N 3.44Å; E1248-G1252 PolarHBondContact O-N 3.3Å; E1248-Y1284 HydrophobicContact CB-CE2 4.35Å; E1248-Y1284 HydrophobicContact CG-CE2 3.98Å; E1248-Y1284 PolarHBondContact OE1-OH 3.34Å; E1248-L1295 HydrophobicContact CG-CD2 3.95Å |
| 1249 | A | 89.1 | Confident | 88.2 | Confident | 31 Ų | 31 | 26 Ų | 26 | 26% | 0.256 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1197 A1246 V1251 G1252 V1253 | L1197-A1249 HydrophobicContact CD2-CB 3.6Å; A1246-A1249 PolarHBondContact O-N 3.41Å; A1249-V1251 VanDerWaalsContact C-N 3.35Å; A1249-V1251 PolarHBondContact O-N 3.32Å; A1249-G1252 WeakPolarHBondContact O-CA 3.36Å; A1249-G1252 PolarHBondContact O-N 3.04Å; A1249-G1252 VanDerWaalsContact O-N 3.15Å; A1249-V1253 PolarHBondContact O-N 2.96Å |
| 1250 | A | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1197 V1237 A1246 Y1247 E1248 V1253 V1254 | L1197-A1250 HydrophobicContact CD2-CB 4.07Å; V1237-A1250 HydrophobicContact CG1-CB 4.36Å; A1246-A1250 WeakPolarHBondContact O-CB 2.97Å; A1246-A1250 PolarHBondContact O-N 3.37Å; Y1247-A1250 PolarHBondContact O-N 2.95Å; E1248-A1250 VanDerWaalsContact C-N 3.3Å; E1248-A1250 PolarHBondContact O-N 3.35Å; A1250-V1253 PolarHBondContact O-N 2.85Å; A1250-V1254 VanDerWaalsContact O-CG2 3.24Å; A1250-V1254 WeakPolarHBondContact O-CG2 3.26Å; A1250-V1254 PolarHBondContact O-N 3.18Å |
| 1251 | V | 90.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 171 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | Y1247 E1248 A1249 V1253 V1254 V1255 I1281 Y1284 L1295 | Y1247-V1251 HydrophobicContact CD1-CG2 4.05Å; Y1247-V1251 HydrophobicContact CE1-CG2 3.67Å; Y1247-V1251 WeakPolarHBondContact O-CG2 3.43Å; Y1247-V1251 PolarHBondContact O-N 2.93Å; E1248-V1251 PolarHBondContact O-N 3.44Å; A1249-V1251 VanDerWaalsContact C-N 3.35Å; A1249-V1251 PolarHBondContact O-N 3.32Å; V1251-V1253 VanDerWaalsContact C-N 3.34Å; V1251-V1253 PolarHBondContact O-N 3.48Å; V1251-V1254 PolarHBondContact O-N 3.36Å; V1251-V1254 VanDerWaalsContact O-N 3.13Å; V1251-V1255 HydrophobicContact CG1-CG2 4.42Å; V1251-V1255 VanDerWaalsContact O-CG2 3.31Å; V1251-V1255 WeakPolarHBondContact O-CG2 3.23Å; V1251-V1255 PolarHBondContact O-N 3.28Å; V1251-I1281 HydrophobicContact CG1-CG1 4.38Å; V1251-Y1284 HydrophobicContact CG1-CD1 4.28Å; V1251-Y1284 HydrophobicContact CG1-CG 4.4Å; V1251-L1295 HydrophobicContact CB-CD2 4.44Å; V1251-L1295 HydrophobicContact CG1-CD2 4.11Å; V1251-L1295 HydrophobicContact CG1-CG 4.26Å |
| 1252 | G | 90.8 | Very high | 86.8 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -49.5 | -50.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1248 A1249 V1255 K1256 | E1248-G1252 PolarHBondContact O-N 3.3Å; A1249-G1252 WeakPolarHBondContact O-CA 3.36Å; A1249-G1252 PolarHBondContact O-N 3.04Å; A1249-G1252 VanDerWaalsContact O-N 3.15Å; G1252-V1255 PolarHBondContact O-N 3.15Å; G1252-K1256 PolarHBondContact O-N 3.11Å |
| 1253 | V | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.4 | -39.6 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | L1197 L1200 E1201 L1204 V1237 A1249 A1250 V1251 V1255 K1256 L1257 | L1197-V1253 HydrophobicContact CD1-CB 3.87Å; L1197-V1253 HydrophobicContact CD1-CG1 4.14Å; L1197-V1253 HydrophobicContact CD1-CG2 3.63Å; L1197-V1253 HydrophobicContact CG-CG2 3.99Å; L1200-V1253 HydrophobicContact CD2-CG1 4.01Å; L1200-V1253 HydrophobicContact CG-CG1 4.4Å; E1201-V1253 HydrophobicContact CB-CG2 3.76Å; E1201-V1253 HydrophobicContact CG-CG2 4.12Å; L1204-V1253 HydrophobicContact CD1-CG1 3.89Å; V1237-V1253 HydrophobicContact CG1-CB 3.99Å; V1237-V1253 HydrophobicContact CG1-CG1 3.95Å; V1237-V1253 HydrophobicContact CG2-CG1 3.95Å; A1249-V1253 PolarHBondContact O-N 2.96Å; A1250-V1253 PolarHBondContact O-N 2.85Å; V1251-V1253 VanDerWaalsContact C-N 3.34Å; V1251-V1253 PolarHBondContact O-N 3.48Å; V1253-V1255 VanDerWaalsContact C-N 3.26Å; V1253-V1255 PolarHBondContact O-N 2.77Å; V1253-K1256 PolarHBondContact O-N 3.22Å; V1253-K1256 VanDerWaalsContact O-N 3.13Å; V1253-L1257 HydrophobicContact CG1-CD1 3.95Å; V1253-L1257 HydrophobicContact CG1-CG 4.21Å; V1253-L1257 WeakPolarHBondContact O-CG 3.14Å; V1253-L1257 PolarHBondContact O-N 3.14Å |
| 1254 | V | 90.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -37.5 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V1237 L1238 A1250 V1251 L1257 M1258 I1281 | V1237-V1254 HydrophobicContact CB-CG2 4.46Å; V1237-V1254 HydrophobicContact CG1-CG2 3.72Å; L1238-V1254 HydrophobicContact CD2-CG2 3.98Å; L1238-V1254 HydrophobicContact CG-CG2 4.17Å; A1250-V1254 VanDerWaalsContact O-CG2 3.24Å; A1250-V1254 WeakPolarHBondContact O-CG2 3.26Å; A1250-V1254 PolarHBondContact O-N 3.18Å; V1251-V1254 PolarHBondContact O-N 3.36Å; V1251-V1254 VanDerWaalsContact O-N 3.13Å; V1254-L1257 PolarHBondContact O-N 3.31Å; V1254-M1258 HydrophobicContact CG1-CE 3.89Å; V1254-M1258 PolarHBondContact O-N 3.31Å; V1254-I1281 HydrophobicContact CG1-CD1 4.01Å; V1254-I1281 HydrophobicContact CG1-CG1 4.35Å |
| 1255 | V | 90 | Very high | 85.1 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.8 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | V1251 G1252 V1253 L1257 M1258 P1259 L1295 S1298 A1299 A1302 | V1251-V1255 HydrophobicContact CG1-CG2 4.42Å; V1251-V1255 VanDerWaalsContact O-CG2 3.31Å; V1251-V1255 WeakPolarHBondContact O-CG2 3.23Å; V1251-V1255 PolarHBondContact O-N 3.28Å; G1252-V1255 PolarHBondContact O-N 3.15Å; V1253-V1255 VanDerWaalsContact C-N 3.26Å; V1253-V1255 PolarHBondContact O-N 2.77Å; V1255-L1257 VanDerWaalsContact C-N 3.3Å; V1255-L1257 PolarHBondContact O-N 3.25Å; V1255-M1258 WeakPolarHBondContact O-CB 3.42Å; V1255-M1258 PolarHBondContact O-N 3.41Å; V1255-P1259 WeakPolarHBondContact O-CD 3.32Å; V1255-L1295 HydrophobicContact CG2-CD1 4.04Å; V1255-S1298 WeakPolarHBondContact CG1-OG 3.36Å; V1255-A1299 VanDerWaalsContact CG2-CA 3.45Å; V1255-A1299 HydrophobicContact CG2-CB 3.35Å; V1255-A1302 HydrophobicContact CG1-CB 3.9Å |
| 1256 | K | 87.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 29.3 Ų | 29.3 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -31.2 | 176.2 | -68.4 | 179.6 | 178 | 176.9 | 0 | 112.8 | E1201 L1204 D1205 G1252 V1253 P1259 | E1201-K1256 HydrophobicContact CG-CD 4.31Å; E1201-K1256 IonicContact OE1-NZ 2.91Å; E1201-K1256 PolarHBondContact OE1-NZ 2.98Å; L1204-K1256 HydrophobicContact CD1-CB 4.1Å; D1205-K1256 WeakPolarHBondContact OD1-CE 3.34Å; D1205-K1256 IonicContact OD1-NZ 2.7Å; D1205-K1256 PolarHBondContact OD1-NZ 2.89Å; D1205-K1256 IonicContact OD2-NZ 2.71Å; D1205-K1256 PolarHBondContact OD2-NZ 3.25Å; G1252-K1256 PolarHBondContact O-N 3.11Å; V1253-K1256 PolarHBondContact O-N 3.22Å; V1253-K1256 VanDerWaalsContact O-N 3.13Å; K1256-P1259 WeakPolarHBondContact O-CD 3.44Å |
| 1257 | L | 88 | Confident | 83.9 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -82 | -19.7 | 177.8 | -67.7 | 178.1 | 0 | 0 | 0 | 113.8 | L1204 I1233 Q1234 V1237 V1253 V1254 V1255 L1260 L1261 V1266 | L1204-L1257 HydrophobicContact CD1-CD2 3.83Å; L1204-L1257 HydrophobicContact CD1-CG 4.14Å; L1204-L1257 HydrophobicContact CD2-CD2 3.99Å; I1233-L1257 HydrophobicContact CG2-CD1 3.98Å; Q1234-L1257 HydrophobicContact CB-CD1 4.35Å; V1237-L1257 HydrophobicContact CG2-CD1 4.06Å; V1253-L1257 HydrophobicContact CG1-CD1 3.95Å; V1253-L1257 HydrophobicContact CG1-CG 4.21Å; V1253-L1257 WeakPolarHBondContact O-CG 3.14Å; V1253-L1257 PolarHBondContact O-N 3.14Å; V1254-L1257 PolarHBondContact O-N 3.31Å; V1255-L1257 VanDerWaalsContact C-N 3.3Å; V1255-L1257 PolarHBondContact O-N 3.25Å; L1257-L1260 CarbonylContact O-C 3.58Å; L1257-L1260 WeakPolarHBondContact O-CA 3.22Å; L1257-L1260 PolarHBondContact O-N 3.01Å; L1257-L1261 PolarHBondContact O-N 3.49Å; L1257-V1266 HydrophobicContact CB-CG1 4.04Å; L1257-V1266 HydrophobicContact CD2-CG1 4.01Å; L1257-V1266 HydrophobicContact CG-CG1 4.42Å |
| 1258 | M | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -56.4 | -43 | -175.1 | -165.4 | 69.7 | 60.8 | 0 | 0 | 113.5 | V1254 V1255 L1260 L1261 L1274 I1281 A1302 V1303 F1306 | V1254-M1258 HydrophobicContact CG1-CE 3.89Å; V1254-M1258 PolarHBondContact O-N 3.31Å; V1255-M1258 WeakPolarHBondContact O-CB 3.42Å; V1255-M1258 PolarHBondContact O-N 3.41Å; M1258-L1260 PolarHBondContact O-N 2.82Å; M1258-L1261 HydrophobicContact CG-CD1 4.35Å; M1258-L1261 VanDerWaalsContact O-CG 3.29Å; M1258-L1261 WeakPolarHBondContact O-CG 3.45Å; M1258-L1261 HydrophobicContact SD-CD1 3.44Å; M1258-L1261 WeakPolarHBondContact SD-CD1 3.44Å; M1258-L1261 HydrophobicContact SD-CG 4.48Å; M1258-L1274 HydrophobicContact SD-CD1 4.04Å; M1258-I1281 HydrophobicContact CE-CD1 3.46Å; M1258-I1281 VanDerWaalsContact CE-CD1 3.46Å; M1258-A1302 HydrophobicContact CB-CB 4.04Å; M1258-A1302 HydrophobicContact CG-CB 4.26Å; M1258-V1303 HydrophobicContact CE-CG2 3.73Å; M1258-V1303 HydrophobicContact CG-CG2 4.27Å; M1258-V1303 HydrophobicContact SD-CG2 4.06Å; M1258-F1306 HydrophobicContact CG-CB 4.07Å; M1258-F1306 WeakPolarHBondContact O-CD2 3.31Å |
| 1259 | P | 82.7 | Confident | 82 | Confident | 63 Ų | 63 | 29.4 Ų | 29.4 | 41% | 0.409 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -67 | -22 | 175.6 | -20.1 | 34.5 | 0 | 0 | 0 | 113.5 | V1255 K1256 | V1255-P1259 WeakPolarHBondContact O-CD 3.32Å; K1256-P1259 WeakPolarHBondContact O-CD 3.44Å |
| 1260 | L | 81.1 | Confident | 81.3 | Confident | 48 Ų | 48 | 30 Ų | 30 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -95.5 | 4.5 | -174.3 | -57.5 | 176.2 | 0 | 0 | 0 | 113.7 | F1209 L1257 M1258 G1262 C1263 V1266 | F1209-L1260 HydrophobicContact CB-CD1 3.98Å; F1209-L1260 HydrophobicContact CB-CD2 3.99Å; F1209-L1260 HydrophobicContact CD1-CD1 4.33Å; F1209-L1260 HydrophobicContact CD2-CD1 4Å; F1209-L1260 HydrophobicContact CG-CD1 3.84Å; L1257-L1260 CarbonylContact O-C 3.58Å; L1257-L1260 WeakPolarHBondContact O-CA 3.22Å; L1257-L1260 PolarHBondContact O-N 3.01Å; M1258-L1260 PolarHBondContact O-N 2.82Å; L1260-G1262 PolarHBondContact O-N 3.12Å; L1260-C1263 VanDerWaalsContact O-CB 3.26Å; L1260-C1263 WeakPolarHBondContact O-CB 3.22Å; L1260-C1263 PolarHBondContact O-N 3.22Å; L1260-V1266 HydrophobicContact CB-CG1 4.39Å; L1260-V1266 HydrophobicContact CB-CG2 4.06Å |
| 1261 | L | 81.4 | Confident | 80.4 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.9 | -177.5 | -70 | 175.3 | 0 | 0 | 0 | 114.8 | Q1234 L1257 M1258 C1263 V1266 F1306 | Q1234-L1261 HydrophobicContact CB-CD2 4.42Å; Q1234-L1261 HydrophobicContact CG-CD2 4.21Å; L1257-L1261 PolarHBondContact O-N 3.49Å; M1258-L1261 HydrophobicContact CG-CD1 4.35Å; M1258-L1261 VanDerWaalsContact O-CG 3.29Å; M1258-L1261 WeakPolarHBondContact O-CG 3.45Å; M1258-L1261 HydrophobicContact SD-CD1 3.44Å; M1258-L1261 WeakPolarHBondContact SD-CD1 3.44Å; M1258-L1261 HydrophobicContact SD-CG 4.48Å; L1261-C1263 PolarHBondContact O-N 3.05Å; L1261-V1266 HydrophobicContact CD2-CG1 4.4Å; L1261-F1306 HydrophobicContact CB-CD2 4.34Å; L1261-F1306 HydrophobicContact CB-CE1 4.42Å; L1261-F1306 HydrophobicContact CB-CE2 3.55Å; L1261-F1306 HydrophobicContact CB-CZ 3.57Å; L1261-F1306 HydrophobicContact CD1-CD1 4.19Å; L1261-F1306 HydrophobicContact CD1-CD2 4.42Å; L1261-F1306 HydrophobicContact CD1-CE1 3.89Å; L1261-F1306 HydrophobicContact CD1-CE2 4.18Å; L1261-F1306 HydrophobicContact CD1-CG 4.41Å; L1261-F1306 HydrophobicContact CD1-CZ 3.87Å; L1261-F1306 HydrophobicContact CG-CE2 4.34Å; L1261-F1306 HydrophobicContact CG-CZ 4.33Å |
| 1262 | G | 71.7 | Confident | 79.9 | Confident | 57 Ų | 57 | 33.5 Ų | 33.5 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1260 | L1260-G1262 PolarHBondContact O-N 3.12Š|
| 1263 | C | 76.5 | Confident | 79.5 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -80.9 | 124.7 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | L1260 L1261 I1265 V1266 G1267 | L1260-C1263 VanDerWaalsContact O-CB 3.26Å; L1260-C1263 WeakPolarHBondContact O-CB 3.22Å; L1260-C1263 PolarHBondContact O-N 3.22Å; L1261-C1263 PolarHBondContact O-N 3.05Å; C1263-I1265 PolarHBondContact O-N 3.23Å; C1263-V1266 HydrophobicContact CB-CB 4.29Å; C1263-V1266 HydrophobicContact CB-CG2 3.98Å; C1263-V1266 PolarHBondContact O-N 3.45Å; C1263-G1267 PolarHBondContact O-N 3.3Å; C1263-G1267 VanDerWaalsContact O-N 3.15Å |
| 1264 | Q | 70.3 | Confident | 79.3 | Confident | 165 Ų | 165 | 33.2 Ų | 33.2 | 77% | 0.771 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.3 | 179.6 | -71.9 | -175.6 | 7.6 | 0 | 0 | 113.7 | ||
| 1265 | I | 76.7 | Confident | 79.2 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -36.5 | 177.3 | -47.6 | 178.3 | 0 | 0 | 0 | 110.8 | W1179 L1218 T1219 V1222 F1230 G1232 I1233 C1263 | W1179-I1265 HydrophobicContact CH2-CG2 3.79Å; W1179-I1265 HydrophobicContact CZ2-CG2 4.25Å; L1218-I1265 HydrophobicContact CB-CD1 3.5Å; L1218-I1265 VanDerWaalsContact CB-CD1 3.5Å; T1219-I1265 WeakPolarHBondContact OG1-CD1 3.39Å; V1222-I1265 HydrophobicContact CG2-CG2 4.46Å; F1230-I1265 HydrophobicContact CE1-CG2 4.15Å; F1230-I1265 VanDerWaalsContact CE1-O 3.26Å; F1230-I1265 WeakPolarHBondContact CE1-O 3.49Å; G1232-I1265 WeakPolarHBondContact CA-O 3.37Å; I1233-I1265 HydrophobicContact CD1-CG2 3.87Å; I1233-I1265 HydrophobicContact CG1-CG2 4.27Å; I1233-I1265 PolarHBondContact N-O 3.2Å; C1263-I1265 PolarHBondContact O-N 3.23Å |
| 1266 | V | 77.9 | Confident | 79.1 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -42.7 | -175.4 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | G1232 I1233 Q1234 L1257 L1260 L1261 C1263 | G1232-V1266 CarbonylContact C-O 3.44Å; I1233-V1266 PolarHBondContact N-O 2.79Å; Q1234-V1266 HydrophobicContact CB-CG1 4.37Å; Q1234-V1266 VanDerWaalsContact CB-O 3.31Å; Q1234-V1266 WeakPolarHBondContact CB-O 3.44Å; Q1234-V1266 PolarHBondContact N-O 3.2Å; L1257-V1266 HydrophobicContact CB-CG1 4.04Å; L1257-V1266 HydrophobicContact CD2-CG1 4.01Å; L1257-V1266 HydrophobicContact CG-CG1 4.42Å; L1260-V1266 HydrophobicContact CB-CG1 4.39Å; L1260-V1266 HydrophobicContact CB-CG2 4.06Å; L1261-V1266 HydrophobicContact CD2-CG1 4.4Å; C1263-V1266 HydrophobicContact CB-CB 4.29Å; C1263-V1266 HydrophobicContact CB-CG2 3.98Å; C1263-V1266 PolarHBondContact O-N 3.45Å |
| 1267 | G | 67.8 | Low | 79.2 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | trans | -137.5 | 131.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1263 S1269 | C1263-G1267 PolarHBondContact O-N 3.3Å; C1263-G1267 VanDerWaalsContact O-N 3.15Å; G1267-S1269 PolarHBondContact O-N 3.26Å | ||
| 1268 | A | 66.2 | Low | 79.3 | Confident | 68 Ų | 68 | 30 Ų | 30 | 56% | 0.562 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -59.8 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1269 | S | 73.7 | Confident | 79.4 | Confident | 44 Ų | 44 | 30.1 Ų | 30.1 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | trans | -146.5 | 142.1 | 165.8 | 76.8 | 0 | 0 | 0 | 0 | 110.7 | G1267 S1271 S1272 G1273 | G1267-S1269 PolarHBondContact O-N 3.26Å; S1269-S1271 PolarHBondContact O-N 3.05Å; S1269-S1271 PolarHBondContact OG-OG 2.96Å; S1269-S1272 PolarHBondContact O-N 2.99Å; S1269-S1272 PolarHBondContact O-OG 3.07Å; S1269-S1272 VanDerWaalsContact O-OG 3.05Å; S1269-S1272 VanDerWaalsContact OG-CB 3.27Å; S1269-S1272 WeakPolarHBondContact OG-CB 3.32Å; S1269-S1272 PolarHBondContact OG-N 3.31Å; S1269-S1272 PolarHBondContact OG-OG 3.36Å; S1269-G1273 PolarHBondContact O-N 3.32Å | ||
| 1270 | V | 73.4 | Confident | 79.8 | Confident | 45 Ų | 45 | 27.1 Ų | 27.1 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -52.1 | -40.4 | 174 | 165 | 0 | 0 | 0 | 0 | 111.6 | L1274 F1306 Q1310 | V1270-L1274 WeakPolarHBondContact O-CB 3.2Å; V1270-L1274 PolarHBondContact O-N 2.8Å; V1270-F1306 HydrophobicContact CG1-CE1 4.18Å; V1270-F1306 HydrophobicContact CG1-CZ 3.8Å; V1270-Q1310 HydrophobicContact CG1-CG 4.45Å |
| 1271 | S | 74.1 | Confident | 80.3 | Confident | 48 Ų | 48 | 25.1 Ų | 25.1 | 34% | 0.336 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.6 | -44.8 | -179 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | S1269 A1275 | S1269-S1271 PolarHBondContact O-N 3.05Å; S1269-S1271 PolarHBondContact OG-OG 2.96Å; S1271-A1275 WeakPolarHBondContact O-CB 3.49Å; S1271-A1275 PolarHBondContact O-N 3.44Å |
| 1272 | S | 79.6 | Confident | 80.8 | Confident | 26 Ų | 26 | 25.1 Ų | 25.1 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.5 | -40.4 | 177.8 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | S1269 A1275 F1276 | S1269-S1272 PolarHBondContact O-N 2.99Å; S1269-S1272 PolarHBondContact O-OG 3.07Å; S1269-S1272 VanDerWaalsContact O-OG 3.05Å; S1269-S1272 VanDerWaalsContact OG-CB 3.27Å; S1269-S1272 WeakPolarHBondContact OG-CB 3.32Å; S1269-S1272 PolarHBondContact OG-N 3.31Å; S1269-S1272 PolarHBondContact OG-OG 3.36Å; S1272-A1275 PolarHBondContact O-N 2.59Å; S1272-F1276 VanDerWaalsContact O-CD2 3.23Å; S1272-F1276 WeakPolarHBondContact O-CD2 3.34Å; S1272-F1276 PolarHBondContact O-N 3.31Å |
| 1273 | G | 82.4 | Confident | 81.8 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1234 S1269 G1277 | Q1234-G1273 PolarHBondContact NE2-O 2.72Å; Q1234-G1273 PolarHBondContact OE1-O 2.7Å; S1269-G1273 PolarHBondContact O-N 3.32Å; G1273-G1277 WeakPolarHBondContact O-CA 3.3Å; G1273-G1277 PolarHBondContact O-N 3.42Å |
| 1274 | L | 86.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 175.5 | -174.1 | 63.2 | 0 | 0 | 0 | 111.7 | M1258 V1270 F1276 G1277 V1278 V1303 F1306 L1326 Y1360 | M1258-L1274 HydrophobicContact SD-CD1 4.04Å; V1270-L1274 WeakPolarHBondContact O-CB 3.2Å; V1270-L1274 PolarHBondContact O-N 2.8Å; L1274-F1276 PolarHBondContact O-N 3.39Å; L1274-G1277 PolarHBondContact O-N 3.15Å; L1274-V1278 HydrophobicContact CD1-CG2 3.83Å; L1274-V1278 HydrophobicContact CG-CG2 4.3Å; L1274-V1278 WeakPolarHBondContact O-CB 3.14Å; L1274-V1278 VanDerWaalsContact O-CG2 3.27Å; L1274-V1278 WeakPolarHBondContact O-CG2 3.15Å; L1274-V1278 PolarHBondContact O-N 3.39Å; L1274-V1303 HydrophobicContact CD1-CG1 4.35Å; L1274-F1306 HydrophobicContact CB-CE1 4.22Å; L1274-F1306 HydrophobicContact CD1-CD1 3.75Å; L1274-F1306 HydrophobicContact CD1-CE1 4.1Å; L1274-F1306 HydrophobicContact CD2-CD1 4.33Å; L1274-F1306 HydrophobicContact CD2-CE1 4.21Å; L1274-F1306 HydrophobicContact CG-CD1 4.49Å; L1274-F1306 HydrophobicContact CG-CE1 4.41Å; L1274-L1326 HydrophobicContact CD2-CD2 3.78Å; L1274-Y1360 HydrophobicContact CB-CE2 4.46Å; L1274-Y1360 HydrophobicContact CD2-CE2 4.2Å |
| 1275 | A | 87.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.8 | -50.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1271 S1272 T1279 Y1360 M1363 | S1271-A1275 WeakPolarHBondContact O-CB 3.49Å; S1271-A1275 PolarHBondContact O-N 3.44Å; S1272-A1275 PolarHBondContact O-N 2.59Å; A1275-T1279 WeakPolarHBondContact O-CB 3.17Å; A1275-T1279 PolarHBondContact O-N 3.38Å; A1275-T1279 PolarHBondContact O-OG1 3.17Å; A1275-Y1360 HydrophobicContact CB-CD2 3.89Å; A1275-Y1360 HydrophobicContact CB-CE2 4.5Å; A1275-Y1360 HydrophobicContact CB-CG 4.45Å; A1275-M1363 HydrophobicContact CB-CB 4.45Å |
| 1276 | F | 88.9 | Confident | 84 | Confident | 19 Ų | 19 | 14.1 Ų | 14.1 | 8% | 0.083 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75.1 | -35.1 | 179.8 | -71.3 | -69 | 0 | 0 | 0 | 113 | L1238 S1272 L1274 T1279 G1280 G1366 F1370 | L1238-F1276 HydrophobicContact CD1-CB 3.64Å; S1272-F1276 VanDerWaalsContact O-CD2 3.23Å; S1272-F1276 WeakPolarHBondContact O-CD2 3.34Å; S1272-F1276 PolarHBondContact O-N 3.31Å; L1274-F1276 PolarHBondContact O-N 3.39Å; F1276-T1279 PolarHBondContact O-N 3.05Å; F1276-G1280 PolarHBondContact O-N 3.4Å; F1276-G1366 VanDerWaalsContact CE1-C 3.46Å; F1276-G1366 WeakPolarHBondContact CE1-O 3.44Å; F1276-F1370 HydrophobicContact CD1-CB 4.17Å; F1276-F1370 HydrophobicContact CD1-CD1 4.14Å; F1276-F1370 HydrophobicContact CD1-CG 4.28Å; F1276-F1370 HydrophobicContact CE1-CB 4.07Å |
| 1277 | G | 88.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.9 | -51 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1273 L1274 T1279 G1280 I1281 | G1273-G1277 WeakPolarHBondContact O-CA 3.3Å; G1273-G1277 PolarHBondContact O-N 3.42Å; L1274-G1277 PolarHBondContact O-N 3.15Å; G1277-T1279 VanDerWaalsContact C-N 3.34Å; G1277-T1279 PolarHBondContact O-N 3.48Å; G1277-G1280 PolarHBondContact O-N 3.06Å; G1277-I1281 VanDerWaalsContact O-CG1 3.31Å; G1277-I1281 WeakPolarHBondContact O-CG1 3.28Å; G1277-I1281 PolarHBondContact O-N 3.11Å |
| 1278 | V | 90.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | L1274 G1280 I1281 L1282 V1303 M1333 I1352 L1356 | L1274-V1278 HydrophobicContact CD1-CG2 3.83Å; L1274-V1278 HydrophobicContact CG-CG2 4.3Å; L1274-V1278 WeakPolarHBondContact O-CB 3.14Å; L1274-V1278 VanDerWaalsContact O-CG2 3.27Å; L1274-V1278 WeakPolarHBondContact O-CG2 3.15Å; L1274-V1278 PolarHBondContact O-N 3.39Å; V1278-G1280 VanDerWaalsContact C-N 3.29Å; V1278-G1280 PolarHBondContact O-N 3.01Å; V1278-I1281 PolarHBondContact O-N 3.17Å; V1278-L1282 WeakPolarHBondContact O-CB 3.37Å; V1278-L1282 PolarHBondContact O-N 2.99Å; V1278-V1303 HydrophobicContact CG2-CG1 3.74Å; V1278-V1303 HydrophobicContact CG2-CG2 4.01Å; V1278-M1333 HydrophobicContact CG1-CE 3.66Å; V1278-I1352 HydrophobicContact CG1-CG2 4.07Å; V1278-L1356 HydrophobicContact CB-CD1 4.04Å; V1278-L1356 HydrophobicContact CB-CD2 4.2Å; V1278-L1356 HydrophobicContact CG1-CD1 3.71Å; V1278-L1356 HydrophobicContact CG1-CD2 4.36Å; V1278-L1356 HydrophobicContact CG1-CG 4.44Å; V1278-L1356 HydrophobicContact CG2-CD2 4.45Å |
| 1279 | T | 90.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | A1275 F1276 G1277 P1283 M1367 F1370 L1371 | A1275-T1279 WeakPolarHBondContact O-CB 3.17Å; A1275-T1279 PolarHBondContact O-N 3.38Å; A1275-T1279 PolarHBondContact O-OG1 3.17Å; F1276-T1279 PolarHBondContact O-N 3.05Å; G1277-T1279 VanDerWaalsContact C-N 3.34Å; G1277-T1279 PolarHBondContact O-N 3.48Å; T1279-P1283 WeakPolarHBondContact O-CD 3.28Å; T1279-M1367 HydrophobicContact CG2-CB 4.27Å; T1279-M1367 VanDerWaalsContact OG1-CE 3.23Å; T1279-M1367 WeakPolarHBondContact OG1-CE 3.3Å; T1279-F1370 HydrophobicContact CG2-CD1 3.94Å; T1279-L1371 HydrophobicContact CG2-CD1 3.92Å; T1279-L1371 HydrophobicContact CG2-CD2 3.75Å; T1279-L1371 HydrophobicContact CG2-CG 3.62Å |
| 1280 | G | 89.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -78.4 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y1247 F1276 G1277 V1278 | Y1247-G1280 PolarHBondContact OH-O 2.96Å; F1276-G1280 PolarHBondContact O-N 3.4Å; G1277-G1280 PolarHBondContact O-N 3.06Å; V1278-G1280 VanDerWaalsContact C-N 3.29Å; V1278-G1280 PolarHBondContact O-N 3.01Å |
| 1281 | I | 92.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.6 | -34 | 177.1 | -69.9 | 166.1 | 0 | 0 | 0 | 111.6 | V1251 V1254 M1258 G1277 V1278 Y1284 A1285 A1299 V1303 | V1251-I1281 HydrophobicContact CG1-CG1 4.38Å; V1254-I1281 HydrophobicContact CG1-CD1 4.01Å; V1254-I1281 HydrophobicContact CG1-CG1 4.35Å; M1258-I1281 HydrophobicContact CE-CD1 3.46Å; M1258-I1281 VanDerWaalsContact CE-CD1 3.46Å; G1277-I1281 VanDerWaalsContact O-CG1 3.31Å; G1277-I1281 WeakPolarHBondContact O-CG1 3.28Å; G1277-I1281 PolarHBondContact O-N 3.11Å; V1278-I1281 PolarHBondContact O-N 3.17Å; I1281-Y1284 WeakPolarHBondContact O-CB 3.32Å; I1281-Y1284 PolarHBondContact O-N 3.3Å; I1281-Y1284 VanDerWaalsContact O-N 3.12Å; I1281-A1285 PolarHBondContact O-N 2.97Å; I1281-A1299 HydrophobicContact CD1-CB 4.31Å; I1281-A1299 HydrophobicContact CG1-CB 4.48Å; I1281-A1299 HydrophobicContact CG2-CB 3.68Å; I1281-V1303 HydrophobicContact CD1-CG2 4.01Å |
| 1282 | L | 92.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | -170.1 | -174.5 | 64.6 | 0 | 0 | 0 | 113.8 | V1278 Y1284 A1285 I1286 W1348 T1349 I1352 V1353 V1389 | V1278-L1282 WeakPolarHBondContact O-CB 3.37Å; V1278-L1282 PolarHBondContact O-N 2.99Å; L1282-Y1284 VanDerWaalsContact C-N 3.29Å; L1282-Y1284 PolarHBondContact O-N 3.12Å; L1282-A1285 PolarHBondContact O-N 3.06Å; L1282-I1286 HydrophobicContact CD1-CD1 4.38Å; L1282-I1286 HydrophobicContact CD1-CG1 4.49Å; L1282-I1286 HydrophobicContact CG-CD1 4Å; L1282-I1286 VanDerWaalsContact O-CG1 3.26Å; L1282-I1286 WeakPolarHBondContact O-CG1 3.49Å; L1282-I1286 PolarHBondContact O-N 3.44Å; L1282-W1348 HydrophobicContact CD1-CE3 4.27Å; L1282-W1348 HydrophobicContact CD1-CH2 3.83Å; L1282-W1348 HydrophobicContact CD1-CZ3 3.49Å; L1282-W1348 VanDerWaalsContact CD1-CZ3 3.49Å; L1282-T1349 HydrophobicContact CD2-CG2 4.26Å; L1282-I1352 HydrophobicContact CD1-CD1 3.83Å; L1282-I1352 HydrophobicContact CD1-CG2 4.22Å; L1282-I1352 HydrophobicContact CD2-CG2 4.2Å; L1282-V1353 HydrophobicContact CD2-CG2 4.05Å; L1282-V1389 HydrophobicContact CD2-CB 4.5Å; L1282-V1389 HydrophobicContact CD2-CG1 3.87Å; L1282-V1389 HydrophobicContact CD2-CG2 3.73Å; L1282-V1389 HydrophobicContact CG-CG2 3.89Å |
| 1283 | P | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59 | -38 | 174.5 | -22.5 | 31.8 | 0 | 0 | 0 | 113.2 | T1279 I1286 I1287 L1371 L1382 A1385 V1386 | T1279-P1283 WeakPolarHBondContact O-CD 3.28Å; P1283-I1286 PolarHBondContact O-N 3.48Å; P1283-I1287 WeakPolarHBondContact O-CD1 3.44Å; P1283-I1287 WeakPolarHBondContact O-CG1 3.38Å; P1283-I1287 PolarHBondContact O-N 2.89Å; P1283-L1371 HydrophobicContact CG-CD2 4.31Å; P1283-L1382 HydrophobicContact CB-CD2 4.48Å; P1283-A1385 HydrophobicContact CB-CB 4.15Å; P1283-V1386 HydrophobicContact CB-CG2 3.89Å; P1283-V1386 HydrophobicContact CG-CG2 3.95Å |
| 1284 | Y | 90.6 | Very high | 88 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 176.2 | -167.7 | -101.3 | 0 | 0 | 0 | 111.7 | Y1247 E1248 V1251 I1281 L1282 I1286 I1287 H1288 N1293 L1295 A1296 | Y1247-Y1284 HydrophobicContact CD1-CD2 4.25Å; Y1247-Y1284 AromaticContact CE1-CD2 3.9Å; Y1247-Y1284 HydrophobicContact CE1-CD2 3.9Å; Y1247-Y1284 HydrophobicContact CE1-CG 4.38Å; E1248-Y1284 HydrophobicContact CB-CE2 4.35Å; E1248-Y1284 HydrophobicContact CG-CE2 3.98Å; E1248-Y1284 PolarHBondContact OE1-OH 3.34Å; V1251-Y1284 HydrophobicContact CG1-CD1 4.28Å; V1251-Y1284 HydrophobicContact CG1-CG 4.4Å; I1281-Y1284 WeakPolarHBondContact O-CB 3.32Å; I1281-Y1284 PolarHBondContact O-N 3.3Å; I1281-Y1284 VanDerWaalsContact O-N 3.12Å; L1282-Y1284 VanDerWaalsContact C-N 3.29Å; L1282-Y1284 PolarHBondContact O-N 3.12Å; Y1284-I1286 VanDerWaalsContact C-N 3.28Å; Y1284-I1286 PolarHBondContact O-N 2.98Å; Y1284-I1287 PolarHBondContact O-N 3.29Å; Y1284-H1288 AromaticContact CE1-CD2 3.86Å; Y1284-H1288 AromaticContact CE2-CD2 3.98Å; Y1284-H1288 AromaticContact CE2-NE2 3.88Å; Y1284-H1288 AromaticContact CZ-CD2 3.81Å; Y1284-H1288 AromaticContact CZ-NE2 3.89Å; Y1284-H1288 PolarHBondContact O-CD2 3.24Å; Y1284-H1288 PolarHBondContact O-N 2.66Å; Y1284-N1293 PolarHBondContact OH-ND2 3.14Å; Y1284-L1295 HydrophobicContact CE1-CB 4.11Å; Y1284-L1295 HydrophobicContact CE1-CD2 4.03Å; Y1284-L1295 HydrophobicContact CE1-CG 3.98Å; Y1284-A1296 HydrophobicContact CD1-CB 4.12Å; Y1284-A1296 HydrophobicContact CE1-CB 4.05Å |
| 1285 | A | 88.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -29.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1281 L1282 H1288 Y1289 Y1336 W1348 | I1281-A1285 PolarHBondContact O-N 2.97Å; L1282-A1285 PolarHBondContact O-N 3.06Å; A1285-H1288 CarbonylContact O-C 3.44Å; A1285-Y1289 VanDerWaalsContact O-CA 3.32Å; A1285-Y1289 WeakPolarHBondContact O-CA 2.95Å; A1285-Y1289 WeakPolarHBondContact O-CB 3.31Å; A1285-Y1289 PolarHBondContact O-N 3.44Å; A1285-Y1336 PolarHBondContact O-OH 3.3Å; A1285-W1348 HydrophobicContact CB-CH2 3.76Å; A1285-W1348 HydrophobicContact CB-CZ3 4.19Å |
| 1286 | I | 89.6 | Confident | 88 | Confident | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.087 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.9 | -42.8 | 176 | -73 | 166.8 | 0 | 0 | 0 | 111.3 | L1282 P1283 Y1284 H1288 Y1289 W1348 T1349 A1385 V1389 | L1282-I1286 HydrophobicContact CD1-CD1 4.38Å; L1282-I1286 HydrophobicContact CD1-CG1 4.49Å; L1282-I1286 HydrophobicContact CG-CD1 4Å; L1282-I1286 VanDerWaalsContact O-CG1 3.26Å; L1282-I1286 WeakPolarHBondContact O-CG1 3.49Å; L1282-I1286 PolarHBondContact O-N 3.44Å; P1283-I1286 PolarHBondContact O-N 3.48Å; Y1284-I1286 VanDerWaalsContact C-N 3.28Å; Y1284-I1286 PolarHBondContact O-N 2.98Å; I1286-H1288 VanDerWaalsContact C-N 3.33Å; I1286-Y1289 WeakPolarHBondContact O-CB 3.32Å; I1286-Y1289 PolarHBondContact O-N 2.9Å; I1286-W1348 HydrophobicContact CG1-CZ3 4.16Å; I1286-T1349 HydrophobicContact CD1-CG2 3.84Å; I1286-A1385 HydrophobicContact CB-CB 3.91Å; I1286-A1385 HydrophobicContact CG2-CB 3.56Å; I1286-V1389 HydrophobicContact CD1-CG2 3.4Å |
| 1287 | I | 89.1 | Confident | 88 | Confident | 74 Ų | 74 | 42 Ų | 42 | 38% | 0.379 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.7 | -36.7 | -179.3 | -66.7 | 159.4 | 0 | 0 | 0 | 110.8 | P1283 Y1284 Y1289 L1382 A1385 | P1283-I1287 WeakPolarHBondContact O-CD1 3.44Å; P1283-I1287 WeakPolarHBondContact O-CG1 3.38Å; P1283-I1287 PolarHBondContact O-N 2.89Å; Y1284-I1287 PolarHBondContact O-N 3.29Å; I1287-Y1289 VanDerWaalsContact C-N 3.29Å; I1287-Y1289 PolarHBondContact O-N 3.44Å; I1287-L1382 HydrophobicContact CD1-CB 4.26Å; I1287-L1382 HydrophobicContact CD1-CD2 3.15Å; I1287-L1382 HydrophobicContact CD1-CG 4.03Å; I1287-A1385 HydrophobicContact CD1-CB 4.03Å; I1287-A1385 HydrophobicContact CG1-CB 3.77Å |
| 1288 | H | 87.3 | Confident | 88 | Confident | 55 Ų | 55 | 44.8 Ų | 44.8 | 26% | 0.255 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 19.4 | 174.5 | -65 | -68.7 | 0 | 0 | 0 | 113.2 | Y1284 A1285 I1286 E1290 Q1291 P1292 A1296 Y1336 | Y1284-H1288 AromaticContact CE1-CD2 3.86Å; Y1284-H1288 AromaticContact CE2-CD2 3.98Å; Y1284-H1288 AromaticContact CE2-NE2 3.88Å; Y1284-H1288 AromaticContact CZ-CD2 3.81Å; Y1284-H1288 AromaticContact CZ-NE2 3.89Å; Y1284-H1288 PolarHBondContact O-CD2 3.24Å; Y1284-H1288 PolarHBondContact O-N 2.66Å; A1285-H1288 CarbonylContact O-C 3.44Å; I1286-H1288 VanDerWaalsContact C-N 3.33Å; H1288-E1290 PolarHBondContact O-N 3.29Å; H1288-Q1291 CarbonylContact O-C 3.37Å; H1288-Q1291 PolarHBondContact O-N 3.46Å; H1288-P1292 WeakPolarHBondContact O-CA 2.97Å; H1288-A1296 HydrophobicContact CB-CB 4.38Å; H1288-Y1336 PolarHBondContact O-OH 2.81Å; H1288-Y1336 VanDerWaalsContact O-OH 3.12Å |
| 1289 | Y | 85.2 | Confident | 87.9 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -64.6 | -43.3 | -172.7 | -172.6 | -87.8 | 0 | 0 | 0 | 113.3 | A1285 I1286 I1287 Y1336 F1341 K1343 C1345 W1348 | A1285-Y1289 VanDerWaalsContact O-CA 3.32Å; A1285-Y1289 WeakPolarHBondContact O-CA 2.95Å; A1285-Y1289 WeakPolarHBondContact O-CB 3.31Å; A1285-Y1289 PolarHBondContact O-N 3.44Å; I1286-Y1289 WeakPolarHBondContact O-CB 3.32Å; I1286-Y1289 PolarHBondContact O-N 2.9Å; I1287-Y1289 VanDerWaalsContact C-N 3.29Å; I1287-Y1289 PolarHBondContact O-N 3.44Å; Y1289-Y1336 AromaticContact CD2-CD2 3.99Å; Y1289-Y1336 HydrophobicContact CD2-CD2 3.99Å; Y1289-Y1336 AromaticContact CD2-CE2 3.52Å; Y1289-Y1336 HydrophobicContact CD2-CE2 3.52Å; Y1289-Y1336 HydrophobicContact CE2-CD2 4.01Å; Y1289-Y1336 HydrophobicContact CE2-CE2 4.02Å; Y1289-Y1336 HydrophobicContact CG-CE2 4.2Å; Y1289-F1341 WeakPolarHBondContact OH-CD1 3.42Å; Y1289-K1343 PolarHBondContact OH-O 3.06Å; Y1289-C1345 HydrophobicContact CD1-CB 3.73Å; Y1289-C1345 HydrophobicContact CD2-CB 4.07Å; Y1289-C1345 HydrophobicContact CE1-CB 3.88Å; Y1289-C1345 HydrophobicContact CE2-CB 4.24Å; Y1289-C1345 HydrophobicContact CG-CB 3.83Å; Y1289-W1348 HydrophobicContact CD2-CD2 4.25Å; Y1289-W1348 AromaticContact CD2-CE3 3.9Å; Y1289-W1348 HydrophobicContact CD2-CE3 3.9Å; Y1289-W1348 HydrophobicContact CD2-CZ3 4.27Å; Y1289-W1348 HydrophobicContact CE2-CB 3.84Å; Y1289-W1348 AromaticContact CE2-CD2 3.64Å; Y1289-W1348 HydrophobicContact CE2-CD2 3.64Å; Y1289-W1348 AromaticContact CE2-CE3 3.73Å; Y1289-W1348 HydrophobicContact CE2-CE3 3.73Å; Y1289-W1348 AromaticContact CE2-CG 3.71Å; Y1289-W1348 HydrophobicContact CE2-CG 3.71Å; Y1289-W1348 HydrophobicContact CE2-CZ3 4.47Å |
| 1290 | E | 81.1 | Confident | 87.8 | Confident | 185 Ų | 185 | 44.8 Ų | 44.8 | 86% | 0.864 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -74.8 | -36.5 | 179.3 | -63.5 | -164.9 | 169.2 | 0 | 0 | 112.4 | H1288 | H1288-E1290 PolarHBondContact O-N 3.29Š|
| 1291 | Q | 81.1 | Confident | 87.8 | Confident | 165 Ų | 165 | 47.3 Ų | 47.3 | 77% | 0.771 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -127.9 | 80.6 | 178.7 | -64.3 | -171.2 | 11.1 | 0 | 0 | 110.6 | H1288 N1293 | H1288-Q1291 CarbonylContact O-C 3.37Å; H1288-Q1291 PolarHBondContact O-N 3.46Å; Q1291-N1293 PolarHBondContact O-N 3.29Å |
| 1292 | P | 82.5 | Confident | 87.6 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | trans | -68.1 | 124.4 | -175.3 | 24.6 | -32.9 | 0 | 0 | 0 | 110.9 | H1288 L1297 Y1336 | H1288-P1292 WeakPolarHBondContact O-CA 2.97Å; P1292-L1297 HydrophobicContact CB-CD2 3.96Å; P1292-L1297 HydrophobicContact CB-CG 4.12Å; P1292-L1297 HydrophobicContact CG-CD2 4.23Å; P1292-Y1336 HydrophobicContact CB-CE1 3.9Å | ||
| 1293 | N | 85.9 | Confident | 87.5 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | trans | -81.1 | 169.2 | 174.6 | 69.1 | 10.9 | 0 | 0 | 0 | 111.4 | Y1284 Q1291 L1295 A1296 L1297 | Y1284-N1293 PolarHBondContact OH-ND2 3.14Å; Q1291-N1293 PolarHBondContact O-N 3.29Å; N1293-L1295 PolarHBondContact O-N 2.98Å; N1293-L1295 PolarHBondContact OD1-N 3.02Å; N1293-A1296 PolarHBondContact O-N 3.41Å; N1293-A1296 WeakPolarHBondContact OD1-CB 3.48Å; N1293-A1296 PolarHBondContact OD1-N 2.87Å; N1293-L1297 WeakPolarHBondContact O-CG 3.17Å; N1293-L1297 PolarHBondContact O-N 2.71Å; N1293-L1297 VanDerWaalsContact O-N 3.08Å | ||
| 1294 | K | 86.7 | Confident | 87.2 | Confident | 191 Ų | 191 | 47.4 Ų | 47.4 | 83% | 0.83 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57.6 | -37.9 | -177.4 | -70.3 | -176.1 | -179.8 | 178.3 | 0 | 112.4 | S1298 | K1294-S1298 WeakPolarHBondContact O-CB 3.28Å; K1294-S1298 PolarHBondContact O-N 3.31Å |
| 1295 | L | 88.4 | Confident | 87.1 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 180 | -179.9 | 56.9 | 0 | 0 | 0 | 111.8 | E1248 V1251 V1255 Y1284 N1293 L1297 S1298 A1299 | E1248-L1295 HydrophobicContact CG-CD2 3.95Å; V1251-L1295 HydrophobicContact CB-CD2 4.44Å; V1251-L1295 HydrophobicContact CG1-CD2 4.11Å; V1251-L1295 HydrophobicContact CG1-CG 4.26Å; V1255-L1295 HydrophobicContact CG2-CD1 4.04Å; Y1284-L1295 HydrophobicContact CE1-CB 4.11Å; Y1284-L1295 HydrophobicContact CE1-CD2 4.03Å; Y1284-L1295 HydrophobicContact CE1-CG 3.98Å; N1293-L1295 PolarHBondContact O-N 2.98Å; N1293-L1295 PolarHBondContact OD1-N 3.02Å; L1295-L1297 VanDerWaalsContact C-N 3.33Å; L1295-L1297 PolarHBondContact O-N 2.9Å; L1295-S1298 PolarHBondContact O-N 3.45Å; L1295-A1299 VanDerWaalsContact O-CB 3.28Å; L1295-A1299 WeakPolarHBondContact O-CB 3.47Å; L1295-A1299 PolarHBondContact O-N 2.82Å |
| 1296 | A | 86.4 | Confident | 87 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1284 H1288 N1293 A1299 C1300 Y1336 | Y1284-A1296 HydrophobicContact CD1-CB 4.12Å; Y1284-A1296 HydrophobicContact CE1-CB 4.05Å; H1288-A1296 HydrophobicContact CB-CB 4.38Å; N1293-A1296 PolarHBondContact O-N 3.41Å; N1293-A1296 WeakPolarHBondContact OD1-CB 3.48Å; N1293-A1296 PolarHBondContact OD1-N 2.87Å; A1296-A1299 PolarHBondContact O-N 3.05Å; A1296-C1300 PolarHBondContact O-N 3.05Å; A1296-C1300 PolarHBondContact O-SG 3.11Å; A1296-Y1336 HydrophobicContact CB-CE1 4.35Å |
| 1297 | L | 87.9 | Confident | 86.8 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 173.6 | -68.3 | 173.5 | 0 | 0 | 0 | 111.3 | P1292 N1293 L1295 A1299 C1300 D1301 Q1337 | P1292-L1297 HydrophobicContact CB-CD2 3.96Å; P1292-L1297 HydrophobicContact CB-CG 4.12Å; P1292-L1297 HydrophobicContact CG-CD2 4.23Å; N1293-L1297 WeakPolarHBondContact O-CG 3.17Å; N1293-L1297 PolarHBondContact O-N 2.71Å; N1293-L1297 VanDerWaalsContact O-N 3.08Å; L1295-L1297 VanDerWaalsContact C-N 3.33Å; L1295-L1297 PolarHBondContact O-N 2.9Å; L1297-A1299 VanDerWaalsContact C-N 3.28Å; L1297-A1299 PolarHBondContact O-N 3.12Å; L1297-C1300 PolarHBondContact O-N 3.39Å; L1297-D1301 WeakPolarHBondContact O-CB 3.48Å; L1297-D1301 PolarHBondContact O-N 3.07Å; L1297-Q1337 HydrophobicContact CD2-CG 4.34Å |
| 1298 | S | 88.3 | Confident | 86.6 | Confident | 60 Ų | 60 | 49.6 Ų | 49.6 | 42% | 0.42 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -36.5 | 176.2 | -169.5 | 0 | 0 | 0 | 0 | 112 | V1255 K1294 L1295 D1301 A1302 | V1255-S1298 WeakPolarHBondContact CG1-OG 3.36Å; K1294-S1298 WeakPolarHBondContact O-CB 3.28Å; K1294-S1298 PolarHBondContact O-N 3.31Å; L1295-S1298 PolarHBondContact O-N 3.45Å; S1298-D1301 PolarHBondContact O-N 3.14Å; S1298-A1302 VanDerWaalsContact O-CB 3.25Å; S1298-A1302 WeakPolarHBondContact O-CB 3.45Å; S1298-A1302 PolarHBondContact O-N 3.35Å |
| 1299 | A | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1255 I1281 L1295 A1296 L1297 D1301 A1302 V1303 | V1255-A1299 VanDerWaalsContact CG2-CA 3.45Å; V1255-A1299 HydrophobicContact CG2-CB 3.35Å; I1281-A1299 HydrophobicContact CD1-CB 4.31Å; I1281-A1299 HydrophobicContact CG1-CB 4.48Å; I1281-A1299 HydrophobicContact CG2-CB 3.68Å; L1295-A1299 VanDerWaalsContact O-CB 3.28Å; L1295-A1299 WeakPolarHBondContact O-CB 3.47Å; L1295-A1299 PolarHBondContact O-N 2.82Å; A1296-A1299 PolarHBondContact O-N 3.05Å; L1297-A1299 VanDerWaalsContact C-N 3.28Å; L1297-A1299 PolarHBondContact O-N 3.12Å; A1299-D1301 VanDerWaalsContact C-N 3.32Å; A1299-A1302 PolarHBondContact O-N 3.36Å; A1299-V1303 VanDerWaalsContact O-CG2 3.29Å; A1299-V1303 WeakPolarHBondContact O-CG2 3.47Å; A1299-V1303 PolarHBondContact O-N 2.96Å |
| 1300 | C | 89.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | A1296 L1297 A1304 M1333 Y1336 | A1296-C1300 PolarHBondContact O-N 3.05Å; A1296-C1300 PolarHBondContact O-SG 3.11Å; L1297-C1300 PolarHBondContact O-N 3.39Å; C1300-A1304 WeakPolarHBondContact O-CB 3.36Å; C1300-A1304 PolarHBondContact O-N 3.47Å; C1300-M1333 HydrophobicContact CB-CB 4.4Å; C1300-M1333 HydrophobicContact CB-SD 4.42Å; C1300-M1333 WeakPolarHBondContact O-CB 3.24Å; C1300-Y1336 HydrophobicContact CB-CD1 4.01Å; C1300-Y1336 WeakPolarHBondContact SG-CD1 3.12Å |
| 1301 | D | 88.4 | Confident | 86 | Confident | 54 Ų | 54 | 42.4 Ų | 42.4 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.3 | -46.9 | 176.5 | -158.6 | 27.3 | 0 | 0 | 0 | 111.7 | L1297 S1298 A1299 V1303 A1304 E1305 Q1337 | L1297-D1301 WeakPolarHBondContact O-CB 3.48Å; L1297-D1301 PolarHBondContact O-N 3.07Å; S1298-D1301 PolarHBondContact O-N 3.14Å; A1299-D1301 VanDerWaalsContact C-N 3.32Å; D1301-V1303 VanDerWaalsContact C-N 3.32Å; D1301-V1303 PolarHBondContact O-N 3.22Å; D1301-A1304 CarbonylContact O-C 3.54Å; D1301-A1304 PolarHBondContact O-N 3.2Å; D1301-E1305 WeakPolarHBondContact O-CB 3.2Å; D1301-E1305 PolarHBondContact O-N 3.32Å; D1301-Q1337 PolarHBondContact OD1-NE2 3.14Å; D1301-Q1337 PolarHBondContact OD1-OE1 3.5Å; D1301-Q1337 PolarHBondContact OD2-NE2 3.31Å |
| 1302 | A | 88.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1255 M1258 S1298 A1299 F1306 | V1255-A1302 HydrophobicContact CG1-CB 3.9Å; M1258-A1302 HydrophobicContact CB-CB 4.04Å; M1258-A1302 HydrophobicContact CG-CB 4.26Å; S1298-A1302 VanDerWaalsContact O-CB 3.25Å; S1298-A1302 WeakPolarHBondContact O-CB 3.45Å; S1298-A1302 PolarHBondContact O-N 3.35Å; A1299-A1302 PolarHBondContact O-N 3.36Å; A1302-F1306 VanDerWaalsContact O-CB 3.27Å; A1302-F1306 WeakPolarHBondContact O-CB 3.19Å; A1302-F1306 PolarHBondContact O-N 3.31Å |
| 1303 | V | 89.2 | Confident | 85 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 173 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | M1258 L1274 V1278 I1281 A1299 D1301 C1307 M1333 | M1258-V1303 HydrophobicContact CE-CG2 3.73Å; M1258-V1303 HydrophobicContact CG-CG2 4.27Å; M1258-V1303 HydrophobicContact SD-CG2 4.06Å; L1274-V1303 HydrophobicContact CD1-CG1 4.35Å; V1278-V1303 HydrophobicContact CG2-CG1 3.74Å; V1278-V1303 HydrophobicContact CG2-CG2 4.01Å; I1281-V1303 HydrophobicContact CD1-CG2 4.01Å; A1299-V1303 VanDerWaalsContact O-CG2 3.29Å; A1299-V1303 WeakPolarHBondContact O-CG2 3.47Å; A1299-V1303 PolarHBondContact O-N 2.96Å; D1301-V1303 VanDerWaalsContact C-N 3.32Å; D1301-V1303 PolarHBondContact O-N 3.22Å; V1303-C1307 WeakPolarHBondContact O-CB 3.4Å; V1303-C1307 PolarHBondContact O-N 3.13Å; V1303-C1307 PolarHBondContact O-SG 2.8Å; V1303-M1333 HydrophobicContact CB-CG 4.43Å; V1303-M1333 HydrophobicContact CG1-CE 4.26Å; V1303-M1333 HydrophobicContact CG1-CG 3.94Å |
| 1304 | A | 88.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1300 D1301 C1307 Q1308 M1333 R1334 | C1300-A1304 WeakPolarHBondContact O-CB 3.36Å; C1300-A1304 PolarHBondContact O-N 3.47Å; D1301-A1304 CarbonylContact O-C 3.54Å; D1301-A1304 PolarHBondContact O-N 3.2Å; A1304-C1307 PolarHBondContact O-N 3.04Å; A1304-Q1308 WeakPolarHBondContact O-CB 3.35Å; A1304-Q1308 PolarHBondContact O-N 3.49Å; A1304-M1333 HydrophobicContact CB-CB 4Å; A1304-R1334 HydrophobicContact CB-CG 3.73Å |
| 1305 | E | 87.3 | Confident | 82.6 | Confident | 91 Ų | 91 | 40.2 Ų | 40.2 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.5 | -172.6 | -179.8 | -176 | 0 | 0 | 110.5 | D1301 C1307 Q1308 N1309 | D1301-E1305 WeakPolarHBondContact O-CB 3.2Å; D1301-E1305 PolarHBondContact O-N 3.32Å; E1305-C1307 PolarHBondContact O-N 3.3Å; E1305-Q1308 WeakPolarHBondContact O-CB 3.29Å; E1305-Q1308 PolarHBondContact O-N 3.31Å; E1305-N1309 WeakPolarHBondContact O-CB 3.38Å; E1305-N1309 PolarHBondContact O-N 3.27Å; E1305-N1309 PolarHBondContact O-OD1 3.41Å |
| 1306 | F | 86.7 | Confident | 81 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.8 | -179.4 | -100.1 | 0 | 0 | 0 | 112.6 | M1258 L1261 V1270 L1274 A1302 Q1308 N1309 Q1310 | M1258-F1306 HydrophobicContact CG-CB 4.07Å; M1258-F1306 WeakPolarHBondContact O-CD2 3.31Å; L1261-F1306 HydrophobicContact CB-CD2 4.34Å; L1261-F1306 HydrophobicContact CB-CE1 4.42Å; L1261-F1306 HydrophobicContact CB-CE2 3.55Å; L1261-F1306 HydrophobicContact CB-CZ 3.57Å; L1261-F1306 HydrophobicContact CD1-CD1 4.19Å; L1261-F1306 HydrophobicContact CD1-CD2 4.42Å; L1261-F1306 HydrophobicContact CD1-CE1 3.89Å; L1261-F1306 HydrophobicContact CD1-CE2 4.18Å; L1261-F1306 HydrophobicContact CD1-CG 4.41Å; L1261-F1306 HydrophobicContact CD1-CZ 3.87Å; L1261-F1306 HydrophobicContact CG-CE2 4.34Å; L1261-F1306 HydrophobicContact CG-CZ 4.33Å; V1270-F1306 HydrophobicContact CG1-CE1 4.18Å; V1270-F1306 HydrophobicContact CG1-CZ 3.8Å; L1274-F1306 HydrophobicContact CB-CE1 4.22Å; L1274-F1306 HydrophobicContact CD1-CD1 3.75Å; L1274-F1306 HydrophobicContact CD1-CE1 4.1Å; L1274-F1306 HydrophobicContact CD2-CD1 4.33Å; L1274-F1306 HydrophobicContact CD2-CE1 4.21Å; L1274-F1306 HydrophobicContact CG-CD1 4.49Å; L1274-F1306 HydrophobicContact CG-CE1 4.41Å; A1302-F1306 VanDerWaalsContact O-CB 3.27Å; A1302-F1306 WeakPolarHBondContact O-CB 3.19Å; A1302-F1306 PolarHBondContact O-N 3.31Å; F1306-Q1308 VanDerWaalsContact C-N 3.26Å; F1306-Q1308 PolarHBondContact O-N 3.32Å; F1306-N1309 PolarHBondContact O-N 3.22Å; F1306-Q1310 HydrophobicContact CD1-CG 4.03Å; F1306-Q1310 HydrophobicContact CD2-CG 4.38Å; F1306-Q1310 HydrophobicContact CE1-CG 3.53Å; F1306-Q1310 HydrophobicContact CE2-CG 3.89Å; F1306-Q1310 HydrophobicContact CG-CG 4.45Å; F1306-Q1310 HydrophobicContact CZ-CG 3.47Å; F1306-Q1310 VanDerWaalsContact CZ-CG 3.47Å; F1306-Q1310 WeakPolarHBondContact O-CB 2.91Å; F1306-Q1310 WeakPolarHBondContact O-CG 3.27Å; F1306-Q1310 PolarHBondContact O-N 3.43Å |
| 1307 | C | 86.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -36.6 | 177.4 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | V1303 A1304 E1305 L1311 L1326 A1330 | V1303-C1307 WeakPolarHBondContact O-CB 3.4Å; V1303-C1307 PolarHBondContact O-N 3.13Å; V1303-C1307 PolarHBondContact O-SG 2.8Å; A1304-C1307 PolarHBondContact O-N 3.04Å; E1305-C1307 PolarHBondContact O-N 3.3Å; C1307-L1311 WeakPolarHBondContact O-CB 3.26Å; C1307-L1311 PolarHBondContact O-N 3.45Å; C1307-L1326 HydrophobicContact CB-CD2 4.3Å; C1307-A1330 HydrophobicContact CB-CB 3.73Å |
| 1308 | Q | 83.7 | Confident | 77.5 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -46.8 | 175.2 | -171.2 | 71.4 | 55 | 0 | 0 | 111.6 | A1304 E1305 F1306 Q1310 L1311 E1312 R1334 | A1304-Q1308 WeakPolarHBondContact O-CB 3.35Å; A1304-Q1308 PolarHBondContact O-N 3.49Å; E1305-Q1308 WeakPolarHBondContact O-CB 3.29Å; E1305-Q1308 PolarHBondContact O-N 3.31Å; F1306-Q1308 VanDerWaalsContact C-N 3.26Å; F1306-Q1308 PolarHBondContact O-N 3.32Å; Q1308-Q1310 VanDerWaalsContact C-N 3.31Å; Q1308-Q1310 PolarHBondContact O-N 2.82Å; Q1308-L1311 WeakPolarHBondContact O-CB 3.31Å; Q1308-L1311 PolarHBondContact O-N 3.05Å; Q1308-L1311 VanDerWaalsContact O-N 3.12Å; Q1308-E1312 WeakPolarHBondContact O-CG 3.32Å; Q1308-E1312 PolarHBondContact O-N 2.98Å; Q1308-R1334 VanDerWaalsContact OE1-NH1 3.12Å |
| 1309 | N | 81.8 | Confident | 75.3 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 179.3 | -67.7 | -10.8 | 0 | 0 | 0 | 111.5 | E1305 F1306 E1312 S1313 | E1305-N1309 WeakPolarHBondContact O-CB 3.38Å; E1305-N1309 PolarHBondContact O-N 3.27Å; E1305-N1309 PolarHBondContact O-OD1 3.41Å; F1306-N1309 PolarHBondContact O-N 3.22Å; N1309-E1312 PolarHBondContact O-N 2.87Å; N1309-S1313 WeakPolarHBondContact O-CB 3.38Å; N1309-S1313 PolarHBondContact O-N 3.4Å |
| 1310 | Q | 81.5 | Confident | 73.3 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 172.2 | -75.5 | -65.3 | -18.5 | 0 | 0 | 111.3 | V1270 F1306 Q1308 S1313 M1314 | V1270-Q1310 HydrophobicContact CG1-CG 4.45Å; F1306-Q1310 HydrophobicContact CD1-CG 4.03Å; F1306-Q1310 HydrophobicContact CD2-CG 4.38Å; F1306-Q1310 HydrophobicContact CE1-CG 3.53Å; F1306-Q1310 HydrophobicContact CE2-CG 3.89Å; F1306-Q1310 HydrophobicContact CG-CG 4.45Å; F1306-Q1310 HydrophobicContact CZ-CG 3.47Å; F1306-Q1310 VanDerWaalsContact CZ-CG 3.47Å; F1306-Q1310 WeakPolarHBondContact O-CB 2.91Å; F1306-Q1310 WeakPolarHBondContact O-CG 3.27Å; F1306-Q1310 PolarHBondContact O-N 3.43Å; Q1308-Q1310 VanDerWaalsContact C-N 3.31Å; Q1308-Q1310 PolarHBondContact O-N 2.82Å; Q1310-S1313 PolarHBondContact O-N 3.25Å; Q1310-S1313 PolarHBondContact O-OG 2.68Å; Q1310-M1314 WeakPolarHBondContact O-CG 3.44Å; Q1310-M1314 PolarHBondContact O-N 3.19Å |
| 1311 | L | 78.5 | Confident | 71.2 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 9% | 0.089 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.9 | -163.9 | 74.6 | 0 | 0 | 0 | 111.4 | C1307 Q1308 S1313 M1314 D1315 H1324 E1327 | C1307-L1311 WeakPolarHBondContact O-CB 3.26Å; C1307-L1311 PolarHBondContact O-N 3.45Å; Q1308-L1311 WeakPolarHBondContact O-CB 3.31Å; Q1308-L1311 PolarHBondContact O-N 3.05Å; Q1308-L1311 VanDerWaalsContact O-N 3.12Å; L1311-S1313 VanDerWaalsContact C-N 3.27Å; L1311-S1313 PolarHBondContact O-N 3.25Å; L1311-M1314 CarbonylContact O-C 3.59Å; L1311-M1314 PolarHBondContact O-N 3.21Å; L1311-D1315 WeakPolarHBondContact O-CB 3.25Å; L1311-D1315 VanDerWaalsContact O-CG 3.23Å; L1311-D1315 PolarHBondContact O-N 2.95Å; L1311-H1324 HydrophobicContact CD1-CB 4.14Å; L1311-E1327 HydrophobicContact CD2-CB 4.2Å; L1311-E1327 HydrophobicContact CD2-CG 4.32Å |
| 1312 | E | 74.9 | Confident | 69.5 | Low | 119 Ų | 119 | 75.2 Ų | 75.2 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.6 | -35.1 | 176.6 | -72.6 | 176.7 | -166.7 | 0 | 0 | 112.5 | Q1308 N1309 | Q1308-E1312 WeakPolarHBondContact O-CG 3.32Å; Q1308-E1312 PolarHBondContact O-N 2.98Å; N1309-E1312 PolarHBondContact O-N 2.87Å |
| 1313 | S | 68 | Low | 68.4 | Low | 73 Ų | 73 | 82.1 Ų | 82.1 | 51% | 0.51 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.6 | -30.2 | 174.8 | 76.5 | 0 | 0 | 0 | 0 | 113.5 | N1309 Q1310 L1311 | N1309-S1313 WeakPolarHBondContact O-CB 3.38Å; N1309-S1313 PolarHBondContact O-N 3.4Å; Q1310-S1313 PolarHBondContact O-N 3.25Å; Q1310-S1313 PolarHBondContact O-OG 2.68Å; L1311-S1313 VanDerWaalsContact C-N 3.27Å; L1311-S1313 PolarHBondContact O-N 3.25Å |
| 1314 | M | 67 | Low | 67.8 | Low | 93 Ų | 93 | 84.8 Ų | 84.8 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -84.2 | -30.6 | 177.7 | -68.6 | 179.3 | 74.3 | 0 | 0 | 112.7 | Q1310 L1311 A1316 E1317 L1326 | Q1310-M1314 WeakPolarHBondContact O-CG 3.44Å; Q1310-M1314 PolarHBondContact O-N 3.19Å; L1311-M1314 CarbonylContact O-C 3.59Å; L1311-M1314 PolarHBondContact O-N 3.21Å; M1314-A1316 PolarHBondContact O-N 3.38Å; M1314-A1316 VanDerWaalsContact O-N 3.15Å; M1314-E1317 PolarHBondContact O-N 3.49Å; M1314-L1326 HydrophobicContact SD-CD1 4.42Å |
| 1315 | D | 54 | Low | 67.4 | Low | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.6 | -179.1 | -80.7 | -21.5 | 0 | 0 | 0 | 113.2 | L1311 E1317 | L1311-D1315 WeakPolarHBondContact O-CB 3.25Å; L1311-D1315 VanDerWaalsContact O-CG 3.23Å; L1311-D1315 PolarHBondContact O-N 2.95Å; D1315-E1317 PolarHBondContact O-N 3.45Å |
| 1316 | A | 55.2 | Low | 67.1 | Low | 91 Ų | 91 | 82.4 Ų | 82.4 | 75% | 0.752 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1314 | M1314-A1316 PolarHBondContact O-N 3.38Å; M1314-A1316 VanDerWaalsContact O-N 3.15Å |
| 1317 | E | 52.2 | Low | 66.9 | Low | 180 Ų | 180 | 86.3 Ų | 86.3 | 84% | 0.841 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -17.2 | -176.1 | -66.7 | -166.8 | 161.6 | 0 | 0 | 115.9 | M1314 D1315 | M1314-E1317 PolarHBondContact O-N 3.49Å; D1315-E1317 PolarHBondContact O-N 3.45Å |
| 1318 | V | 47.9 | Very low | 66.9 | Low | 106 Ų | 106 | 89 Ų | 89 | 64% | 0.642 | 48% | 0.484 | S | S | * | . | trans | -136.7 | 74 | -173.4 | -166.2 | 0 | 0 | 0 | 0 | 113.7 | Q1320 | V1318-Q1320 PolarHBondContact O-N 2.9Š| ||
| 1319 | S | 42.7 | Very low | 67.1 | Low | 107 Ų | 107 | 86.7 Ų | 86.7 | 75% | 0.748 | 47% | 0.473 | S | S | * | . | trans | -77.1 | 86.5 | 163 | -59.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1320 | Q | 46.9 | Very low | 67.3 | Low | 172 Ų | 172 | 83.4 Ų | 83.4 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -171.8 | 103.3 | 159.2 | -107 | 158.7 | 64.1 | 0 | 0 | 114.2 | V1318 S1322 | V1318-Q1320 PolarHBondContact O-N 2.9Å; Q1320-S1322 PolarHBondContact O-N 3.47Å; Q1320-S1322 VanDerWaalsContact O-N 3.09Å |
| 1321 | N | 45 | Very low | 67.5 | Low | 178 Ų | 178 | 84.7 Ų | 84.7 | 95% | 0.952 | 47% | 0.467 | S | S | * | . | trans | 35.5 | 51.4 | 147.3 | -69.7 | -1.4 | 0 | 0 | 0 | 120.7 | ||||
| 1322 | S | 54.6 | Low | 67.9 | Low | 95 Ų | 95 | 84.6 Ų | 84.6 | 66% | 0.664 | 47% | 0.466 | S | S | * | . | trans | -133.1 | 118 | 154.8 | 65 | 0 | 0 | 0 | 0 | 110 | Q1320 H1324 | Q1320-S1322 PolarHBondContact O-N 3.47Å; Q1320-S1322 VanDerWaalsContact O-N 3.09Å; S1322-H1324 PolarHBondContact O-N 3.49Å | ||
| 1323 | E | 64.1 | Low | 68.5 | Low | 153 Ų | 153 | 79.1 Ų | 79.1 | 72% | 0.715 | 44% | 0.44 | S | S | * | . | trans | -54.8 | 104.6 | 173.9 | -65.4 | 174.6 | 171.3 | 0 | 0 | 109.2 | H1328 | E1323-H1328 IonicContact OE2-CE1 3.63Å; E1323-H1328 IonicContact OE2-NE2 3.7Å | ||
| 1324 | H | 76.4 | Confident | 69.4 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | trans | -75.3 | 133.3 | -173.8 | -165.7 | -84.8 | 0 | 0 | 0 | 109.5 | L1311 S1322 L1326 E1327 | L1311-H1324 HydrophobicContact CD1-CB 4.14Å; S1322-H1324 PolarHBondContact O-N 3.49Å; H1324-L1326 WeakPolarHBondContact CE1-CD1 3.11Å; H1324-L1326 VanDerWaalsContact ND1-CB 3.33Å; H1324-L1326 WeakPolarHBondContact ND1-CB 3.49Å; H1324-L1326 PolarHBondContact ND1-N 3.41Å; H1324-L1326 PolarHBondContact O-N 2.79Å; H1324-E1327 WeakPolarHBondContact O-CB 3.42Å; H1324-E1327 PolarHBondContact O-N 3.02Å | ||
| 1325 | P | 80.4 | Confident | 70.2 | Confident | 34 Ų | 34 | 78 Ų | 78 | 22% | 0.221 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.3 | -22.6 | -178.3 | -22.9 | 31.1 | 0 | 0 | 0 | 114.6 | H1328 L1329 D1358 L1359 | P1325-H1328 PolarHBondContact O-N 2.9Å; P1325-L1329 PolarHBondContact O-N 3.3Å; P1325-D1358 HydrophobicContact CB-CB 4.5Å; P1325-D1358 HydrophobicContact CG-CB 4.43Å; P1325-L1359 HydrophobicContact CB-CD2 3.78Å; P1325-L1359 HydrophobicContact CB-CG 3.88Å; P1325-L1359 HydrophobicContact CG-CD2 4.2Å |
| 1326 | L | 81.4 | Confident | 71.5 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 171.3 | -77.8 | 162.6 | 0 | 0 | 0 | 112.6 | L1274 C1307 M1314 H1324 H1328 L1329 A1330 L1359 | L1274-L1326 HydrophobicContact CD2-CD2 3.78Å; C1307-L1326 HydrophobicContact CB-CD2 4.3Å; M1314-L1326 HydrophobicContact SD-CD1 4.42Å; H1324-L1326 WeakPolarHBondContact CE1-CD1 3.11Å; H1324-L1326 VanDerWaalsContact ND1-CB 3.33Å; H1324-L1326 WeakPolarHBondContact ND1-CB 3.49Å; H1324-L1326 PolarHBondContact ND1-N 3.41Å; H1324-L1326 PolarHBondContact O-N 2.79Å; L1326-H1328 VanDerWaalsContact C-N 3.3Å; L1326-H1328 PolarHBondContact O-N 3.43Å; L1326-L1329 PolarHBondContact O-N 3.21Å; L1326-A1330 WeakPolarHBondContact O-CB 3.49Å; L1326-A1330 PolarHBondContact O-N 2.57Å; L1326-L1359 HydrophobicContact CD1-CD2 4.49Å; L1326-L1359 HydrophobicContact CD2-CD1 3.78Å; L1326-L1359 HydrophobicContact CG-CD1 3.89Å; L1326-L1359 HydrophobicContact CG-CD2 3.82Å |
| 1327 | E | 83.1 | Confident | 72.4 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 42% | 0.421 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 178.8 | -171.2 | -176.3 | 174.6 | 0 | 0 | 110.3 | L1311 H1324 A1330 T1331 | L1311-E1327 HydrophobicContact CD2-CB 4.2Å; L1311-E1327 HydrophobicContact CD2-CG 4.32Å; H1324-E1327 WeakPolarHBondContact O-CB 3.42Å; H1324-E1327 PolarHBondContact O-N 3.02Å; E1327-A1330 PolarHBondContact O-N 3.49Å; E1327-T1331 WeakPolarHBondContact O-CB 3.45Å; E1327-T1331 PolarHBondContact O-N 3.13Å; E1327-T1331 PolarHBondContact O-OG1 2.93Å |
| 1328 | H | 85.1 | Confident | 73.6 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.4 | -62.3 | 156.4 | 0 | 0 | 0 | 112.5 | E1323 P1325 L1326 T1331 I1332 Y1355 | E1323-H1328 IonicContact OE2-CE1 3.63Å; E1323-H1328 IonicContact OE2-NE2 3.7Å; P1325-H1328 PolarHBondContact O-N 2.9Å; L1326-H1328 VanDerWaalsContact C-N 3.3Å; L1326-H1328 PolarHBondContact O-N 3.43Å; H1328-T1331 PolarHBondContact O-N 2.7Å; H1328-I1332 WeakPolarHBondContact O-CG1 3.36Å; H1328-I1332 PolarHBondContact O-N 2.78Å; H1328-Y1355 HydrophobicContact CB-CD2 3.96Å; H1328-Y1355 HydrophobicContact CB-CE1 4.17Å; H1328-Y1355 HydrophobicContact CB-CE2 3.5Å; H1328-Y1355 HydrophobicContact CB-CG 4.44Å |
| 1329 | L | 87.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 175.1 | -176.7 | 61.6 | 0 | 0 | 0 | 111.3 | P1325 L1326 T1331 I1332 M1333 I1352 L1356 L1359 | P1325-L1329 PolarHBondContact O-N 3.3Å; L1326-L1329 PolarHBondContact O-N 3.21Å; L1329-T1331 VanDerWaalsContact C-N 3.28Å; L1329-T1331 PolarHBondContact O-N 3.21Å; L1329-I1332 PolarHBondContact O-N 3.45Å; L1329-M1333 HydrophobicContact CD1-CE 3.96Å; L1329-M1333 HydrophobicContact CD1-CG 4.39Å; L1329-M1333 WeakPolarHBondContact O-CG 3.39Å; L1329-M1333 PolarHBondContact O-N 3.36Å; L1329-I1352 HydrophobicContact CD1-CG1 4.45Å; L1329-I1352 HydrophobicContact CD1-CG2 4.06Å; L1329-L1356 HydrophobicContact CD2-CD2 4.04Å; L1329-L1359 HydrophobicContact CD2-CD1 4.29Å |
| 1330 | A | 86 | Confident | 75.4 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.008 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1307 L1326 E1327 M1333 R1334 | C1307-A1330 HydrophobicContact CB-CB 3.73Å; L1326-A1330 WeakPolarHBondContact O-CB 3.49Å; L1326-A1330 PolarHBondContact O-N 2.57Å; E1327-A1330 PolarHBondContact O-N 3.49Å; A1330-M1333 PolarHBondContact O-N 2.88Å; A1330-R1334 PolarHBondContact O-N 2.89Å |
| 1331 | T | 86.5 | Confident | 75.9 | Confident | 67 Ų | 67 | 67 Ų | 67 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | E1327 H1328 L1329 M1333 R1334 L1335 | E1327-T1331 WeakPolarHBondContact O-CB 3.45Å; E1327-T1331 PolarHBondContact O-N 3.13Å; E1327-T1331 PolarHBondContact O-OG1 2.93Å; H1328-T1331 PolarHBondContact O-N 2.7Å; L1329-T1331 VanDerWaalsContact C-N 3.28Å; L1329-T1331 PolarHBondContact O-N 3.21Å; T1331-M1333 VanDerWaalsContact C-N 3.33Å; T1331-M1333 PolarHBondContact O-N 3.18Å; T1331-R1334 PolarHBondContact O-N 3.41Å; T1331-L1335 HydrophobicContact CG2-CD1 4.28Å; T1331-L1335 VanDerWaalsContact O-CG 3.29Å; T1331-L1335 WeakPolarHBondContact O-CG 3.45Å; T1331-L1335 PolarHBondContact O-N 3.16Å |
| 1332 | I | 87 | Confident | 76.9 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 178.6 | -73.7 | -167.1 | 0 | 0 | 0 | 111.7 | H1328 L1329 L1335 Y1336 W1348 C1351 I1352 Y1355 | H1328-I1332 WeakPolarHBondContact O-CG1 3.36Å; H1328-I1332 PolarHBondContact O-N 2.78Å; L1329-I1332 PolarHBondContact O-N 3.45Å; I1332-L1335 PolarHBondContact O-N 2.68Å; I1332-Y1336 PolarHBondContact O-N 2.72Å; I1332-Y1336 VanDerWaalsContact O-N 3.12Å; I1332-W1348 VanDerWaalsContact CG2-NE1 3.34Å; I1332-C1351 HydrophobicContact CD1-CB 3.48Å; I1332-C1351 VanDerWaalsContact CD1-CB 3.48Å; I1332-I1352 HydrophobicContact CG2-CD1 4.05Å; I1332-I1352 HydrophobicContact CG2-CG1 3.77Å; I1332-Y1355 HydrophobicContact CD1-CD2 4.05Å; I1332-Y1355 HydrophobicContact CD1-CE2 3.31Å; I1332-Y1355 HydrophobicContact CG1-CE2 4.06Å |
| 1333 | M | 88.3 | Confident | 77.5 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 177.3 | -68.1 | -63.1 | -174.9 | 0 | 0 | 111.9 | V1278 C1300 V1303 A1304 L1329 A1330 T1331 L1335 Y1336 Q1337 W1348 I1352 | V1278-M1333 HydrophobicContact CG1-CE 3.66Å; C1300-M1333 HydrophobicContact CB-CB 4.4Å; C1300-M1333 HydrophobicContact CB-SD 4.42Å; C1300-M1333 WeakPolarHBondContact O-CB 3.24Å; V1303-M1333 HydrophobicContact CB-CG 4.43Å; V1303-M1333 HydrophobicContact CG1-CE 4.26Å; V1303-M1333 HydrophobicContact CG1-CG 3.94Å; A1304-M1333 HydrophobicContact CB-CB 4Å; L1329-M1333 HydrophobicContact CD1-CE 3.96Å; L1329-M1333 HydrophobicContact CD1-CG 4.39Å; L1329-M1333 WeakPolarHBondContact O-CG 3.39Å; L1329-M1333 PolarHBondContact O-N 3.36Å; A1330-M1333 PolarHBondContact O-N 2.88Å; T1331-M1333 VanDerWaalsContact C-N 3.33Å; T1331-M1333 PolarHBondContact O-N 3.18Å; M1333-L1335 VanDerWaalsContact C-N 3.33Å; M1333-L1335 PolarHBondContact O-N 3.34Å; M1333-Y1336 WeakPolarHBondContact O-CB 3.4Å; M1333-Y1336 PolarHBondContact O-N 3.09Å; M1333-Y1336 VanDerWaalsContact O-N 3.14Å; M1333-Q1337 PolarHBondContact O-N 3.06Å; M1333-W1348 HydrophobicContact SD-CZ2 4.19Å; M1333-I1352 HydrophobicContact CE-CD1 3.72Å; M1333-I1352 HydrophobicContact CE-CG1 4.18Å; M1333-I1352 HydrophobicContact CE-CG2 3.91Å; M1333-I1352 HydrophobicContact SD-CD1 4.12Å |
| 1334 | R | 85.5 | Confident | 78.3 | Confident | 81 Ų | 81 | 71.5 Ų | 71.5 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -34 | 171.8 | -83.8 | 173.5 | -178.7 | 154.8 | 1.6 | 113.3 | A1304 Q1308 A1330 T1331 Y1336 Q1337 K1338 | A1304-R1334 HydrophobicContact CB-CG 3.73Å; Q1308-R1334 VanDerWaalsContact OE1-NH1 3.12Å; A1330-R1334 PolarHBondContact O-N 2.89Å; T1331-R1334 PolarHBondContact O-N 3.41Å; R1334-Y1336 VanDerWaalsContact C-N 3.28Å; R1334-Y1336 PolarHBondContact O-N 2.99Å; R1334-Q1337 PolarHBondContact O-N 3.39Å; R1334-K1338 PolarHBondContact O-N 3.22Å |
| 1335 | L | 84.2 | Confident | 78.8 | Confident | 62 Ų | 62 | 70 Ų | 70 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.1 | -29.2 | 174.1 | -74.1 | 172.4 | 0 | 0 | 0 | 112 | T1331 I1332 M1333 P1340 F1341 | T1331-L1335 HydrophobicContact CG2-CD1 4.28Å; T1331-L1335 VanDerWaalsContact O-CG 3.29Å; T1331-L1335 WeakPolarHBondContact O-CG 3.45Å; T1331-L1335 PolarHBondContact O-N 3.16Å; I1332-L1335 PolarHBondContact O-N 2.68Å; M1333-L1335 VanDerWaalsContact C-N 3.33Å; M1333-L1335 PolarHBondContact O-N 3.34Å; L1335-P1340 HydrophobicContact CD2-CB 4.46Å; L1335-P1340 HydrophobicContact CD2-CG 4.12Å; L1335-P1340 WeakPolarHBondContact O-CD 3.4Å; L1335-F1341 HydrophobicContact CB-CB 4.41Å; L1335-F1341 HydrophobicContact CB-CD2 4.08Å; L1335-F1341 HydrophobicContact CD1-CD2 4.19Å |
| 1336 | Y | 82.3 | Confident | 79 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -48.7 | 169.1 | -176.3 | -88.1 | 0 | 0 | 0 | 110.4 | A1285 H1288 Y1289 P1292 A1296 C1300 I1332 M1333 R1334 K1338 R1339 W1348 | A1285-Y1336 PolarHBondContact O-OH 3.3Å; H1288-Y1336 PolarHBondContact O-OH 2.81Å; H1288-Y1336 VanDerWaalsContact O-OH 3.12Å; Y1289-Y1336 AromaticContact CD2-CD2 3.99Å; Y1289-Y1336 HydrophobicContact CD2-CD2 3.99Å; Y1289-Y1336 AromaticContact CD2-CE2 3.52Å; Y1289-Y1336 HydrophobicContact CD2-CE2 3.52Å; Y1289-Y1336 HydrophobicContact CE2-CD2 4.01Å; Y1289-Y1336 HydrophobicContact CE2-CE2 4.02Å; Y1289-Y1336 HydrophobicContact CG-CE2 4.2Å; P1292-Y1336 HydrophobicContact CB-CE1 3.9Å; A1296-Y1336 HydrophobicContact CB-CE1 4.35Å; C1300-Y1336 HydrophobicContact CB-CD1 4.01Å; C1300-Y1336 WeakPolarHBondContact SG-CD1 3.12Å; I1332-Y1336 PolarHBondContact O-N 2.72Å; I1332-Y1336 VanDerWaalsContact O-N 3.12Å; M1333-Y1336 WeakPolarHBondContact O-CB 3.4Å; M1333-Y1336 PolarHBondContact O-N 3.09Å; M1333-Y1336 VanDerWaalsContact O-N 3.14Å; R1334-Y1336 VanDerWaalsContact C-N 3.28Å; R1334-Y1336 PolarHBondContact O-N 2.99Å; Y1336-K1338 PolarHBondContact O-N 3.48Å; Y1336-R1339 PolarHBondContact O-N 3.19Å; Y1336-W1348 AromaticContact CD2-CE2 3.84Å; Y1336-W1348 AromaticContact CD2-CH2 3.96Å; Y1336-W1348 HydrophobicContact CD2-CH2 3.96Å; Y1336-W1348 AromaticContact CD2-CZ2 3.54Å; Y1336-W1348 HydrophobicContact CD2-CZ2 3.54Å; Y1336-W1348 HydrophobicContact CE2-CH2 4.2Å; Y1336-W1348 HydrophobicContact CE2-CZ2 4.24Å; Y1336-W1348 HydrophobicContact CG-CH2 4.48Å; Y1336-W1348 AromaticContact CG-CZ2 3.86Å; Y1336-W1348 HydrophobicContact CG-CZ2 3.86Å |
| 1337 | Q | 73.3 | Confident | 79.3 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | -178.4 | -170.4 | -158.7 | 23.1 | 0 | 0 | 113.5 | L1297 D1301 M1333 R1334 R1339 | L1297-Q1337 HydrophobicContact CD2-CG 4.34Å; D1301-Q1337 PolarHBondContact OD1-NE2 3.14Å; D1301-Q1337 PolarHBondContact OD1-OE1 3.5Å; D1301-Q1337 PolarHBondContact OD2-NE2 3.31Å; M1333-Q1337 PolarHBondContact O-N 3.06Å; R1334-Q1337 PolarHBondContact O-N 3.39Å; Q1337-R1339 PolarHBondContact O-N 2.83Å |
| 1338 | K | 76.7 | Confident | 79.5 | Confident | 153 Ų | 153 | 70 Ų | 70 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 0.1 | -178 | -68.6 | -176.6 | 179.4 | -179.1 | 0 | 113.9 | R1334 Y1336 P1340 | R1334-K1338 PolarHBondContact O-N 3.22Å; Y1336-K1338 PolarHBondContact O-N 3.48Å; K1338-P1340 HydrophobicContact CB-CG 3.63Å; K1338-P1340 VanDerWaalsContact O-CD 3.3Å; K1338-P1340 WeakPolarHBondContact O-CD 3.39Å |
| 1339 | R | 70.4 | Confident | 79.7 | Confident | 178 Ų | 178 | 67.3 Ų | 67.3 | 67% | 0.672 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 56 | 20.5 | -171.1 | -57.8 | -176 | 172.7 | -176.9 | -4.3 | 118.2 | Y1336 Q1337 | Y1336-R1339 PolarHBondContact O-N 3.19Å; Q1337-R1339 PolarHBondContact O-N 2.83Å |
| 1340 | P | 57.8 | Low | 79.9 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | trans | -92.3 | 1.3 | -178.2 | 3.3 | 22.8 | 0 | 0 | 0 | 113.1 | L1335 K1338 R1342 | L1335-P1340 HydrophobicContact CD2-CB 4.46Å; L1335-P1340 HydrophobicContact CD2-CG 4.12Å; L1335-P1340 WeakPolarHBondContact O-CD 3.4Å; K1338-P1340 HydrophobicContact CB-CG 3.63Å; K1338-P1340 VanDerWaalsContact O-CD 3.3Å; K1338-P1340 WeakPolarHBondContact O-CD 3.39Å; P1340-R1342 PolarHBondContact O-N 3.3Å | ||
| 1341 | F | 58.7 | Low | 80 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 18% | 0.18 | 34% | 0.337 | C | S | . | . | trans | -77.1 | 90.3 | -173.9 | -160.9 | -88.4 | 0 | 0 | 0 | 111.5 | Y1289 L1335 K1343 W1348 | Y1289-F1341 WeakPolarHBondContact OH-CD1 3.42Å; L1335-F1341 HydrophobicContact CB-CB 4.41Å; L1335-F1341 HydrophobicContact CB-CD2 4.08Å; L1335-F1341 HydrophobicContact CD1-CD2 4.19Å; F1341-K1343 HydrophobicContact CD1-CB 4.05Å; F1341-K1343 HydrophobicContact CE1-CB 3.52Å; F1341-K1343 HydrophobicContact CE1-CD 4.42Å; F1341-K1343 HydrophobicContact CE1-CG 4.32Å; F1341-K1343 HydrophobicContact CZ-CB 4.11Å; F1341-K1343 HydrophobicContact CZ-CD 4.17Å; F1341-K1343 PolarHBondContact O-N 2.94Å; F1341-W1348 HydrophobicContact CD1-CB 4.18Å; F1341-W1348 AromaticContact CD1-CD1 3.85Å; F1341-W1348 HydrophobicContact CD1-CG 4.31Å; F1341-W1348 HydrophobicContact CE1-CB 3.47Å; F1341-W1348 VanDerWaalsContact CE1-CB 3.47Å; F1341-W1348 AromaticContact CE1-CD1 3.6Å; F1341-W1348 AromaticContact CE1-CG 3.9Å; F1341-W1348 HydrophobicContact CE1-CG 3.9Å; F1341-W1348 AromaticContact CE2-CD1 3.9Å; F1341-W1348 HydrophobicContact CZ-CB 3.95Å; F1341-W1348 AromaticContact CZ-CD1 3.65Å; F1341-W1348 HydrophobicContact CZ-CG 4.2Å | ||
| 1342 | R | 65.1 | Low | 80.2 | Confident | 249 Ų | 249 | 70.4 Ų | 70.4 | 94% | 0.94 | 32% | 0.317 | S | S | * | . | trans | -72.9 | 3.2 | -175.9 | -64.5 | -174.3 | 178 | -179.9 | -1.3 | 116 | P1340 | P1340-R1342 PolarHBondContact O-N 3.3Š| ||
| 1343 | K | 68.6 | Low | 80.4 | Confident | 127 Ų | 127 | 69.8 Ų | 69.8 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -97.5 | 157 | -176.2 | -61.4 | 179 | 175.1 | -179 | 0 | 111 | Y1289 F1341 Q1347 | Y1289-K1343 PolarHBondContact OH-O 3.06Å; F1341-K1343 HydrophobicContact CD1-CB 4.05Å; F1341-K1343 HydrophobicContact CE1-CB 3.52Å; F1341-K1343 HydrophobicContact CE1-CD 4.42Å; F1341-K1343 HydrophobicContact CE1-CG 4.32Å; F1341-K1343 HydrophobicContact CZ-CB 4.11Å; F1341-K1343 HydrophobicContact CZ-CD 4.17Å; F1341-K1343 PolarHBondContact O-N 2.94Å; K1343-Q1347 HydrophobicContact CB-CB 4.43Å; K1343-Q1347 HydrophobicContact CD-CG 4Å |
| 1344 | E | 80.7 | Confident | 80.5 | Confident | 146 Ų | 146 | 74.8 Ų | 74.8 | 68% | 0.682 | 34% | 0.336 | S | S | * | . | trans | -55.7 | 144.6 | 175.9 | -64.5 | 176.9 | -172.8 | 0 | 0 | 111.9 | T1346 Q1347 W1348 | E1344-T1346 PolarHBondContact O-N 3.43Å; E1344-T1346 VanDerWaalsContact O-N 3.13Å; E1344-Q1347 PolarHBondContact O-N 3.27Å; E1344-W1348 PolarHBondContact O-N 3.36Å | ||
| 1345 | C | 85.5 | Confident | 80.7 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.6 | -34.3 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 112.8 | Y1289 Q1347 W1348 T1349 | Y1289-C1345 HydrophobicContact CD1-CB 3.73Å; Y1289-C1345 HydrophobicContact CD2-CB 4.07Å; Y1289-C1345 HydrophobicContact CE1-CB 3.88Å; Y1289-C1345 HydrophobicContact CE2-CB 4.24Å; Y1289-C1345 HydrophobicContact CG-CB 3.83Å; C1345-Q1347 PolarHBondContact O-N 3.35Å; C1345-W1348 WeakPolarHBondContact O-CB 3.31Å; C1345-W1348 PolarHBondContact O-N 2.91Å; C1345-T1349 WeakPolarHBondContact O-CB 3.26Å; C1345-T1349 PolarHBondContact O-N 2.99Å; C1345-T1349 PolarHBondContact O-OG1 2.94Å |
| 1346 | T | 86.1 | Confident | 80.8 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | E1344 K1350 | E1344-T1346 PolarHBondContact O-N 3.43Å; E1344-T1346 VanDerWaalsContact O-N 3.13Å; T1346-K1350 WeakPolarHBondContact O-CB 3.49Å; T1346-K1350 PolarHBondContact O-N 2.81Å |
| 1347 | Q | 87.2 | Confident | 81 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.7 | -35.3 | 178.9 | -175 | 58.6 | 41.1 | 0 | 0 | 111.6 | K1343 E1344 C1345 C1351 | K1343-Q1347 HydrophobicContact CB-CB 4.43Å; K1343-Q1347 HydrophobicContact CD-CG 4Å; E1344-Q1347 PolarHBondContact O-N 3.27Å; C1345-Q1347 PolarHBondContact O-N 3.35Å; Q1347-C1351 PolarHBondContact O-N 2.56Å; Q1347-C1351 VanDerWaalsContact O-N 3.16Å; Q1347-C1351 PolarHBondContact O-SG 3.14Å |
| 1348 | W | 87.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 72 Ų | 72 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -52 | 171.5 | -175.3 | 75.6 | 0 | 0 | 0 | 111.2 | L1282 A1285 I1286 Y1289 I1332 M1333 Y1336 F1341 E1344 C1345 K1350 C1351 I1352 | L1282-W1348 HydrophobicContact CD1-CE3 4.27Å; L1282-W1348 HydrophobicContact CD1-CH2 3.83Å; L1282-W1348 HydrophobicContact CD1-CZ3 3.49Å; L1282-W1348 VanDerWaalsContact CD1-CZ3 3.49Å; A1285-W1348 HydrophobicContact CB-CH2 3.76Å; A1285-W1348 HydrophobicContact CB-CZ3 4.19Å; I1286-W1348 HydrophobicContact CG1-CZ3 4.16Å; Y1289-W1348 HydrophobicContact CD2-CD2 4.25Å; Y1289-W1348 AromaticContact CD2-CE3 3.9Å; Y1289-W1348 HydrophobicContact CD2-CE3 3.9Å; Y1289-W1348 HydrophobicContact CD2-CZ3 4.27Å; Y1289-W1348 HydrophobicContact CE2-CB 3.84Å; Y1289-W1348 AromaticContact CE2-CD2 3.64Å; Y1289-W1348 HydrophobicContact CE2-CD2 3.64Å; Y1289-W1348 AromaticContact CE2-CE3 3.73Å; Y1289-W1348 HydrophobicContact CE2-CE3 3.73Å; Y1289-W1348 AromaticContact CE2-CG 3.71Å; Y1289-W1348 HydrophobicContact CE2-CG 3.71Å; Y1289-W1348 HydrophobicContact CE2-CZ3 4.47Å; I1332-W1348 VanDerWaalsContact CG2-NE1 3.34Å; M1333-W1348 HydrophobicContact SD-CZ2 4.19Å; Y1336-W1348 AromaticContact CD2-CE2 3.84Å; Y1336-W1348 AromaticContact CD2-CH2 3.96Å; Y1336-W1348 HydrophobicContact CD2-CH2 3.96Å; Y1336-W1348 AromaticContact CD2-CZ2 3.54Å; Y1336-W1348 HydrophobicContact CD2-CZ2 3.54Å; Y1336-W1348 HydrophobicContact CE2-CH2 4.2Å; Y1336-W1348 HydrophobicContact CE2-CZ2 4.24Å; Y1336-W1348 HydrophobicContact CG-CH2 4.48Å; Y1336-W1348 AromaticContact CG-CZ2 3.86Å; Y1336-W1348 HydrophobicContact CG-CZ2 3.86Å; F1341-W1348 HydrophobicContact CD1-CB 4.18Å; F1341-W1348 AromaticContact CD1-CD1 3.85Å; F1341-W1348 HydrophobicContact CD1-CG 4.31Å; F1341-W1348 HydrophobicContact CE1-CB 3.47Å; F1341-W1348 VanDerWaalsContact CE1-CB 3.47Å; F1341-W1348 AromaticContact CE1-CD1 3.6Å; F1341-W1348 AromaticContact CE1-CG 3.9Å; F1341-W1348 HydrophobicContact CE1-CG 3.9Å; F1341-W1348 AromaticContact CE2-CD1 3.9Å; F1341-W1348 HydrophobicContact CZ-CB 3.95Å; F1341-W1348 AromaticContact CZ-CD1 3.65Å; F1341-W1348 HydrophobicContact CZ-CG 4.2Å; E1344-W1348 PolarHBondContact O-N 3.36Å; C1345-W1348 WeakPolarHBondContact O-CB 3.31Å; C1345-W1348 PolarHBondContact O-N 2.91Å; W1348-K1350 VanDerWaalsContact C-N 3.32Å; W1348-K1350 PolarHBondContact O-N 3.06Å; W1348-C1351 PolarHBondContact O-N 3.08Å; W1348-C1351 VanDerWaalsContact O-N 3.16Å; W1348-I1352 HydrophobicContact CD2-CD1 3.59Å; W1348-I1352 HydrophobicContact CE3-CD1 3.87Å; W1348-I1352 HydrophobicContact CG-CD1 4.32Å; W1348-I1352 HydrophobicContact CH2-CD1 3.57Å; W1348-I1352 HydrophobicContact CZ2-CD1 3.28Å; W1348-I1352 HydrophobicContact CZ3-CD1 3.87Å; W1348-I1352 PolarHBondContact O-N 2.8Å; W1348-I1352 VanDerWaalsContact O-N 3.14Å |
| 1349 | T | 89.1 | Confident | 82 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.9 | -47 | 177.8 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | L1282 I1286 C1345 C1351 I1352 V1353 Q1388 V1389 F1392 | L1282-T1349 HydrophobicContact CD2-CG2 4.26Å; I1286-T1349 HydrophobicContact CD1-CG2 3.84Å; C1345-T1349 WeakPolarHBondContact O-CB 3.26Å; C1345-T1349 PolarHBondContact O-N 2.99Å; C1345-T1349 PolarHBondContact O-OG1 2.94Å; T1349-C1351 VanDerWaalsContact C-N 3.33Å; T1349-C1351 PolarHBondContact O-N 3.22Å; T1349-I1352 PolarHBondContact O-N 3.4Å; T1349-V1353 HydrophobicContact CG2-CG2 4.39Å; T1349-V1353 WeakPolarHBondContact O-CG2 3.39Å; T1349-V1353 PolarHBondContact O-N 2.88Å; T1349-Q1388 PolarHBondContact OG1-NE2 3.46Å; T1349-V1389 HydrophobicContact CG2-CG2 3.94Å; T1349-F1392 HydrophobicContact CG2-CD2 3.79Å; T1349-F1392 HydrophobicContact CG2-CE2 4.13Å |
| 1350 | K | 91 | Very high | 82.7 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 47% | 0.47 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 179 | -176 | 179.6 | 178.9 | -179.5 | 0 | 112.6 | T1346 W1348 K1354 F1392 | T1346-K1350 WeakPolarHBondContact O-CB 3.49Å; T1346-K1350 PolarHBondContact O-N 2.81Å; W1348-K1350 VanDerWaalsContact C-N 3.32Å; W1348-K1350 PolarHBondContact O-N 3.06Å; K1350-K1354 VanDerWaalsContact O-CB 3.3Å; K1350-K1354 WeakPolarHBondContact O-CB 3.47Å; K1350-K1354 PolarHBondContact O-N 2.72Å; K1350-F1392 HydrophobicContact CB-CD1 3.99Å; K1350-F1392 HydrophobicContact CB-CD2 4.5Å; K1350-F1392 HydrophobicContact CB-CE1 3.83Å; K1350-F1392 HydrophobicContact CB-CE2 4.35Å; K1350-F1392 HydrophobicContact CB-CG 4.33Å; K1350-F1392 HydrophobicContact CB-CZ 4.02Å; K1350-F1392 HydrophobicContact CD-CD1 4.38Å; K1350-F1392 HydrophobicContact CD-CE1 4.01Å; K1350-F1392 HydrophobicContact CG-CD1 3.91Å; K1350-F1392 HydrophobicContact CG-CE1 3.94Å |
| 1351 | C | 88.7 | Confident | 83.7 | Confident | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 178.2 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | I1332 Q1347 W1348 T1349 K1354 Y1355 | I1332-C1351 HydrophobicContact CD1-CB 3.48Å; I1332-C1351 VanDerWaalsContact CD1-CB 3.48Å; Q1347-C1351 PolarHBondContact O-N 2.56Å; Q1347-C1351 VanDerWaalsContact O-N 3.16Å; Q1347-C1351 PolarHBondContact O-SG 3.14Å; W1348-C1351 PolarHBondContact O-N 3.08Å; W1348-C1351 VanDerWaalsContact O-N 3.16Å; T1349-C1351 VanDerWaalsContact C-N 3.33Å; T1349-C1351 PolarHBondContact O-N 3.22Å; C1351-K1354 PolarHBondContact O-N 2.82Å; C1351-Y1355 HydrophobicContact CB-CE2 4.47Å; C1351-Y1355 WeakPolarHBondContact O-CD2 3.35Å; C1351-Y1355 VanDerWaalsContact O-CG 3.28Å; C1351-Y1355 PolarHBondContact O-N 2.94Å |
| 1352 | I | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | 179.5 | -68 | 170.4 | 0 | 0 | 0 | 110.9 | V1278 L1282 L1329 I1332 M1333 W1348 T1349 K1354 Y1355 L1356 | V1278-I1352 HydrophobicContact CG1-CG2 4.07Å; L1282-I1352 HydrophobicContact CD1-CD1 3.83Å; L1282-I1352 HydrophobicContact CD1-CG2 4.22Å; L1282-I1352 HydrophobicContact CD2-CG2 4.2Å; L1329-I1352 HydrophobicContact CD1-CG1 4.45Å; L1329-I1352 HydrophobicContact CD1-CG2 4.06Å; I1332-I1352 HydrophobicContact CG2-CD1 4.05Å; I1332-I1352 HydrophobicContact CG2-CG1 3.77Å; M1333-I1352 HydrophobicContact CE-CD1 3.72Å; M1333-I1352 HydrophobicContact CE-CG1 4.18Å; M1333-I1352 HydrophobicContact CE-CG2 3.91Å; M1333-I1352 HydrophobicContact SD-CD1 4.12Å; W1348-I1352 HydrophobicContact CD2-CD1 3.59Å; W1348-I1352 HydrophobicContact CE3-CD1 3.87Å; W1348-I1352 HydrophobicContact CG-CD1 4.32Å; W1348-I1352 HydrophobicContact CH2-CD1 3.57Å; W1348-I1352 HydrophobicContact CZ2-CD1 3.28Å; W1348-I1352 HydrophobicContact CZ3-CD1 3.87Å; W1348-I1352 PolarHBondContact O-N 2.8Å; W1348-I1352 VanDerWaalsContact O-N 3.14Å; T1349-I1352 PolarHBondContact O-N 3.4Å; I1352-K1354 VanDerWaalsContact C-N 3.28Å; I1352-K1354 PolarHBondContact O-N 3.23Å; I1352-Y1355 PolarHBondContact O-N 2.95Å; I1352-L1356 HydrophobicContact CG2-CD1 4.12Å; I1352-L1356 HydrophobicContact CG2-CG 4.45Å; I1352-L1356 WeakPolarHBondContact O-CG 3.47Å; I1352-L1356 PolarHBondContact O-N 2.95Å |
| 1353 | V | 90.6 | Very high | 85.7 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111 | L1282 T1349 L1356 N1357 V1389 F1392 V1393 | L1282-V1353 HydrophobicContact CD2-CG2 4.05Å; T1349-V1353 HydrophobicContact CG2-CG2 4.39Å; T1349-V1353 WeakPolarHBondContact O-CG2 3.39Å; T1349-V1353 PolarHBondContact O-N 2.88Å; V1353-L1356 PolarHBondContact O-N 3.26Å; V1353-N1357 WeakPolarHBondContact O-CB 3.13Å; V1353-N1357 PolarHBondContact O-N 2.65Å; V1353-V1389 HydrophobicContact CG2-CG1 4.14Å; V1353-F1392 HydrophobicContact CB-CB 4.1Å; V1353-F1392 HydrophobicContact CG1-CB 3.94Å; V1353-F1392 HydrophobicContact CG2-CB 4.2Å; V1353-V1393 HydrophobicContact CG1-CB 4.39Å; V1353-V1393 HydrophobicContact CG1-CG2 3.68Å; V1353-V1393 HydrophobicContact CG2-CG2 4.21Å |
| 1354 | K | 90.6 | Very high | 86.5 | Confident | 108 Ų | 108 | 48.5 Ų | 48.5 | 47% | 0.47 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 174.4 | -180 | 178.9 | 175.2 | 179.1 | 0 | 111.3 | K1350 C1351 I1352 L1356 N1357 D1358 | K1350-K1354 VanDerWaalsContact O-CB 3.3Å; K1350-K1354 WeakPolarHBondContact O-CB 3.47Å; K1350-K1354 PolarHBondContact O-N 2.72Å; C1351-K1354 PolarHBondContact O-N 2.82Å; I1352-K1354 VanDerWaalsContact C-N 3.28Å; I1352-K1354 PolarHBondContact O-N 3.23Å; K1354-L1356 PolarHBondContact O-N 3.29Å; K1354-N1357 PolarHBondContact O-N 3.01Å; K1354-D1358 WeakPolarHBondContact CE-OD2 3.28Å; K1354-D1358 WeakPolarHBondContact O-CB 3.39Å; K1354-D1358 PolarHBondContact O-N 3.21Å |
| 1355 | Y | 89.7 | Confident | 86.8 | Confident | 48 Ų | 48 | 43.9 Ų | 43.9 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | -179.5 | -61.4 | -28.1 | 0 | 0 | 0 | 112.9 | H1328 I1332 C1351 I1352 D1358 L1359 | H1328-Y1355 HydrophobicContact CB-CD2 3.96Å; H1328-Y1355 HydrophobicContact CB-CE1 4.17Å; H1328-Y1355 HydrophobicContact CB-CE2 3.5Å; H1328-Y1355 HydrophobicContact CB-CG 4.44Å; I1332-Y1355 HydrophobicContact CD1-CD2 4.05Å; I1332-Y1355 HydrophobicContact CD1-CE2 3.31Å; I1332-Y1355 HydrophobicContact CG1-CE2 4.06Å; C1351-Y1355 HydrophobicContact CB-CE2 4.47Å; C1351-Y1355 WeakPolarHBondContact O-CD2 3.35Å; C1351-Y1355 VanDerWaalsContact O-CG 3.28Å; C1351-Y1355 PolarHBondContact O-N 2.94Å; I1352-Y1355 PolarHBondContact O-N 2.95Å; Y1355-D1358 PolarHBondContact O-N 3.47Å; Y1355-L1359 WeakPolarHBondContact O-CB 3.23Å; Y1355-L1359 VanDerWaalsContact O-CG 3.24Å; Y1355-L1359 WeakPolarHBondContact O-CG 3.34Å; Y1355-L1359 PolarHBondContact O-N 3.35Å |
| 1356 | L | 87.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 172.6 | -74 | 175.3 | 0 | 0 | 0 | 112.2 | V1278 L1329 I1352 V1353 K1354 L1359 Y1360 M1367 | V1278-L1356 HydrophobicContact CB-CD1 4.04Å; V1278-L1356 HydrophobicContact CB-CD2 4.2Å; V1278-L1356 HydrophobicContact CG1-CD1 3.71Å; V1278-L1356 HydrophobicContact CG1-CD2 4.36Å; V1278-L1356 HydrophobicContact CG1-CG 4.44Å; V1278-L1356 HydrophobicContact CG2-CD2 4.45Å; L1329-L1356 HydrophobicContact CD2-CD2 4.04Å; I1352-L1356 HydrophobicContact CG2-CD1 4.12Å; I1352-L1356 HydrophobicContact CG2-CG 4.45Å; I1352-L1356 WeakPolarHBondContact O-CG 3.47Å; I1352-L1356 PolarHBondContact O-N 2.95Å; V1353-L1356 PolarHBondContact O-N 3.26Å; K1354-L1356 PolarHBondContact O-N 3.29Å; L1356-L1359 PolarHBondContact O-N 2.96Å; L1356-Y1360 PolarHBondContact O-N 3.15Å; L1356-M1367 HydrophobicContact CB-CE 4.08Å; L1356-M1367 HydrophobicContact CD1-CE 3.79Å |
| 1357 | N | 85.6 | Confident | 87 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.9 | -36.3 | 177.7 | -173.6 | 79.7 | 0 | 0 | 0 | 112.4 | V1353 K1354 L1359 P1361 T1364 H1396 | V1353-N1357 WeakPolarHBondContact O-CB 3.13Å; V1353-N1357 PolarHBondContact O-N 2.65Å; K1354-N1357 PolarHBondContact O-N 3.01Å; N1357-L1359 VanDerWaalsContact C-N 3.28Å; N1357-L1359 PolarHBondContact O-N 3.33Å; N1357-P1361 WeakPolarHBondContact O-CA 3.43Å; N1357-P1361 WeakPolarHBondContact O-CB 3.34Å; N1357-P1361 VanDerWaalsContact O-CD 3.31Å; N1357-P1361 WeakPolarHBondContact O-CD 3.46Å; N1357-P1361 VanDerWaalsContact O-N 3.15Å; N1357-T1364 VanDerWaalsContact OD1-CG2 3.32Å; N1357-T1364 WeakPolarHBondContact OD1-CG2 3.34Å; N1357-T1364 PolarHBondContact OD1-OG1 2.96Å; N1357-H1396 HydrophobicContact CB-CB 4.37Å; N1357-H1396 WeakPolarHBondContact OD1-CB 3.41Å |
| 1358 | D | 87.2 | Confident | 87.1 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.3 | -32.8 | 175.7 | -68 | -14.4 | 0 | 0 | 0 | 111 | P1325 K1354 Y1355 | P1325-D1358 HydrophobicContact CB-CB 4.5Å; P1325-D1358 HydrophobicContact CG-CB 4.43Å; K1354-D1358 WeakPolarHBondContact CE-OD2 3.28Å; K1354-D1358 WeakPolarHBondContact O-CB 3.39Å; K1354-D1358 PolarHBondContact O-N 3.21Å; Y1355-D1358 PolarHBondContact O-N 3.47Å |
| 1359 | L | 83.6 | Confident | 87.3 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.9 | -43.2 | 174.7 | -70.6 | 169.9 | 0 | 0 | 0 | 113 | P1325 L1326 L1329 Y1355 L1356 N1357 | P1325-L1359 HydrophobicContact CB-CD2 3.78Å; P1325-L1359 HydrophobicContact CB-CG 3.88Å; P1325-L1359 HydrophobicContact CG-CD2 4.2Å; L1326-L1359 HydrophobicContact CD1-CD2 4.49Å; L1326-L1359 HydrophobicContact CD2-CD1 3.78Å; L1326-L1359 HydrophobicContact CG-CD1 3.89Å; L1326-L1359 HydrophobicContact CG-CD2 3.82Å; L1329-L1359 HydrophobicContact CD2-CD1 4.29Å; Y1355-L1359 WeakPolarHBondContact O-CB 3.23Å; Y1355-L1359 VanDerWaalsContact O-CG 3.24Å; Y1355-L1359 WeakPolarHBondContact O-CG 3.34Å; Y1355-L1359 PolarHBondContact O-N 3.35Å; L1356-L1359 PolarHBondContact O-N 2.96Å; N1357-L1359 VanDerWaalsContact C-N 3.28Å; N1357-L1359 PolarHBondContact O-N 3.33Å |
| 1360 | Y | 85.3 | Confident | 87.3 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | trans | -135.2 | 62.4 | -167.7 | -49.9 | -58.9 | 0 | 0 | 0 | 112.5 | L1274 A1275 L1356 T1362 M1363 | L1274-Y1360 HydrophobicContact CB-CE2 4.46Å; L1274-Y1360 HydrophobicContact CD2-CE2 4.2Å; A1275-Y1360 HydrophobicContact CB-CD2 3.89Å; A1275-Y1360 HydrophobicContact CB-CE2 4.5Å; A1275-Y1360 HydrophobicContact CB-CG 4.45Å; L1356-Y1360 PolarHBondContact O-N 3.15Å; Y1360-T1362 PolarHBondContact O-N 3.29Å; Y1360-T1362 VanDerWaalsContact O-N 3.13Å; Y1360-M1363 PolarHBondContact O-N 3Å | ||
| 1361 | P | 79.4 | Confident | 87.4 | Confident | 83 Ų | 83 | 34.6 Ų | 34.6 | 54% | 0.539 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -63.9 | -22.8 | -174.8 | 25.5 | -34.6 | 0 | 0 | 0 | 113.5 | N1357 M1363 T1364 | N1357-P1361 WeakPolarHBondContact O-CA 3.43Å; N1357-P1361 WeakPolarHBondContact O-CB 3.34Å; N1357-P1361 VanDerWaalsContact O-CD 3.31Å; N1357-P1361 WeakPolarHBondContact O-CD 3.46Å; N1357-P1361 VanDerWaalsContact O-N 3.15Å; P1361-M1363 VanDerWaalsContact C-N 3.27Å; P1361-M1363 PolarHBondContact O-N 3.36Å; P1361-T1364 PolarHBondContact O-OG1 3.28Å |
| 1362 | T | 81.2 | Confident | 87.5 | Confident | 113 Ų | 113 | 33.5 Ų | 33.5 | 69% | 0.693 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -73.7 | -19.6 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | Y1360 | Y1360-T1362 PolarHBondContact O-N 3.29Å; Y1360-T1362 VanDerWaalsContact O-N 3.13Å |
| 1363 | M | 84.7 | Confident | 87.5 | Confident | 55 Ų | 55 | 36.7 Ų | 36.7 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -92.9 | -7.5 | -175 | -62.9 | -62.9 | 105.1 | 0 | 0 | 113.2 | A1275 Y1360 P1361 V1365 G1366 M1367 | A1275-M1363 HydrophobicContact CB-CB 4.45Å; Y1360-M1363 PolarHBondContact O-N 3Å; P1361-M1363 VanDerWaalsContact C-N 3.27Å; P1361-M1363 PolarHBondContact O-N 3.36Å; M1363-V1365 VanDerWaalsContact C-N 3.31Å; M1363-V1365 PolarHBondContact O-N 3.26Å; M1363-G1366 CarbonylContact O-C 3.13Å; M1363-G1366 WeakPolarHBondContact O-CA 3.35Å; M1363-G1366 PolarHBondContact O-N 3.31Å; M1363-M1367 WeakPolarHBondContact O-CG 3.44Å; M1363-M1367 PolarHBondContact O-N 2.87Å |
| 1364 | T | 86 | Confident | 87.5 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -38.8 | -172.8 | -38.9 | 0 | 0 | 0 | 0 | 113 | N1357 P1361 M1367 L1368 V1393 H1396 V1397 | N1357-T1364 VanDerWaalsContact OD1-CG2 3.32Å; N1357-T1364 WeakPolarHBondContact OD1-CG2 3.34Å; N1357-T1364 PolarHBondContact OD1-OG1 2.96Å; P1361-T1364 PolarHBondContact O-OG1 3.28Å; T1364-M1367 PolarHBondContact O-N 3.33Å; T1364-L1368 PolarHBondContact O-N 3.33Å; T1364-V1393 HydrophobicContact CG2-CG1 3.85Å; T1364-H1396 HydrophobicContact CG2-CB 3.96Å; T1364-V1397 HydrophobicContact CG2-CG2 4.07Å |
| 1365 | V | 85.8 | Confident | 87.5 | Confident | 50 Ų | 50 | 31.6 Ų | 31.6 | 30% | 0.303 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.2 | -40.1 | 174.4 | -179 | 0 | 0 | 0 | 0 | 111 | M1363 L1368 T1369 V1397 | M1363-V1365 VanDerWaalsContact C-N 3.31Å; M1363-V1365 PolarHBondContact O-N 3.26Å; V1365-L1368 PolarHBondContact O-N 3.15Å; V1365-T1369 WeakPolarHBondContact O-CB 3.41Å; V1365-T1369 PolarHBondContact O-N 3.44Å; V1365-T1369 PolarHBondContact O-OG1 3.28Å; V1365-V1397 HydrophobicContact CG2-CG1 4.18Å |
| 1366 | G | 86 | Confident | 87.5 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1276 M1363 L1368 T1369 F1370 | F1276-G1366 VanDerWaalsContact CE1-C 3.46Å; F1276-G1366 WeakPolarHBondContact CE1-O 3.44Å; M1363-G1366 CarbonylContact O-C 3.13Å; M1363-G1366 WeakPolarHBondContact O-CA 3.35Å; M1363-G1366 PolarHBondContact O-N 3.31Å; G1366-L1368 VanDerWaalsContact C-N 3.32Å; G1366-L1368 PolarHBondContact O-N 3.25Å; G1366-T1369 WeakPolarHBondContact O-CB 3.39Å; G1366-T1369 PolarHBondContact O-N 2.99Å; G1366-F1370 WeakPolarHBondContact O-CB 3.34Å; G1366-F1370 PolarHBondContact O-N 3.09Å |
| 1367 | M | 89 | Confident | 87.3 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 175.4 | -66.9 | 167 | 67 | 0 | 0 | 111.2 | T1279 L1356 M1363 T1364 F1370 L1371 V1393 | T1279-M1367 HydrophobicContact CG2-CB 4.27Å; T1279-M1367 VanDerWaalsContact OG1-CE 3.23Å; T1279-M1367 WeakPolarHBondContact OG1-CE 3.3Å; L1356-M1367 HydrophobicContact CB-CE 4.08Å; L1356-M1367 HydrophobicContact CD1-CE 3.79Å; M1363-M1367 WeakPolarHBondContact O-CG 3.44Å; M1363-M1367 PolarHBondContact O-N 2.87Å; T1364-M1367 PolarHBondContact O-N 3.33Å; M1367-F1370 PolarHBondContact O-N 3.49Å; M1367-L1371 WeakPolarHBondContact O-CB 3.12Å; M1367-L1371 VanDerWaalsContact O-CG 3.3Å; M1367-L1371 WeakPolarHBondContact O-CG 3.37Å; M1367-L1371 PolarHBondContact O-N 2.84Å; M1367-V1393 HydrophobicContact CB-CG1 4.38Å; M1367-V1393 HydrophobicContact CE-CG2 4.44Å |
| 1368 | L | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 176.7 | -170.9 | 64.4 | 0 | 0 | 0 | 111.9 | T1364 V1365 G1366 L1371 T1372 M1390 V1393 F1394 V1397 F1406 F1411 | T1364-L1368 PolarHBondContact O-N 3.33Å; V1365-L1368 PolarHBondContact O-N 3.15Å; G1366-L1368 VanDerWaalsContact C-N 3.32Å; G1366-L1368 PolarHBondContact O-N 3.25Å; L1368-L1371 PolarHBondContact O-N 3.38Å; L1368-T1372 WeakPolarHBondContact O-CB 3.34Å; L1368-T1372 PolarHBondContact O-N 3.48Å; L1368-T1372 PolarHBondContact O-OG1 3.27Å; L1368-M1390 HydrophobicContact CD1-CB 4.33Å; L1368-M1390 HydrophobicContact CD1-CG 4.18Å; L1368-V1393 HydrophobicContact CB-CG1 4.08Å; L1368-V1393 HydrophobicContact CD1-CG1 4.34Å; L1368-F1394 HydrophobicContact CD2-CD2 3.78Å; L1368-V1397 HydrophobicContact CD2-CG2 3.92Å; L1368-F1406 HydrophobicContact CD2-CE1 4.1Å; L1368-F1406 HydrophobicContact CG-CE1 4.18Å; L1368-F1411 HydrophobicContact CD1-CD2 4.08Å; L1368-F1411 HydrophobicContact CD1-CE2 3.55Å; L1368-F1411 HydrophobicContact CD1-CZ 3.88Å; L1368-F1411 HydrophobicContact CD2-CD1 4.32Å; L1368-F1411 HydrophobicContact CD2-CD2 4.36Å; L1368-F1411 HydrophobicContact CD2-CE1 4.3Å; L1368-F1411 HydrophobicContact CD2-CE2 4.33Å; L1368-F1411 HydrophobicContact CD2-CG 4.34Å; L1368-F1411 HydrophobicContact CD2-CZ 4.28Å; L1368-F1411 HydrophobicContact CG-CD2 4.15Å; L1368-F1411 HydrophobicContact CG-CE2 4.11Å; L1368-F1411 HydrophobicContact CG-CZ 4.48Å |
| 1369 | T | 90.4 | Very high | 87.1 | Confident | 36 Ų | 36 | 34.5 Ų | 34.5 | 22% | 0.221 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 175.8 | -54 | 0 | 0 | 0 | 0 | 111.1 | V1365 G1366 L1371 T1372 E1373 F1406 | V1365-T1369 WeakPolarHBondContact O-CB 3.41Å; V1365-T1369 PolarHBondContact O-N 3.44Å; V1365-T1369 PolarHBondContact O-OG1 3.28Å; G1366-T1369 WeakPolarHBondContact O-CB 3.39Å; G1366-T1369 PolarHBondContact O-N 2.99Å; T1369-L1371 PolarHBondContact O-N 3.22Å; T1369-T1372 WeakPolarHBondContact O-CB 3.38Å; T1369-T1372 PolarHBondContact O-N 3.38Å; T1369-T1372 VanDerWaalsContact O-N 3.12Å; T1369-E1373 PolarHBondContact O-N 3.39Å; T1369-F1406 VanDerWaalsContact CA-CZ 3.46Å; T1369-F1406 HydrophobicContact CG2-CD2 4.37Å; T1369-F1406 HydrophobicContact CG2-CE2 3.72Å; T1369-F1406 HydrophobicContact CG2-CZ 4.26Å |
| 1370 | F | 90.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 177.9 | 179.1 | -126.6 | 0 | 0 | 0 | 112.2 | L1238 C1241 T1242 F1276 T1279 G1366 M1367 T1372 E1373 I1374 | L1238-F1370 HydrophobicContact CB-CE2 4.29Å; L1238-F1370 HydrophobicContact CB-CZ 3.96Å; L1238-F1370 HydrophobicContact CD2-CE1 4.24Å; L1238-F1370 HydrophobicContact CD2-CZ 3.96Å; L1238-F1370 VanDerWaalsContact O-CE2 3.3Å; L1238-F1370 WeakPolarHBondContact O-CE2 3.46Å; L1238-F1370 WeakPolarHBondContact O-CZ 3.44Å; C1241-F1370 HydrophobicContact CB-CE2 4.44Å; C1241-F1370 HydrophobicContact CB-CZ 3.88Å; T1242-F1370 HydrophobicContact CG2-CE2 4.43Å; F1276-F1370 HydrophobicContact CD1-CB 4.17Å; F1276-F1370 HydrophobicContact CD1-CD1 4.14Å; F1276-F1370 HydrophobicContact CD1-CG 4.28Å; F1276-F1370 HydrophobicContact CE1-CB 4.07Å; T1279-F1370 HydrophobicContact CG2-CD1 3.94Å; G1366-F1370 WeakPolarHBondContact O-CB 3.34Å; G1366-F1370 PolarHBondContact O-N 3.09Å; M1367-F1370 PolarHBondContact O-N 3.49Å; F1370-T1372 PolarHBondContact O-N 2.85Å; F1370-E1373 PolarHBondContact O-N 3.36Å; F1370-I1374 HydrophobicContact CD1-CD1 4.05Å; F1370-I1374 HydrophobicContact CD2-CD1 4.44Å; F1370-I1374 HydrophobicContact CE1-CD1 3.7Å; F1370-I1374 HydrophobicContact CE2-CD1 4.1Å; F1370-I1374 HydrophobicContact CE2-CG1 4.28Å; F1370-I1374 HydrophobicContact CG-CD1 4.42Å; F1370-I1374 HydrophobicContact CZ-CD1 3.73Å; F1370-I1374 HydrophobicContact CZ-CG1 4.37Å; F1370-I1374 WeakPolarHBondContact O-CG1 3.31Å; F1370-I1374 PolarHBondContact O-N 3.49Å |
| 1371 | L | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 175.1 | -70.9 | 166.5 | 0 | 0 | 0 | 111.7 | T1279 P1283 M1367 L1368 T1369 E1373 I1374 L1375 V1386 V1389 M1390 V1393 | T1279-L1371 HydrophobicContact CG2-CD1 3.92Å; T1279-L1371 HydrophobicContact CG2-CD2 3.75Å; T1279-L1371 HydrophobicContact CG2-CG 3.62Å; P1283-L1371 HydrophobicContact CG-CD2 4.31Å; M1367-L1371 WeakPolarHBondContact O-CB 3.12Å; M1367-L1371 VanDerWaalsContact O-CG 3.3Å; M1367-L1371 WeakPolarHBondContact O-CG 3.37Å; M1367-L1371 PolarHBondContact O-N 2.84Å; L1368-L1371 PolarHBondContact O-N 3.38Å; T1369-L1371 PolarHBondContact O-N 3.22Å; L1371-E1373 VanDerWaalsContact C-N 3.32Å; L1371-E1373 PolarHBondContact O-N 2.92Å; L1371-I1374 HydrophobicContact CD2-CD1 4.48Å; L1371-I1374 PolarHBondContact O-N 3.34Å; L1371-L1375 PolarHBondContact O-N 3.25Å; L1371-V1386 HydrophobicContact CB-CG1 4.28Å; L1371-V1386 HydrophobicContact CD2-CG1 4.2Å; L1371-V1389 HydrophobicContact CD1-CB 4.32Å; L1371-V1389 HydrophobicContact CD1-CG1 3.63Å; L1371-V1389 HydrophobicContact CD2-CB 4.5Å; L1371-V1389 HydrophobicContact CD2-CG1 4.23Å; L1371-M1390 HydrophobicContact CB-CE 3.71Å; L1371-M1390 HydrophobicContact CB-CG 3.83Å; L1371-M1390 HydrophobicContact CD1-CG 4.17Å; L1371-M1390 WeakPolarHBondContact O-CE 3.37Å; L1371-V1393 HydrophobicContact CD1-CG2 4.05Å |
| 1372 | T | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 178.7 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | L1368 T1369 F1370 L1375 D1376 Y1410 F1411 V1414 | L1368-T1372 WeakPolarHBondContact O-CB 3.34Å; L1368-T1372 PolarHBondContact O-N 3.48Å; L1368-T1372 PolarHBondContact O-OG1 3.27Å; T1369-T1372 WeakPolarHBondContact O-CB 3.38Å; T1369-T1372 PolarHBondContact O-N 3.38Å; T1369-T1372 VanDerWaalsContact O-N 3.12Å; F1370-T1372 PolarHBondContact O-N 2.85Å; T1372-L1375 PolarHBondContact O-N 2.84Å; T1372-D1376 WeakPolarHBondContact O-CB 3.28Å; T1372-D1376 PolarHBondContact O-N 3.47Å; T1372-Y1410 HydrophobicContact CG2-CD1 3.64Å; T1372-Y1410 HydrophobicContact CG2-CE1 3.51Å; T1372-Y1410 HydrophobicContact CG2-CG 4.43Å; T1372-F1411 HydrophobicContact CG2-CB 4.35Å; T1372-F1411 HydrophobicContact CG2-CD2 4.27Å; T1372-F1411 VanDerWaalsContact OG1-CD2 3.31Å; T1372-F1411 WeakPolarHBondContact OG1-CD2 3.28Å; T1372-V1414 HydrophobicContact CG2-CB 4.07Å; T1372-V1414 HydrophobicContact CG2-CG1 4.38Å; T1372-V1414 HydrophobicContact CG2-CG2 4.03Å |
| 1373 | E | 89.5 | Confident | 88.1 | Confident | 68 Ų | 68 | 31.7 Ų | 31.7 | 32% | 0.318 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.6 | -40.1 | 173.8 | -68.4 | 175.4 | 170.3 | 0 | 0 | 112.2 | T1242 T1369 F1370 L1371 L1375 D1376 R1377 Y1410 | T1242-E1373 HydrophobicContact CG2-CB 3.92Å; T1369-E1373 PolarHBondContact O-N 3.39Å; F1370-E1373 PolarHBondContact O-N 3.36Å; L1371-E1373 VanDerWaalsContact C-N 3.32Å; L1371-E1373 PolarHBondContact O-N 2.92Å; E1373-L1375 VanDerWaalsContact C-N 3.3Å; E1373-L1375 PolarHBondContact O-N 3.17Å; E1373-D1376 PolarHBondContact O-N 3.06Å; E1373-R1377 PolarHBondContact O-N 3.47Å; E1373-Y1410 HydrophobicContact CG-CE1 4.28Å |
| 1374 | I | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 173.6 | -61.4 | 171.1 | 0 | 0 | 0 | 110.8 | C1241 T1242 Y1247 F1370 L1371 G1378 V1386 | C1241-I1374 HydrophobicContact CB-CD1 4.06Å; C1241-I1374 HydrophobicContact CB-CG1 4.29Å; C1241-I1374 WeakPolarHBondContact O-CG1 3.45Å; T1242-I1374 HydrophobicContact CG2-CG1 4.18Å; Y1247-I1374 HydrophobicContact CE2-CG2 4.3Å; F1370-I1374 HydrophobicContact CD1-CD1 4.05Å; F1370-I1374 HydrophobicContact CD2-CD1 4.44Å; F1370-I1374 HydrophobicContact CE1-CD1 3.7Å; F1370-I1374 HydrophobicContact CE2-CD1 4.1Å; F1370-I1374 HydrophobicContact CE2-CG1 4.28Å; F1370-I1374 HydrophobicContact CG-CD1 4.42Å; F1370-I1374 HydrophobicContact CZ-CD1 3.73Å; F1370-I1374 HydrophobicContact CZ-CG1 4.37Å; F1370-I1374 WeakPolarHBondContact O-CG1 3.31Å; F1370-I1374 PolarHBondContact O-N 3.49Å; L1371-I1374 HydrophobicContact CD2-CD1 4.48Å; L1371-I1374 PolarHBondContact O-N 3.34Å; I1374-G1378 WeakPolarHBondContact O-CA 3.38Å; I1374-G1378 PolarHBondContact O-N 2.87Å; I1374-V1386 HydrophobicContact CG2-CG2 3.74Å |
| 1375 | L | 91.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.6 | -34.9 | 178.8 | -174.7 | 64.3 | 0 | 0 | 0 | 112.9 | L1371 T1372 E1373 H1383 V1386 L1387 M1390 V1414 V1415 | L1371-L1375 PolarHBondContact O-N 3.25Å; T1372-L1375 PolarHBondContact O-N 2.84Å; E1373-L1375 VanDerWaalsContact C-N 3.3Å; E1373-L1375 PolarHBondContact O-N 3.17Å; L1375-H1383 HydrophobicContact CD1-CB 3.91Å; L1375-H1383 PolarHBondContact O-NE2 2.91Å; L1375-V1386 HydrophobicContact CB-CG1 3.94Å; L1375-V1386 HydrophobicContact CD1-CG1 4.45Å; L1375-L1387 HydrophobicContact CD1-CD1 4.44Å; L1375-L1387 HydrophobicContact CD1-CD2 4.36Å; L1375-L1387 HydrophobicContact CD1-CG 4.03Å; L1375-L1387 HydrophobicContact CD2-CD2 3.57Å; L1375-L1387 HydrophobicContact CD2-CG 4.13Å; L1375-M1390 HydrophobicContact CB-CE 3.66Å; L1375-M1390 HydrophobicContact CD2-CE 3.72Å; L1375-M1390 HydrophobicContact CD2-SD 3.75Å; L1375-M1390 HydrophobicContact CG-CE 4.33Å; L1375-V1414 HydrophobicContact CB-CG1 4.29Å; L1375-V1414 HydrophobicContact CD2-CG1 3.94Å; L1375-V1414 HydrophobicContact CG-CG1 4.01Å; L1375-V1415 HydrophobicContact CD2-CG2 4.37Å |
| 1376 | D | 89.2 | Confident | 89.1 | Confident | 54 Ų | 54 | 29.2 Ų | 29.2 | 29% | 0.289 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -78.3 | -34.4 | -178.3 | -166.1 | 47.1 | 0 | 0 | 0 | 112.4 | T1372 E1373 Y1410 V1414 R1417 | T1372-D1376 WeakPolarHBondContact O-CB 3.28Å; T1372-D1376 PolarHBondContact O-N 3.47Å; E1373-D1376 PolarHBondContact O-N 3.06Å; D1376-Y1410 PolarHBondContact OD2-OH 2.84Å; D1376-V1414 HydrophobicContact CB-CG1 3.99Å; D1376-V1414 HydrophobicContact CB-CG2 4.05Å; D1376-R1417 IonicContact OD1-NH1 2.84Å; D1376-R1417 PolarHBondContact OD1-NH1 2.77Å |
| 1377 | R | 84.1 | Confident | 89.4 | Confident | 129 Ų | 129 | 28 Ų | 28 | 49% | 0.487 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -120.4 | -18.5 | -171.5 | -60 | -176.7 | 178.3 | -138.2 | -4.8 | 115.6 | T1242 E1373 | T1242-R1377 CarbonylContact O-C 3.59Å; T1242-R1377 VanDerWaalsContact O-CB 3.32Å; T1242-R1377 WeakPolarHBondContact O-CB 3.34Å; T1242-R1377 VanDerWaalsContact O-O 3.05Å; E1373-R1377 PolarHBondContact O-N 3.47Å |
| 1378 | G | 84.5 | Confident | 89.5 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -77.4 | -170.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1242 S1244 I1374 | T1242-G1378 WeakPolarHBondContact O-CA 3.44Å; T1242-G1378 PolarHBondContact O-N 2.73Å; S1244-G1378 PolarHBondContact OG-O 3.46Å; I1374-G1378 WeakPolarHBondContact O-CA 3.38Å; I1374-G1378 PolarHBondContact O-N 2.87Å |
| 1379 | S | 84 | Confident | 89.6 | Confident | 25 Ų | 25 | 29.5 Ų | 29.5 | 18% | 0.175 | 16% | 0.162 | C | C | . | . | trans | -69.9 | 133 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | S1381 L1382 H1383 | S1379-S1381 PolarHBondContact O-N 3.2Å; S1379-S1381 VanDerWaalsContact O-N 3.11Å; S1379-S1381 PolarHBondContact OG-OG 3.22Å; S1379-L1382 WeakPolarHBondContact O-CB 3.34Å; S1379-L1382 PolarHBondContact O-N 3.32Å; S1379-H1383 PolarHBondContact O-CD2 3.42Å | ||
| 1380 | P | 84.4 | Confident | 89.7 | Confident | 89 Ų | 89 | 27.8 Ų | 27.8 | 58% | 0.578 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -56.8 | -27.9 | 176.7 | -25.5 | 33.7 | 0 | 0 | 0 | 114.5 | L1382 H1383 | P1380-L1382 PolarHBondContact O-N 2.79Å; P1380-H1383 WeakPolarHBondContact O-CB 3.3Å; P1380-H1383 PolarHBondContact O-N 2.98Å |
| 1381 | S | 85 | Confident | 89.8 | Confident | 81 Ų | 81 | 31.2 Ų | 31.2 | 57% | 0.566 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -63.4 | -23.1 | 176.7 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | S1379 | S1379-S1381 PolarHBondContact O-N 3.2Å; S1379-S1381 VanDerWaalsContact O-N 3.11Å; S1379-S1381 PolarHBondContact OG-OG 3.22Å |
| 1382 | L | 88.1 | Confident | 89.8 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -88.4 | -15.9 | -179.5 | -61.8 | 161.8 | 0 | 0 | 0 | 113.5 | Y1247 P1283 I1287 S1379 P1380 T1384 A1385 V1386 | Y1247-L1382 HydrophobicContact CD1-CD1 3.79Å; Y1247-L1382 HydrophobicContact CD1-CD2 4.22Å; Y1247-L1382 HydrophobicContact CD2-CD1 3.27Å; Y1247-L1382 HydrophobicContact CE1-CD1 3.86Å; Y1247-L1382 HydrophobicContact CE1-CD2 3.77Å; Y1247-L1382 HydrophobicContact CE1-CG 4.5Å; Y1247-L1382 HydrophobicContact CE2-CD1 3.37Å; Y1247-L1382 HydrophobicContact CE2-CD2 4.44Å; Y1247-L1382 HydrophobicContact CG-CD1 3.51Å; P1283-L1382 HydrophobicContact CB-CD2 4.48Å; I1287-L1382 HydrophobicContact CD1-CB 4.26Å; I1287-L1382 HydrophobicContact CD1-CD2 3.15Å; I1287-L1382 HydrophobicContact CD1-CG 4.03Å; S1379-L1382 WeakPolarHBondContact O-CB 3.34Å; S1379-L1382 PolarHBondContact O-N 3.32Å; P1380-L1382 PolarHBondContact O-N 2.79Å; L1382-T1384 VanDerWaalsContact C-N 3.32Å; L1382-T1384 PolarHBondContact O-N 3.49Å; L1382-A1385 PolarHBondContact O-N 3.37Å; L1382-A1385 VanDerWaalsContact O-N 3.09Å; L1382-V1386 HydrophobicContact CB-CG2 4.16Å; L1382-V1386 VanDerWaalsContact O-CG2 3.32Å; L1382-V1386 WeakPolarHBondContact O-CG2 3.47Å; L1382-V1386 PolarHBondContact O-N 2.95Å |
| 1383 | H | 92.3 | Very high | 89.8 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.1 | -42.7 | -168.6 | -71.3 | 177.3 | 0 | 0 | 0 | 113.1 | L1375 S1379 P1380 V1386 L1387 H1418 N1423 | L1375-H1383 HydrophobicContact CD1-CB 3.91Å; L1375-H1383 PolarHBondContact O-NE2 2.91Å; S1379-H1383 PolarHBondContact O-CD2 3.42Å; P1380-H1383 WeakPolarHBondContact O-CB 3.3Å; P1380-H1383 PolarHBondContact O-N 2.98Å; H1383-V1386 PolarHBondContact O-N 3.37Å; H1383-L1387 WeakPolarHBondContact O-CB 3.3Å; H1383-L1387 WeakPolarHBondContact O-CD1 3.45Å; H1383-L1387 VanDerWaalsContact O-CG 3.22Å; H1383-L1387 WeakPolarHBondContact O-CG 3.4Å; H1383-L1387 PolarHBondContact O-N 2.74Å; H1383-H1418 AromaticContact CE1-CE1 3.71Å; H1383-H1418 AromaticContact ND1-CE1 3.51Å; H1383-N1423 WeakPolarHBondContact CB-ND2 3.47Å |
| 1384 | T | 91.7 | Very high | 89.8 | Confident | 56 Ų | 56 | 29.5 Ų | 29.5 | 34% | 0.344 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 179.3 | -45.2 | 0 | 0 | 0 | 0 | 111.5 | L1382 Q1388 N1423 E1426 | L1382-T1384 VanDerWaalsContact C-N 3.32Å; L1382-T1384 PolarHBondContact O-N 3.49Å; T1384-Q1388 WeakPolarHBondContact O-CB 3.4Å; T1384-Q1388 PolarHBondContact O-N 2.94Å; T1384-N1423 PolarHBondContact OG1-OD1 3.35Å; T1384-N1423 VanDerWaalsContact OG1-OD1 3.13Å; T1384-E1426 HydrophobicContact CG2-CG 4.23Å |
| 1385 | A | 91.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | P1283 I1286 I1287 L1382 Q1388 V1389 | P1283-A1385 HydrophobicContact CB-CB 4.15Å; I1286-A1385 HydrophobicContact CB-CB 3.91Å; I1286-A1385 HydrophobicContact CG2-CB 3.56Å; I1287-A1385 HydrophobicContact CD1-CB 4.03Å; I1287-A1385 HydrophobicContact CG1-CB 3.77Å; L1382-A1385 PolarHBondContact O-N 3.37Å; L1382-A1385 VanDerWaalsContact O-N 3.09Å; A1385-Q1388 WeakPolarHBondContact O-CB 3.43Å; A1385-Q1388 PolarHBondContact O-N 3.32Å; A1385-V1389 WeakPolarHBondContact O-CG2 3.3Å; A1385-V1389 PolarHBondContact O-N 2.98Å |
| 1386 | V | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 177.7 | 174 | 0 | 0 | 0 | 0 | 110.9 | P1283 L1371 I1374 L1375 L1382 H1383 Q1388 V1389 M1390 | P1283-V1386 HydrophobicContact CB-CG2 3.89Å; P1283-V1386 HydrophobicContact CG-CG2 3.95Å; L1371-V1386 HydrophobicContact CB-CG1 4.28Å; L1371-V1386 HydrophobicContact CD2-CG1 4.2Å; I1374-V1386 HydrophobicContact CG2-CG2 3.74Å; L1375-V1386 HydrophobicContact CB-CG1 3.94Å; L1375-V1386 HydrophobicContact CD1-CG1 4.45Å; L1382-V1386 HydrophobicContact CB-CG2 4.16Å; L1382-V1386 VanDerWaalsContact O-CG2 3.32Å; L1382-V1386 WeakPolarHBondContact O-CG2 3.47Å; L1382-V1386 PolarHBondContact O-N 2.95Å; H1383-V1386 PolarHBondContact O-N 3.37Å; V1386-Q1388 VanDerWaalsContact C-N 3.31Å; V1386-Q1388 PolarHBondContact O-N 3.2Å; V1386-V1389 PolarHBondContact O-N 3.07Å; V1386-M1390 HydrophobicContact CG1-CE 3.73Å; V1386-M1390 HydrophobicContact CG1-CG 4.31Å; V1386-M1390 HydrophobicContact CG1-SD 4.22Å; V1386-M1390 WeakPolarHBondContact O-CB 3.34Å; V1386-M1390 VanDerWaalsContact O-CG 3.28Å; V1386-M1390 WeakPolarHBondContact O-CG 3.26Å; V1386-M1390 PolarHBondContact O-N 2.87Å |
| 1387 | L | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -38.9 | 176.1 | -73 | 165.3 | 0 | 0 | 0 | 111.9 | L1375 H1383 M1390 K1391 H1418 N1423 E1426 A1427 I1430 | L1375-L1387 HydrophobicContact CD1-CD1 4.44Å; L1375-L1387 HydrophobicContact CD1-CD2 4.36Å; L1375-L1387 HydrophobicContact CD1-CG 4.03Å; L1375-L1387 HydrophobicContact CD2-CD2 3.57Å; L1375-L1387 HydrophobicContact CD2-CG 4.13Å; H1383-L1387 WeakPolarHBondContact O-CB 3.3Å; H1383-L1387 WeakPolarHBondContact O-CD1 3.45Å; H1383-L1387 VanDerWaalsContact O-CG 3.22Å; H1383-L1387 WeakPolarHBondContact O-CG 3.4Å; H1383-L1387 PolarHBondContact O-N 2.74Å; L1387-M1390 HydrophobicContact CD2-SD 4.29Å; L1387-M1390 PolarHBondContact O-N 2.86Å; L1387-K1391 WeakPolarHBondContact O-CB 3.28Å; L1387-K1391 PolarHBondContact O-N 3.19Å; L1387-H1418 HydrophobicContact CD1-CB 4.37Å; L1387-N1423 HydrophobicContact CD1-CB 3.64Å; L1387-E1426 HydrophobicContact CB-CB 3.68Å; L1387-E1426 HydrophobicContact CD1-CB 4.15Å; L1387-A1427 HydrophobicContact CD2-CB 4.46Å; L1387-I1430 HydrophobicContact CB-CD1 4.3Å; L1387-I1430 HydrophobicContact CD2-CD1 3.57Å |
| 1388 | Q | 90.9 | Very high | 89 | Confident | 33 Ų | 33 | 35 Ų | 35 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.6 | 179.8 | 176.6 | -37.4 | 0 | 0 | 111.9 | T1349 T1384 A1385 V1386 F1392 | T1349-Q1388 PolarHBondContact OG1-NE2 3.46Å; T1384-Q1388 WeakPolarHBondContact O-CB 3.4Å; T1384-Q1388 PolarHBondContact O-N 2.94Å; A1385-Q1388 WeakPolarHBondContact O-CB 3.43Å; A1385-Q1388 PolarHBondContact O-N 3.32Å; V1386-Q1388 VanDerWaalsContact C-N 3.31Å; V1386-Q1388 PolarHBondContact O-N 3.2Å; Q1388-F1392 HydrophobicContact CG-CE2 4.01Å; Q1388-F1392 WeakPolarHBondContact O-CD2 3.48Å |
| 1389 | V | 93.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 176 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | L1282 I1286 T1349 V1353 L1371 A1385 V1386 K1391 F1392 V1393 | L1282-V1389 HydrophobicContact CD2-CB 4.5Å; L1282-V1389 HydrophobicContact CD2-CG1 3.87Å; L1282-V1389 HydrophobicContact CD2-CG2 3.73Å; L1282-V1389 HydrophobicContact CG-CG2 3.89Å; I1286-V1389 HydrophobicContact CD1-CG2 3.4Å; T1349-V1389 HydrophobicContact CG2-CG2 3.94Å; V1353-V1389 HydrophobicContact CG2-CG1 4.14Å; L1371-V1389 HydrophobicContact CD1-CB 4.32Å; L1371-V1389 HydrophobicContact CD1-CG1 3.63Å; L1371-V1389 HydrophobicContact CD2-CB 4.5Å; L1371-V1389 HydrophobicContact CD2-CG1 4.23Å; A1385-V1389 WeakPolarHBondContact O-CG2 3.3Å; A1385-V1389 PolarHBondContact O-N 2.98Å; V1386-V1389 PolarHBondContact O-N 3.07Å; V1389-K1391 VanDerWaalsContact C-N 3.27Å; V1389-K1391 PolarHBondContact O-N 3.13Å; V1389-F1392 PolarHBondContact O-N 3.23Å; V1389-V1393 HydrophobicContact CG1-CG2 4Å; V1389-V1393 WeakPolarHBondContact O-CG2 3.46Å; V1389-V1393 PolarHBondContact O-N 3.24Å |
| 1390 | M | 93.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.4 | -42.6 | 178.2 | -77.1 | 178.9 | 171 | 0 | 0 | 112.4 | L1368 L1371 L1375 V1386 L1387 F1392 V1393 F1394 F1411 V1415 I1430 | L1368-M1390 HydrophobicContact CD1-CB 4.33Å; L1368-M1390 HydrophobicContact CD1-CG 4.18Å; L1371-M1390 HydrophobicContact CB-CE 3.71Å; L1371-M1390 HydrophobicContact CB-CG 3.83Å; L1371-M1390 HydrophobicContact CD1-CG 4.17Å; L1371-M1390 WeakPolarHBondContact O-CE 3.37Å; L1375-M1390 HydrophobicContact CB-CE 3.66Å; L1375-M1390 HydrophobicContact CD2-CE 3.72Å; L1375-M1390 HydrophobicContact CD2-SD 3.75Å; L1375-M1390 HydrophobicContact CG-CE 4.33Å; V1386-M1390 HydrophobicContact CG1-CE 3.73Å; V1386-M1390 HydrophobicContact CG1-CG 4.31Å; V1386-M1390 HydrophobicContact CG1-SD 4.22Å; V1386-M1390 WeakPolarHBondContact O-CB 3.34Å; V1386-M1390 VanDerWaalsContact O-CG 3.28Å; V1386-M1390 WeakPolarHBondContact O-CG 3.26Å; V1386-M1390 PolarHBondContact O-N 2.87Å; L1387-M1390 HydrophobicContact CD2-SD 4.29Å; L1387-M1390 PolarHBondContact O-N 2.86Å; M1390-F1392 VanDerWaalsContact C-N 3.27Å; M1390-F1392 PolarHBondContact O-N 2.83Å; M1390-V1393 PolarHBondContact O-N 2.7Å; M1390-F1394 WeakPolarHBondContact O-CB 3.42Å; M1390-F1394 PolarHBondContact O-N 2.92Å; M1390-F1411 HydrophobicContact CB-CE2 4.47Å; M1390-F1411 HydrophobicContact CE-CE2 4.44Å; M1390-F1411 HydrophobicContact CG-CE2 4.36Å; M1390-F1411 HydrophobicContact SD-CE2 3.84Å; M1390-V1415 HydrophobicContact SD-CG2 4.41Å; M1390-I1430 HydrophobicContact CB-CD1 3.84Å; M1390-I1430 HydrophobicContact SD-CD1 4.35Å |
| 1391 | K | 92.4 | Very high | 87.3 | Confident | 76 Ų | 76 | 38.1 Ų | 38.1 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -53.9 | -45.4 | 176.7 | 178.7 | -174.5 | 175.7 | 178.9 | 0 | 111.6 | L1387 V1389 V1395 A1429 I1430 | L1387-K1391 WeakPolarHBondContact O-CB 3.28Å; L1387-K1391 PolarHBondContact O-N 3.19Å; V1389-K1391 VanDerWaalsContact C-N 3.27Å; V1389-K1391 PolarHBondContact O-N 3.13Å; K1391-V1395 WeakPolarHBondContact O-CG2 3.15Å; K1391-A1429 HydrophobicContact CD-CB 3.92Å; K1391-I1430 HydrophobicContact CB-CG1 3.88Å |
| 1392 | F | 92.6 | Very high | 86.4 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.9 | -38.2 | -179.8 | -63.5 | -61 | 0 | 0 | 0 | 112.3 | T1349 K1350 V1353 Q1388 V1389 M1390 V1395 H1396 | T1349-F1392 HydrophobicContact CG2-CD2 3.79Å; T1349-F1392 HydrophobicContact CG2-CE2 4.13Å; K1350-F1392 HydrophobicContact CB-CD1 3.99Å; K1350-F1392 HydrophobicContact CB-CD2 4.5Å; K1350-F1392 HydrophobicContact CB-CE1 3.83Å; K1350-F1392 HydrophobicContact CB-CE2 4.35Å; K1350-F1392 HydrophobicContact CB-CG 4.33Å; K1350-F1392 HydrophobicContact CB-CZ 4.02Å; K1350-F1392 HydrophobicContact CD-CD1 4.38Å; K1350-F1392 HydrophobicContact CD-CE1 4.01Å; K1350-F1392 HydrophobicContact CG-CD1 3.91Å; K1350-F1392 HydrophobicContact CG-CE1 3.94Å; V1353-F1392 HydrophobicContact CB-CB 4.1Å; V1353-F1392 HydrophobicContact CG1-CB 3.94Å; V1353-F1392 HydrophobicContact CG2-CB 4.2Å; Q1388-F1392 HydrophobicContact CG-CE2 4.01Å; Q1388-F1392 WeakPolarHBondContact O-CD2 3.48Å; V1389-F1392 PolarHBondContact O-N 3.23Å; M1390-F1392 VanDerWaalsContact C-N 3.27Å; M1390-F1392 PolarHBondContact O-N 2.83Å; F1392-V1395 PolarHBondContact O-N 3.35Å; F1392-H1396 PolarHBondContact O-CD2 3.44Å; F1392-H1396 VanDerWaalsContact O-CD2 3.22Å |
| 1393 | V | 91 | Very high | 85.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -44 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110.7 | V1353 T1364 M1367 L1368 L1371 V1389 M1390 V1395 H1396 V1397 | V1353-V1393 HydrophobicContact CG1-CB 4.39Å; V1353-V1393 HydrophobicContact CG1-CG2 3.68Å; V1353-V1393 HydrophobicContact CG2-CG2 4.21Å; T1364-V1393 HydrophobicContact CG2-CG1 3.85Å; M1367-V1393 HydrophobicContact CB-CG1 4.38Å; M1367-V1393 HydrophobicContact CE-CG2 4.44Å; L1368-V1393 HydrophobicContact CB-CG1 4.08Å; L1368-V1393 HydrophobicContact CD1-CG1 4.34Å; L1371-V1393 HydrophobicContact CD1-CG2 4.05Å; V1389-V1393 HydrophobicContact CG1-CG2 4Å; V1389-V1393 WeakPolarHBondContact O-CG2 3.46Å; V1389-V1393 PolarHBondContact O-N 3.24Å; M1390-V1393 PolarHBondContact O-N 2.7Å; V1393-V1395 PolarHBondContact O-N 3.17Å; V1393-H1396 PolarHBondContact O-N 3.3Å; V1393-V1397 PolarHBondContact O-N 3.15Å |
| 1394 | F | 89.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.4 | -24.8 | -178 | -174.6 | -112.2 | 0 | 0 | 0 | 113.5 | L1368 M1390 H1396 V1397 F1399 I1407 F1411 I1430 V1433 A1434 R1437 | L1368-F1394 HydrophobicContact CD2-CD2 3.78Å; M1390-F1394 WeakPolarHBondContact O-CB 3.42Å; M1390-F1394 PolarHBondContact O-N 2.92Å; F1394-H1396 PolarHBondContact O-N 3.36Å; F1394-V1397 PolarHBondContact O-N 3.29Å; F1394-F1399 HydrophobicContact CE2-CE1 4.24Å; F1394-F1399 HydrophobicContact CE2-CZ 4.5Å; F1394-F1399 HydrophobicContact CZ-CE1 4.1Å; F1394-F1399 HydrophobicContact CZ-CZ 4.09Å; F1394-I1407 HydrophobicContact CE2-CD1 4.1Å; F1394-I1407 HydrophobicContact CE2-CG1 4.36Å; F1394-I1407 HydrophobicContact CE2-CG2 4.18Å; F1394-F1411 HydrophobicContact CB-CZ 4.41Å; F1394-F1411 HydrophobicContact CD2-CD1 4.36Å; F1394-F1411 AromaticContact CD2-CE1 3.57Å; F1394-F1411 HydrophobicContact CD2-CE1 3.57Å; F1394-F1411 HydrophobicContact CD2-CZ 4.06Å; F1394-F1411 HydrophobicContact CE2-CD1 4.21Å; F1394-F1411 AromaticContact CE2-CE1 3.67Å; F1394-F1411 HydrophobicContact CE2-CE1 3.67Å; F1394-F1411 HydrophobicContact CG-CE1 4.03Å; F1394-F1411 HydrophobicContact CG-CZ 4.2Å; F1394-F1411 HydrophobicContact CZ-CE1 4.22Å; F1394-I1430 HydrophobicContact CD1-CG2 4.37Å; F1394-V1433 HydrophobicContact CD1-CB 4.21Å; F1394-V1433 HydrophobicContact CD1-CG1 3.71Å; F1394-V1433 HydrophobicContact CE1-CB 4.43Å; F1394-V1433 HydrophobicContact CE1-CG1 4Å; F1394-A1434 HydrophobicContact CE1-CB 3.65Å; F1394-A1434 HydrophobicContact CZ-CB 3.85Å; F1394-R1437 PolarHBondContact O-NH1 3.12Å |
| 1395 | V | 88.6 | Confident | 84.2 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 42% | 0.424 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.8 | -25.9 | 171.9 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | K1391 F1392 V1393 V1433 R1437 | K1391-V1395 WeakPolarHBondContact O-CG2 3.15Å; F1392-V1395 PolarHBondContact O-N 3.35Å; V1393-V1395 PolarHBondContact O-N 3.17Å; V1395-V1433 HydrophobicContact CG2-CG1 3.97Å; V1395-V1433 HydrophobicContact CG2-CG2 4.46Å; V1395-R1437 VanDerWaalsContact C-NH1 3.29Å; V1395-R1437 PolarHBondContact O-NH1 3.29Å |
| 1396 | H | 85.9 | Confident | 83.8 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -98.9 | -9.2 | -177.9 | -64.5 | -72.4 | 0 | 0 | 0 | 114.1 | N1357 T1364 F1392 V1393 F1394 E1398 | N1357-H1396 HydrophobicContact CB-CB 4.37Å; N1357-H1396 WeakPolarHBondContact OD1-CB 3.41Å; T1364-H1396 HydrophobicContact CG2-CB 3.96Å; F1392-H1396 PolarHBondContact O-CD2 3.44Å; F1392-H1396 VanDerWaalsContact O-CD2 3.22Å; V1393-H1396 PolarHBondContact O-N 3.3Å; F1394-H1396 PolarHBondContact O-N 3.36Å; H1396-E1398 PolarHBondContact O-N 3.12Å |
| 1397 | V | 84.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | trans | -67.4 | 131.4 | 179.8 | 174.1 | 0 | 0 | 0 | 0 | 111 | T1364 V1365 L1368 V1393 F1394 C1403 I1407 R1437 | T1364-V1397 HydrophobicContact CG2-CG2 4.07Å; V1365-V1397 HydrophobicContact CG2-CG1 4.18Å; L1368-V1397 HydrophobicContact CD2-CG2 3.92Å; V1393-V1397 PolarHBondContact O-N 3.15Å; F1394-V1397 PolarHBondContact O-N 3.29Å; V1397-C1403 WeakPolarHBondContact CG1-SG 3.26Å; V1397-I1407 HydrophobicContact CG1-CD1 4.01Å; V1397-R1437 VanDerWaalsContact O-CZ 3.3Å; V1397-R1437 PolarHBondContact O-NH1 2.83Å; V1397-R1437 PolarHBondContact O-NH2 3.36Å | ||
| 1398 | E | 77.7 | Confident | 82.5 | Confident | 163 Ų | 163 | 45 Ų | 45 | 76% | 0.762 | 25% | 0.247 | S | C | * | . | trans | -89.5 | 130.5 | 170.8 | -68.4 | -172.6 | 169.4 | 0 | 0 | 110.3 | H1396 S1400 | H1396-E1398 PolarHBondContact O-N 3.12Å; E1398-S1400 PolarHBondContact O-N 3.24Å | ||
| 1399 | F | 75 | Confident | 82 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 20% | 0.202 | 25% | 0.252 | C | S | . | . | trans | -82.2 | 79 | -176.7 | -61.8 | -76.4 | 0 | 0 | 0 | 111.5 | F1394 L1404 I1407 R1437 F1441 | F1394-F1399 HydrophobicContact CE2-CE1 4.24Å; F1394-F1399 HydrophobicContact CE2-CZ 4.5Å; F1394-F1399 HydrophobicContact CZ-CE1 4.1Å; F1394-F1399 HydrophobicContact CZ-CZ 4.09Å; F1399-L1404 HydrophobicContact CB-CD1 4.48Å; F1399-L1404 HydrophobicContact CB-CD2 4.18Å; F1399-L1404 HydrophobicContact CB-CG 4.22Å; F1399-L1404 HydrophobicContact CD1-CD2 3.65Å; F1399-L1404 HydrophobicContact CD1-CG 4.41Å; F1399-L1404 HydrophobicContact CE1-CD2 4.44Å; F1399-L1404 HydrophobicContact CG-CD2 4.28Å; F1399-I1407 HydrophobicContact CD1-CD1 3.64Å; F1399-I1407 HydrophobicContact CE1-CD1 3.71Å; F1399-R1437 HydrophobicContact CE2-CB 3.81Å; F1399-R1437 HydrophobicContact CZ-CB 4.01Å; F1399-F1441 HydrophobicContact CB-CD1 4.3Å; F1399-F1441 HydrophobicContact CB-CE1 3.77Å; F1399-F1441 AromaticContact CD1-CE1 3.72Å; F1399-F1441 HydrophobicContact CD1-CE1 3.72Å; F1399-F1441 HydrophobicContact CD1-CZ 4.13Å; F1399-F1441 AromaticContact CD2-CE1 3.78Å; F1399-F1441 HydrophobicContact CD2-CE1 3.78Å; F1399-F1441 HydrophobicContact CE1-CE1 4.17Å; F1399-F1441 HydrophobicContact CE1-CZ 4.17Å; F1399-F1441 HydrophobicContact CE2-CE1 4.25Å; F1399-F1441 HydrophobicContact CG-CD1 4.39Å; F1399-F1441 AromaticContact CG-CE1 3.5Å; F1399-F1441 HydrophobicContact CG-CE1 3.5Å; F1399-F1441 HydrophobicContact CG-CZ 4.31Å; F1399-F1441 HydrophobicContact CZ-CE1 4.42Å; F1399-F1441 HydrophobicContact CZ-CZ 4.42Å | ||
| 1400 | S | 71.6 | Confident | 81.7 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | trans | -75.1 | 161.1 | 164.2 | 73.2 | 0 | 0 | 0 | 0 | 111 | E1398 D1402 C1403 L1404 | E1398-S1400 PolarHBondContact O-N 3.24Å; S1400-D1402 VanDerWaalsContact C-N 3.28Å; S1400-D1402 PolarHBondContact O-N 3.41Å; S1400-C1403 PolarHBondContact O-N 3.32Å; S1400-C1403 VanDerWaalsContact O-N 3.15Å; S1400-C1403 WeakPolarHBondContact OG-CB 3.42Å; S1400-C1403 PolarHBondContact OG-N 2.79Å; S1400-C1403 VanDerWaalsContact OG-N 3.17Å; S1400-L1404 WeakPolarHBondContact O-CG 3.47Å; S1400-L1404 PolarHBondContact O-N 3.22Å | ||
| 1401 | A | 70.6 | Confident | 81.6 | Confident | 82 Ų | 82 | 46.9 Ų | 46.9 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -56.7 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1404 A1405 | A1401-L1404 PolarHBondContact O-N 3.21Å; A1401-A1405 PolarHBondContact O-N 3.26Å |
| 1402 | D | 67.1 | Low | 81.3 | Confident | 118 Ų | 118 | 44.1 Ų | 44.1 | 63% | 0.631 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -66.8 | -38.6 | 177.2 | -55.2 | -32.3 | 0 | 0 | 0 | 111.7 | S1400 A1405 F1406 | S1400-D1402 VanDerWaalsContact C-N 3.28Å; S1400-D1402 PolarHBondContact O-N 3.41Å; D1402-A1405 PolarHBondContact O-N 3.07Å; D1402-F1406 PolarHBondContact O-N 3.21Å |
| 1403 | C | 73.6 | Confident | 81 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.034 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 178 | -167.7 | 0 | 0 | 0 | 0 | 111.7 | V1397 S1400 A1405 F1406 I1407 | V1397-C1403 WeakPolarHBondContact CG1-SG 3.26Å; S1400-C1403 PolarHBondContact O-N 3.32Å; S1400-C1403 VanDerWaalsContact O-N 3.15Å; S1400-C1403 WeakPolarHBondContact OG-CB 3.42Å; S1400-C1403 PolarHBondContact OG-N 2.79Å; S1400-C1403 VanDerWaalsContact OG-N 3.17Å; C1403-A1405 VanDerWaalsContact C-N 3.28Å; C1403-A1405 PolarHBondContact O-N 3.16Å; C1403-F1406 PolarHBondContact O-N 3.42Å; C1403-I1407 WeakPolarHBondContact O-CB 3.43Å; C1403-I1407 VanDerWaalsContact O-CG1 3.23Å; C1403-I1407 WeakPolarHBondContact O-CG1 3.44Å; C1403-I1407 PolarHBondContact O-N 2.91Å; C1403-I1407 WeakPolarHBondContact SG-CD1 3.35Å |
| 1404 | L | 75.7 | Confident | 80.9 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -33.7 | 177.7 | -76.7 | 170.2 | 0 | 0 | 0 | 113 | F1399 S1400 A1401 I1407 N1408 F1441 | F1399-L1404 HydrophobicContact CB-CD1 4.48Å; F1399-L1404 HydrophobicContact CB-CD2 4.18Å; F1399-L1404 HydrophobicContact CB-CG 4.22Å; F1399-L1404 HydrophobicContact CD1-CD2 3.65Å; F1399-L1404 HydrophobicContact CD1-CG 4.41Å; F1399-L1404 HydrophobicContact CE1-CD2 4.44Å; F1399-L1404 HydrophobicContact CG-CD2 4.28Å; S1400-L1404 WeakPolarHBondContact O-CG 3.47Å; S1400-L1404 PolarHBondContact O-N 3.22Å; A1401-L1404 PolarHBondContact O-N 3.21Å; L1404-I1407 PolarHBondContact O-N 3.1Å; L1404-N1408 WeakPolarHBondContact O-CB 3.17Å; L1404-N1408 PolarHBondContact O-N 3.11Å; L1404-F1441 HydrophobicContact CD1-CE1 4.36Å; L1404-F1441 HydrophobicContact CD2-CD1 4.49Å; L1404-F1441 HydrophobicContact CD2-CE1 3.6Å; L1404-F1441 HydrophobicContact CD2-CZ 3.78Å |
| 1405 | A | 77.1 | Confident | 80.8 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1401 D1402 C1403 G1409 | A1401-A1405 PolarHBondContact O-N 3.26Å; D1402-A1405 PolarHBondContact O-N 3.07Å; C1403-A1405 VanDerWaalsContact C-N 3.28Å; C1403-A1405 PolarHBondContact O-N 3.16Å; A1405-G1409 WeakPolarHBondContact O-CA 3.25Å; A1405-G1409 PolarHBondContact O-N 2.83Å |
| 1406 | F | 82.3 | Confident | 80.8 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 173.7 | 163.2 | -97.3 | 0 | 0 | 0 | 112 | L1368 T1369 D1402 C1403 Y1410 F1411 | L1368-F1406 HydrophobicContact CD2-CE1 4.1Å; L1368-F1406 HydrophobicContact CG-CE1 4.18Å; T1369-F1406 VanDerWaalsContact CA-CZ 3.46Å; T1369-F1406 HydrophobicContact CG2-CD2 4.37Å; T1369-F1406 HydrophobicContact CG2-CE2 3.72Å; T1369-F1406 HydrophobicContact CG2-CZ 4.26Å; D1402-F1406 PolarHBondContact O-N 3.21Å; C1403-F1406 PolarHBondContact O-N 3.42Å; F1406-Y1410 HydrophobicContact CD2-CD1 4.23Å; F1406-Y1410 AromaticContact CE2-CD1 3.67Å; F1406-Y1410 HydrophobicContact CE2-CD1 3.67Å; F1406-Y1410 HydrophobicContact CE2-CE1 4.45Å; F1406-Y1410 PolarHBondContact O-N 2.99Å; F1406-F1411 HydrophobicContact CD1-CB 4.47Å; F1406-F1411 HydrophobicContact CE1-CB 3.81Å; F1406-F1411 HydrophobicContact CE1-CG 4.48Å; F1406-F1411 HydrophobicContact CZ-CB 3.89Å; F1406-F1411 PolarHBondContact O-N 3.45Å; F1406-F1411 VanDerWaalsContact O-N 3.08Å |
| 1407 | I | 81 | Confident | 80.9 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -60 | -51.5 | -177.6 | -71.7 | 168.1 | 0 | 0 | 0 | 110.4 | F1394 V1397 F1399 C1403 L1404 F1411 L1412 | F1394-I1407 HydrophobicContact CE2-CD1 4.1Å; F1394-I1407 HydrophobicContact CE2-CG1 4.36Å; F1394-I1407 HydrophobicContact CE2-CG2 4.18Å; V1397-I1407 HydrophobicContact CG1-CD1 4.01Å; F1399-I1407 HydrophobicContact CD1-CD1 3.64Å; F1399-I1407 HydrophobicContact CE1-CD1 3.71Å; C1403-I1407 WeakPolarHBondContact O-CB 3.43Å; C1403-I1407 VanDerWaalsContact O-CG1 3.23Å; C1403-I1407 WeakPolarHBondContact O-CG1 3.44Å; C1403-I1407 PolarHBondContact O-N 2.91Å; C1403-I1407 WeakPolarHBondContact SG-CD1 3.35Å; L1404-I1407 PolarHBondContact O-N 3.1Å; I1407-F1411 HydrophobicContact CG2-CD1 4.27Å; I1407-L1412 HydrophobicContact CG2-CD1 3.8Å; I1407-L1412 HydrophobicContact CG2-CG 3.92Å; I1407-L1412 WeakPolarHBondContact O-CB 3.08Å; I1407-L1412 VanDerWaalsContact O-CG 3.3Å; I1407-L1412 WeakPolarHBondContact O-CG 3.44Å; I1407-L1412 PolarHBondContact O-N 3.07Å |
| 1408 | N | 79 | Confident | 81.1 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 40% | 0.401 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -79.8 | -34.2 | -176 | -66.8 | -15.6 | 0 | 0 | 0 | 112.7 | L1404 L1412 M1465 | L1404-N1408 WeakPolarHBondContact O-CB 3.17Å; L1404-N1408 PolarHBondContact O-N 3.11Å; N1408-L1412 WeakPolarHBondContact OD1-CD1 3.3Å; N1408-M1465 VanDerWaalsContact OD1-CE 3.27Å; N1408-M1465 WeakPolarHBondContact OD1-CE 3.29Å; N1408-M1465 PolarHBondContact OD1-SD 3.03Å |
| 1409 | G | 79.9 | Confident | 81.5 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -81 | -33.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1405 | A1405-G1409 WeakPolarHBondContact O-CA 3.25Å; A1405-G1409 PolarHBondContact O-N 2.83Å |
| 1410 | Y | 87.2 | Confident | 81.6 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -128.6 | -57.8 | -173.3 | -173.9 | -123.3 | 0 | 0 | 0 | 112.8 | T1372 E1373 D1376 F1406 K1413 V1414 | T1372-Y1410 HydrophobicContact CG2-CD1 3.64Å; T1372-Y1410 HydrophobicContact CG2-CE1 3.51Å; T1372-Y1410 HydrophobicContact CG2-CG 4.43Å; E1373-Y1410 HydrophobicContact CG-CE1 4.28Å; D1376-Y1410 PolarHBondContact OD2-OH 2.84Å; F1406-Y1410 HydrophobicContact CD2-CD1 4.23Å; F1406-Y1410 AromaticContact CE2-CD1 3.67Å; F1406-Y1410 HydrophobicContact CE2-CD1 3.67Å; F1406-Y1410 HydrophobicContact CE2-CE1 4.45Å; F1406-Y1410 PolarHBondContact O-N 2.99Å; Y1410-K1413 WeakPolarHBondContact O-CB 3.44Å; Y1410-K1413 PolarHBondContact O-N 3.46Å; Y1410-V1414 HydrophobicContact CD2-CG2 4.03Å; Y1410-V1414 HydrophobicContact CE2-CG2 3.83Å; Y1410-V1414 WeakPolarHBondContact O-CG2 3.48Å; Y1410-V1414 PolarHBondContact O-N 3.43Å |
| 1411 | F | 89.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -59 | -55.8 | -174.1 | 168.9 | -111.9 | 0 | 0 | 0 | 113.6 | L1368 T1372 M1390 F1394 F1406 I1407 K1413 V1414 V1415 I1430 | L1368-F1411 HydrophobicContact CD1-CD2 4.08Å; L1368-F1411 HydrophobicContact CD1-CE2 3.55Å; L1368-F1411 HydrophobicContact CD1-CZ 3.88Å; L1368-F1411 HydrophobicContact CD2-CD1 4.32Å; L1368-F1411 HydrophobicContact CD2-CD2 4.36Å; L1368-F1411 HydrophobicContact CD2-CE1 4.3Å; L1368-F1411 HydrophobicContact CD2-CE2 4.33Å; L1368-F1411 HydrophobicContact CD2-CG 4.34Å; L1368-F1411 HydrophobicContact CD2-CZ 4.28Å; L1368-F1411 HydrophobicContact CG-CD2 4.15Å; L1368-F1411 HydrophobicContact CG-CE2 4.11Å; L1368-F1411 HydrophobicContact CG-CZ 4.48Å; T1372-F1411 HydrophobicContact CG2-CB 4.35Å; T1372-F1411 HydrophobicContact CG2-CD2 4.27Å; T1372-F1411 VanDerWaalsContact OG1-CD2 3.31Å; T1372-F1411 WeakPolarHBondContact OG1-CD2 3.28Å; M1390-F1411 HydrophobicContact CB-CE2 4.47Å; M1390-F1411 HydrophobicContact CE-CE2 4.44Å; M1390-F1411 HydrophobicContact CG-CE2 4.36Å; M1390-F1411 HydrophobicContact SD-CE2 3.84Å; F1394-F1411 HydrophobicContact CB-CZ 4.41Å; F1394-F1411 HydrophobicContact CD2-CD1 4.36Å; F1394-F1411 AromaticContact CD2-CE1 3.57Å; F1394-F1411 HydrophobicContact CD2-CE1 3.57Å; F1394-F1411 HydrophobicContact CD2-CZ 4.06Å; F1394-F1411 HydrophobicContact CE2-CD1 4.21Å; F1394-F1411 AromaticContact CE2-CE1 3.67Å; F1394-F1411 HydrophobicContact CE2-CE1 3.67Å; F1394-F1411 HydrophobicContact CG-CE1 4.03Å; F1394-F1411 HydrophobicContact CG-CZ 4.2Å; F1394-F1411 HydrophobicContact CZ-CE1 4.22Å; F1406-F1411 HydrophobicContact CD1-CB 4.47Å; F1406-F1411 HydrophobicContact CE1-CB 3.81Å; F1406-F1411 HydrophobicContact CE1-CG 4.48Å; F1406-F1411 HydrophobicContact CZ-CB 3.89Å; F1406-F1411 PolarHBondContact O-N 3.45Å; F1406-F1411 VanDerWaalsContact O-N 3.08Å; I1407-F1411 HydrophobicContact CG2-CD1 4.27Å; F1411-K1413 PolarHBondContact O-N 3.33Å; F1411-V1414 PolarHBondContact O-N 3.22Å; F1411-V1415 HydrophobicContact CD2-CG2 3.95Å; F1411-V1415 HydrophobicContact CE2-CG2 3.61Å; F1411-V1415 HydrophobicContact CZ-CG2 3.97Å; F1411-V1415 WeakPolarHBondContact O-CG2 3.13Å; F1411-V1415 PolarHBondContact O-N 3.22Å; F1411-I1430 HydrophobicContact CE1-CG2 3.98Å; F1411-I1430 HydrophobicContact CZ-CG2 3.58Å |
| 1412 | L | 87.4 | Confident | 82.9 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.2 | -30 | -179.8 | -69.5 | 177.5 | 0 | 0 | 0 | 111.9 | I1407 N1408 S1416 L1431 A1434 M1465 | I1407-L1412 HydrophobicContact CG2-CD1 3.8Å; I1407-L1412 HydrophobicContact CG2-CG 3.92Å; I1407-L1412 WeakPolarHBondContact O-CB 3.08Å; I1407-L1412 VanDerWaalsContact O-CG 3.3Å; I1407-L1412 WeakPolarHBondContact O-CG 3.44Å; I1407-L1412 PolarHBondContact O-N 3.07Å; N1408-L1412 WeakPolarHBondContact OD1-CD1 3.3Å; L1412-S1416 WeakPolarHBondContact O-CB 3.5Å; L1412-S1416 PolarHBondContact O-N 3.31Å; L1412-S1416 PolarHBondContact O-OG 3.34Å; L1412-L1431 HydrophobicContact CD2-CD2 3.8Å; L1412-A1434 HydrophobicContact CD2-CB 4.03Å; L1412-M1465 HydrophobicContact CD1-CE 3.26Å |
| 1413 | K | 86.6 | Confident | 83.8 | Confident | 85 Ų | 85 | 49.1 Ų | 49.1 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 174.8 | -171.8 | 177.1 | 179.6 | 178.4 | 0 | 111 | Y1410 F1411 S1416 R1417 | Y1410-K1413 WeakPolarHBondContact O-CB 3.44Å; Y1410-K1413 PolarHBondContact O-N 3.46Å; F1411-K1413 PolarHBondContact O-N 3.33Å; K1413-S1416 PolarHBondContact O-N 2.97Å; K1413-S1416 PolarHBondContact O-OG 3.38Å; K1413-R1417 PolarHBondContact O-N 3.13Å |
| 1414 | V | 87.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | T1372 L1375 D1376 Y1410 F1411 S1416 R1417 H1418 | T1372-V1414 HydrophobicContact CG2-CB 4.07Å; T1372-V1414 HydrophobicContact CG2-CG1 4.38Å; T1372-V1414 HydrophobicContact CG2-CG2 4.03Å; L1375-V1414 HydrophobicContact CB-CG1 4.29Å; L1375-V1414 HydrophobicContact CD2-CG1 3.94Å; L1375-V1414 HydrophobicContact CG-CG1 4.01Å; D1376-V1414 HydrophobicContact CB-CG1 3.99Å; D1376-V1414 HydrophobicContact CB-CG2 4.05Å; Y1410-V1414 HydrophobicContact CD2-CG2 4.03Å; Y1410-V1414 HydrophobicContact CE2-CG2 3.83Å; Y1410-V1414 WeakPolarHBondContact O-CG2 3.48Å; Y1410-V1414 PolarHBondContact O-N 3.43Å; F1411-V1414 PolarHBondContact O-N 3.22Å; V1414-S1416 VanDerWaalsContact C-N 3.29Å; V1414-S1416 PolarHBondContact O-N 3.46Å; V1414-R1417 WeakPolarHBondContact O-CB 3.23Å; V1414-R1417 PolarHBondContact O-N 3.42Å; V1414-R1417 VanDerWaalsContact O-N 3.15Å; V1414-H1418 PolarHBondContact O-CD2 2.93Å; V1414-H1418 VanDerWaalsContact O-CD2 3.31Å |
| 1415 | V | 89.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 179 | 174 | 0 | 0 | 0 | 0 | 111.9 | L1375 M1390 F1411 R1417 H1418 A1427 I1430 L1431 | L1375-V1415 HydrophobicContact CD2-CG2 4.37Å; M1390-V1415 HydrophobicContact SD-CG2 4.41Å; F1411-V1415 HydrophobicContact CD2-CG2 3.95Å; F1411-V1415 HydrophobicContact CE2-CG2 3.61Å; F1411-V1415 HydrophobicContact CZ-CG2 3.97Å; F1411-V1415 WeakPolarHBondContact O-CG2 3.13Å; F1411-V1415 PolarHBondContact O-N 3.22Å; V1415-R1417 VanDerWaalsContact C-N 3.27Å; V1415-R1417 PolarHBondContact O-N 3.21Å; V1415-H1418 PolarHBondContact O-N 3.07Å; V1415-H1418 VanDerWaalsContact O-N 3.09Å; V1415-A1427 HydrophobicContact CG1-CB 4.13Å; V1415-I1430 HydrophobicContact CG1-CB 4.14Å; V1415-I1430 HydrophobicContact CG1-CD1 4.25Å; V1415-I1430 HydrophobicContact CG1-CG2 4.15Å; V1415-I1430 HydrophobicContact CG2-CD1 4.31Å; V1415-I1430 HydrophobicContact CG2-CG2 4.47Å; V1415-L1431 HydrophobicContact CG1-CD2 4.26Å; V1415-L1431 HydrophobicContact CG1-CG 4.24Å |
| 1416 | S | 87 | Confident | 85.9 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -31.3 | 179.9 | 72 | 0 | 0 | 0 | 0 | 113.4 | L1412 K1413 V1414 H1418 V1419 | L1412-S1416 WeakPolarHBondContact O-CB 3.5Å; L1412-S1416 PolarHBondContact O-N 3.31Å; L1412-S1416 PolarHBondContact O-OG 3.34Å; K1413-S1416 PolarHBondContact O-N 2.97Å; K1413-S1416 PolarHBondContact O-OG 3.38Å; V1414-S1416 VanDerWaalsContact C-N 3.29Å; V1414-S1416 PolarHBondContact O-N 3.46Å; S1416-H1418 PolarHBondContact O-N 2.84Å; S1416-V1419 WeakPolarHBondContact O-CB 3.42Å; S1416-V1419 WeakPolarHBondContact O-CG2 3.44Å; S1416-V1419 PolarHBondContact O-N 3.34Å; S1416-V1419 VanDerWaalsContact O-N 3.16Å |
| 1417 | R | 88 | Confident | 86.3 | Confident | 143 Ų | 143 | 58.8 Ų | 58.8 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -29.1 | 176.2 | -66.2 | 176.3 | -176.7 | 157.6 | -3.7 | 112.2 | D1376 K1413 V1414 V1415 V1419 | D1376-R1417 IonicContact OD1-NH1 2.84Å; D1376-R1417 PolarHBondContact OD1-NH1 2.77Å; K1413-R1417 PolarHBondContact O-N 3.13Å; V1414-R1417 WeakPolarHBondContact O-CB 3.23Å; V1414-R1417 PolarHBondContact O-N 3.42Å; V1414-R1417 VanDerWaalsContact O-N 3.15Å; V1415-R1417 VanDerWaalsContact C-N 3.27Å; V1415-R1417 PolarHBondContact O-N 3.21Å; R1417-V1419 VanDerWaalsContact C-N 3.33Å |
| 1418 | H | 88.7 | Confident | 86.6 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -83.9 | -4.4 | 179.3 | -63.7 | -78 | 0 | 0 | 0 | 114 | H1383 L1387 V1414 V1415 S1416 Q1420 G1421 W1424 A1427 | H1383-H1418 AromaticContact CE1-CE1 3.71Å; H1383-H1418 AromaticContact ND1-CE1 3.51Å; L1387-H1418 HydrophobicContact CD1-CB 4.37Å; V1414-H1418 PolarHBondContact O-CD2 2.93Å; V1414-H1418 VanDerWaalsContact O-CD2 3.31Å; V1415-H1418 PolarHBondContact O-N 3.07Å; V1415-H1418 VanDerWaalsContact O-N 3.09Å; S1416-H1418 PolarHBondContact O-N 2.84Å; H1418-Q1420 VanDerWaalsContact C-N 3.34Å; H1418-G1421 PolarHBondContact O-N 2.93Å; H1418-W1424 WeakPolarHBondContact O-CA 3.43Å; H1418-W1424 PolarHBondContact O-N 3.02Å; H1418-A1427 HydrophobicContact CB-CB 3.97Å |
| 1419 | V | 86.2 | Confident | 87.1 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -71.4 | -30.6 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | S1416 R1417 G1421 W1424 A1427 L1431 | S1416-V1419 WeakPolarHBondContact O-CB 3.42Å; S1416-V1419 WeakPolarHBondContact O-CG2 3.44Å; S1416-V1419 PolarHBondContact O-N 3.34Å; S1416-V1419 VanDerWaalsContact O-N 3.16Å; R1417-V1419 VanDerWaalsContact C-N 3.33Å; V1419-G1421 VanDerWaalsContact C-N 3.31Å; V1419-W1424 WeakPolarHBondContact O-CB 3.35Å; V1419-A1427 HydrophobicContact CG2-CB 4.09Å; V1419-L1431 HydrophobicContact CG2-CD1 3.43Å; V1419-L1431 VanDerWaalsContact CG2-CD1 3.43Å |
| 1420 | Q | 78.5 | Confident | 87.7 | Confident | 195 Ų | 195 | 56.4 Ų | 56.4 | 91% | 0.911 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -88.2 | 1.4 | 176 | -65.3 | -179.4 | -5.3 | 0 | 0 | 112.8 | H1418 | H1418-Q1420 VanDerWaalsContact C-N 3.34Š|
| 1421 | G | 83.2 | Confident | 87.7 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 27% | 0.268 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -106.8 | -174.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1418 V1419 N1423 W1424 | H1418-G1421 PolarHBondContact O-N 2.93Å; V1419-G1421 VanDerWaalsContact C-N 3.31Å; G1421-N1423 PolarHBondContact O-N 3.41Å; G1421-W1424 WeakPolarHBondContact O-CB 3.37Å; G1421-W1424 PolarHBondContact O-N 2.69Å |
| 1422 | P | 85.6 | Confident | 87.5 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 79% | 0.786 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.8 | -179.7 | 24.8 | -34.3 | 0 | 0 | 0 | 113.4 | W1424 | P1422-W1424 VanDerWaalsContact C-N 3.31Å; P1422-W1424 PolarHBondContact O-N 3.43Å |
| 1423 | N | 87.3 | Confident | 87.4 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 26.7 | -177.2 | -55.2 | -26.3 | 0 | 0 | 0 | 112.9 | H1383 T1384 L1387 G1421 K1425 E1426 A1427 | H1383-N1423 WeakPolarHBondContact CB-ND2 3.47Å; T1384-N1423 PolarHBondContact OG1-OD1 3.35Å; T1384-N1423 VanDerWaalsContact OG1-OD1 3.13Å; L1387-N1423 HydrophobicContact CD1-CB 3.64Å; G1421-N1423 PolarHBondContact O-N 3.41Å; N1423-K1425 PolarHBondContact O-N 3.22Å; N1423-E1426 PolarHBondContact O-N 3.29Å; N1423-A1427 WeakPolarHBondContact O-CB 3.46Å; N1423-A1427 PolarHBondContact O-N 2.77Å; N1423-A1427 VanDerWaalsContact O-N 3.09Å |
| 1424 | W | 89.7 | Confident | 87.3 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 50% | 0.504 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -28.5 | -175.5 | 70.5 | -94.2 | 0 | 0 | 0 | 113 | H1418 V1419 G1421 P1422 S1428 | H1418-W1424 WeakPolarHBondContact O-CA 3.43Å; H1418-W1424 PolarHBondContact O-N 3.02Å; V1419-W1424 WeakPolarHBondContact O-CB 3.35Å; G1421-W1424 WeakPolarHBondContact O-CB 3.37Å; G1421-W1424 PolarHBondContact O-N 2.69Å; P1422-W1424 VanDerWaalsContact C-N 3.31Å; P1422-W1424 PolarHBondContact O-N 3.43Å; W1424-S1428 WeakPolarHBondContact O-CA 3.23Å; W1424-S1428 WeakPolarHBondContact O-CB 3.38Å; W1424-S1428 PolarHBondContact O-N 3.24Å |
| 1425 | K | 90.2 | Very high | 86.9 | Confident | 135 Ų | 135 | 61.4 Ų | 61.4 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.1 | -46.6 | -179.7 | -69.7 | -179.6 | -178.7 | 171.5 | 0 | 111 | N1423 A1429 | N1423-K1425 PolarHBondContact O-N 3.22Å; K1425-A1429 WeakPolarHBondContact O-CB 3.47Å; K1425-A1429 PolarHBondContact O-N 3.15Å |
| 1426 | E | 89.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.6 | -44.7 | 179.7 | -62.5 | 67.6 | -149.2 | 0 | 0 | 110.4 | T1384 L1387 N1423 A1429 I1430 | T1384-E1426 HydrophobicContact CG2-CG 4.23Å; L1387-E1426 HydrophobicContact CB-CB 3.68Å; L1387-E1426 HydrophobicContact CD1-CB 4.15Å; N1423-E1426 PolarHBondContact O-N 3.29Å; E1426-A1429 WeakPolarHBondContact O-CB 3.4Å; E1426-A1429 PolarHBondContact O-N 2.86Å; E1426-I1430 WeakPolarHBondContact O-CG1 3.35Å; E1426-I1430 PolarHBondContact O-N 3.02Å; E1426-I1430 VanDerWaalsContact O-N 3.15Å |
| 1427 | A | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1387 V1415 H1418 V1419 N1423 A1429 I1430 L1431 | L1387-A1427 HydrophobicContact CD2-CB 4.46Å; V1415-A1427 HydrophobicContact CG1-CB 4.13Å; H1418-A1427 HydrophobicContact CB-CB 3.97Å; V1419-A1427 HydrophobicContact CG2-CB 4.09Å; N1423-A1427 WeakPolarHBondContact O-CB 3.46Å; N1423-A1427 PolarHBondContact O-N 2.77Å; N1423-A1427 VanDerWaalsContact O-N 3.09Å; A1427-A1429 VanDerWaalsContact C-N 3.3Å; A1427-A1429 PolarHBondContact O-N 3.05Å; A1427-I1430 WeakPolarHBondContact O-CB 3.46Å; A1427-I1430 PolarHBondContact O-N 2.78Å; A1427-I1430 VanDerWaalsContact O-N 3.15Å; A1427-L1431 WeakPolarHBondContact O-CG 3.47Å; A1427-L1431 PolarHBondContact O-N 3.32Å |
| 1428 | S | 88.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | W1424 I1430 L1431 N1432 | W1424-S1428 WeakPolarHBondContact O-CA 3.23Å; W1424-S1428 WeakPolarHBondContact O-CB 3.38Å; W1424-S1428 PolarHBondContact O-N 3.24Å; S1428-I1430 VanDerWaalsContact C-N 3.31Å; S1428-I1430 PolarHBondContact O-N 3.09Å; S1428-L1431 PolarHBondContact O-N 2.91Å; S1428-N1432 WeakPolarHBondContact O-CB 3.39Å; S1428-N1432 PolarHBondContact O-N 3.45Å; S1428-N1432 PolarHBondContact O-ND2 3.18Å; S1428-N1432 PolarHBondContact OG-ND2 3.38Å |
| 1429 | A | 89.8 | Confident | 84 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1391 K1425 E1426 A1427 V1433 | K1391-A1429 HydrophobicContact CD-CB 3.92Å; K1425-A1429 WeakPolarHBondContact O-CB 3.47Å; K1425-A1429 PolarHBondContact O-N 3.15Å; E1426-A1429 WeakPolarHBondContact O-CB 3.4Å; E1426-A1429 PolarHBondContact O-N 2.86Å; A1427-A1429 VanDerWaalsContact C-N 3.3Å; A1427-A1429 PolarHBondContact O-N 3.05Å; A1429-V1433 WeakPolarHBondContact O-CG2 3.43Å; A1429-V1433 PolarHBondContact O-N 3.31Å |
| 1430 | I | 91.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 173.7 | -62.4 | 170.5 | 0 | 0 | 0 | 110.4 | L1387 M1390 K1391 F1394 F1411 V1415 E1426 A1427 S1428 N1432 V1433 A1434 | L1387-I1430 HydrophobicContact CB-CD1 4.3Å; L1387-I1430 HydrophobicContact CD2-CD1 3.57Å; M1390-I1430 HydrophobicContact CB-CD1 3.84Å; M1390-I1430 HydrophobicContact SD-CD1 4.35Å; K1391-I1430 HydrophobicContact CB-CG1 3.88Å; F1394-I1430 HydrophobicContact CD1-CG2 4.37Å; F1411-I1430 HydrophobicContact CE1-CG2 3.98Å; F1411-I1430 HydrophobicContact CZ-CG2 3.58Å; V1415-I1430 HydrophobicContact CG1-CB 4.14Å; V1415-I1430 HydrophobicContact CG1-CD1 4.25Å; V1415-I1430 HydrophobicContact CG1-CG2 4.15Å; V1415-I1430 HydrophobicContact CG2-CD1 4.31Å; V1415-I1430 HydrophobicContact CG2-CG2 4.47Å; E1426-I1430 WeakPolarHBondContact O-CG1 3.35Å; E1426-I1430 PolarHBondContact O-N 3.02Å; E1426-I1430 VanDerWaalsContact O-N 3.15Å; A1427-I1430 WeakPolarHBondContact O-CB 3.46Å; A1427-I1430 PolarHBondContact O-N 2.78Å; A1427-I1430 VanDerWaalsContact O-N 3.15Å; S1428-I1430 VanDerWaalsContact C-N 3.31Å; S1428-I1430 PolarHBondContact O-N 3.09Å; I1430-N1432 VanDerWaalsContact C-N 3.31Å; I1430-N1432 PolarHBondContact O-N 2.75Å; I1430-V1433 WeakPolarHBondContact O-CB 3.44Å; I1430-V1433 PolarHBondContact O-N 3Å; I1430-V1433 VanDerWaalsContact O-N 3.1Å; I1430-A1434 PolarHBondContact O-N 2.58Å |
| 1431 | L | 87 | Confident | 81.4 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 179.2 | -67.1 | 179.9 | 0 | 0 | 0 | 112.1 | L1412 V1415 V1419 A1427 S1428 V1433 A1434 V1435 | L1412-L1431 HydrophobicContact CD2-CD2 3.8Å; V1415-L1431 HydrophobicContact CG1-CD2 4.26Å; V1415-L1431 HydrophobicContact CG1-CG 4.24Å; V1419-L1431 HydrophobicContact CG2-CD1 3.43Å; V1419-L1431 VanDerWaalsContact CG2-CD1 3.43Å; A1427-L1431 WeakPolarHBondContact O-CG 3.47Å; A1427-L1431 PolarHBondContact O-N 3.32Å; S1428-L1431 PolarHBondContact O-N 2.91Å; L1431-V1433 VanDerWaalsContact C-N 3.32Å; L1431-V1433 PolarHBondContact O-N 3.48Å; L1431-A1434 WeakPolarHBondContact O-CB 3.48Å; L1431-A1434 PolarHBondContact O-N 2.96Å; L1431-A1434 VanDerWaalsContact O-N 3.11Å; L1431-V1435 WeakPolarHBondContact O-CG2 3.44Å; L1431-V1435 PolarHBondContact O-N 3.46Å |
| 1432 | N | 87.3 | Confident | 79.6 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174 | -75.1 | -38.9 | 0 | 0 | 0 | 111.9 | S1428 I1430 A1436 | S1428-N1432 WeakPolarHBondContact O-CB 3.39Å; S1428-N1432 PolarHBondContact O-N 3.45Å; S1428-N1432 PolarHBondContact O-ND2 3.18Å; S1428-N1432 PolarHBondContact OG-ND2 3.38Å; I1430-N1432 VanDerWaalsContact C-N 3.31Å; I1430-N1432 PolarHBondContact O-N 2.75Å; N1432-A1436 VanDerWaalsContact O-CB 3.22Å; N1432-A1436 WeakPolarHBondContact O-CB 3.46Å; N1432-A1436 PolarHBondContact O-N 3.42Å |
| 1433 | V | 85.3 | Confident | 77.5 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 172.2 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | F1394 V1395 A1429 I1430 L1431 A1436 R1437 | F1394-V1433 HydrophobicContact CD1-CB 4.21Å; F1394-V1433 HydrophobicContact CD1-CG1 3.71Å; F1394-V1433 HydrophobicContact CE1-CB 4.43Å; F1394-V1433 HydrophobicContact CE1-CG1 4Å; V1395-V1433 HydrophobicContact CG2-CG1 3.97Å; V1395-V1433 HydrophobicContact CG2-CG2 4.46Å; A1429-V1433 WeakPolarHBondContact O-CG2 3.43Å; A1429-V1433 PolarHBondContact O-N 3.31Å; I1430-V1433 WeakPolarHBondContact O-CB 3.44Å; I1430-V1433 PolarHBondContact O-N 3Å; I1430-V1433 VanDerWaalsContact O-N 3.1Å; L1431-V1433 VanDerWaalsContact C-N 3.32Å; L1431-V1433 PolarHBondContact O-N 3.48Å; V1433-A1436 PolarHBondContact O-N 3.33Å; V1433-R1437 HydrophobicContact CG1-CG 4.3Å; V1433-R1437 WeakPolarHBondContact O-CB 3.48Å; V1433-R1437 VanDerWaalsContact O-CG 3.31Å; V1433-R1437 WeakPolarHBondContact O-CG 3.42Å; V1433-R1437 PolarHBondContact O-N 2.94Å |
| 1434 | A | 83.6 | Confident | 75.3 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1394 L1412 I1430 L1431 R1437 S1438 | F1394-A1434 HydrophobicContact CE1-CB 3.65Å; F1394-A1434 HydrophobicContact CZ-CB 3.85Å; L1412-A1434 HydrophobicContact CD2-CB 4.03Å; I1430-A1434 PolarHBondContact O-N 2.58Å; L1431-A1434 WeakPolarHBondContact O-CB 3.48Å; L1431-A1434 PolarHBondContact O-N 2.96Å; L1431-A1434 VanDerWaalsContact O-N 3.11Å; A1434-R1437 PolarHBondContact O-N 3.45Å; A1434-S1438 WeakPolarHBondContact O-CB 3.02Å; A1434-S1438 PolarHBondContact O-N 3.34Å |
| 1435 | V | 80.1 | Confident | 72.8 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | L1431 R1437 S1438 F1467 | L1431-V1435 WeakPolarHBondContact O-CG2 3.44Å; L1431-V1435 PolarHBondContact O-N 3.46Å; V1435-R1437 VanDerWaalsContact C-N 3.29Å; V1435-R1437 PolarHBondContact O-N 3.24Å; V1435-S1438 PolarHBondContact O-N 3.45Å; V1435-S1438 VanDerWaalsContact O-N 3.13Å; V1435-S1438 PolarHBondContact O-OG 3.47Å; V1435-F1467 HydrophobicContact CG2-CE2 4.25Å; V1435-F1467 HydrophobicContact CG2-CZ 4.01Å |
| 1436 | A | 79.9 | Confident | 70.3 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 55% | 0.554 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58 | -42.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | N1432 V1433 S1439 | N1432-A1436 VanDerWaalsContact O-CB 3.22Å; N1432-A1436 WeakPolarHBondContact O-CB 3.46Å; N1432-A1436 PolarHBondContact O-N 3.42Å; V1433-A1436 PolarHBondContact O-N 3.33Å; A1436-S1439 PolarHBondContact O-OG 3.49Å |
| 1437 | R | 79.1 | Confident | 67.6 | Low | 63 Ų | 63 | 68 Ų | 68 | 24% | 0.238 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -77.8 | -21.6 | 179 | -65.2 | -170 | 72.3 | -171.5 | -2.3 | 113.6 | F1394 V1395 V1397 F1399 V1433 A1434 V1435 S1439 S1440 | F1394-R1437 PolarHBondContact O-NH1 3.12Å; V1395-R1437 VanDerWaalsContact C-NH1 3.29Å; V1395-R1437 PolarHBondContact O-NH1 3.29Å; V1397-R1437 VanDerWaalsContact O-CZ 3.3Å; V1397-R1437 PolarHBondContact O-NH1 2.83Å; V1397-R1437 PolarHBondContact O-NH2 3.36Å; F1399-R1437 HydrophobicContact CE2-CB 3.81Å; F1399-R1437 HydrophobicContact CZ-CB 4.01Å; V1433-R1437 HydrophobicContact CG1-CG 4.3Å; V1433-R1437 WeakPolarHBondContact O-CB 3.48Å; V1433-R1437 VanDerWaalsContact O-CG 3.31Å; V1433-R1437 WeakPolarHBondContact O-CG 3.42Å; V1433-R1437 PolarHBondContact O-N 2.94Å; A1434-R1437 PolarHBondContact O-N 3.45Å; V1435-R1437 VanDerWaalsContact C-N 3.29Å; V1435-R1437 PolarHBondContact O-N 3.24Å; R1437-S1439 PolarHBondContact O-N 2.8Å; R1437-S1439 VanDerWaalsContact O-N 3.17Å; R1437-S1440 WeakPolarHBondContact O-CB 3.13Å; R1437-S1440 PolarHBondContact O-N 2.84Å; R1437-S1440 PolarHBondContact O-OG 2.85Å |
| 1438 | S | 68.2 | Low | 64.8 | Low | 6 Ų | 6 | 73.9 Ų | 73.9 | 4% | 0.042 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.4 | -25.5 | 179.8 | 70.8 | 0 | 0 | 0 | 0 | 114.1 | A1434 V1435 S1440 F1441 | A1434-S1438 WeakPolarHBondContact O-CB 3.02Å; A1434-S1438 PolarHBondContact O-N 3.34Å; V1435-S1438 PolarHBondContact O-N 3.45Å; V1435-S1438 VanDerWaalsContact O-N 3.13Å; V1435-S1438 PolarHBondContact O-OG 3.47Å; S1438-S1440 PolarHBondContact O-N 2.97Å; S1438-S1440 VanDerWaalsContact O-N 3.13Å; S1438-F1441 VanDerWaalsContact CB-CE2 3.44Å; S1438-F1441 WeakPolarHBondContact O-CD2 3.27Å; S1438-F1441 WeakPolarHBondContact O-CG 3.47Å; S1438-F1441 PolarHBondContact O-N 3.01Å |
| 1439 | S | 63.1 | Low | 62.1 | Low | 102 Ų | 102 | 75.9 Ų | 75.9 | 71% | 0.713 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.7 | 173.8 | 64 | 0 | 0 | 0 | 0 | 114.3 | A1436 R1437 | A1436-S1439 PolarHBondContact O-OG 3.49Å; R1437-S1439 PolarHBondContact O-N 2.8Å; R1437-S1439 VanDerWaalsContact O-N 3.17Å |
| 1440 | S | 58.3 | Low | 59.3 | Low | 74 Ų | 74 | 82.2 Ų | 82.2 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.3 | -177.5 | 68.6 | 0 | 0 | 0 | 0 | 115 | R1437 S1438 C1442 | R1437-S1440 WeakPolarHBondContact O-CB 3.13Å; R1437-S1440 PolarHBondContact O-N 2.84Å; R1437-S1440 PolarHBondContact O-OG 2.85Å; S1438-S1440 PolarHBondContact O-N 2.97Å; S1438-S1440 VanDerWaalsContact O-N 3.13Å; S1440-C1442 PolarHBondContact O-N 3.11Å; S1440-C1442 VanDerWaalsContact O-N 3.17Å |
| 1441 | F | 53.2 | Low | 56.6 | Low | 42 Ų | 42 | 92.2 Ų | 92.2 | 18% | 0.184 | 55% | 0.545 | C | S | . | . | trans | -65.8 | 113.7 | 179.9 | -65.6 | -50 | 0 | 0 | 0 | 111.9 | F1399 L1404 S1438 M1465 | F1399-F1441 HydrophobicContact CB-CD1 4.3Å; F1399-F1441 HydrophobicContact CB-CE1 3.77Å; F1399-F1441 AromaticContact CD1-CE1 3.72Å; F1399-F1441 HydrophobicContact CD1-CE1 3.72Å; F1399-F1441 HydrophobicContact CD1-CZ 4.13Å; F1399-F1441 AromaticContact CD2-CE1 3.78Å; F1399-F1441 HydrophobicContact CD2-CE1 3.78Å; F1399-F1441 HydrophobicContact CE1-CE1 4.17Å; F1399-F1441 HydrophobicContact CE1-CZ 4.17Å; F1399-F1441 HydrophobicContact CE2-CE1 4.25Å; F1399-F1441 HydrophobicContact CG-CD1 4.39Å; F1399-F1441 AromaticContact CG-CE1 3.5Å; F1399-F1441 HydrophobicContact CG-CE1 3.5Å; F1399-F1441 HydrophobicContact CG-CZ 4.31Å; F1399-F1441 HydrophobicContact CZ-CE1 4.42Å; F1399-F1441 HydrophobicContact CZ-CZ 4.42Å; L1404-F1441 HydrophobicContact CD1-CE1 4.36Å; L1404-F1441 HydrophobicContact CD2-CD1 4.49Å; L1404-F1441 HydrophobicContact CD2-CE1 3.6Å; L1404-F1441 HydrophobicContact CD2-CZ 3.78Å; S1438-F1441 VanDerWaalsContact CB-CE2 3.44Å; S1438-F1441 WeakPolarHBondContact O-CD2 3.27Å; S1438-F1441 WeakPolarHBondContact O-CG 3.47Å; S1438-F1441 PolarHBondContact O-N 3.01Å; F1441-M1465 HydrophobicContact CE2-CG 4.08Å | ||
| 1442 | C | 45.3 | Very low | 54 | Low | 123 Ų | 123 | 96.2 Ų | 96.2 | 83% | 0.831 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 141.2 | 174.9 | -80.4 | 0 | 0 | 0 | 0 | 111.8 | S1440 | S1440-C1442 PolarHBondContact O-N 3.11Å; S1440-C1442 VanDerWaalsContact O-N 3.17Å |
| 1443 | K | 40.8 | Very low | 51.5 | Low | 177 Ų | 177 | 100.7 Ų | 100.7 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.3 | 174.4 | -91.7 | -178.8 | 172.9 | -179 | 0 | 110.1 | ||
| 1444 | P | 40.3 | Very low | 48.9 | Very low | 62 Ų | 62 | 108.7 Ų | 108.7 | 40% | 0.403 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -71.7 | 135.6 | 172.3 | 15.6 | -9 | 0 | 0 | 0 | 110.5 | N1446 R1463 | P1444-N1446 PolarHBondContact O-N 3.16Å; P1444-R1463 VanDerWaalsContact CG-CZ 3.48Å |
| 1445 | T | 37.1 | Very low | 46.5 | Very low | 140 Ų | 140 | 111.9 Ų | 111.9 | 86% | 0.859 | 65% | 0.653 | S | S | * | * | trans | -68 | 89 | 176.7 | 23 | 0 | 0 | 0 | 0 | 110.8 | S1447 | T1445-S1447 PolarHBondContact O-N 2.97Š| ||
| 1446 | N | 39.5 | Very low | 44.2 | Very low | 150 Ų | 150 | 116.5 Ų | 116.5 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | -69.8 | 112.6 | 170 | -82.1 | 2.9 | 0 | 0 | 0 | 110.1 | P1444 | P1444-N1446 PolarHBondContact O-N 3.16Š| ||
| 1447 | S | 32.3 | Very low | 42 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | -116.4 | 78.2 | 169 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | T1445 | T1445-S1447 PolarHBondContact O-N 2.97Š| ||
| 1448 | S | 30.5 | Very low | 40.1 | Very low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | trans | 180 | 130.9 | 155.6 | 15.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1449 | G | 32.9 | Very low | 38.5 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 98.1 | 98.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1450 | H | 31.2 | Very low | 37.2 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -60.1 | 123.8 | 169.9 | -151.5 | -41.8 | 0 | 0 | 0 | 111.5 | D1452 | H1450-D1452 IonicContact CE1-OD2 2.95Å; H1450-D1452 PolarHBondContact CE1-OD2 3.14Å; H1450-D1452 VanDerWaalsContact CE1-OD2 3.27Å; H1450-D1452 IonicContact ND1-OD2 3.97Å | ||
| 1451 | F | 33.7 | Very low | 36.3 | Very low | 209 Ų | 209 | 146 Ų | 146 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -148.9 | 110.6 | 153.2 | -94.7 | -76 | 0 | 0 | 0 | 109.3 | ||||
| 1452 | D | 32.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -78.4 | 130.3 | 167.2 | -71.4 | -44.3 | 0 | 0 | 0 | 109.7 | H1450 | H1450-D1452 IonicContact CE1-OD2 2.95Å; H1450-D1452 PolarHBondContact CE1-OD2 3.14Å; H1450-D1452 VanDerWaalsContact CE1-OD2 3.27Å; H1450-D1452 IonicContact ND1-OD2 3.97Å | ||
| 1453 | Q | 33.9 | Very low | 35.6 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | -174.8 | 141.7 | 121.7 | -118.8 | 176.7 | 6.8 | 0 | 0 | 112.1 | |||||
| 1454 | E | 31.1 | Very low | 35.7 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -73.8 | 147.1 | -167.7 | -62.9 | 164.8 | 129.2 | 0 | 0 | 114.8 | ||||
| 1455 | G | 34 | Very low | 35.8 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 170.4 | 68.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1457 | G1455-R1457 PolarHBondContact O-N 2.9Š| ||
| 1456 | L | 31.3 | Very low | 35.8 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -28.7 | 119.7 | 178.9 | -99 | 76 | 0 | 0 | 0 | 117.3 | ||||
| 1457 | R | 33.1 | Very low | 35.7 | Very low | 242 Ų | 242 | 143.9 Ų | 143.9 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | trans | -132.2 | 129.9 | 137.5 | -79.4 | -168.4 | 174.8 | 177.7 | -0 | 109.2 | G1455 E1459 | G1455-R1457 PolarHBondContact O-N 2.9Å; R1457-E1459 PolarHBondContact O-N 2.91Å | ||
| 1458 | K | 39.4 | Very low | 35.6 | Very low | 213 Ų | 213 | 148.2 Ų | 148.2 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | trans | -58.8 | 104.2 | -179.2 | -80.2 | 174 | 170.6 | 175.8 | 0 | 110.6 | ||||
| 1459 | E | 33.8 | Very low | 35.8 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -81.7 | 133.8 | 169.1 | -73.6 | -174.9 | 159.1 | 0 | 0 | 111.1 | R1457 | R1457-E1459 PolarHBondContact O-N 2.91Š| ||
| 1460 | L | 36.2 | Very low | 35.6 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | -66.8 | 142.3 | 169.1 | -75.5 | 155.7 | 0 | 0 | 0 | 109.9 | G1462 | L1460-G1462 PolarHBondContact O-N 3.44Š| ||
| 1461 | P | 40 | Very low | 35.7 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -79.5 | 114.5 | -173.9 | 29.9 | -31.2 | 0 | 0 | 0 | 111.8 | ||
| 1462 | G | 40.5 | Very low | 35.8 | Very low | 36 Ų | 36 | 142.1 Ų | 142.1 | 37% | 0.371 | 72% | 0.72 | S | S | . | * | S | Bend | trans | 121.4 | 141.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1460 T1464 | L1460-G1462 PolarHBondContact O-N 3.44Å; G1462-T1464 PolarHBondContact O-N 2.65Å |
| 1463 | R | 42.4 | Very low | 35.8 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | trans | -68.3 | 94.2 | 173.3 | -79.1 | -176.2 | 175.5 | 174.3 | -1.6 | 108.3 | P1444 | P1444-R1463 VanDerWaalsContact CG-CZ 3.48Š| ||
| 1464 | T | 43.8 | Very low | 35.5 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -57.2 | 139.1 | 156.5 | 15.6 | 0 | 0 | 0 | 0 | 108 | G1462 E1466 | G1462-T1464 PolarHBondContact O-N 2.65Å; T1464-E1466 PolarHBondContact O-N 3.29Å; T1464-E1466 VanDerWaalsContact O-N 3.11Å | ||
| 1465 | M | 42.6 | Very low | 35.4 | Very low | 41 Ų | 41 | 133.8 Ų | 133.8 | 20% | 0.202 | 69% | 0.692 | C | S | . | * | trans | -45.2 | 121.3 | 166 | -81.2 | -91.2 | -74.3 | 0 | 0 | 108.5 | N1408 L1412 F1441 F1467 | N1408-M1465 VanDerWaalsContact OD1-CE 3.27Å; N1408-M1465 WeakPolarHBondContact OD1-CE 3.29Å; N1408-M1465 PolarHBondContact OD1-SD 3.03Å; L1412-M1465 HydrophobicContact CD1-CE 3.26Å; F1441-M1465 HydrophobicContact CE2-CG 4.08Å; M1465-F1467 VanDerWaalsContact C-N 3.34Å; M1465-F1467 HydrophobicContact CB-CD2 4.26Å; M1465-F1467 HydrophobicContact CB-CE2 3.91Å; M1465-F1467 WeakPolarHBondContact O-CD2 3.45Å; M1465-F1467 PolarHBondContact O-N 3.36Å | ||
| 1466 | E | 37.2 | Very low | 35.3 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | trans | -67.1 | 94.3 | 177.9 | -84.2 | -165.6 | 133.1 | 0 | 0 | 109 | T1464 R1468 | T1464-E1466 PolarHBondContact O-N 3.29Å; T1464-E1466 VanDerWaalsContact O-N 3.11Å; E1466-R1468 PolarHBondContact O-N 3.26Å; E1466-R1468 VanDerWaalsContact O-N 3.11Å; E1466-R1468 IonicContact OE1-CZ 3.18Å; E1466-R1468 IonicContact OE1-NE 2.94Å; E1466-R1468 PolarHBondContact OE1-NE 3.24Å; E1466-R1468 IonicContact OE1-NH2 3.56Å; E1466-R1468 PolarHBondContact OE1-NH2 3.35Å | ||
| 1467 | F | 36.4 | Very low | 35.3 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | trans | -79.6 | 74.8 | 164.6 | -70.4 | -83.3 | 0 | 0 | 0 | 108.5 | V1435 M1465 V1469 | V1435-F1467 HydrophobicContact CG2-CE2 4.25Å; V1435-F1467 HydrophobicContact CG2-CZ 4.01Å; M1465-F1467 VanDerWaalsContact C-N 3.34Å; M1465-F1467 HydrophobicContact CB-CD2 4.26Å; M1465-F1467 HydrophobicContact CB-CE2 3.91Å; M1465-F1467 WeakPolarHBondContact O-CD2 3.45Å; M1465-F1467 PolarHBondContact O-N 3.36Å; F1467-V1469 PolarHBondContact O-N 3.27Å | ||
| 1468 | R | 30.9 | Very low | 35.3 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | trans | -87.9 | 97.1 | 166.6 | -68.9 | -167.7 | -167.2 | -175.3 | 6.6 | 108.7 | E1466 | E1466-R1468 PolarHBondContact O-N 3.26Å; E1466-R1468 VanDerWaalsContact O-N 3.11Å; E1466-R1468 IonicContact OE1-CZ 3.18Å; E1466-R1468 IonicContact OE1-NE 2.94Å; E1466-R1468 PolarHBondContact OE1-NE 3.24Å; E1466-R1468 IonicContact OE1-NH2 3.56Å; E1466-R1468 PolarHBondContact OE1-NH2 3.35Å | ||
| 1469 | V | 33.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | trans | -91.1 | 108.7 | 158.9 | -179 | 0 | 0 | 0 | 0 | 105.5 | F1467 L1471 | F1467-V1469 PolarHBondContact O-N 3.27Å; V1469-L1471 PolarHBondContact O-N 3.26Å; V1469-L1471 VanDerWaalsContact O-N 3.09Å | ||
| 1470 | D | 28.9 | Very low | 34.4 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 56% | 0.556 | 67% | 0.672 | S | S | * | * | trans | -73.2 | 100.8 | 179.1 | -158 | -15.3 | 0 | 0 | 0 | 109 | S1472 T1473 | D1470-S1472 WeakPolarHBondContact OD1-CB 3.13Å; D1470-S1472 PolarHBondContact OD1-N 2.86Å; D1470-S1472 PolarHBondContact OD1-OG 3.26Å; D1470-T1473 PolarHBondContact O-OG1 3.38Å; D1470-T1473 VanDerWaalsContact O-OG1 3.06Å | ||
| 1471 | L | 34.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -79.4 | -7.1 | 176.3 | -70.8 | 166.9 | 0 | 0 | 0 | 112 | V1469 T1473 L1474 | V1469-L1471 PolarHBondContact O-N 3.26Å; V1469-L1471 VanDerWaalsContact O-N 3.09Å; L1471-T1473 PolarHBondContact O-N 3.48Å; L1471-L1474 HydrophobicContact CD2-CD2 4.5Å; L1471-L1474 WeakPolarHBondContact O-CB 3.49Å; L1471-L1474 PolarHBondContact O-N 2.92Å |
| 1472 | S | 35.4 | Very low | 33 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -73 | -12.9 | 176.3 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | D1470 L1474 | D1470-S1472 WeakPolarHBondContact OD1-CB 3.13Å; D1470-S1472 PolarHBondContact OD1-N 2.86Å; D1470-S1472 PolarHBondContact OD1-OG 3.26Å; S1472-L1474 VanDerWaalsContact C-N 3.29Å |
| 1473 | T | 32.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -87.1 | 3.2 | 168.5 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | D1470 L1471 | D1470-T1473 PolarHBondContact O-OG1 3.38Å; D1470-T1473 VanDerWaalsContact O-OG1 3.06Å; L1471-T1473 PolarHBondContact O-N 3.48Å |
| 1474 | L | 28.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | trans | -103.4 | 76.8 | 171.5 | -114.9 | 76.4 | 0 | 0 | 0 | 108.3 | L1471 S1472 L1476 | L1471-L1474 HydrophobicContact CD2-CD2 4.5Å; L1471-L1474 WeakPolarHBondContact O-CB 3.49Å; L1471-L1474 PolarHBondContact O-N 2.92Å; S1472-L1474 VanDerWaalsContact C-N 3.29Å; L1474-L1476 HydrophobicContact CB-CD1 4.03Å; L1474-L1476 HydrophobicContact CD2-CD1 3.79Å; L1474-L1476 HydrophobicContact CG-CD1 4.16Å; L1474-L1476 PolarHBondContact O-N 2.79Å | ||
| 1475 | D | 28.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | trans | -64.3 | 84.3 | 170.2 | -91.7 | -23.4 | 0 | 0 | 0 | 109.4 | E1477 | D1475-E1477 PolarHBondContact O-N 3.4Š| ||
| 1476 | L | 33.4 | Very low | 29.2 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -4.4 | -177.2 | -114.6 | 98 | 0 | 0 | 0 | 114.1 | L1474 | L1474-L1476 HydrophobicContact CB-CD1 4.03Å; L1474-L1476 HydrophobicContact CD2-CD1 3.79Å; L1474-L1476 HydrophobicContact CG-CD1 4.16Å; L1474-L1476 PolarHBondContact O-N 2.79Å |
| 1477 | E | 31 | Very low | 28.6 | Very low | 188 Ų | 188 | 131.6 Ų | 131.6 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -3.1 | -175.8 | -75.1 | -168.5 | 160.6 | 0 | 0 | 114.8 | D1475 | D1475-E1477 PolarHBondContact O-N 3.4Š|
| 1478 | K | 32.8 | Very low | 27.9 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -102.3 | 7.8 | -179.5 | -74.7 | -173.7 | 177.1 | 175.2 | 0 | 115.9 | ||
| 1479 | M | 27.7 | Very low | 27.6 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -89.1 | 1.1 | 175.9 | -149.6 | 78.6 | 107 | 0 | 0 | 114.5 | ||
| 1480 | C | 25.8 | Very low | 27 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -141 | 88.2 | 175.2 | -77.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1481 | N | 24.4 | Very low | 26.9 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 170.8 | 71.5 | 145.8 | -83 | -14.6 | 0 | 0 | 0 | 109 | T1483 | N1481-T1483 PolarHBondContact O-N 2.72Š| ||
| 1482 | S | 23.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -88.5 | 92.4 | 169.2 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1483 | T | 21.3 | Very low | 25.9 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -146.2 | 123.6 | 160.8 | 26.1 | 0 | 0 | 0 | 0 | 111.2 | N1481 | N1481-T1483 PolarHBondContact O-N 2.72Š| ||
| 1484 | L | 23.2 | Very low | 25.5 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 85.8 | 106.3 | 151.8 | -58 | 169.2 | 0 | 0 | 0 | 119.8 | ||||
| 1485 | S | 22.8 | Very low | 25.2 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 94.1 | 104.6 | 120.3 | -163.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1486 | G | 22.2 | Very low | 25.2 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | 105.3 | 115.8 | 116.7 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 1487 | G | 23.1 | Very low | 24.7 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 116.5 | 87.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1488 | E | 22.1 | Very low | 24.3 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 49.1 | 108.8 | 132.4 | -62.2 | 177.3 | 166.5 | 0 | 0 | 119.5 | ||||
| 1489 | S | 25 | Very low | 24.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | 166.4 | 121.7 | 106.7 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | V1491 | S1489-V1491 PolarHBondContact O-N 3.16Š| |||
| 1490 | D | 22.1 | Very low | 24 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -55.9 | 118.5 | -179.5 | -74.1 | -53.6 | 0 | 0 | 0 | 113.7 | ||||
| 1491 | V | 25.8 | Very low | 24.1 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -128.8 | 97.9 | 145.9 | 179.5 | 0 | 0 | 0 | 0 | 106.5 | S1489 | S1489-V1491 PolarHBondContact O-N 3.16Š| ||
| 1492 | A | 23.5 | Very low | 24.6 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -57.5 | 132.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K1494 | A1492-K1494 PolarHBondContact O-N 3.43Š| ||
| 1493 | P | 26.6 | Very low | 25 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | -77.8 | 112.8 | -169.9 | 29.8 | -32.2 | 0 | 0 | 0 | 110.5 | R1495 | P1493-R1495 PolarHBondContact O-N 2.98Š| ||
| 1494 | K | 23.4 | Very low | 25.7 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | -58 | 108.9 | 168.3 | -75.8 | -176.1 | 175.4 | -177.1 | 0 | 109.3 | A1492 | A1492-K1494 PolarHBondContact O-N 3.43Š| ||
| 1495 | R | 21.6 | Very low | 26.4 | Very low | 231 Ų | 231 | 129 Ų | 129 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | trans | -49.6 | 137.2 | 163.2 | -88.2 | 176.8 | 172.4 | 157 | -3 | 108.6 | P1493 Q1497 | P1493-R1495 PolarHBondContact O-N 2.98Å; R1495-Q1497 PolarHBondContact O-N 2.94Å | ||
| 1496 | P | 27.8 | Very low | 27.9 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | trans | -68.1 | 106.6 | -170.7 | 27.6 | -33.2 | 0 | 0 | 0 | 110.2 | C1498 | P1496-C1498 PolarHBondContact O-N 3.35Š| ||
| 1497 | Q | 23.6 | Very low | 29.8 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 84% | 0.836 | 68% | 0.678 | S | S | * | * | trans | -61.4 | 97.4 | 169.2 | -81.5 | 172.3 | -26.9 | 0 | 0 | 109.1 | R1495 | R1495-Q1497 PolarHBondContact O-N 2.94Š| ||
| 1498 | C | 21.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 81% | 0.811 | 67% | 0.67 | S | S | * | * | trans | -104.6 | 62.7 | 173.2 | -157.9 | 0 | 0 | 0 | 0 | 109.2 | P1496 | P1496-C1498 PolarHBondContact O-N 3.35Š| ||
| 1499 | S | 28.3 | Very low | 34.6 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 52% | 0.524 | 64% | 0.641 | S | S | . | * | trans | -137.6 | -12.2 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 115.8 | L1501 T1502 | S1499-L1501 PolarHBondContact O-N 3.5Å; S1499-T1502 PolarHBondContact O-OG1 2.82Å; S1499-T1502 VanDerWaalsContact O-OG1 3.05Å | ||
| 1500 | E | 26.4 | Very low | 37.2 | Very low | 147 Ų | 147 | 114 Ų | 114 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.7 | -27.7 | -176 | -74.9 | -170.7 | 156.3 | 0 | 0 | 114.8 | K1504 | E1500-K1504 PolarHBondContact O-N 3.12Å |
| 1501 | L | 28.6 | Very low | 40 | Very low | 117 Ų | 117 | 110.2 Ų | 110.2 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -79.9 | -25.7 | -175 | -68.9 | 177.4 | 0 | 0 | 0 | 113.8 | S1499 | S1499-L1501 PolarHBondContact O-N 3.5Å |
| 1502 | T | 33.4 | Very low | 42.7 | Very low | 89 Ų | 89 | 107.9 Ų | 107.9 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.8 | -37.6 | 171.2 | 41.7 | 0 | 0 | 0 | 0 | 110.9 | S1499 R1505 S1506 | S1499-T1502 PolarHBondContact O-OG1 2.82Å; S1499-T1502 VanDerWaalsContact O-OG1 3.05Å; T1502-R1505 PolarHBondContact O-N 3.46Å; T1502-S1506 PolarHBondContact O-N 2.86Å |
| 1503 | L | 33.4 | Very low | 45.7 | Very low | 102 Ų | 102 | 103.9 Ų | 103.9 | 53% | 0.534 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.9 | -74.6 | 166.1 | 0 | 0 | 0 | 112.5 | R1505 S1506 L1507 | L1503-R1505 VanDerWaalsContact C-N 3.3Å; L1503-R1505 PolarHBondContact O-N 3.11Å; L1503-S1506 PolarHBondContact O-N 3.31Å; L1503-L1507 PolarHBondContact O-N 3.44Å |
| 1504 | K | 35.1 | Very low | 48.5 | Very low | 156 Ų | 156 | 102.7 Ų | 102.7 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -32.8 | 177.8 | -81.7 | -176.1 | 177.1 | 174.4 | 0 | 114 | E1500 | E1500-K1504 PolarHBondContact O-N 3.12Å |
| 1505 | R | 37.7 | Very low | 51.5 | Low | 128 Ų | 128 | 98.8 Ų | 98.8 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.9 | -38.2 | 178.2 | -158.9 | 171.6 | -174.1 | 170.6 | -2.4 | 111.4 | T1502 L1503 N1508 | T1502-R1505 PolarHBondContact O-N 3.46Å; L1503-R1505 VanDerWaalsContact C-N 3.3Å; L1503-R1505 PolarHBondContact O-N 3.11Å; R1505-N1508 PolarHBondContact O-N 2.68Å |
| 1506 | S | 54.3 | Low | 54.6 | Low | 14 Ų | 14 | 88.8 Ų | 88.8 | 10% | 0.098 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 175.2 | -162.5 | 0 | 0 | 0 | 0 | 112 | D1188 F1189 T1502 L1503 N1508 N1509 Q1510 | D1188-S1506 WeakPolarHBondContact OD2-CA 3.37Å; F1189-S1506 WeakPolarHBondContact CE2-OG 3.29Å; F1189-S1506 WeakPolarHBondContact CZ-OG 2.96Å; T1502-S1506 PolarHBondContact O-N 2.86Å; L1503-S1506 PolarHBondContact O-N 3.31Å; S1506-N1508 VanDerWaalsContact C-N 3.34Å; S1506-N1508 PolarHBondContact O-N 2.82Å; S1506-N1509 PolarHBondContact O-N 3.03Å; S1506-Q1510 PolarHBondContact O-N 3.43Å |
| 1507 | L | 61.3 | Low | 57.4 | Low | 90 Ų | 90 | 82.9 Ų | 82.9 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | -179 | -146.3 | 84.3 | 0 | 0 | 0 | 112.7 | H1067 L1503 N1509 Q1510 V1511 | H1067-L1507 VanDerWaalsContact CE1-CD1 3.4Å; H1067-L1507 WeakPolarHBondContact CE1-CD1 3.19Å; L1503-L1507 PolarHBondContact O-N 3.44Å; L1507-N1509 VanDerWaalsContact C-N 3.34Å; L1507-N1509 PolarHBondContact O-N 3.38Å; L1507-Q1510 PolarHBondContact O-N 2.71Å; L1507-V1511 VanDerWaalsContact O-CG2 3.3Å; L1507-V1511 WeakPolarHBondContact O-CG2 3.23Å; L1507-V1511 PolarHBondContact O-N 2.82Å |
| 1508 | N | 71.6 | Confident | 60.2 | Low | 107 Ų | 107 | 76.3 Ų | 76.3 | 57% | 0.572 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | 179.2 | -80.1 | -16.1 | 0 | 0 | 0 | 112.9 | R1505 S1506 K1512 | R1505-N1508 PolarHBondContact O-N 2.68Å; S1506-N1508 VanDerWaalsContact C-N 3.34Å; S1506-N1508 PolarHBondContact O-N 2.82Å; N1508-K1512 WeakPolarHBondContact O-CG 3.46Å; N1508-K1512 PolarHBondContact O-N 3.2Å |
| 1509 | N | 75.9 | Confident | 63.2 | Low | 33 Ų | 33 | 71.6 Ų | 71.6 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -75.7 | -36 | 176.7 | -76 | -19.7 | 0 | 0 | 0 | 110.9 | D1188 S1506 L1507 V1511 K1512 V1513 | D1188-N1509 PolarHBondContact OD1-ND2 3.03Å; D1188-N1509 PolarHBondContact OD2-ND2 3.11Å; S1506-N1509 PolarHBondContact O-N 3.03Å; L1507-N1509 VanDerWaalsContact C-N 3.34Å; L1507-N1509 PolarHBondContact O-N 3.38Å; N1509-V1511 VanDerWaalsContact C-N 3.32Å; N1509-V1511 PolarHBondContact O-N 3.3Å; N1509-K1512 WeakPolarHBondContact O-CB 3.41Å; N1509-K1512 PolarHBondContact O-N 3.27Å; N1509-K1512 VanDerWaalsContact O-N 3.13Å; N1509-V1513 WeakPolarHBondContact O-CG2 2.9Å; N1509-V1513 PolarHBondContact O-N 3.15Å |
| 1510 | Q | 79 | Confident | 65.9 | Low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 170.8 | -82.5 | -65.7 | 6.1 | 0 | 0 | 113.1 | I1064 F1189 E1192 S1506 L1507 K1512 V1513 R1514 | I1064-Q1510 VanDerWaalsContact O-CD 3.3Å; I1064-Q1510 PolarHBondContact O-OE1 3.16Å; I1064-Q1510 VanDerWaalsContact O-OE1 3.09Å; F1189-Q1510 HydrophobicContact CD2-CG 4.07Å; F1189-Q1510 HydrophobicContact CE2-CG 3.62Å; F1189-Q1510 VanDerWaalsContact CE2-NE2 3.34Å; E1192-Q1510 PolarHBondContact OE1-NE2 3.3Å; E1192-Q1510 PolarHBondContact OE2-NE2 3.15Å; S1506-Q1510 PolarHBondContact O-N 3.43Å; L1507-Q1510 PolarHBondContact O-N 2.71Å; Q1510-K1512 VanDerWaalsContact C-N 3.28Å; Q1510-K1512 PolarHBondContact O-N 2.98Å; Q1510-V1513 PolarHBondContact O-N 2.68Å; Q1510-R1514 PolarHBondContact O-N 3.43Å |
| 1511 | V | 80.9 | Confident | 68.5 | Low | 59 Ų | 59 | 61.3 Ų | 61.3 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L1507 N1509 R1514 E1515 | L1507-V1511 VanDerWaalsContact O-CG2 3.3Å; L1507-V1511 WeakPolarHBondContact O-CG2 3.23Å; L1507-V1511 PolarHBondContact O-N 2.82Å; N1509-V1511 VanDerWaalsContact C-N 3.32Å; N1509-V1511 PolarHBondContact O-N 3.3Å; V1511-R1514 PolarHBondContact O-N 3.27Å; V1511-E1515 HydrophobicContact CG1-CG 4.35Å; V1511-E1515 WeakPolarHBondContact O-CB 3.32Å; V1511-E1515 VanDerWaalsContact O-CG 3.28Å; V1511-E1515 WeakPolarHBondContact O-CG 3.28Å; V1511-E1515 PolarHBondContact O-N 3.02Å |
| 1512 | K | 83.2 | Confident | 71 | Confident | 88 Ų | 88 | 59.6 Ų | 59.6 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.1 | -67.6 | 174.3 | -176 | 170.5 | 0 | 112.8 | E1186 N1508 N1509 Q1510 R1514 E1515 H1516 | E1186-K1512 VanDerWaalsContact OE2-CB 3.31Å; E1186-K1512 WeakPolarHBondContact OE2-CB 2.96Å; N1508-K1512 WeakPolarHBondContact O-CG 3.46Å; N1508-K1512 PolarHBondContact O-N 3.2Å; N1509-K1512 WeakPolarHBondContact O-CB 3.41Å; N1509-K1512 PolarHBondContact O-N 3.27Å; N1509-K1512 VanDerWaalsContact O-N 3.13Å; Q1510-K1512 VanDerWaalsContact C-N 3.28Å; Q1510-K1512 PolarHBondContact O-N 2.98Å; K1512-R1514 VanDerWaalsContact C-N 3.26Å; K1512-R1514 PolarHBondContact O-N 3.31Å; K1512-E1515 PolarHBondContact O-N 3.01Å; K1512-H1516 WeakPolarHBondContact O-CB 3.44Å; K1512-H1516 PolarHBondContact O-N 3.45Å; K1512-H1516 PolarHBondContact O-ND1 3.07Å; K1512-H1516 VanDerWaalsContact O-ND1 3.08Å |
| 1513 | V | 86.6 | Confident | 73 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.6 | -49.6 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | I1064 M1184 E1186 N1509 Q1510 H1516 L1517 | I1064-V1513 HydrophobicContact CD1-CG1 3.55Å; I1064-V1513 HydrophobicContact CG1-CG1 4.37Å; M1184-V1513 HydrophobicContact SD-CG1 4.17Å; E1186-V1513 HydrophobicContact CB-CG2 3.83Å; N1509-V1513 WeakPolarHBondContact O-CG2 2.9Å; N1509-V1513 PolarHBondContact O-N 3.15Å; Q1510-V1513 PolarHBondContact O-N 2.68Å; V1513-H1516 PolarHBondContact O-N 2.92Å; V1513-L1517 HydrophobicContact CG1-CD1 4.15Å; V1513-L1517 HydrophobicContact CG1-CG 4.46Å; V1513-L1517 VanDerWaalsContact O-CG 3.28Å; V1513-L1517 WeakPolarHBondContact O-CG 3.19Å; V1513-L1517 PolarHBondContact O-N 3.22Å |
| 1514 | R | 85.5 | Confident | 74.9 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 176.3 | 179.3 | 170.2 | -179.8 | -135.8 | 0.5 | 112.8 | A1061 I1064 C1065 Q1510 V1511 K1512 H1516 L1517 V1518 | A1061-R1514 WeakPolarHBondContact O-CD 3.31Å; A1061-R1514 WeakPolarHBondContact O-CG 3.44Å; A1061-R1514 PolarHBondContact O-NE 3.32Å; A1061-R1514 VanDerWaalsContact O-NE 3.12Å; I1064-R1514 HydrophobicContact CG2-CB 3.88Å; C1065-R1514 WeakPolarHBondContact SG-CD 3.36Å; Q1510-R1514 PolarHBondContact O-N 3.43Å; V1511-R1514 PolarHBondContact O-N 3.27Å; K1512-R1514 VanDerWaalsContact C-N 3.26Å; K1512-R1514 PolarHBondContact O-N 3.31Å; R1514-H1516 VanDerWaalsContact C-N 3.3Å; R1514-H1516 PolarHBondContact O-N 3.03Å; R1514-L1517 PolarHBondContact O-N 3.17Å; R1514-V1518 HydrophobicContact CG-CG2 4.37Å; R1514-V1518 WeakPolarHBondContact O-CB 3.28Å; R1514-V1518 VanDerWaalsContact O-CG2 3.28Å; R1514-V1518 WeakPolarHBondContact O-CG2 3.43Å; R1514-V1518 PolarHBondContact O-N 3.18Å |
| 1515 | E | 85.2 | Confident | 76.4 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 176.8 | -76.7 | 174.7 | 177.2 | 0 | 0 | 111.7 | V1511 K1512 V1518 A1519 | V1511-E1515 HydrophobicContact CG1-CG 4.35Å; V1511-E1515 WeakPolarHBondContact O-CB 3.32Å; V1511-E1515 VanDerWaalsContact O-CG 3.28Å; V1511-E1515 WeakPolarHBondContact O-CG 3.28Å; V1511-E1515 PolarHBondContact O-N 3.02Å; K1512-E1515 PolarHBondContact O-N 3.01Å; E1515-V1518 PolarHBondContact O-N 3.33Å; E1515-A1519 VanDerWaalsContact O-CB 3.28Å; E1515-A1519 WeakPolarHBondContact O-CB 3.46Å; E1515-A1519 PolarHBondContact O-N 3.36Å |
| 1516 | H | 86.2 | Confident | 77.6 | Confident | 21 Ų | 21 | 47 Ų | 47 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.6 | -65.3 | 141.6 | 0 | 0 | 0 | 112.5 | E1186 W1227 K1512 V1513 R1514 A1519 L1520 | E1186-H1516 VanDerWaalsContact CD-CE1 3.47Å; E1186-H1516 IonicContact OE1-CE1 3.35Å; E1186-H1516 IonicContact OE2-CE1 2.67Å; E1186-H1516 PolarHBondContact OE2-CE1 3.03Å; E1186-H1516 IonicContact OE2-ND1 2.94Å; E1186-H1516 PolarHBondContact OE2-ND1 3.06Å; W1227-H1516 AromaticContact CD1-CE1 3.86Å; W1227-H1516 AromaticContact CD1-NE2 3.34Å; W1227-H1516 VanDerWaalsContact CD1-NE2 3.34Å; W1227-H1516 AromaticContact CD2-CE1 4Å; W1227-H1516 AromaticContact CD2-NE2 3.72Å; W1227-H1516 AromaticContact CE2-CE1 3.33Å; W1227-H1516 AromaticContact CE2-ND1 3.86Å; W1227-H1516 AromaticContact CE2-NE2 3.49Å; W1227-H1516 AromaticContact CG-NE2 3.66Å; W1227-H1516 AromaticContact CZ2-CE1 3.61Å; W1227-H1516 AromaticContact CZ2-ND1 3.78Å; W1227-H1516 AromaticContact NE1-CE1 3.23Å; W1227-H1516 PolarHBondContact NE1-CE1 3.3Å; W1227-H1516 AromaticContact NE1-NE2 3.23Å; W1227-H1516 PolarHBondContact NE1-NE2 3.45Å; K1512-H1516 WeakPolarHBondContact O-CB 3.44Å; K1512-H1516 PolarHBondContact O-N 3.45Å; K1512-H1516 PolarHBondContact O-ND1 3.07Å; K1512-H1516 VanDerWaalsContact O-ND1 3.08Å; V1513-H1516 PolarHBondContact O-N 2.92Å; R1514-H1516 VanDerWaalsContact C-N 3.3Å; R1514-H1516 PolarHBondContact O-N 3.03Å; H1516-A1519 PolarHBondContact O-N 3.21Å; H1516-L1520 WeakPolarHBondContact O-CB 3.49Å; H1516-L1520 PolarHBondContact O-N 3.23Å |
| 1517 | L | 86.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.5 | -64.1 | 174.7 | 0 | 0 | 0 | 111.7 | L1057 L1060 A1061 I1064 I1180 V1513 R1514 L1520 L1521 | L1057-L1517 HydrophobicContact CD1-CB 3.88Å; L1057-L1517 HydrophobicContact CD1-CD2 3.5Å; L1057-L1517 VanDerWaalsContact CD1-CD2 3.5Å; L1057-L1517 HydrophobicContact CD1-CG 4.16Å; L1060-L1517 HydrophobicContact CD2-CD1 4.02Å; L1060-L1517 HydrophobicContact CD2-CD2 4.37Å; L1060-L1517 HydrophobicContact CG-CD1 3.97Å; A1061-L1517 HydrophobicContact CB-CB 3.89Å; I1064-L1517 HydrophobicContact CD1-CD1 4.01Å; I1064-L1517 HydrophobicContact CG2-CD1 4.41Å; I1180-L1517 HydrophobicContact CG1-CD2 4.33Å; I1180-L1517 HydrophobicContact CG2-CD2 4.35Å; V1513-L1517 HydrophobicContact CG1-CD1 4.15Å; V1513-L1517 HydrophobicContact CG1-CG 4.46Å; V1513-L1517 VanDerWaalsContact O-CG 3.28Å; V1513-L1517 WeakPolarHBondContact O-CG 3.19Å; V1513-L1517 PolarHBondContact O-N 3.22Å; R1514-L1517 PolarHBondContact O-N 3.17Å; L1517-L1520 WeakPolarHBondContact O-CB 3.28Å; L1517-L1520 PolarHBondContact O-N 3.2Å; L1517-L1521 PolarHBondContact O-N 2.8Å |
| 1518 | V | 84 | Confident | 76.5 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | A1061 R1514 E1515 L1520 L1521 N1522 | A1061-V1518 HydrophobicContact CB-CG2 4.07Å; R1514-V1518 HydrophobicContact CG-CG2 4.37Å; R1514-V1518 WeakPolarHBondContact O-CB 3.28Å; R1514-V1518 VanDerWaalsContact O-CG2 3.28Å; R1514-V1518 WeakPolarHBondContact O-CG2 3.43Å; R1514-V1518 PolarHBondContact O-N 3.18Å; E1515-V1518 PolarHBondContact O-N 3.33Å; V1518-L1520 VanDerWaalsContact C-N 3.28Å; V1518-L1520 PolarHBondContact O-N 3.26Å; V1518-L1521 WeakPolarHBondContact O-CB 3.28Å; V1518-L1521 PolarHBondContact O-N 3.49Å; V1518-N1522 PolarHBondContact O-N 3.1Å; V1518-N1522 PolarHBondContact O-ND2 3.15Å |
| 1519 | A | 84 | Confident | 75 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1225 E1515 H1516 N1522 A1523 | L1225-A1519 HydrophobicContact CD2-CB 3.93Å; E1515-A1519 VanDerWaalsContact O-CB 3.28Å; E1515-A1519 WeakPolarHBondContact O-CB 3.46Å; E1515-A1519 PolarHBondContact O-N 3.36Å; H1516-A1519 PolarHBondContact O-N 3.21Å; A1519-N1522 PolarHBondContact O-N 3.46Å; A1519-A1523 WeakPolarHBondContact O-CB 3.37Å; A1519-A1523 PolarHBondContact O-N 3.39Å |
| 1520 | L | 84.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 176.3 | -176.4 | 62.4 | 0 | 0 | 0 | 112.1 | L1057 W1179 I1180 M1221 L1225 H1516 L1517 V1518 A1523 S1524 | L1057-L1520 HydrophobicContact CD1-CD2 4.38Å; L1057-L1520 HydrophobicContact CD2-CB 4.03Å; L1057-L1520 HydrophobicContact CD2-CD2 3.66Å; L1057-L1520 HydrophobicContact CD2-CG 3.7Å; W1179-L1520 HydrophobicContact CB-CD1 3.72Å; W1179-L1520 HydrophobicContact CB-CD2 3.75Å; W1179-L1520 HydrophobicContact CB-CG 4.38Å; W1179-L1520 HydrophobicContact CG-CD1 4.27Å; I1180-L1520 HydrophobicContact CG1-CD2 3.71Å; M1221-L1520 HydrophobicContact CE-CD1 3.57Å; L1225-L1520 HydrophobicContact CD2-CB 3.68Å; L1225-L1520 HydrophobicContact CD2-CD1 4.07Å; L1225-L1520 HydrophobicContact CD2-CG 4.49Å; L1225-L1520 VanDerWaalsContact CD2-N 3.25Å; H1516-L1520 WeakPolarHBondContact O-CB 3.49Å; H1516-L1520 PolarHBondContact O-N 3.23Å; L1517-L1520 WeakPolarHBondContact O-CB 3.28Å; L1517-L1520 PolarHBondContact O-N 3.2Å; V1518-L1520 VanDerWaalsContact C-N 3.28Å; V1518-L1520 PolarHBondContact O-N 3.26Å; L1520-A1523 PolarHBondContact O-N 2.57Å; L1520-S1524 WeakPolarHBondContact O-CB 3.01Å; L1520-S1524 PolarHBondContact O-N 2.75Å; L1520-S1524 PolarHBondContact O-OG 3.37Å |
| 1521 | L | 81.8 | Confident | 70.9 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 172.2 | -74 | 162.5 | 0 | 0 | 0 | 112.3 | N1054 L1057 A1058 A1061 L1517 V1518 S1524 G1525 L1526 | N1054-L1521 HydrophobicContact CB-CD2 4.41Å; N1054-L1521 VanDerWaalsContact O-CD2 3.27Å; N1054-L1521 WeakPolarHBondContact O-CD2 3.25Å; L1057-L1521 HydrophobicContact CB-CD2 3.9Å; L1057-L1521 HydrophobicContact CB-CG 4.36Å; L1057-L1521 HydrophobicContact CD2-CD2 3.65Å; L1057-L1521 HydrophobicContact CD2-CG 3.58Å; L1057-L1521 HydrophobicContact CG-CD1 4.06Å; L1057-L1521 HydrophobicContact CG-CD2 3.7Å; L1057-L1521 HydrophobicContact CG-CG 3.62Å; A1058-L1521 HydrophobicContact CB-CD1 4.11Å; A1058-L1521 HydrophobicContact CB-CD2 4.21Å; A1061-L1521 HydrophobicContact CB-CD1 4.22Å; L1517-L1521 PolarHBondContact O-N 2.8Å; V1518-L1521 WeakPolarHBondContact O-CB 3.28Å; V1518-L1521 PolarHBondContact O-N 3.49Å; L1521-S1524 PolarHBondContact O-N 2.84Å; L1521-S1524 PolarHBondContact O-OG 3.43Å; L1521-G1525 PolarHBondContact O-N 3.19Å; L1521-L1526 PolarHBondContact O-N 2.87Å |
| 1522 | N | 81.4 | Confident | 68.4 | Low | 82 Ų | 82 | 71.4 Ų | 71.4 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 178.2 | -72.8 | -34.6 | 0 | 0 | 0 | 111.2 | V1518 A1519 S1524 G1525 L1526 | V1518-N1522 PolarHBondContact O-N 3.1Å; V1518-N1522 PolarHBondContact O-ND2 3.15Å; A1519-N1522 PolarHBondContact O-N 3.46Å; N1522-S1524 VanDerWaalsContact C-N 3.29Å; N1522-S1524 PolarHBondContact O-N 2.97Å; N1522-G1525 PolarHBondContact O-N 3.28Å; N1522-G1525 VanDerWaalsContact O-N 3.16Å; N1522-L1526 PolarHBondContact OD1-O 3.25Å |
| 1523 | A | 75.2 | Confident | 65.7 | Low | 31 Ų | 31 | 70.7 Ų | 70.7 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -31.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1224 A1519 L1520 G1525 | Q1224-A1523 HydrophobicContact CB-CB 3.86Å; A1519-A1523 WeakPolarHBondContact O-CB 3.37Å; A1519-A1523 PolarHBondContact O-N 3.39Å; L1520-A1523 PolarHBondContact O-N 2.57Å; A1523-G1525 PolarHBondContact O-N 3.41Å |
| 1524 | S | 72.3 | Confident | 62.9 | Low | 38 Ų | 38 | 76.2 Ų | 76.2 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.4 | 175.7 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | N1054 Q1176 L1520 L1521 N1522 | N1054-S1524 VanDerWaalsContact CG-OG 3.3Å; N1054-S1524 PolarHBondContact ND2-OG 3.28Å; N1054-S1524 WeakPolarHBondContact OD1-CB 3.34Å; N1054-S1524 PolarHBondContact OD1-OG 3.41Å; Q1176-S1524 VanDerWaalsContact NE2-CB 3.25Å; L1520-S1524 WeakPolarHBondContact O-CB 3.01Å; L1520-S1524 PolarHBondContact O-N 2.75Å; L1520-S1524 PolarHBondContact O-OG 3.37Å; L1521-S1524 PolarHBondContact O-N 2.84Å; L1521-S1524 PolarHBondContact O-OG 3.43Å; N1522-S1524 VanDerWaalsContact C-N 3.29Å; N1522-S1524 PolarHBondContact O-N 2.97Å |
| 1525 | G | 67.5 | Low | 60.3 | Low | 63 Ų | 63 | 73.2 Ų | 73.2 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | 4.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1521 N1522 A1523 | L1521-G1525 PolarHBondContact O-N 3.19Å; N1522-G1525 PolarHBondContact O-N 3.28Å; N1522-G1525 VanDerWaalsContact O-N 3.16Å; A1523-G1525 PolarHBondContact O-N 3.41Å |
| 1526 | L | 62.1 | Low | 57.8 | Low | 77 Ų | 77 | 71.1 Ų | 71.1 | 40% | 0.403 | 40% | 0.401 | S | S | . | . | trans | -96.9 | 100.2 | 174.6 | -75.5 | 157.4 | 0 | 0 | 0 | 109.7 | N1054 L1521 N1522 V1528 | N1054-L1526 HydrophobicContact CB-CD1 3.42Å; N1054-L1526 VanDerWaalsContact CB-CD1 3.42Å; N1054-L1526 WeakPolarHBondContact ND2-CD1 3.32Å; L1521-L1526 PolarHBondContact O-N 2.87Å; N1522-L1526 PolarHBondContact OD1-O 3.25Å; L1526-V1528 HydrophobicContact CB-CG2 4.27Å; L1526-V1528 PolarHBondContact O-N 2.96Å; L1526-V1528 VanDerWaalsContact O-N 3.1Å | ||
| 1527 | R | 46.3 | Very low | 55.4 | Low | 239 Ų | 239 | 71.6 Ų | 71.6 | 90% | 0.902 | 40% | 0.404 | S | S | * | . | trans | -75.8 | 92.1 | 167 | -71.1 | -171.8 | -174.7 | -173.5 | 1.3 | 108.5 | G1529 | R1527-G1529 PolarHBondContact O-N 3.29Š| ||
| 1528 | V | 46 | Very low | 52.8 | Low | 62 Ų | 62 | 76 Ų | 76 | 38% | 0.376 | 42% | 0.423 | S | S | . | . | trans | -82.3 | 104.1 | 176.9 | -167.9 | 0 | 0 | 0 | 0 | 108.4 | L1526 L1530 | L1526-V1528 HydrophobicContact CB-CG2 4.27Å; L1526-V1528 PolarHBondContact O-N 2.96Å; L1526-V1528 VanDerWaalsContact O-N 3.1Å; V1528-L1530 VanDerWaalsContact C-N 3.27Å; V1528-L1530 HydrophobicContact CB-CG 4.26Å; V1528-L1530 HydrophobicContact CG1-CB 4.31Å; V1528-L1530 HydrophobicContact CG1-CD2 3.63Å; V1528-L1530 HydrophobicContact CG1-CG 3.64Å; V1528-L1530 PolarHBondContact O-N 3.32Å; V1528-L1530 VanDerWaalsContact O-N 3.15Å | ||
| 1529 | G | 41.2 | Very low | 50.3 | Low | 69 Ų | 69 | 77.5 Ų | 77.5 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | trans | -69.7 | 95.5 | 149 | 0 | 0 | 0 | 0 | 0 | 105.9 | R1527 I1531 | R1527-G1529 PolarHBondContact O-N 3.29Å; G1529-I1531 VanDerWaalsContact C-N 3.28Å; G1529-I1531 PolarHBondContact O-N 2.88Å | ||
| 1530 | L | 36.1 | Very low | 47.7 | Very low | 82 Ų | 82 | 80.2 Ų | 80.2 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | trans | -64.2 | 88.2 | -176.5 | -77.9 | 157.7 | 0 | 0 | 0 | 109 | V1528 R1532 | V1528-L1530 VanDerWaalsContact C-N 3.27Å; V1528-L1530 HydrophobicContact CB-CG 4.26Å; V1528-L1530 HydrophobicContact CG1-CB 4.31Å; V1528-L1530 HydrophobicContact CG1-CD2 3.63Å; V1528-L1530 HydrophobicContact CG1-CG 3.64Å; V1528-L1530 PolarHBondContact O-N 3.32Å; V1528-L1530 VanDerWaalsContact O-N 3.15Å; L1530-R1532 PolarHBondContact O-N 3.45Å | ||
| 1531 | I | 32.9 | Very low | 45.3 | Very low | 143 Ų | 143 | 83.5 Ų | 83.5 | 73% | 0.733 | 47% | 0.468 | S | S | * | . | trans | -67.6 | 111.5 | 155.4 | -56.7 | 168.9 | 0 | 0 | 0 | 103.3 | G1529 S1533 | G1529-I1531 VanDerWaalsContact C-N 3.28Å; G1529-I1531 PolarHBondContact O-N 2.88Å; I1531-S1533 VanDerWaalsContact C-N 3.33Å; I1531-S1533 PolarHBondContact O-N 3.33Å; I1531-S1533 PolarHBondContact O-OG 2.97Å | ||
| 1532 | R | 27 | Very low | 43.1 | Very low | 224 Ų | 224 | 85.3 Ų | 85.3 | 85% | 0.845 | 48% | 0.481 | S | S | * | . | trans | -48 | 104.5 | 170.9 | -83.2 | -178.1 | 172.6 | 168.5 | -3.7 | 106.7 | L1530 | L1530-R1532 PolarHBondContact O-N 3.45Š| ||
| 1533 | S | 27.5 | Very low | 40.7 | Very low | 73 Ų | 73 | 87.8 Ų | 87.8 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | trans | -87.3 | 117.2 | 178.1 | -62 | 0 | 0 | 0 | 0 | 103.6 | E1062 I1531 S1535 | E1062-S1533 PolarHBondContact OE1-N 2.94Å; I1531-S1533 VanDerWaalsContact C-N 3.33Å; I1531-S1533 PolarHBondContact O-N 3.33Å; I1531-S1533 PolarHBondContact O-OG 2.97Å; S1533-S1535 PolarHBondContact O-N 3.15Å | ||
| 1534 | P | 27.9 | Very low | 38.5 | Very low | 115 Ų | 115 | 89.2 Ų | 89.2 | 75% | 0.747 | 49% | 0.493 | S | S | * | . | trans | -55.9 | 111.5 | -178.4 | 20.8 | -30 | 0 | 0 | 0 | 107.9 | I1536 | P1534-I1536 VanDerWaalsContact C-N 3.32Å; P1534-I1536 PolarHBondContact O-N 3.43Å | ||
| 1535 | S | 31 | Very low | 36.7 | Very low | 37 Ų | 37 | 90.1 Ų | 90.1 | 26% | 0.259 | 50% | 0.497 | S | S | . | . | trans | -81.9 | 78.2 | -170.4 | 42.7 | 0 | 0 | 0 | 0 | 108.3 | S1533 I1537 | S1533-S1535 PolarHBondContact O-N 3.15Å; S1535-I1537 PolarHBondContact O-N 3.08Å | ||
| 1536 | I | 33.4 | Very low | 35.1 | Very low | 70 Ų | 70 | 91.4 Ų | 91.4 | 36% | 0.359 | 49% | 0.488 | S | S | . | . | trans | -74.6 | 103.6 | -177.1 | -54.6 | 169.4 | 0 | 0 | 0 | 108.2 | V700 P1534 F1538 | V700-I1536 HydrophobicContact CB-CD1 4.25Å; V700-I1536 HydrophobicContact CG1-CD1 3.5Å; P1534-I1536 VanDerWaalsContact C-N 3.32Å; P1534-I1536 PolarHBondContact O-N 3.43Å; I1536-F1538 HydrophobicContact CB-CD2 4.26Å; I1536-F1538 HydrophobicContact CB-CE2 3.75Å; I1536-F1538 HydrophobicContact CB-CZ 4.17Å; I1536-F1538 HydrophobicContact CG2-CD1 4.26Å; I1536-F1538 HydrophobicContact CG2-CD2 3.82Å; I1536-F1538 HydrophobicContact CG2-CE1 3.86Å; I1536-F1538 HydrophobicContact CG2-CE2 3.36Å; I1536-F1538 HydrophobicContact CG2-CG 4.23Å; I1536-F1538 HydrophobicContact CG2-CZ 3.37Å; I1536-F1538 PolarHBondContact O-N 3.46Å | ||
| 1537 | I | 33.9 | Very low | 33.7 | Very low | 32 Ų | 32 | 91.2 Ų | 91.2 | 16% | 0.164 | 49% | 0.493 | C | S | . | . | trans | -73.9 | 112.2 | 171.4 | -51.9 | 166.7 | 0 | 0 | 0 | 106.5 | D1070 M1071 S1535 S1539 | D1070-I1537 HydrophobicContact CB-CD1 4.21Å; M1071-I1537 HydrophobicContact CE-CD1 4.05Å; M1071-I1537 HydrophobicContact CG-CD1 3.83Å; M1071-I1537 HydrophobicContact SD-CD1 3.17Å; M1071-I1537 WeakPolarHBondContact SD-CD1 3.49Å; M1071-I1537 HydrophobicContact SD-CG1 3.84Å; S1535-I1537 PolarHBondContact O-N 3.08Å; I1537-S1539 VanDerWaalsContact CG2-OG 3.28Å; I1537-S1539 WeakPolarHBondContact CG2-OG 3.21Å | ||
| 1538 | F | 33.5 | Very low | 32.8 | Very low | 91 Ų | 91 | 85.5 Ų | 85.5 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | trans | -97.4 | 29.7 | -179.9 | -82 | -70.5 | 0 | 0 | 0 | 112.8 | V700 I1536 | V700-F1538 HydrophobicContact CG1-CE2 3.68Å; V700-F1538 HydrophobicContact CG1-CZ 3.33Å; I1536-F1538 HydrophobicContact CB-CD2 4.26Å; I1536-F1538 HydrophobicContact CB-CE2 3.75Å; I1536-F1538 HydrophobicContact CB-CZ 4.17Å; I1536-F1538 HydrophobicContact CG2-CD1 4.26Å; I1536-F1538 HydrophobicContact CG2-CD2 3.82Å; I1536-F1538 HydrophobicContact CG2-CE1 3.86Å; I1536-F1538 HydrophobicContact CG2-CE2 3.36Å; I1536-F1538 HydrophobicContact CG2-CG 4.23Å; I1536-F1538 HydrophobicContact CG2-CZ 3.37Å; I1536-F1538 PolarHBondContact O-N 3.46Å | ||
| 1539 | S | 30.5 | Very low | 32.2 | Very low | 73 Ų | 73 | 87.7 Ų | 87.7 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -103 | 4.4 | 178.2 | 56 | 0 | 0 | 0 | 0 | 114.7 | I1537 | I1537-S1539 VanDerWaalsContact CG2-OG 3.28Å; I1537-S1539 WeakPolarHBondContact CG2-OG 3.21Å |
| 1540 | Q | 29.8 | Very low | 31.6 | Very low | 78 Ų | 78 | 90.7 Ų | 90.7 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -123.7 | 146.5 | 169.9 | -78.6 | -178.6 | -3.6 | 0 | 0 | 111.8 | D1070 S1542 | D1070-Q1540 VanDerWaalsContact CG-NE2 3.33Å; D1070-Q1540 PolarHBondContact OD1-NE2 3.1Å; D1070-Q1540 PolarHBondContact OD2-OE1 3.05Å; D1070-Q1540 VanDerWaalsContact OD2-OE1 3.14Å; Q1540-S1542 PolarHBondContact O-N 3.37Å |
| 1541 | S | 35.1 | Very low | 31.2 | Very low | 68 Ų | 68 | 90.6 Ų | 90.6 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | trans | -40.6 | 131.4 | 166.6 | 56.6 | 0 | 0 | 0 | 0 | 108.4 | H1543 | S1541-H1543 PolarHBondContact O-N 3.38Š| ||
| 1542 | S | 35 | Very low | 30.9 | Very low | 44 Ų | 44 | 87.2 Ų | 87.2 | 31% | 0.308 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 16.2 | -173.3 | 59 | 0 | 0 | 0 | 0 | 115 | Q1540 | Q1540-S1542 PolarHBondContact O-N 3.37Š|
| 1543 | H | 29.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 78.9 Ų | 78.9 | 63% | 0.625 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -38.4 | -179.2 | -152.8 | -51.2 | 0 | 0 | 0 | 112 | S1541 | S1541-H1543 PolarHBondContact O-N 3.38Š|
| 1544 | D | 30.7 | Very low | 31.1 | Very low | 61 Ų | 61 | 84.7 Ų | 84.7 | 33% | 0.326 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -84 | -32.6 | -171.9 | -65.8 | -34.9 | 0 | 0 | 0 | 113.2 | I1546 C1547 E1548 | D1544-I1546 PolarHBondContact O-N 3.44Å; D1544-I1546 VanDerWaalsContact O-N 3.16Å; D1544-C1547 PolarHBondContact O-N 2.86Å; D1544-E1548 PolarHBondContact O-N 3.27Å |
| 1545 | V | 34.1 | Very low | 31 | Very low | 56 Ų | 56 | 84.6 Ų | 84.6 | 34% | 0.339 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -28.2 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | C1547 E1548 L1549 | V1545-C1547 VanDerWaalsContact C-N 3.3Å; V1545-C1547 PolarHBondContact O-N 2.63Å; V1545-E1548 PolarHBondContact O-N 2.66Å; V1545-L1549 HydrophobicContact CG1-CD1 3.48Å; V1545-L1549 VanDerWaalsContact CG1-CD1 3.48Å; V1545-L1549 WeakPolarHBondContact O-CB 3.41Å; V1545-L1549 PolarHBondContact O-N 2.75Å |
| 1546 | I | 33 | Very low | 30.7 | Very low | 91 Ų | 91 | 88 Ų | 88 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -33.4 | 178.3 | -63 | 174.6 | 0 | 0 | 0 | 111.1 | I832 D1544 | I832-I1546 HydrophobicContact CG2-CD1 4.41Å; D1544-I1546 PolarHBondContact O-N 3.44Å; D1544-I1546 VanDerWaalsContact O-N 3.16Å |
| 1547 | C | 32.2 | Very low | 30.3 | Very low | 73 Ų | 73 | 90.7 Ų | 90.7 | 49% | 0.493 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -78.1 | -34.4 | 178.7 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | D1544 V1545 S1551 | D1544-C1547 PolarHBondContact O-N 2.86Å; V1545-C1547 VanDerWaalsContact C-N 3.3Å; V1545-C1547 PolarHBondContact O-N 2.63Å; C1547-S1551 PolarHBondContact O-OG 3.38Å |
| 1548 | E | 28.4 | Very low | 29.9 | Very low | 118 Ų | 118 | 92.9 Ų | 92.9 | 55% | 0.551 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -80.6 | -33.9 | 177.4 | -74.5 | -163.6 | 153.3 | 0 | 0 | 114.2 | D1544 V1545 M1550 S1551 S1552 | D1544-E1548 PolarHBondContact O-N 3.27Å; V1545-E1548 PolarHBondContact O-N 2.66Å; E1548-M1550 VanDerWaalsContact C-N 3.28Å; E1548-M1550 PolarHBondContact O-N 3.49Å; E1548-S1551 PolarHBondContact O-N 2.94Å; E1548-S1552 PolarHBondContact O-N 2.94Å; E1548-S1552 PolarHBondContact O-OG 2.94Å |
| 1549 | L | 32.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 97.4 Ų | 97.4 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.7 | -29.8 | 177.8 | -116.5 | 99 | 0 | 0 | 0 | 112.5 | V1545 S1551 S1552 A1553 | V1545-L1549 HydrophobicContact CG1-CD1 3.48Å; V1545-L1549 VanDerWaalsContact CG1-CD1 3.48Å; V1545-L1549 WeakPolarHBondContact O-CB 3.41Å; V1545-L1549 PolarHBondContact O-N 2.75Å; L1549-S1551 PolarHBondContact O-N 3.08Å; L1549-S1552 WeakPolarHBondContact CA-OG 3.37Å; L1549-A1553 WeakPolarHBondContact O-CB 3.3Å; L1549-A1553 PolarHBondContact O-N 3.32Å; L1549-A1553 VanDerWaalsContact O-N 3.09Å |
| 1550 | M | 29.7 | Very low | 29 | Very low | 133 Ų | 133 | 102.3 Ų | 102.3 | 66% | 0.655 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.8 | -25.3 | 172.2 | -79.7 | -75.7 | -69.4 | 0 | 0 | 112.4 | E1548 | E1548-M1550 VanDerWaalsContact C-N 3.28Å; E1548-M1550 PolarHBondContact O-N 3.49Å |
| 1551 | S | 27.2 | Very low | 28.7 | Very low | 80 Ų | 80 | 105.2 Ų | 105.2 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -88 | -34.7 | 179.1 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | C1547 E1548 L1549 | C1547-S1551 PolarHBondContact O-OG 3.38Å; E1548-S1551 PolarHBondContact O-N 2.94Å; L1549-S1551 PolarHBondContact O-N 3.08Å |
| 1552 | S | 27.9 | Very low | 28.1 | Very low | 71 Ų | 71 | 106.5 Ų | 106.5 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -84.3 | -23.4 | 179.8 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | E1548 L1549 Y1554 S1555 | E1548-S1552 PolarHBondContact O-N 2.94Å; E1548-S1552 PolarHBondContact O-OG 2.94Å; L1549-S1552 WeakPolarHBondContact CA-OG 3.37Å; S1552-Y1554 PolarHBondContact O-N 3.02Å; S1552-Y1554 VanDerWaalsContact O-N 3.16Å; S1552-S1555 PolarHBondContact O-N 2.98Å |
| 1553 | A | 29.7 | Very low | 27.6 | Very low | 50 Ų | 50 | 111.3 Ų | 111.3 | 41% | 0.413 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | -11 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1549 | L1549-A1553 WeakPolarHBondContact O-CB 3.3Å; L1549-A1553 PolarHBondContact O-N 3.32Å; L1549-A1553 VanDerWaalsContact O-N 3.09Å |
| 1554 | Y | 28.9 | Very low | 27.2 | Very low | 195 Ų | 195 | 108.6 Ų | 108.6 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 7.6 | 176.7 | -77.8 | -78.7 | 0 | 0 | 0 | 114.9 | S1552 | S1552-Y1554 PolarHBondContact O-N 3.02Å; S1552-Y1554 VanDerWaalsContact O-N 3.16Å |
| 1555 | S | 25.7 | Very low | 26.8 | Very low | 113 Ų | 113 | 113 Ų | 113 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -122 | 38 | 175.7 | -83.9 | 0 | 0 | 0 | 0 | 114.7 | S1552 | S1552-S1555 PolarHBondContact O-N 2.98Š|
| 1556 | S | 23.9 | Very low | 26.4 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | -122.3 | 67.1 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1557 | S | 24.2 | Very low | 26 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -104.8 | 92.4 | 158.3 | 70.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1558 | G | 25.6 | Very low | 25.5 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -119.2 | 80.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1559 | E | 22.9 | Very low | 25.2 | Very low | 186 Ų | 186 | 126 Ų | 126 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -71.9 | 138.5 | 167.3 | -83.5 | -170 | 147.2 | 0 | 0 | 111.6 | T1561 | E1559-T1561 PolarHBondContact O-N 2.75Š| ||
| 1560 | L | 23.5 | Very low | 24.9 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -55.5 | 116.1 | 178.5 | -71.9 | 128.9 | 0 | 0 | 0 | 112.3 | ||||
| 1561 | T | 23.1 | Very low | 24.6 | Very low | 139 Ų | 139 | 121.8 Ų | 121.8 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -126 | 87.9 | 164.2 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | E1559 | E1559-T1561 PolarHBondContact O-N 2.75Š| ||
| 1562 | A | 21.9 | Very low | 24.8 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | -78.9 | 117.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1563 | V | 24 | Very low | 24.7 | Very low | 144 Ų | 144 | 129 Ų | 129 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | trans | 166.1 | 122.5 | 141.2 | 159.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1564 | A | 23.1 | Very low | 24.5 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | trans | -68 | 160.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1565 | D | 21.8 | Very low | 24.5 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 66.2 | 95 | 156.6 | -64.6 | -19.5 | 0 | 0 | 0 | 118.8 | ||||
| 1566 | R | 25.8 | Very low | 24.5 | Very low | 246 Ų | 246 | 132.7 Ų | 132.7 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | -154.5 | 109.6 | 127.4 | -71.4 | -153.6 | -179.9 | 175.4 | 1.4 | 112.2 | |||||
| 1567 | I | 24 | Very low | 24.6 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | 5.9 | 114.8 | 148.8 | -60 | 163.5 | 0 | 0 | 0 | 117.4 | ||||
| 1568 | S | 22.1 | Very low | 24.8 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | 41.4 | 113.6 | 128.3 | -42.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1569 | T | 22.9 | Very low | 25 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | 161 | 108.5 | 100.3 | 47.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1570 | A | 24.3 | Very low | 25.3 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -170.1 | 97.9 | 145 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1571 | S | 24.8 | Very low | 25.8 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 50% | 0.497 | 75% | 0.752 | S | S | . | * | trans | -66.5 | 137.5 | 175.6 | -69.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1572 | P | 30.2 | Very low | 26.2 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -87.8 | 129.9 | -178.5 | 34.1 | -31.4 | 0 | 0 | 0 | 111.1 | ||||
| 1573 | E | 25.4 | Very low | 26.7 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -138.9 | 85.3 | 157.6 | -74 | -170 | 168.6 | 0 | 0 | 107.8 | ||||
| 1574 | H | 26.5 | Very low | 26.8 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 61% | 0.606 | 74% | 0.742 | S | S | * | * | trans | -133.9 | 101.4 | 150.9 | -92.4 | -67.2 | 0 | 0 | 0 | 107.1 | F1576 | H1574-F1576 PolarHBondContact O-N 3.29Š| ||
| 1575 | S | 28 | Very low | 27.2 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -60.8 | 107 | 171.9 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | H1577 | S1575-H1577 PolarHBondContact O-N 3.2Š| ||
| 1576 | F | 26.6 | Very low | 27.9 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | trans | -63.9 | 118.8 | 162.4 | -81.7 | -93.9 | 0 | 0 | 0 | 107.9 | H1574 D1578 | H1574-F1576 PolarHBondContact O-N 3.29Å; F1576-D1578 PolarHBondContact O-N 3.26Å | ||
| 1577 | H | 26.3 | Very low | 28.2 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | trans | -75.9 | 114.9 | 168.8 | -117.2 | -62.1 | 0 | 0 | 0 | 107.3 | S1575 I1579 | S1575-H1577 PolarHBondContact O-N 3.2Å; H1577-I1579 PolarHBondContact O-N 3.07Å | ||
| 1578 | D | 28.5 | Very low | 28.6 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | trans | -56.9 | 99.2 | 171.7 | -71.4 | -39.8 | 0 | 0 | 0 | 110.3 | F1576 T1580 | F1576-D1578 PolarHBondContact O-N 3.26Å; D1578-T1580 VanDerWaalsContact C-N 3.27Å; D1578-T1580 PolarHBondContact O-N 3.05Å | ||
| 1579 | I | 29.2 | Very low | 29.5 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 83% | 0.826 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 69 | 163.8 | -56.1 | 173.9 | 0 | 0 | 0 | 106.8 | H1577 | H1577-I1579 PolarHBondContact O-N 3.07Š|
| 1580 | T | 30 | Very low | 29.9 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | 5.9 | 163.9 | 47.3 | 0 | 0 | 0 | 0 | 114 | D1578 | D1578-T1580 VanDerWaalsContact C-N 3.27Å; D1578-T1580 PolarHBondContact O-N 3.05Å |
| 1581 | S | 33.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -107.6 | 4.3 | -179.3 | 54 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1582 | E | 30.5 | Very low | 30.6 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -113.4 | 16.5 | -178.9 | -72.4 | -167.8 | 169.1 | 0 | 0 | 116.2 | ||
| 1583 | T | 33 | Very low | 31 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -116.1 | 6.6 | 173.1 | -24.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1584 | Y | 27.1 | Very low | 31.5 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 69% | 0.694 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -117.1 | 125.7 | 168.3 | -80.8 | -89.4 | 0 | 0 | 0 | 110.8 | ||
| 1585 | A | 30.4 | Very low | 32.1 | Very low | 36 Ų | 36 | 140.9 Ų | 140.9 | 30% | 0.298 | 71% | 0.714 | S | S | . | * | trans | -66.1 | 132.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1587 | A1585-V1587 HydrophobicContact CB-CG2 4.29Å; A1585-V1587 PolarHBondContact O-N 3.22Å | ||
| 1586 | P | 36.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -79.9 | 27.7 | -177.8 | 31.6 | -33.9 | 0 | 0 | 0 | 114.9 | F1588 | P1586-F1588 VanDerWaalsContact C-N 3.3Å; P1586-F1588 PolarHBondContact O-N 2.77Å |
| 1587 | V | 33.3 | Very low | 33 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 52% | 0.521 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -72.4 | -17.8 | -172.9 | 178.8 | 0 | 0 | 0 | 0 | 113.6 | A1585 K1589 L1766 | A1585-V1587 HydrophobicContact CB-CG2 4.29Å; A1585-V1587 PolarHBondContact O-N 3.22Å; V1587-K1589 PolarHBondContact O-N 3.3Å; V1587-L1766 HydrophobicContact CG2-CD2 3.63Å |
| 1588 | F | 32.2 | Very low | 33.3 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -84.3 | -0.4 | -178.7 | -79.5 | -77 | 0 | 0 | 0 | 115.6 | P1586 | P1586-F1588 VanDerWaalsContact C-N 3.3Å; P1586-F1588 PolarHBondContact O-N 2.77Å |
| 1589 | K | 39.6 | Very low | 33.5 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -90.2 | -10.1 | -178.3 | -112.2 | 176.7 | -177 | 166.8 | 0 | 115.9 | V1587 | V1587-K1589 PolarHBondContact O-N 3.3Š|
| 1590 | E | 31.5 | Very low | 33.6 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -116.4 | 2.3 | -179.9 | -70.7 | -174.8 | 171.7 | 0 | 0 | 114.2 | D1592 | E1590-D1592 PolarHBondContact O-N 2.91Š|
| 1591 | F | 30.2 | Very low | 33.5 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -94.3 | 93.2 | 174.8 | -134.2 | -98.3 | 0 | 0 | 0 | 110.4 | F1593 | F1591-F1593 PolarHBondContact O-N 3.14Š| ||
| 1592 | D | 34.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | trans | -83.8 | 102.4 | 177.7 | -170.1 | -6 | 0 | 0 | 0 | 110.1 | E1590 L1594 | E1590-D1592 PolarHBondContact O-N 2.91Å; D1592-L1594 PolarHBondContact O-N 3.45Å; D1592-L1594 PolarHBondContact OD1-N 3.45Å | ||
| 1593 | F | 37.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 137 Ų | 137 | 59% | 0.592 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -10 | -177.9 | -84.1 | -97.8 | 0 | 0 | 0 | 114.8 | F1591 E1595 G1596 | F1591-F1593 PolarHBondContact O-N 3.14Å; F1593-E1595 VanDerWaalsContact C-N 3.33Å; F1593-E1595 PolarHBondContact O-N 2.96Å; F1593-G1596 PolarHBondContact O-N 3.34Å; F1593-G1596 VanDerWaalsContact O-N 3.12Å |
| 1594 | L | 36.5 | Very low | 32.7 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 53% | 0.529 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -77.5 | -7.4 | -171.9 | -70.8 | 173.7 | 0 | 0 | 0 | 115.8 | D1592 G1596 | D1592-L1594 PolarHBondContact O-N 3.45Å; D1592-L1594 PolarHBondContact OD1-N 3.45Å; L1594-G1596 VanDerWaalsContact C-N 3.31Å |
| 1595 | E | 38 | Very low | 32.7 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -77.1 | -18.5 | 165.6 | -79.2 | -172.1 | 159.4 | 0 | 0 | 112.6 | F1593 | F1593-E1595 VanDerWaalsContact C-N 3.33Å; F1593-E1595 PolarHBondContact O-N 2.96Å |
| 1596 | G | 38.3 | Very low | 32.5 | Very low | 60 Ų | 60 | 139.1 Ų | 139.1 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -80.1 | -26.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F1593 L1594 | F1593-G1596 PolarHBondContact O-N 3.34Å; F1593-G1596 VanDerWaalsContact O-N 3.12Å; L1594-G1596 VanDerWaalsContact C-N 3.31Å |
| 1597 | E | 35.1 | Very low | 32.1 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 64% | 0.64 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -92.2 | -20.3 | -172.8 | -80.2 | -163.8 | 151.7 | 0 | 0 | 114.7 | D1599 S1600 | E1597-D1599 VanDerWaalsContact C-N 3.34Å; E1597-D1599 PolarHBondContact O-N 3.32Å; E1597-S1600 PolarHBondContact O-OG 2.96Å |
| 1598 | R | 33.6 | Very low | 31.8 | Very low | 224 Ų | 224 | 141.3 Ų | 141.3 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -15.7 | -177.3 | -80.4 | -168 | 174.3 | 168.9 | 2.6 | 115.3 | ||
| 1599 | D | 33.6 | Very low | 31.6 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 0.2 | 178.4 | -69 | -14 | 0 | 0 | 0 | 113.5 | E1597 L1601 | E1597-D1599 VanDerWaalsContact C-N 3.34Å; E1597-D1599 PolarHBondContact O-N 3.32Å; D1599-L1601 PolarHBondContact O-N 3.23Å |
| 1600 | S | 29.7 | Very low | 31.3 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 1.6 | 179.9 | 66.7 | 0 | 0 | 0 | 0 | 115.2 | E1597 | E1597-S1600 PolarHBondContact O-OG 2.96Š|
| 1601 | L | 28.5 | Very low | 31.1 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 9.3 | -175.5 | -96.7 | 136.9 | 0 | 0 | 0 | 116 | D1599 | D1599-L1601 PolarHBondContact O-N 3.23Š|
| 1602 | S | 26.1 | Very low | 31.3 | Very low | 82 Ų | 82 | 140.8 Ų | 140.8 | 57% | 0.573 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -158.1 | 103.5 | 165.5 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1603 | E | 26.6 | Very low | 31.2 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | 174 | 122.9 | 115.2 | -92.3 | 167.9 | -175.5 | 0 | 0 | 111.5 | |||||
| 1604 | S | 28.3 | Very low | 31 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -59.4 | 126.4 | 162.7 | 46.1 | 0 | 0 | 0 | 0 | 110.7 | E1606 | S1604-E1606 PolarHBondContact O-N 3.07Š| ||
| 1605 | S | 27.1 | Very low | 30.5 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 26.3 | 94.9 | 138.7 | 61.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1606 | E | 25.5 | Very low | 29.9 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | S | Bend | 163.3 | 117.7 | 114.3 | -87.3 | 171.4 | -175.9 | 0 | 0 | 109.1 | S1604 | S1604-E1606 PolarHBondContact O-N 3.07Š| |
| 1607 | S | 28.6 | Very low | 29.2 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 57.6 | 93.4 | 167.2 | 65.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1608 | C | 27.1 | Very low | 28.7 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -163.6 | 52.9 | 146.1 | -97.6 | 0 | 0 | 0 | 0 | 112.2 | N1610 | C1608-N1610 PolarHBondContact O-N 3.48Š| ||
| 1609 | F | 26.4 | Very low | 28.3 | Very low | 213 Ų | 213 | 147.7 Ų | 147.7 | 93% | 0.934 | 78% | 0.783 | S | S | * | * | trans | -86.6 | 85.8 | 158.6 | -113.1 | -88.1 | 0 | 0 | 0 | 107.7 | ||||
| 1610 | N | 34.1 | Very low | 27.9 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | trans | -151.6 | 32 | 172.3 | -103.5 | -15.6 | 0 | 0 | 0 | 113.5 | C1608 L1612 | C1608-N1610 PolarHBondContact O-N 3.48Å; N1610-L1612 VanDerWaalsContact C-N 3.3Å; N1610-L1612 PolarHBondContact O-N 3.42Å | ||
| 1611 | W | 28.2 | Very low | 27.6 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -9.6 | 176.9 | -101.9 | 67.8 | 0 | 0 | 0 | 114.9 | T1614 | W1611-T1614 PolarHBondContact O-OG1 3.28Š|
| 1612 | L | 33.2 | Very low | 27.5 | Very low | 152 Ų | 152 | 151 Ų | 151 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 5.7 | -177.9 | -78 | 167.8 | 0 | 0 | 0 | 115.3 | N1610 | N1610-L1612 VanDerWaalsContact C-N 3.3Å; N1610-L1612 PolarHBondContact O-N 3.42Å |
| 1613 | T | 33 | Very low | 27.3 | Very low | 101 Ų | 101 | 155 Ų | 155 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -99.3 | 0.4 | 171.8 | 41.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1614 | T | 33 | Very low | 27.5 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -90.7 | -0.5 | 174.6 | 43.2 | 0 | 0 | 0 | 0 | 114.9 | W1611 R1616 | W1611-T1614 PolarHBondContact O-OG1 3.28Å; T1614-R1616 PolarHBondContact O-N 3.44Å | ||
| 1615 | L | 25.7 | Very low | 28 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -81.3 | 62.6 | 164.3 | -73 | 167.8 | 0 | 0 | 0 | 110.4 | ||||
| 1616 | R | 26.4 | Very low | 28 | Very low | 228 Ų | 228 | 153.8 Ų | 153.8 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -94.8 | 134 | 162.6 | -95.7 | -174.2 | 179.4 | 178.1 | 1.2 | 109.6 | T1614 Q1618 | T1614-R1616 PolarHBondContact O-N 3.44Å; R1616-Q1618 PolarHBondContact O-N 2.83Å | ||
| 1617 | S | 24.4 | Very low | 27.9 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -32.6 | 119.5 | -173.4 | -54.8 | 0 | 0 | 0 | 0 | 115.4 | Q1619 | S1617-Q1619 PolarHBondContact O-N 3.14Š| ||
| 1618 | Q | 24.5 | Very low | 28.6 | Very low | 195 Ų | 195 | 150.6 Ų | 150.6 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -54.9 | 101.8 | 162.5 | -76.9 | 174.5 | -33.1 | 0 | 0 | 109.1 | R1616 | R1616-Q1618 PolarHBondContact O-N 2.83Š| ||
| 1619 | Q | 24.6 | Very low | 28.5 | Very low | 194 Ų | 194 | 150.3 Ų | 150.3 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -71.7 | 124.4 | 160 | -77.5 | -174.3 | -67.2 | 0 | 0 | 107.9 | S1617 | S1617-Q1619 PolarHBondContact O-N 3.14Š| ||
| 1620 | V | 24 | Very low | 28.5 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | trans | -77.8 | 145.2 | 174.8 | 166.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1621 | E | 24.8 | Very low | 28 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | 72.4 | 111.3 | 161.6 | -78.8 | 162.1 | -165.5 | 0 | 0 | 118.7 | ||||
| 1622 | D | 25.3 | Very low | 27.8 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | -160.1 | 122.3 | 101.5 | -157.5 | 10.5 | 0 | 0 | 0 | 110.7 | |||||
| 1623 | D | 22.9 | Very low | 27.4 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 120.5 | 173.5 | -100.9 | -36.7 | 0 | 0 | 0 | 109.1 | ||||
| 1624 | G | 30.1 | Very low | 27.9 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -142.4 | 115.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1625 | P | 40.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 152.1 | -163 | 35.6 | -34.6 | 0 | 0 | 0 | 112.5 | ||||
| 1626 | E | 26.4 | Very low | 27.3 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | 169.9 | 114.6 | 124.8 | -91 | 174.8 | -177.1 | 0 | 0 | 111.7 | |||||
| 1627 | S | 22.7 | Very low | 27.2 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -47.3 | -174 | 155 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1628 | P | 43.5 | Very low | 27 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | -135.3 | 160.1 | -55.3 | 37.6 | -22 | 0 | 0 | 0 | 111.8 | |||||
| 1629 | S | 26 | Very low | 26.9 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -179.9 | 109.8 | 149.3 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1630 | G | 25.8 | Very low | 26.7 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | 85.1 | 132.6 | 97.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1631 | D | 23.1 | Very low | 26.6 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | cis | 171.2 | 135.3 | 7.2 | -139.2 | -8.1 | 0 | 0 | 0 | 102.2 | ||||
| 1632 | N | 23.8 | Very low | 26.5 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | 65.8 | 102.9 | 149.9 | -52.3 | -40.7 | 0 | 0 | 0 | 120.8 | ||||
| 1633 | A | 25.2 | Very low | 26.3 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | 1.9 | 175.6 | 120.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1634 | P | 43.2 | Very low | 26.6 | Very low | 108 Ų | 108 | 123 Ų | 123 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -136.3 | -160.7 | -15.8 | 23.2 | 4 | 0 | 0 | 0 | 112.4 | ||||
| 1635 | E | 25 | Very low | 26.2 | Very low | 170 Ų | 170 | 124 Ų | 124 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | 99.2 | 93.6 | 155.5 | -57.2 | -175.4 | 171.5 | 0 | 0 | 115.6 | ||||
| 1636 | N | 22.1 | Very low | 25.4 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | 53.8 | 118.6 | 84.3 | -72.6 | -14.6 | 0 | 0 | 0 | 114.1 | |||||
| 1637 | V | 23.2 | Very low | 25.2 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | 154.6 | 106 | 121.1 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1638 | E | 19.8 | Very low | 25.3 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | 54.1 | 147.8 | 129.6 | -51.8 | 179.4 | 132.2 | 0 | 0 | 124.7 | |||||
| 1639 | Y | 22.7 | Very low | 24.4 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 96.2 | 87.1 | 151.6 | -68.5 | -72.4 | 0 | 0 | 0 | 119.6 | ||||
| 1640 | S | 20.4 | Very low | 24.4 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 43.8 | 119.9 | 115.3 | 62.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1641 | A | 22.6 | Very low | 24.4 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | 158.6 | 133.8 | 107.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1642 | G | 22.9 | Very low | 24.7 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 91.7 | 93.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1643 | S | 21.6 | Very low | 24.7 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | 33.2 | 125.3 | 129.2 | 61.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 1644 | H | 28.1 | Very low | 24.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | -171.7 | 108.1 | 121 | -92.6 | -59 | 0 | 0 | 0 | 112 | |||||
| 1645 | S | 22.1 | Very low | 23.9 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | trans | 11.5 | 136.4 | 136.7 | 54.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1646 | E | 22.6 | Very low | 23.8 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 98.4 | 116.4 | 131.6 | -81 | 174.2 | -163.5 | 0 | 0 | 121.3 | ||||
| 1647 | S | 22.8 | Very low | 24 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | 107.1 | 122.2 | 121.2 | 70.8 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1648 | D | 25.1 | Very low | 23.9 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 85.7 | 86.8 | 138.3 | -59.8 | -9.6 | 0 | 0 | 0 | 119.5 | ||||
| 1649 | L | 24.1 | Very low | 24.1 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 133.7 | 148.3 | -70.3 | 166.7 | 0 | 0 | 0 | 109.4 | ||||
| 1650 | S | 26.5 | Very low | 24.2 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -124.5 | 128.6 | 167.1 | 30.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1651 | D | 26.2 | Very low | 24.2 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -51.4 | 155.2 | 167.4 | -57.1 | -59.6 | 0 | 0 | 0 | 112.3 | ||||
| 1652 | E | 28.9 | Very low | 24.3 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -163 | 139.7 | 142.7 | -98.6 | -68 | 153.6 | 0 | 0 | 109 | ||||
| 1653 | E | 24 | Very low | 25.4 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -86.3 | 169.2 | -160.1 | -69.8 | -165.9 | 141.6 | 0 | 0 | 114.9 | ||||
| 1654 | A | 25.5 | Very low | 25.6 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -35.3 | 143.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1655 | S | 26.6 | Very low | 25.3 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -141.6 | 132.8 | 149.5 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1656 | S | 22 | Very low | 25.4 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -54.3 | 149.8 | 172.6 | 48.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1657 | D | 26 | Very low | 25.8 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | 175.3 | 126.6 | 108.1 | -118.1 | -36.6 | 0 | 0 | 0 | 115.5 | |||||
| 1658 | S | 21.2 | Very low | 25.8 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | trans | 30.9 | 138.8 | 138.2 | 60.5 | 0 | 0 | 0 | 0 | 126 | ||||
| 1659 | V | 24.5 | Very low | 25.7 | Very low | 130 Ų | 130 | 138 Ų | 138 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | 138.8 | 109.7 | 121.8 | 178.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1660 | A | 24 | Very low | 25.8 | Very low | 99 Ų | 99 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 66.6 | 148.6 | 134.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1661 | E | 21.3 | Very low | 25.7 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -91.9 | 164.6 | -161.2 | -58.5 | 174.6 | 134.6 | 0 | 0 | 116.5 | ||||
| 1662 | E | 25.4 | Very low | 25.8 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 77.2 | 160.1 | 140.8 | -105.2 | -159.7 | -178.7 | 0 | 0 | 120.2 | ||||
| 1663 | P | 44.5 | Very low | 25.4 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 63% | 0.63 | 80% | 0.802 | S | S | * | * | -130 | 170.9 | -76.6 | 33.8 | -14.1 | 0 | 0 | 0 | 112.9 | |||||
| 1664 | T | 26.9 | Very low | 25.5 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -166.6 | 111.2 | 151.5 | -5.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1665 | E | 22 | Very low | 25.4 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | 30.9 | 139.3 | 136.2 | -60.5 | -176.6 | 161.4 | 0 | 0 | 126.1 | ||||
| 1666 | L | 23.4 | Very low | 25.3 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -44.4 | 156.6 | 165.9 | -71.4 | 123.5 | 0 | 0 | 0 | 118.1 | ||||
| 1667 | P | 30.5 | Very low | 25.5 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -128.2 | 142.4 | 141.8 | 32.2 | -16.4 | 0 | 0 | 0 | 114.2 | ||||
| 1668 | T | 23.2 | Very low | 25.5 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -94.8 | 164.4 | -172.2 | 46.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1669 | A | 23.5 | Very low | 25.5 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 95.3 | 133 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1670 | G | 27 | Very low | 25.6 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 169.6 | 67.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1671 | D | 23.4 | Very low | 25.6 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -24.9 | 146.5 | 170.9 | -54.4 | -43.2 | 0 | 0 | 0 | 120.3 | ||||
| 1672 | L | 27.6 | Very low | 26.8 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | -166.3 | 106.4 | 120.1 | -125.4 | 89.2 | 0 | 0 | 0 | 112.5 | |||||
| 1673 | E | 22 | Very low | 26.7 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -73.5 | 147.3 | 162.6 | -61.4 | 175.9 | 142.9 | 0 | 0 | 110.9 | ||||
| 1674 | H | 25.1 | Very low | 25.8 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 164.2 | 135.5 | 119.3 | -97.2 | -76.8 | 0 | 0 | 0 | 114.7 | |||||
| 1675 | M | 24.2 | Very low | 25.6 | Very low | 159 Ų | 159 | 140 Ų | 140 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 97.6 | 83.7 | 140.4 | -126.1 | 172.7 | -65.3 | 0 | 0 | 119.9 | ||||
| 1676 | F | 23.6 | Very low | 25.5 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -51.4 | 157.3 | 137 | -80.2 | -94.2 | 0 | 0 | 0 | 113 | ||||
| 1677 | L | 26.2 | Very low | 25.4 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | 164.1 | 135.4 | 143.5 | -83.2 | -177.2 | 0 | 0 | 0 | 106 | ||||
| 1678 | S | 26.8 | Very low | 24.9 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | -166.6 | 129 | 35.4 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1679 | D | 21.7 | Very low | 24.8 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -6.9 | 146.5 | 143.2 | -133.6 | -14.4 | 0 | 0 | 0 | 121.1 | ||||
| 1680 | G | 25.7 | Very low | 24.8 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 179.4 | 84.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1681 | S | 23.8 | Very low | 24.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -81.8 | -162.3 | -175.4 | -159.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1682 | P | 47.4 | Very low | 24.5 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | -119.7 | 176.2 | -111.1 | 39.5 | -19.8 | 0 | 0 | 0 | 114.3 | |||||
| 1683 | N | 23.1 | Very low | 24.2 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | 151.6 | 145.3 | 130 | -94 | -19 | 0 | 0 | 0 | 116.2 | |||||
| 1684 | D | 24.4 | Very low | 24.2 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | 92.5 | 105.9 | 141.3 | -101.3 | 6.7 | 0 | 0 | 0 | 121.2 | ||||
| 1685 | K | 22.9 | Very low | 24.2 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | 65.7 | 116.4 | 124.3 | -69.9 | 173.2 | -169.9 | 130.2 | 0 | 119.7 | |||||
| 1686 | G | 20.6 | Very low | 24.3 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | 99.4 | 98.7 | 107.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1687 | A | 20.3 | Very low | 24.4 | Very low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | 65.8 | 127.5 | 130.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1688 | E | 20.4 | Very low | 24.4 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 87.8 | 111.3 | 143.3 | -74.6 | -177.4 | -162.6 | 0 | 0 | 120.5 | ||||
| 1689 | N | 21 | Very low | 24.5 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 97.5 | 130.7 | 121.3 | -75.1 | -21.8 | 0 | 0 | 0 | 120.3 | |||||
| 1690 | I | 22.8 | Very low | 24.8 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | 97.3 | 92.4 | 154.8 | -57 | 147.2 | 0 | 0 | 0 | 116.8 | ||||
| 1691 | L | 21.1 | Very low | 24.9 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | 28 | 108.7 | 115.8 | -143.4 | 88.4 | 0 | 0 | 0 | 116.2 | |||||
| 1692 | H | 23.5 | Very low | 25.1 | Very low | 169 Ų | 169 | 133 Ų | 133 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | trans | -172.6 | 117 | 131.2 | -98.3 | -65.6 | 0 | 0 | 0 | 111.1 | ||||
| 1693 | T | 21.2 | Very low | 24.3 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | -58.6 | 137.4 | 167.6 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1694 | P | 23.2 | Very low | 24.7 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -116.9 | 102.4 | 152.3 | 29.7 | -14.1 | 0 | 0 | 0 | 111.3 | ||||
| 1695 | T | 24.8 | Very low | 24.9 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | 30.2 | 98 | 137.1 | 50.4 | 0 | 0 | 0 | 0 | 119 | Y1697 | T1695-Y1697 HydrophobicContact CG2-CE2 4.29Š| ||
| 1696 | Q | 26.7 | Very low | 25.3 | Very low | 202 Ų | 202 | 122.2 Ų | 122.2 | 94% | 0.944 | 70% | 0.698 | S | S | * | * | trans | -78.2 | 109.9 | 157.7 | -72.7 | 171 | -14.7 | 0 | 0 | 110 | ||||
| 1697 | Y | 24.6 | Very low | 25.9 | Very low | 216 Ų | 216 | 127.6 Ų | 127.6 | 85% | 0.847 | 70% | 0.696 | S | S | * | * | trans | -103.4 | 108.7 | 167.5 | -84.8 | -88.5 | 0 | 0 | 0 | 108.5 | T1695 | T1695-Y1697 HydrophobicContact CG2-CE2 4.29Š| ||
| 1698 | G | 26 | Very low | 26.4 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | trans | 174.9 | 46.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1699 | S | 28.8 | Very low | 27 | Very low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -157.9 | -9.5 | 168.9 | -174.4 | 0 | 0 | 0 | 0 | 114.7 | L1701 | S1699-L1701 VanDerWaalsContact C-N 3.3Å; S1699-L1701 PolarHBondContact O-N 3.24Å |
| 1700 | V | 28.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72 | -16.8 | -176.3 | -178.5 | 0 | 0 | 0 | 0 | 113.9 | A1704 | V1700-A1704 PolarHBondContact O-N 3.48Å |
| 1701 | L | 27 | Very low | 27.9 | Very low | 143 Ų | 143 | 121 Ų | 121 | 75% | 0.749 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.1 | -29.8 | -173.9 | -150.8 | 81.9 | 0 | 0 | 0 | 114.2 | S1699 L1705 | S1699-L1701 VanDerWaalsContact C-N 3.3Å; S1699-L1701 PolarHBondContact O-N 3.24Å; L1701-L1705 PolarHBondContact O-N 2.89Å |
| 1702 | L | 28.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 62% | 0.623 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -79.2 | -33.5 | -178.7 | -156.1 | 77.7 | 0 | 0 | 0 | 112.2 | A1704 L1705 N1706 | L1702-A1704 VanDerWaalsContact C-N 3.35Å; L1702-L1705 PolarHBondContact O-N 2.68Å; L1702-N1706 PolarHBondContact O-N 2.77Å |
| 1703 | I | 32.1 | Very low | 28.7 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 55% | 0.554 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.5 | -35.7 | 174.4 | -60.5 | 174.5 | 0 | 0 | 0 | 110.3 | R1707 | I1703-R1707 WeakPolarHBondContact O-CB 3.29Å; I1703-R1707 PolarHBondContact O-N 3.24Å; I1703-R1707 VanDerWaalsContact O-N 3.15Å |
| 1704 | A | 29.8 | Very low | 29 | Very low | 48 Ų | 48 | 114.8 Ų | 114.8 | 40% | 0.397 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.3 | -35.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1700 L1702 M1708 | V1700-A1704 PolarHBondContact O-N 3.48Å; L1702-A1704 VanDerWaalsContact C-N 3.35Å; A1704-M1708 PolarHBondContact O-N 2.96Å |
| 1705 | L | 29.9 | Very low | 29.2 | Very low | 62 Ų | 62 | 112 Ų | 112 | 33% | 0.325 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.9 | -43 | -177.4 | -123.6 | 108.3 | 0 | 0 | 0 | 113.2 | L1701 L1702 R1707 M1708 V1709 | L1701-L1705 PolarHBondContact O-N 2.89Å; L1702-L1705 PolarHBondContact O-N 2.68Å; L1705-R1707 VanDerWaalsContact C-N 3.33Å; L1705-M1708 PolarHBondContact O-N 3.29Å; L1705-M1708 VanDerWaalsContact O-N 3.15Å; L1705-V1709 PolarHBondContact O-N 2.89Å; L1705-V1709 VanDerWaalsContact O-N 3.11Å |
| 1706 | N | 31.4 | Very low | 29.5 | Very low | 89 Ų | 89 | 113.2 Ų | 113.2 | 48% | 0.476 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.7 | -30.7 | 175.5 | -98 | -20.1 | 0 | 0 | 0 | 111.8 | L1702 V1710 | L1702-N1706 PolarHBondContact O-N 2.77Å; N1706-V1710 WeakPolarHBondContact O-CG2 3.42Å; N1706-V1710 PolarHBondContact O-N 3.32Å |
| 1707 | R | 32 | Very low | 29.7 | Very low | 187 Ų | 187 | 109.2 Ų | 109.2 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.5 | -39.9 | 165.5 | -80 | -175.1 | 174.5 | -177.5 | -0.9 | 111.5 | I1703 L1705 V1710 Y1711 | I1703-R1707 WeakPolarHBondContact O-CB 3.29Å; I1703-R1707 PolarHBondContact O-N 3.24Å; I1703-R1707 VanDerWaalsContact O-N 3.15Å; L1705-R1707 VanDerWaalsContact C-N 3.33Å; R1707-V1710 CarbonylContact O-C 3.53Å; R1707-V1710 PolarHBondContact O-N 3.47Å; R1707-Y1711 WeakPolarHBondContact O-CA 3.27Å; R1707-Y1711 WeakPolarHBondContact O-CB 3.47Å; R1707-Y1711 PolarHBondContact O-N 2.93Å |
| 1708 | M | 31.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 100.9 Ų | 100.9 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.7 | -35.7 | 179.1 | -86.7 | -170.4 | 90.9 | 0 | 0 | 114.7 | A1704 L1705 Y1711 C1712 | A1704-M1708 PolarHBondContact O-N 2.96Å; L1705-M1708 PolarHBondContact O-N 3.29Å; L1705-M1708 VanDerWaalsContact O-N 3.15Å; M1708-Y1711 CarbonylContact O-C 3.5Å; M1708-Y1711 PolarHBondContact O-N 2.96Å; M1708-C1712 WeakPolarHBondContact O-CB 3.46Å; M1708-C1712 PolarHBondContact O-N 3.5Å; M1708-C1712 PolarHBondContact O-SG 3.47Å |
| 1709 | V | 32.2 | Very low | 29.7 | Very low | 45 Ų | 45 | 101.9 Ų | 101.9 | 27% | 0.273 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.7 | -39 | 176.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | L1705 L1713 | L1705-V1709 PolarHBondContact O-N 2.89Å; L1705-V1709 VanDerWaalsContact O-N 3.11Å; V1709-L1713 PolarHBondContact O-N 3.1Å |
| 1710 | V | 34.3 | Very low | 29.5 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.1 | -35.5 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | N1706 R1707 R1714 | N1706-V1710 WeakPolarHBondContact O-CG2 3.42Å; N1706-V1710 PolarHBondContact O-N 3.32Å; R1707-V1710 CarbonylContact O-C 3.53Å; R1707-V1710 PolarHBondContact O-N 3.47Å; V1710-R1714 WeakPolarHBondContact O-CA 3.42Å; V1710-R1714 WeakPolarHBondContact O-CB 3.36Å; V1710-R1714 PolarHBondContact O-N 2.9Å |
| 1711 | Y | 29.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 104.4 Ų | 104.4 | 66% | 0.659 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -75.2 | -26 | 177.6 | -142.8 | -86 | 0 | 0 | 0 | 112.5 | R1707 M1708 S1715 | R1707-Y1711 WeakPolarHBondContact O-CA 3.27Å; R1707-Y1711 WeakPolarHBondContact O-CB 3.47Å; R1707-Y1711 PolarHBondContact O-N 2.93Å; M1708-Y1711 CarbonylContact O-C 3.5Å; M1708-Y1711 PolarHBondContact O-N 2.96Å; Y1711-S1715 VanDerWaalsContact O-CA 3.32Å; Y1711-S1715 WeakPolarHBondContact O-CA 3.44Å; Y1711-S1715 WeakPolarHBondContact O-CB 3.44Å; Y1711-S1715 PolarHBondContact O-N 3Å |
| 1712 | C | 29.6 | Very low | 29.1 | Very low | 55 Ų | 55 | 106.3 Ų | 106.3 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.1 | -41.6 | 172.5 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | M1708 L1716 | M1708-C1712 WeakPolarHBondContact O-CB 3.46Å; M1708-C1712 PolarHBondContact O-N 3.5Å; M1708-C1712 PolarHBondContact O-SG 3.47Å; C1712-L1716 PolarHBondContact O-N 3.14Å; C1712-L1716 VanDerWaalsContact O-N 3.14Å |
| 1713 | L | 30.1 | Very low | 29 | Very low | 99 Ų | 99 | 105.2 Ų | 105.2 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72 | -35.8 | 174.9 | -74.5 | 165.6 | 0 | 0 | 0 | 112 | V1709 V1717 | V1709-L1713 PolarHBondContact O-N 3.1Å; L1713-V1717 WeakPolarHBondContact O-CG2 3.47Å; L1713-V1717 PolarHBondContact O-N 3.36Å |
| 1714 | R | 28.2 | Very low | 28.7 | Very low | 163 Ų | 163 | 104.2 Ų | 104.2 | 62% | 0.615 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -81.1 | -21.4 | 175.2 | -154.1 | 178.3 | -177.6 | 170.7 | 2.7 | 111.8 | V1710 V1717 S1718 | V1710-R1714 WeakPolarHBondContact O-CA 3.42Å; V1710-R1714 WeakPolarHBondContact O-CB 3.36Å; V1710-R1714 PolarHBondContact O-N 2.9Å; R1714-V1717 PolarHBondContact O-N 2.91Å; R1714-S1718 WeakPolarHBondContact CG-OG 3.47Å; R1714-S1718 WeakPolarHBondContact O-CA 3.42Å; R1714-S1718 WeakPolarHBondContact O-CB 3.42Å; R1714-S1718 PolarHBondContact O-N 2.95Å; R1714-S1718 PolarHBondContact O-OG 3.47Å |
| 1715 | S | 26.7 | Very low | 28.4 | Very low | 55 Ų | 55 | 108.7 Ų | 108.7 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.4 | -31.2 | 170.6 | -174.9 | 0 | 0 | 0 | 0 | 111 | Y1711 V1717 S1719 | Y1711-S1715 VanDerWaalsContact O-CA 3.32Å; Y1711-S1715 WeakPolarHBondContact O-CA 3.44Å; Y1711-S1715 WeakPolarHBondContact O-CB 3.44Å; Y1711-S1715 PolarHBondContact O-N 3Å; S1715-V1717 VanDerWaalsContact C-N 3.33Å; S1715-S1719 PolarHBondContact O-OG 3.22Å |
| 1716 | L | 31.2 | Very low | 28.1 | Very low | 137 Ų | 137 | 108.1 Ų | 108.1 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.5 | -24.3 | 173 | -150.4 | 80.6 | 0 | 0 | 0 | 112.7 | C1712 | C1712-L1716 PolarHBondContact O-N 3.14Å; C1712-L1716 VanDerWaalsContact O-N 3.14Å |
| 1717 | V | 30.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 109.6 Ų | 109.6 | 72% | 0.721 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -110.5 | -19.7 | -178.7 | 178.2 | 0 | 0 | 0 | 0 | 114.1 | L1713 R1714 S1715 | L1713-V1717 WeakPolarHBondContact O-CG2 3.47Å; L1713-V1717 PolarHBondContact O-N 3.36Å; R1714-V1717 PolarHBondContact O-N 2.91Å; S1715-V1717 VanDerWaalsContact C-N 3.33Å |
| 1718 | S | 25.2 | Very low | 27.4 | Very low | 40 Ų | 40 | 102.8 Ų | 102.8 | 28% | 0.28 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -121.9 | 21.9 | -175.1 | 87.9 | 0 | 0 | 0 | 0 | 115.1 | R1714 L1720 S1721 | R1714-S1718 WeakPolarHBondContact CG-OG 3.47Å; R1714-S1718 WeakPolarHBondContact O-CA 3.42Å; R1714-S1718 WeakPolarHBondContact O-CB 3.42Å; R1714-S1718 PolarHBondContact O-N 2.95Å; R1714-S1718 PolarHBondContact O-OG 3.47Å; S1718-L1720 PolarHBondContact O-N 2.85Å; S1718-S1721 PolarHBondContact O-N 2.94Å |
| 1719 | S | 26.7 | Very low | 27.1 | Very low | 102 Ų | 102 | 102.8 Ų | 102.8 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 24.3 | 150.7 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | S1715 | S1715-S1719 PolarHBondContact O-OG 3.22Š|
| 1720 | L | 24.6 | Very low | 26.6 | Very low | 160 Ų | 160 | 104.6 Ų | 104.6 | 84% | 0.838 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 2.6 | -178.5 | -86.2 | 172.5 | 0 | 0 | 0 | 115.5 | S1718 | S1718-L1720 PolarHBondContact O-N 2.85Š|
| 1721 | S | 22.6 | Very low | 26.1 | Very low | 103 Ų | 103 | 109.7 Ų | 109.7 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | trans | -170.7 | 116.7 | 164.4 | -154 | 0 | 0 | 0 | 0 | 114.3 | S1718 | S1718-S1721 PolarHBondContact O-N 2.94Š| ||
| 1722 | E | 24.7 | Very low | 25.8 | Very low | 184 Ų | 184 | 107 Ų | 107 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | trans | -96.3 | 153 | -177.5 | -71.1 | 176.1 | 143.9 | 0 | 0 | 113.7 | ||||
| 1723 | A | 26 | Very low | 25.4 | Very low | 95 Ų | 95 | 109.6 Ų | 109.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | 63.3 | 112 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1724 | A | 25.4 | Very low | 25 | Very low | 88 Ų | 88 | 112.8 Ų | 112.8 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | cis | 66.1 | 125.6 | 28 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1725 | D | 23.7 | Very low | 24.9 | Very low | 142 Ų | 142 | 117.1 Ų | 117.1 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | 135.5 | 150.6 | 148.1 | -71.8 | -17 | 0 | 0 | 0 | 112.9 | ||||
| 1726 | A | 24.4 | Very low | 24.7 | Very low | 49 Ų | 49 | 126.1 Ų | 126.1 | 41% | 0.405 | 73% | 0.733 | S | S | . | * | cis | 179.9 | 167.3 | -27.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1727 | V | 24 | Very low | 24.7 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 79.2 | 114.6 | 152 | -174.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1728 | G | 23.1 | Very low | 24.5 | Very low | 43 Ų | 43 | 126.9 Ų | 126.9 | 44% | 0.443 | 75% | 0.746 | S | S | . | * | 132.2 | 130.1 | 88.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1729 | S | 25.4 | Very low | 24.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 73.9 | 153.1 | 144.4 | 70.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1730 | S | 23 | Very low | 25 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | cis | 168.4 | 140.5 | -29.5 | -176.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1731 | E | 23.5 | Very low | 25.7 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | 152.9 | 107.8 | 154.2 | -88.8 | 175.4 | -177.3 | 0 | 0 | 108.6 | ||||
| 1732 | S | 22.7 | Very low | 26.9 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | 80 | 104.8 | 67.1 | 75 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1733 | A | 22.2 | Very low | 28.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | trans | -166.8 | 136.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1734 | D | 22 | Very low | 29.6 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | trans | -64.8 | 148.7 | -173.3 | -86.5 | -44.6 | 0 | 0 | 0 | 118 | ||||
| 1735 | R | 24.6 | Very low | 31 | Very low | 255 Ų | 255 | 123.2 Ų | 123.2 | 96% | 0.962 | 67% | 0.671 | S | S | * | * | trans | -141.5 | 147.6 | 161.9 | -93.7 | -173.8 | 176.2 | 178.3 | -0.1 | 112.3 | ||||
| 1736 | R | 23.4 | Very low | 32.8 | Very low | 244 Ų | 244 | 116.5 Ų | 116.5 | 92% | 0.921 | 64% | 0.636 | S | S | * | * | trans | -104.1 | 155.3 | -179.1 | -76 | -179.7 | -179.5 | 170.3 | 0.2 | 112.8 | ||||
| 1737 | P | 30.5 | Very low | 34.1 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -98 | 153.5 | -170.6 | 37.5 | -31.9 | 0 | 0 | 0 | 115.2 | ||
| 1738 | T | 26.1 | Very low | 35.5 | Very low | 147 Ų | 147 | 119.1 Ų | 119.1 | 90% | 0.902 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 138.4 | -174.3 | 31.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1739 | R | 28.4 | Very low | 37 | Very low | 254 Ų | 254 | 122.1 Ų | 122.1 | 96% | 0.958 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 141.8 | 175.7 | -77.5 | -176.6 | 172.4 | -169.3 | -4.1 | 111.4 | ||
| 1740 | L | 35.4 | Very low | 38.3 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 78% | 0.775 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -80 | 149 | 173.3 | -81 | 154.7 | 0 | 0 | 0 | 112.3 | ||
| 1741 | S | 38.5 | Very low | 39.9 | Very low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | trans | -108.3 | 145.7 | -167.7 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | E1999 | S1741-E1999 WeakPolarHBondContact CB-OE2 3.44Å; S1741-E1999 PolarHBondContact OG-OE2 2.77Å | ||
| 1742 | F | 48.6 | Very low | 41.7 | Very low | 69 Ų | 69 | 112.3 Ų | 112.3 | 30% | 0.303 | 60% | 0.595 | S | S | . | * | trans | -98.4 | 130.6 | -172.4 | -109.1 | -98.5 | 0 | 0 | 0 | 111.7 | S1774 L1777 E1999 | F1742-S1774 WeakPolarHBondContact CE2-OG 3.27Å; F1742-S1774 WeakPolarHBondContact CZ-OG 3.48Å; F1742-L1777 HydrophobicContact CE1-CD2 4.02Å; F1742-E1999 CarbonylContact O-C 3.5Å; F1742-E1999 WeakPolarHBondContact O-CB 3.5Å | ||
| 1743 | N | 51.5 | Low | 43.7 | Very low | 88 Ų | 88 | 112 Ų | 112 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | trans | -114.5 | 121.4 | 171.2 | -86.6 | -47.1 | 0 | 0 | 0 | 110.7 | E1999 | N1743-E1999 PolarHBondContact ND2-OE1 3.39Å; N1743-E1999 VanDerWaalsContact OD1-CA 3.29Å; N1743-E1999 WeakPolarHBondContact OD1-CA 3.42Å; N1743-E1999 WeakPolarHBondContact OD1-CB 3.34Å; N1743-E1999 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 1744 | L | 55.5 | Low | 46 | Very low | 17 Ų | 17 | 107.1 Ų | 107.1 | 9% | 0.089 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 118.8 | 164.9 | -86.9 | 95.1 | 0 | 0 | 0 | 109.8 | L1777 E2010 L2014 | L1744-L1777 HydrophobicContact CD1-CD2 3.99Å; L1744-L1777 HydrophobicContact CD2-CD2 4.22Å; L1744-L1777 HydrophobicContact CG-CD2 4.19Å; L1744-E2010 HydrophobicContact CD2-CB 4.12Å; L1744-L2014 HydrophobicContact CD1-CD1 3.22Å; L1744-L2014 HydrophobicContact CD2-CD1 3.53Å; L1744-L2014 HydrophobicContact CG-CD1 3.98Å |
| 1745 | E | 54.8 | Low | 48.4 | Very low | 34 Ų | 34 | 101.1 Ų | 101.1 | 16% | 0.159 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 141.2 | 177.5 | -60.3 | -162.4 | 167.1 | 0 | 0 | 112.2 | T1751 | E1745-T1751 VanDerWaalsContact CD-OG1 3.31Å; E1745-T1751 PolarHBondContact OE1-OG1 3.38Å; E1745-T1751 PolarHBondContact OE2-N 2.85Å; E1745-T1751 PolarHBondContact OE2-OG1 3.07Å |
| 1746 | C | 60.6 | Low | 50.7 | Low | 1 Ų | 1 | 94.3 Ų | 94.3 | 1% | 0.007 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 145.7 | 175 | 164.9 | 0 | 0 | 0 | 0 | 110.7 | H1748 H1749 S1750 C2003 C2004 Q2006 V2007 | C1746-H1748 PolarHBondContact O-N 3.41Å; C1746-H1748 VanDerWaalsContact O-N 3.08Å; C1746-H1748 PolarHBondContact SG-N 3.41Å; C1746-H1749 CarbonylContact O-C 3.53Å; C1746-H1749 PolarHBondContact O-N 3.39Å; C1746-S1750 PolarHBondContact O-N 3.03Å; C1746-C2003 WeakPolarHBondContact CB-SG 3.46Å; C1746-C2004 PolarHBondContact SG-SG 3.16Å; C1746-Q2006 VanDerWaalsContact SG-CB 3.56Å; C1746-Q2006 PolarHBondContact SG-OE1 2.92Å; C1746-Q2006 VanDerWaalsContact SG-OE1 3.34Å; C1746-V2007 HydrophobicContact CB-CG1 3.63Å |
| 1747 | P | 52.1 | Low | 52.9 | Low | 86 Ų | 86 | 84.8 Ų | 84.8 | 56% | 0.558 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -28.5 | 172.8 | -25.1 | 32.8 | 0 | 0 | 0 | 115.7 | ||
| 1748 | H | 52.5 | Low | 55.3 | Low | 139 Ų | 139 | 78.9 Ų | 78.9 | 64% | 0.644 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -22.6 | 176.8 | -84.7 | -114.7 | 0 | 0 | 0 | 114.3 | C1746 Q2006 | C1746-H1748 PolarHBondContact O-N 3.41Å; C1746-H1748 VanDerWaalsContact O-N 3.08Å; C1746-H1748 PolarHBondContact SG-N 3.41Å; H1748-Q2006 PolarHBondContact CD2-NE2 2.98Å; H1748-Q2006 PolarHBondContact CD2-OE1 3.43Å; H1748-Q2006 PolarHBondContact NE2-NE2 3.27Å |
| 1749 | H | 56.3 | Low | 57.8 | Low | 106 Ų | 106 | 75.2 Ų | 75.2 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -125.1 | 22.5 | -176 | -57.5 | 110.7 | 0 | 0 | 0 | 111.4 | C1746 T1751 C2004 | C1746-H1749 CarbonylContact O-C 3.53Å; C1746-H1749 PolarHBondContact O-N 3.39Å; H1749-T1751 PolarHBondContact O-N 2.88Å; H1749-C2004 VanDerWaalsContact CE1-CB 3.43Å; H1749-C2004 WeakPolarHBondContact CE1-CB 3.48Å; H1749-C2004 VanDerWaalsContact CE1-SG 3.56Å; H1749-C2004 PolarHBondContact ND1-SG 3.16Å; H1749-C2004 VanDerWaalsContact ND1-SG 3.38Å |
| 1750 | S | 52.8 | Low | 60 | Low | 56 Ų | 56 | 68.1 Ų | 68.1 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | trans | -61.2 | 123.9 | -178.8 | 61 | 0 | 0 | 0 | 0 | 108.3 | C1746 G1752 | C1746-S1750 PolarHBondContact O-N 3.03Å; S1750-G1752 PolarHBondContact O-N 3.13Å | ||
| 1751 | T | 56.4 | Low | 61.8 | Low | 81 Ų | 81 | 62 Ų | 62 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | trans | -79.2 | -10.2 | -178.1 | 66 | 0 | 0 | 0 | 0 | 111 | E1745 H1749 Q1753 | E1745-T1751 VanDerWaalsContact CD-OG1 3.31Å; E1745-T1751 PolarHBondContact OE1-OG1 3.38Å; E1745-T1751 PolarHBondContact OE2-N 2.85Å; E1745-T1751 PolarHBondContact OE2-OG1 3.07Å; H1749-T1751 PolarHBondContact O-N 2.88Å; T1751-Q1753 VanDerWaalsContact OG1-CB 3.23Å; T1751-Q1753 WeakPolarHBondContact OG1-CB 3.35Å; T1751-Q1753 VanDerWaalsContact OG1-CG 3.29Å; T1751-Q1753 WeakPolarHBondContact OG1-CG 3.3Å; T1751-Q1753 PolarHBondContact OG1-N 3.08Å; T1751-Q1753 VanDerWaalsContact OG1-N 3.13Å | ||
| 1752 | G | 60.2 | Low | 63.6 | Low | 38 Ų | 38 | 59.1 Ų | 59.1 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 77.9 | 1.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1750 I1754 | S1750-G1752 PolarHBondContact O-N 3.13Å; G1752-I1754 VanDerWaalsContact C-N 3.3Å; G1752-I1754 PolarHBondContact O-N 3.11Å |
| 1753 | Q | 65.4 | Low | 64.9 | Low | 106 Ų | 106 | 59.7 Ų | 59.7 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 7.7 | -176.4 | -61.2 | -177.9 | -13.3 | 0 | 0 | 113.8 | T1751 E1755 E1756 T1757 | T1751-Q1753 VanDerWaalsContact OG1-CB 3.23Å; T1751-Q1753 WeakPolarHBondContact OG1-CB 3.35Å; T1751-Q1753 VanDerWaalsContact OG1-CG 3.29Å; T1751-Q1753 WeakPolarHBondContact OG1-CG 3.3Å; T1751-Q1753 PolarHBondContact OG1-N 3.08Å; T1751-Q1753 VanDerWaalsContact OG1-N 3.13Å; Q1753-E1755 PolarHBondContact O-N 3.21Å; Q1753-E1756 PolarHBondContact O-N 3.47Å; Q1753-T1757 PolarHBondContact O-N 2.99Å; Q1753-T1757 PolarHBondContact O-OG1 2.65Å; Q1753-T1757 VanDerWaalsContact O-OG1 3.13Å |
| 1754 | I | 69.6 | Low | 65.8 | Low | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -32.1 | -179.2 | -154 | 155 | 0 | 0 | 0 | 112.9 | G1752 E1756 T1757 W1758 I1778 Q1781 L1782 E1785 | G1752-I1754 VanDerWaalsContact C-N 3.3Å; G1752-I1754 PolarHBondContact O-N 3.11Å; I1754-E1756 VanDerWaalsContact C-N 3.29Å; I1754-E1756 PolarHBondContact O-N 3.08Å; I1754-T1757 VanDerWaalsContact CA-OG1 3.28Å; I1754-T1757 WeakPolarHBondContact CA-OG1 3.43Å; I1754-T1757 PolarHBondContact O-OG1 3.33Å; I1754-T1757 VanDerWaalsContact O-OG1 3.05Å; I1754-W1758 WeakPolarHBondContact O-CB 3.34Å; I1754-W1758 PolarHBondContact O-N 3.27Å; I1754-I1778 HydrophobicContact CG1-CG2 4.2Å; I1754-Q1781 HydrophobicContact CD1-CB 3.26Å; I1754-Q1781 HydrophobicContact CD1-CG 4.33Å; I1754-Q1781 HydrophobicContact CG1-CB 4.48Å; I1754-L1782 HydrophobicContact CG2-CD1 3.76Å; I1754-E1785 WeakPolarHBondContact CG2-OE2 3.39Å |
| 1755 | E | 73 | Confident | 66.6 | Low | 39 Ų | 39 | 57.5 Ų | 57.5 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 174.4 | -61.4 | -179.9 | -172.9 | 0 | 0 | 110.1 | Q1753 N1759 L1782 K1789 F1862 R1865 | Q1753-E1755 PolarHBondContact O-N 3.21Å; E1755-N1759 PolarHBondContact O-N 2.87Å; E1755-N1759 VanDerWaalsContact O-N 3.13Å; E1755-N1759 PolarHBondContact O-ND2 3.38Å; E1755-L1782 HydrophobicContact CG-CD1 3.86Å; E1755-K1789 IonicContact OE1-NZ 2.85Å; E1755-K1789 PolarHBondContact OE1-NZ 2.94Å; E1755-K1789 VanDerWaalsContact OE1-NZ 3.09Å; E1755-F1862 HydrophobicContact CB-CZ 4.33Å; E1755-F1862 HydrophobicContact CG-CE1 3.94Å; E1755-F1862 HydrophobicContact CG-CZ 3.66Å; E1755-F1862 VanDerWaalsContact OE1-CE1 3.24Å; E1755-F1862 WeakPolarHBondContact OE1-CE1 3.32Å; E1755-R1865 IonicContact OE1-CZ 2.7Å; E1755-R1865 IonicContact OE1-NH1 3.74Å; E1755-R1865 PolarHBondContact OE1-NH1 2.85Å; E1755-R1865 IonicContact OE2-NH1 2.98Å |
| 1756 | E | 72.7 | Confident | 67.5 | Low | 113 Ų | 113 | 58 Ų | 58 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -77.4 | -40.3 | -179.3 | -166.2 | 164.6 | -168.5 | 0 | 0 | 112.6 | Q1753 I1754 W1758 N1759 Q1760 | Q1753-E1756 PolarHBondContact O-N 3.47Å; I1754-E1756 VanDerWaalsContact C-N 3.29Å; I1754-E1756 PolarHBondContact O-N 3.08Å; E1756-W1758 VanDerWaalsContact C-N 3.35Å; E1756-N1759 PolarHBondContact O-N 2.96Å; E1756-Q1760 WeakPolarHBondContact O-CG 3.1Å; E1756-Q1760 PolarHBondContact O-N 3.45Å |
| 1757 | T | 70.8 | Confident | 68.2 | Low | 44 Ų | 44 | 61.2 Ų | 61.2 | 27% | 0.27 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 173.5 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | Q1753 I1754 Q1760 C1761 | Q1753-T1757 PolarHBondContact O-N 2.99Å; Q1753-T1757 PolarHBondContact O-OG1 2.65Å; Q1753-T1757 VanDerWaalsContact O-OG1 3.13Å; I1754-T1757 VanDerWaalsContact CA-OG1 3.28Å; I1754-T1757 WeakPolarHBondContact CA-OG1 3.43Å; I1754-T1757 PolarHBondContact O-OG1 3.33Å; I1754-T1757 VanDerWaalsContact O-OG1 3.05Å; T1757-Q1760 PolarHBondContact O-N 3.17Å; T1757-C1761 WeakPolarHBondContact O-CB 3.28Å; T1757-C1761 PolarHBondContact O-N 3.39Å; T1757-C1761 PolarHBondContact O-SG 3.31Å |
| 1758 | W | 79.9 | Confident | 69 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 169 | 168.2 | -101.3 | 0 | 0 | 0 | 111.1 | I1754 E1756 Q1760 C1761 F1762 A1775 I1778 F1779 L1782 L1851 L1854 N1855 | I1754-W1758 WeakPolarHBondContact O-CB 3.34Å; I1754-W1758 PolarHBondContact O-N 3.27Å; E1756-W1758 VanDerWaalsContact C-N 3.35Å; W1758-Q1760 VanDerWaalsContact C-N 3.32Å; W1758-Q1760 PolarHBondContact O-N 2.65Å; W1758-C1761 PolarHBondContact O-N 3.28Å; W1758-F1762 HydrophobicContact CZ2-CD2 4.3Å; W1758-F1762 WeakPolarHBondContact O-CB 3.38Å; W1758-F1762 PolarHBondContact O-N 3.07Å; W1758-A1775 HydrophobicContact CE3-CB 4.45Å; W1758-A1775 HydrophobicContact CZ3-CB 3.8Å; W1758-A1775 VanDerWaalsContact CZ3-O 3.31Å; W1758-A1775 WeakPolarHBondContact CZ3-O 3.44Å; W1758-I1778 HydrophobicContact CB-CG2 3.91Å; W1758-I1778 HydrophobicContact CE3-CG2 4.47Å; W1758-F1779 HydrophobicContact CD2-CD2 4.45Å; W1758-F1779 HydrophobicContact CE3-CB 3.99Å; W1758-F1779 HydrophobicContact CE3-CD2 4.16Å; W1758-F1779 HydrophobicContact CH2-CB 4.22Å; W1758-F1779 AromaticContact CH2-CD2 3.72Å; W1758-F1779 HydrophobicContact CH2-CD2 3.72Å; W1758-F1779 HydrophobicContact CH2-CG 4.27Å; W1758-F1779 HydrophobicContact CZ2-CD2 4.04Å; W1758-F1779 HydrophobicContact CZ3-CB 3.58Å; W1758-F1779 AromaticContact CZ3-CD2 3.81Å; W1758-F1779 HydrophobicContact CZ3-CD2 3.81Å; W1758-F1779 HydrophobicContact CZ3-CG 4.08Å; W1758-L1782 HydrophobicContact CB-CD2 3.92Å; W1758-L1782 HydrophobicContact CD2-CD2 3.95Å; W1758-L1782 HydrophobicContact CG-CD2 3.64Å; W1758-L1851 HydrophobicContact CH2-CD2 4.03Å; W1758-L1854 HydrophobicContact CH2-CD2 4.45Å; W1758-N1855 HydrophobicContact CZ2-CB 4.25Å; W1758-N1855 PolarHBondContact NE1-OD1 2.87Å |
| 1759 | N | 78.6 | Confident | 69.3 | Low | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 179.1 | -70.6 | -22 | 0 | 0 | 0 | 112.2 | E1755 E1756 F1762 L1763 | E1755-N1759 PolarHBondContact O-N 2.87Å; E1755-N1759 VanDerWaalsContact O-N 3.13Å; E1755-N1759 PolarHBondContact O-ND2 3.38Å; E1756-N1759 PolarHBondContact O-N 2.96Å; N1759-F1762 PolarHBondContact O-N 3.24Å; N1759-L1763 WeakPolarHBondContact O-CB 3.48Å; N1759-L1763 VanDerWaalsContact O-CG 3.26Å; N1759-L1763 WeakPolarHBondContact O-CG 3.29Å; N1759-L1763 PolarHBondContact O-N 3.11Å |
| 1760 | Q | 74.5 | Confident | 69.5 | Low | 105 Ų | 105 | 55.3 Ų | 55.3 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 175.8 | -71 | 177.3 | 9.5 | 0 | 0 | 112.2 | E1756 T1757 W1758 L1763 Q1764 | E1756-Q1760 WeakPolarHBondContact O-CG 3.1Å; E1756-Q1760 PolarHBondContact O-N 3.45Å; T1757-Q1760 PolarHBondContact O-N 3.17Å; W1758-Q1760 VanDerWaalsContact C-N 3.32Å; W1758-Q1760 PolarHBondContact O-N 2.65Å; Q1760-L1763 PolarHBondContact O-N 3.25Å; Q1760-Q1764 WeakPolarHBondContact O-CG 3.48Å; Q1760-Q1764 PolarHBondContact O-N 3.22Å; Q1760-Q1764 VanDerWaalsContact O-N 3.07Å |
| 1761 | C | 73.1 | Confident | 69.9 | Low | 19 Ų | 19 | 54.6 Ų | 54.6 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 177.1 | -74.7 | 0 | 0 | 0 | 0 | 112 | T1757 W1758 Q1764 I1765 A1775 I1778 | T1757-C1761 WeakPolarHBondContact O-CB 3.28Å; T1757-C1761 PolarHBondContact O-N 3.39Å; T1757-C1761 PolarHBondContact O-SG 3.31Å; W1758-C1761 PolarHBondContact O-N 3.28Å; C1761-Q1764 PolarHBondContact O-N 3.13Å; C1761-I1765 WeakPolarHBondContact O-CG1 3.48Å; C1761-I1765 PolarHBondContact O-N 3.41Å; C1761-A1775 HydrophobicContact CB-CB 4.48Å; C1761-I1778 HydrophobicContact CB-CD1 4.14Å; C1761-I1778 WeakPolarHBondContact SG-CD1 3.07Å |
| 1762 | F | 75.9 | Confident | 70.4 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.1 | -175.7 | -102.3 | 0 | 0 | 0 | 111.4 | W1758 N1759 Q1764 I1765 L1766 M1852 N1855 | W1758-F1762 HydrophobicContact CZ2-CD2 4.3Å; W1758-F1762 WeakPolarHBondContact O-CB 3.38Å; W1758-F1762 PolarHBondContact O-N 3.07Å; N1759-F1762 PolarHBondContact O-N 3.24Å; F1762-Q1764 VanDerWaalsContact C-N 3.34Å; F1762-Q1764 PolarHBondContact O-N 2.84Å; F1762-I1765 PolarHBondContact O-N 3.3Å; F1762-L1766 WeakPolarHBondContact O-CB 3.36Å; F1762-L1766 PolarHBondContact O-N 2.92Å; F1762-M1852 HydrophobicContact CE2-CG 4.03Å; F1762-M1852 HydrophobicContact CZ-CB 4.4Å; F1762-M1852 HydrophobicContact CZ-CG 3.86Å; F1762-N1855 HydrophobicContact CD2-CB 4.1Å; F1762-N1855 HydrophobicContact CE1-CB 4.26Å; F1762-N1855 HydrophobicContact CE2-CB 3.65Å; F1762-N1855 HydrophobicContact CZ-CB 3.73Å |
| 1763 | L | 75.8 | Confident | 70.4 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 173.9 | -76.6 | 170 | 0 | 0 | 0 | 112.3 | N1759 Q1760 L1766 N1767 | N1759-L1763 WeakPolarHBondContact O-CB 3.48Å; N1759-L1763 VanDerWaalsContact O-CG 3.26Å; N1759-L1763 WeakPolarHBondContact O-CG 3.29Å; N1759-L1763 PolarHBondContact O-N 3.11Å; Q1760-L1763 PolarHBondContact O-N 3.25Å; L1763-L1766 WeakPolarHBondContact O-CB 3.44Å; L1763-L1766 PolarHBondContact O-N 2.91Å; L1763-N1767 WeakPolarHBondContact O-CB 3.32Å; L1763-N1767 VanDerWaalsContact O-CG 3.25Å; L1763-N1767 PolarHBondContact O-N 3.35Å; L1763-N1767 PolarHBondContact O-ND2 3.32Å |
| 1764 | Q | 71.9 | Confident | 70.3 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175 | -68.5 | 176.9 | 8.3 | 0 | 0 | 111.8 | Q1760 C1761 F1762 L1766 N1767 N1768 S1769 G1770 | Q1760-Q1764 WeakPolarHBondContact O-CG 3.48Å; Q1760-Q1764 PolarHBondContact O-N 3.22Å; Q1760-Q1764 VanDerWaalsContact O-N 3.07Å; C1761-Q1764 PolarHBondContact O-N 3.13Å; F1762-Q1764 VanDerWaalsContact C-N 3.34Å; F1762-Q1764 PolarHBondContact O-N 2.84Å; Q1764-L1766 VanDerWaalsContact C-N 3.34Å; Q1764-N1767 CarbonylContact O-C 3.57Å; Q1764-N1767 PolarHBondContact O-N 2.97Å; Q1764-N1768 PolarHBondContact O-N 3.33Å; Q1764-N1768 VanDerWaalsContact O-N 3.12Å; Q1764-S1769 PolarHBondContact O-N 2.65Å; Q1764-S1769 PolarHBondContact O-OG 3.23Å; Q1764-G1770 VanDerWaalsContact C-N 3.34Å; Q1764-G1770 VanDerWaalsContact CB-CA 3.5Å; Q1764-G1770 PolarHBondContact O-N 2.89Å |
| 1765 | I | 71.6 | Confident | 70.3 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 175.5 | -69 | 173.2 | 0 | 0 | 0 | 111 | C1761 F1762 N1767 N1768 I1772 A1775 K1848 L1851 | C1761-I1765 WeakPolarHBondContact O-CG1 3.48Å; C1761-I1765 PolarHBondContact O-N 3.41Å; F1762-I1765 PolarHBondContact O-N 3.3Å; I1765-N1767 VanDerWaalsContact C-N 3.28Å; I1765-N1767 PolarHBondContact O-N 3.01Å; I1765-N1768 PolarHBondContact O-N 3.45Å; I1765-I1772 HydrophobicContact CD1-CG1 4.33Å; I1765-A1775 HydrophobicContact CD1-CB 3.22Å; I1765-K1848 HydrophobicContact CG2-CD 4.25Å; I1765-K1848 HydrophobicContact CG2-CG 3.96Å; I1765-K1848 VanDerWaalsContact O-CE 3.25Å; I1765-K1848 WeakPolarHBondContact O-CE 3.41Å; I1765-K1848 PolarHBondContact O-NZ 3.25Å; I1765-K1848 VanDerWaalsContact O-NZ 3.07Å; I1765-L1851 HydrophobicContact CD1-CD1 4.03Å |
| 1766 | L | 73.3 | Confident | 70.1 | Confident | 45 Ų | 45 | 46 Ų | 46 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 175.9 | -161.3 | 72.7 | 0 | 0 | 0 | 110.5 | V1587 F1762 L1763 Q1764 N1768 K1848 M1852 | V1587-L1766 HydrophobicContact CG2-CD2 3.63Å; F1762-L1766 WeakPolarHBondContact O-CB 3.36Å; F1762-L1766 PolarHBondContact O-N 2.92Å; L1763-L1766 WeakPolarHBondContact O-CB 3.44Å; L1763-L1766 PolarHBondContact O-N 2.91Å; Q1764-L1766 VanDerWaalsContact C-N 3.34Å; L1766-N1768 PolarHBondContact O-N 2.84Å; L1766-K1848 PolarHBondContact O-NZ 3.01Å; L1766-M1852 HydrophobicContact CD1-CE 4.47Å; L1766-M1852 HydrophobicContact CD1-SD 4.35Å |
| 1767 | N | 75.1 | Confident | 69.8 | Low | 67 Ų | 67 | 41.1 Ų | 41.1 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 3.4 | 175.7 | -67.3 | -16.6 | 0 | 0 | 0 | 114.2 | L1763 Q1764 I1765 S1769 | L1763-N1767 WeakPolarHBondContact O-CB 3.32Å; L1763-N1767 VanDerWaalsContact O-CG 3.25Å; L1763-N1767 PolarHBondContact O-N 3.35Å; L1763-N1767 PolarHBondContact O-ND2 3.32Å; Q1764-N1767 CarbonylContact O-C 3.57Å; Q1764-N1767 PolarHBondContact O-N 2.97Å; I1765-N1767 VanDerWaalsContact C-N 3.28Å; I1765-N1767 PolarHBondContact O-N 3.01Å; N1767-S1769 PolarHBondContact O-N 3.35Å; N1767-S1769 VanDerWaalsContact O-N 3.14Å |
| 1768 | N | 68.8 | Low | 70 | Confident | 110 Ų | 110 | 39.8 Ų | 39.8 | 59% | 0.588 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 22.6 | -175.4 | -53.9 | -40.7 | 0 | 0 | 0 | 114.3 | Q1764 I1765 L1766 K1848 | Q1764-N1768 PolarHBondContact O-N 3.33Å; Q1764-N1768 VanDerWaalsContact O-N 3.12Å; I1765-N1768 PolarHBondContact O-N 3.45Å; L1766-N1768 PolarHBondContact O-N 2.84Å; N1768-K1848 PolarHBondContact OD1-NZ 3.37Å |
| 1769 | S | 60.2 | Low | 69.8 | Low | 87 Ų | 87 | 40.3 Ų | 40.3 | 61% | 0.608 | 22% | 0.219 | S | C | * | . | trans | -105 | -14.5 | 177.7 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | Q1764 N1767 | Q1764-S1769 PolarHBondContact O-N 2.65Å; Q1764-S1769 PolarHBondContact O-OG 3.23Å; N1767-S1769 PolarHBondContact O-N 3.35Å; N1767-S1769 VanDerWaalsContact O-N 3.14Å | ||
| 1770 | G | 59.9 | Low | 69.4 | Low | 10 Ų | 10 | 38.4 Ų | 38.4 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -90 | 150.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1764 | Q1764-G1770 VanDerWaalsContact C-N 3.34Å; Q1764-G1770 VanDerWaalsContact CB-CA 3.5Å; Q1764-G1770 PolarHBondContact O-N 2.89Å |
| 1771 | S | 62 | Low | 69.4 | Low | 42 Ų | 42 | 34.7 Ų | 34.7 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | trans | -82.9 | 122.5 | 169 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | R1773 S1774 D1834 | S1771-R1773 PolarHBondContact O-N 3.21Å; S1771-R1773 WeakPolarHBondContact OG-CB 3.18Å; S1771-S1774 WeakPolarHBondContact O-CB 3.34Å; S1771-S1774 PolarHBondContact O-N 3.15Å; S1771-S1774 VanDerWaalsContact O-N 3.07Å; S1771-S1774 PolarHBondContact O-OG 3.09Å; S1771-D1834 PolarHBondContact OG-OD1 3.07Å; S1771-D1834 VanDerWaalsContact OG-OD1 3.14Å | ||
| 1772 | I | 66.1 | Low | 69.7 | Low | 21 Ų | 21 | 33.8 Ų | 33.8 | 11% | 0.108 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.5 | -34.8 | 174.7 | -74.7 | 179.3 | 0 | 0 | 0 | 111.2 | I1765 S1774 A1775 E1776 Y1844 H1847 L1851 | I1765-I1772 HydrophobicContact CD1-CG1 4.33Å; I1772-S1774 VanDerWaalsContact C-N 3.26Å; I1772-S1774 PolarHBondContact O-N 3.29Å; I1772-A1775 PolarHBondContact O-N 3.31Å; I1772-A1775 VanDerWaalsContact O-N 3.13Å; I1772-E1776 HydrophobicContact CG2-CG 4.42Å; I1772-E1776 PolarHBondContact O-N 3.46Å; I1772-E1776 VanDerWaalsContact O-N 3.13Å; I1772-Y1844 HydrophobicContact CD1-CD2 3.22Å; I1772-Y1844 HydrophobicContact CD1-CE2 3.24Å; I1772-Y1844 HydrophobicContact CD1-CG 3.88Å; I1772-Y1844 HydrophobicContact CG1-CD2 4.02Å; I1772-Y1844 HydrophobicContact CG1-CE2 3.54Å; I1772-H1847 HydrophobicContact CD1-CB 4.14Å; I1772-L1851 HydrophobicContact CG1-CD1 4.49Å; I1772-L1851 HydrophobicContact CG2-CD1 4.21Å |
| 1773 | R | 60.9 | Low | 69.9 | Low | 38 Ų | 38 | 32.7 Ų | 32.7 | 14% | 0.143 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.1 | -36.7 | 178.3 | 179.9 | -178.4 | 165.1 | -170.2 | -4 | 113.2 | S1771 L1777 F1831 | S1771-R1773 PolarHBondContact O-N 3.21Å; S1771-R1773 WeakPolarHBondContact OG-CB 3.18Å; R1773-L1777 PolarHBondContact O-N 3.43Å; R1773-F1831 VanDerWaalsContact CZ-CE2 3.41Å; R1773-F1831 VanDerWaalsContact NE-CE2 3.29Å |
| 1774 | S | 63.4 | Low | 69.9 | Low | 13 Ų | 13 | 32.9 Ų | 32.9 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 178 | -43.6 | 0 | 0 | 0 | 0 | 112.3 | F1742 S1771 I1772 L1777 I1778 | F1742-S1774 WeakPolarHBondContact CE2-OG 3.27Å; F1742-S1774 WeakPolarHBondContact CZ-OG 3.48Å; S1771-S1774 WeakPolarHBondContact O-CB 3.34Å; S1771-S1774 PolarHBondContact O-N 3.15Å; S1771-S1774 VanDerWaalsContact O-N 3.07Å; S1771-S1774 PolarHBondContact O-OG 3.09Å; I1772-S1774 VanDerWaalsContact C-N 3.26Å; I1772-S1774 PolarHBondContact O-N 3.29Å; S1774-L1777 PolarHBondContact O-N 3.11Å; S1774-I1778 WeakPolarHBondContact O-CB 3.37Å; S1774-I1778 WeakPolarHBondContact O-CD1 2.89Å; S1774-I1778 VanDerWaalsContact O-CG1 3.26Å; S1774-I1778 WeakPolarHBondContact O-CG1 3.17Å; S1774-I1778 PolarHBondContact O-N 3.28Å |
| 1775 | A | 69.4 | Low | 70.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1758 C1761 I1765 I1772 L1777 I1778 F1779 L1851 | W1758-A1775 HydrophobicContact CE3-CB 4.45Å; W1758-A1775 HydrophobicContact CZ3-CB 3.8Å; W1758-A1775 VanDerWaalsContact CZ3-O 3.31Å; W1758-A1775 WeakPolarHBondContact CZ3-O 3.44Å; C1761-A1775 HydrophobicContact CB-CB 4.48Å; I1765-A1775 HydrophobicContact CD1-CB 3.22Å; I1772-A1775 PolarHBondContact O-N 3.31Å; I1772-A1775 VanDerWaalsContact O-N 3.13Å; A1775-L1777 VanDerWaalsContact C-N 3.3Å; A1775-L1777 PolarHBondContact O-N 3.02Å; A1775-I1778 PolarHBondContact O-N 3.18Å; A1775-F1779 WeakPolarHBondContact O-CB 3.13Å; A1775-F1779 PolarHBondContact O-N 3.16Å; A1775-L1851 HydrophobicContact CB-CD1 4.46Å |
| 1776 | E | 67.9 | Low | 70.8 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 177.9 | -70.7 | -174.4 | 126.8 | 0 | 0 | 112.4 | I1772 F1779 T1780 L1830 L1832 H1847 | I1772-E1776 HydrophobicContact CG2-CG 4.42Å; I1772-E1776 PolarHBondContact O-N 3.46Å; I1772-E1776 VanDerWaalsContact O-N 3.13Å; E1776-F1779 WeakPolarHBondContact O-CB 3.16Å; E1776-F1779 PolarHBondContact O-N 3.43Å; E1776-T1780 WeakPolarHBondContact O-CG2 3.45Å; E1776-T1780 PolarHBondContact O-N 3.19Å; E1776-L1830 WeakPolarHBondContact OE1-CD2 3.24Å; E1776-L1832 WeakPolarHBondContact OE2-CD1 3.32Å; E1776-H1847 IonicContact OE1-CE1 3.52Å; E1776-H1847 PolarHBondContact OE1-CE1 3.32Å; E1776-H1847 IonicContact OE1-NE2 3.51Å; E1776-H1847 PolarHBondContact OE1-NE2 2.83Å; E1776-H1847 VanDerWaalsContact OE1-NE2 3.16Å |
| 1777 | L | 67.7 | Low | 71.2 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -49 | 179.8 | -162 | 90.2 | 0 | 0 | 0 | 111.8 | F1742 L1744 R1773 S1774 A1775 F1779 T1780 Q1781 F1829 L2014 | F1742-L1777 HydrophobicContact CE1-CD2 4.02Å; L1744-L1777 HydrophobicContact CD1-CD2 3.99Å; L1744-L1777 HydrophobicContact CD2-CD2 4.22Å; L1744-L1777 HydrophobicContact CG-CD2 4.19Å; R1773-L1777 PolarHBondContact O-N 3.43Å; S1774-L1777 PolarHBondContact O-N 3.11Å; A1775-L1777 VanDerWaalsContact C-N 3.3Å; A1775-L1777 PolarHBondContact O-N 3.02Å; L1777-F1779 PolarHBondContact O-N 3.39Å; L1777-T1780 PolarHBondContact O-N 3.49Å; L1777-T1780 PolarHBondContact O-OG1 3.41Å; L1777-Q1781 PolarHBondContact O-N 3.29Å; L1777-F1829 HydrophobicContact CD1-CE2 3.65Å; L1777-F1829 HydrophobicContact CD1-CZ 4Å; L1777-L2014 HydrophobicContact CD1-CD1 4.37Å; L1777-L2014 HydrophobicContact CD1-CD2 3.73Å; L1777-L2014 HydrophobicContact CD1-CG 4.44Å; L1777-L2014 HydrophobicContact CD2-CD1 3.73Å; L1777-L2014 HydrophobicContact CD2-CD2 4Å; L1777-L2014 HydrophobicContact CD2-CG 4.49Å |
| 1778 | I | 73 | Confident | 71.5 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.077 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 177.4 | -68 | 165.6 | 0 | 0 | 0 | 110 | I1754 W1758 C1761 S1774 A1775 T1780 Q1781 L1782 | I1754-I1778 HydrophobicContact CG1-CG2 4.2Å; W1758-I1778 HydrophobicContact CB-CG2 3.91Å; W1758-I1778 HydrophobicContact CE3-CG2 4.47Å; C1761-I1778 HydrophobicContact CB-CD1 4.14Å; C1761-I1778 WeakPolarHBondContact SG-CD1 3.07Å; S1774-I1778 WeakPolarHBondContact O-CB 3.37Å; S1774-I1778 WeakPolarHBondContact O-CD1 2.89Å; S1774-I1778 VanDerWaalsContact O-CG1 3.26Å; S1774-I1778 WeakPolarHBondContact O-CG1 3.17Å; S1774-I1778 PolarHBondContact O-N 3.28Å; A1775-I1778 PolarHBondContact O-N 3.18Å; I1778-T1780 PolarHBondContact O-N 3.48Å; I1778-Q1781 PolarHBondContact O-N 3.12Å; I1778-L1782 WeakPolarHBondContact O-CB 3.26Å; I1778-L1782 PolarHBondContact O-N 3.4Å |
| 1779 | F | 75.8 | Confident | 72.2 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.4 | -171.8 | -90.3 | 0 | 0 | 0 | 112.9 | W1758 A1775 E1776 L1777 Q1781 L1782 I1783 L1854 I1913 I1917 | W1758-F1779 HydrophobicContact CD2-CD2 4.45Å; W1758-F1779 HydrophobicContact CE3-CB 3.99Å; W1758-F1779 HydrophobicContact CE3-CD2 4.16Å; W1758-F1779 HydrophobicContact CH2-CB 4.22Å; W1758-F1779 AromaticContact CH2-CD2 3.72Å; W1758-F1779 HydrophobicContact CH2-CD2 3.72Å; W1758-F1779 HydrophobicContact CH2-CG 4.27Å; W1758-F1779 HydrophobicContact CZ2-CD2 4.04Å; W1758-F1779 HydrophobicContact CZ3-CB 3.58Å; W1758-F1779 AromaticContact CZ3-CD2 3.81Å; W1758-F1779 HydrophobicContact CZ3-CD2 3.81Å; W1758-F1779 HydrophobicContact CZ3-CG 4.08Å; A1775-F1779 WeakPolarHBondContact O-CB 3.13Å; A1775-F1779 PolarHBondContact O-N 3.16Å; E1776-F1779 WeakPolarHBondContact O-CB 3.16Å; E1776-F1779 PolarHBondContact O-N 3.43Å; L1777-F1779 PolarHBondContact O-N 3.39Å; F1779-Q1781 PolarHBondContact O-N 2.93Å; F1779-L1782 HydrophobicContact CD2-CD2 4.09Å; F1779-L1782 HydrophobicContact CE2-CD2 4.38Å; F1779-L1782 WeakPolarHBondContact O-CB 3.48Å; F1779-L1782 PolarHBondContact O-N 3.38Å; F1779-L1782 VanDerWaalsContact O-N 3.12Å; F1779-I1783 HydrophobicContact CE1-CB 4.07Å; F1779-I1783 HydrophobicContact CE1-CG2 4.48Å; F1779-I1783 HydrophobicContact CZ-CB 4.36Å; F1779-I1783 PolarHBondContact O-N 3Å; F1779-L1854 HydrophobicContact CD1-CD2 3.93Å; F1779-L1854 HydrophobicContact CD2-CD2 3.62Å; F1779-L1854 HydrophobicContact CD2-CG 4.19Å; F1779-L1854 HydrophobicContact CE1-CD1 4.19Å; F1779-L1854 HydrophobicContact CE1-CD2 3.78Å; F1779-L1854 HydrophobicContact CE1-CG 4.37Å; F1779-L1854 HydrophobicContact CE2-CD1 3.93Å; F1779-L1854 HydrophobicContact CE2-CD2 3.42Å; F1779-L1854 VanDerWaalsContact CE2-CD2 3.42Å; F1779-L1854 HydrophobicContact CE2-CG 3.54Å; F1779-L1854 HydrophobicContact CG-CD2 3.88Å; F1779-L1854 HydrophobicContact CZ-CD1 3.53Å; F1779-L1854 HydrophobicContact CZ-CD2 3.53Å; F1779-L1854 HydrophobicContact CZ-CG 3.67Å; F1779-I1913 HydrophobicContact CZ-CG2 3.97Å; F1779-I1917 HydrophobicContact CD1-CG1 4.49Å; F1779-I1917 HydrophobicContact CE1-CD1 3.39Å; F1779-I1917 HydrophobicContact CE1-CG1 3.49Å; F1779-I1917 VanDerWaalsContact CE1-CG1 3.49Å; F1779-I1917 HydrophobicContact CZ-CD1 3.83Å; F1779-I1917 HydrophobicContact CZ-CG1 3.96Å |
| 1780 | T | 71.3 | Confident | 73.6 | Confident | 31 Ų | 31 | 25.4 Ų | 25.4 | 19% | 0.19 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.3 | -32.3 | 175.9 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | E1776 L1777 I1778 I1783 R1784 | E1776-T1780 WeakPolarHBondContact O-CG2 3.45Å; E1776-T1780 PolarHBondContact O-N 3.19Å; L1777-T1780 PolarHBondContact O-N 3.49Å; L1777-T1780 PolarHBondContact O-OG1 3.41Å; I1778-T1780 PolarHBondContact O-N 3.48Å; T1780-I1783 VanDerWaalsContact O-CG2 3.28Å; T1780-I1783 WeakPolarHBondContact O-CG2 3.39Å; T1780-R1784 PolarHBondContact O-N 3.35Å |
| 1781 | Q | 73.5 | Confident | 74.9 | Confident | 26 Ų | 26 | 25.2 Ų | 25.2 | 12% | 0.121 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -75.5 | -39.9 | 173.6 | -63.5 | -171.6 | -32.9 | 0 | 0 | 111.3 | I1754 L1777 I1778 F1779 I1783 R1784 E1785 | I1754-Q1781 HydrophobicContact CD1-CB 3.26Å; I1754-Q1781 HydrophobicContact CD1-CG 4.33Å; I1754-Q1781 HydrophobicContact CG1-CB 4.48Å; L1777-Q1781 PolarHBondContact O-N 3.29Å; I1778-Q1781 PolarHBondContact O-N 3.12Å; F1779-Q1781 PolarHBondContact O-N 2.93Å; Q1781-I1783 PolarHBondContact O-N 3.37Å; Q1781-R1784 WeakPolarHBondContact O-CB 3.48Å; Q1781-R1784 PolarHBondContact O-N 2.85Å; Q1781-E1785 PolarHBondContact O-N 3.29Å |
| 1782 | L | 80.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 177 | -173.4 | 65.1 | 0 | 0 | 0 | 112.4 | I1754 E1755 W1758 I1778 F1779 R1784 E1785 T1786 L1858 F1862 | I1754-L1782 HydrophobicContact CG2-CD1 3.76Å; E1755-L1782 HydrophobicContact CG-CD1 3.86Å; W1758-L1782 HydrophobicContact CB-CD2 3.92Å; W1758-L1782 HydrophobicContact CD2-CD2 3.95Å; W1758-L1782 HydrophobicContact CG-CD2 3.64Å; I1778-L1782 WeakPolarHBondContact O-CB 3.26Å; I1778-L1782 PolarHBondContact O-N 3.4Å; F1779-L1782 HydrophobicContact CD2-CD2 4.09Å; F1779-L1782 HydrophobicContact CE2-CD2 4.38Å; F1779-L1782 WeakPolarHBondContact O-CB 3.48Å; F1779-L1782 PolarHBondContact O-N 3.38Å; F1779-L1782 VanDerWaalsContact O-N 3.12Å; L1782-R1784 VanDerWaalsContact C-N 3.33Å; L1782-R1784 PolarHBondContact O-N 3.04Å; L1782-E1785 PolarHBondContact O-N 3.27Å; L1782-T1786 HydrophobicContact CD1-CG2 4.41Å; L1782-T1786 HydrophobicContact CG-CG2 4.5Å; L1782-T1786 WeakPolarHBondContact O-CB 3.46Å; L1782-T1786 VanDerWaalsContact O-CG2 3.24Å; L1782-T1786 WeakPolarHBondContact O-CG2 3.12Å; L1782-T1786 PolarHBondContact O-N 2.87Å; L1782-T1786 PolarHBondContact O-OG1 3.29Å; L1782-L1858 HydrophobicContact CD2-CD1 4.14Å; L1782-L1858 HydrophobicContact CD2-CD2 3.42Å; L1782-L1858 VanDerWaalsContact CD2-CD2 3.42Å; L1782-L1858 HydrophobicContact CD2-CG 4.42Å; L1782-L1858 HydrophobicContact CG-CD1 4.38Å; L1782-L1858 HydrophobicContact CG-CD2 4.4Å; L1782-F1862 HydrophobicContact CD1-CZ 4.37Å |
| 1783 | I | 80.2 | Confident | 77.4 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 177.4 | -166 | 62.6 | 0 | 0 | 0 | 111.9 | F1779 T1780 Q1781 T1786 S1787 F1827 I1913 I1917 | F1779-I1783 HydrophobicContact CE1-CB 4.07Å; F1779-I1783 HydrophobicContact CE1-CG2 4.48Å; F1779-I1783 HydrophobicContact CZ-CB 4.36Å; F1779-I1783 PolarHBondContact O-N 3Å; T1780-I1783 VanDerWaalsContact O-CG2 3.28Å; T1780-I1783 WeakPolarHBondContact O-CG2 3.39Å; Q1781-I1783 PolarHBondContact O-N 3.37Å; I1783-T1786 VanDerWaalsContact CA-OG1 3.27Å; I1783-T1786 WeakPolarHBondContact CA-OG1 3.47Å; I1783-T1786 PolarHBondContact O-OG1 3.46Å; I1783-T1786 VanDerWaalsContact O-OG1 3.05Å; I1783-S1787 VanDerWaalsContact O-CB 3.24Å; I1783-S1787 WeakPolarHBondContact O-CB 3.33Å; I1783-S1787 PolarHBondContact O-N 2.63Å; I1783-S1787 PolarHBondContact O-OG 2.92Å; I1783-F1827 HydrophobicContact CG2-CB 4.39Å; I1783-I1913 HydrophobicContact CD1-CG2 3.57Å; I1783-I1917 HydrophobicContact CD1-CD1 4.06Å; I1783-I1917 HydrophobicContact CG1-CD1 3.95Å |
| 1784 | R | 76.5 | Confident | 78.8 | Confident | 86 Ų | 86 | 22.8 Ų | 22.8 | 33% | 0.325 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.9 | -173.7 | -177.5 | -73.4 | 170.4 | 0.5 | 110.2 | T1780 Q1781 L1782 H1788 A1825 E2010 | T1780-R1784 PolarHBondContact O-N 3.35Å; Q1781-R1784 WeakPolarHBondContact O-CB 3.48Å; Q1781-R1784 PolarHBondContact O-N 2.85Å; L1782-R1784 VanDerWaalsContact C-N 3.33Å; L1782-R1784 PolarHBondContact O-N 3.04Å; R1784-H1788 PolarHBondContact O-N 3.37Å; R1784-H1788 VanDerWaalsContact O-N 3.15Å; R1784-H1788 PolarHBondContact O-ND1 3.47Å; R1784-A1825 HydrophobicContact CG-CB 4.34Å; R1784-E2010 IonicContact NH1-OE1 3.92Å; R1784-E2010 PolarHBondContact NH1-OE1 2.97Å |
| 1785 | E | 79.7 | Confident | 80.2 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 16% | 0.164 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | -179.9 | -172.4 | 173 | 154.9 | 0 | 0 | 112.3 | I1754 Q1781 L1782 S1787 H1788 K1789 | I1754-E1785 WeakPolarHBondContact CG2-OE2 3.39Å; Q1781-E1785 PolarHBondContact O-N 3.29Å; L1782-E1785 PolarHBondContact O-N 3.27Å; E1785-S1787 PolarHBondContact O-N 3.23Å; E1785-H1788 PolarHBondContact O-N 2.89Å; E1785-K1789 HydrophobicContact CG-CD 4.19Å; E1785-K1789 HydrophobicContact CG-CG 4.43Å; E1785-K1789 WeakPolarHBondContact O-CB 3.28Å; E1785-K1789 WeakPolarHBondContact O-CG 3.32Å; E1785-K1789 PolarHBondContact O-N 3.02Å; E1785-K1789 WeakPolarHBondContact OE1-CE 3.48Å; E1785-K1789 IonicContact OE1-NZ 3.97Å; E1785-K1789 PolarHBondContact OE1-NZ 2.78Å |
| 1786 | T | 81.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 177.7 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | L1782 I1783 H1788 K1789 V1790 L1858 Y1861 F1862 | L1782-T1786 HydrophobicContact CD1-CG2 4.41Å; L1782-T1786 HydrophobicContact CG-CG2 4.5Å; L1782-T1786 WeakPolarHBondContact O-CB 3.46Å; L1782-T1786 VanDerWaalsContact O-CG2 3.24Å; L1782-T1786 WeakPolarHBondContact O-CG2 3.12Å; L1782-T1786 PolarHBondContact O-N 2.87Å; L1782-T1786 PolarHBondContact O-OG1 3.29Å; I1783-T1786 VanDerWaalsContact CA-OG1 3.27Å; I1783-T1786 WeakPolarHBondContact CA-OG1 3.47Å; I1783-T1786 PolarHBondContact O-OG1 3.46Å; I1783-T1786 VanDerWaalsContact O-OG1 3.05Å; T1786-H1788 VanDerWaalsContact C-N 3.34Å; T1786-H1788 PolarHBondContact O-N 2.85Å; T1786-K1789 PolarHBondContact O-N 2.95Å; T1786-V1790 WeakPolarHBondContact O-CG2 3.46Å; T1786-V1790 PolarHBondContact O-N 3.12Å; T1786-L1858 HydrophobicContact CG2-CD1 4.43Å; T1786-Y1861 HydrophobicContact CG2-CD1 4.36Å; T1786-Y1861 HydrophobicContact CG2-CE1 3.6Å; T1786-Y1861 PolarHBondContact O-OH 3.12Å; T1786-F1862 HydrophobicContact CG2-CE1 4.16Å |
| 1787 | S | 81.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -38.9 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | I1783 E1785 S1791 | I1783-S1787 VanDerWaalsContact O-CB 3.24Å; I1783-S1787 WeakPolarHBondContact O-CB 3.33Å; I1783-S1787 PolarHBondContact O-N 2.63Å; I1783-S1787 PolarHBondContact O-OG 2.92Å; E1785-S1787 PolarHBondContact O-N 3.23Å; S1787-S1791 VanDerWaalsContact O-CB 3.27Å; S1787-S1791 WeakPolarHBondContact O-CB 3.4Å; S1787-S1791 PolarHBondContact O-N 3.23Å; S1787-S1791 PolarHBondContact O-OG 3.44Å |
| 1788 | H | 82.5 | Confident | 83.4 | Confident | 99 Ų | 99 | 31.7 Ų | 31.7 | 46% | 0.458 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -69.4 | -45.3 | 175 | -78.3 | 81.5 | 0 | 0 | 0 | 112.1 | R1784 E1785 T1786 V1790 S1791 G1792 | R1784-H1788 PolarHBondContact O-N 3.37Å; R1784-H1788 VanDerWaalsContact O-N 3.15Å; R1784-H1788 PolarHBondContact O-ND1 3.47Å; E1785-H1788 PolarHBondContact O-N 2.89Å; T1786-H1788 VanDerWaalsContact C-N 3.34Å; T1786-H1788 PolarHBondContact O-N 2.85Å; H1788-V1790 VanDerWaalsContact C-N 3.35Å; H1788-V1790 PolarHBondContact O-N 3.44Å; H1788-S1791 WeakPolarHBondContact O-CB 3.47Å; H1788-S1791 PolarHBondContact O-N 2.99Å; H1788-G1792 PolarHBondContact O-N 2.79Å |
| 1789 | K | 84.1 | Confident | 84.3 | Confident | 75 Ų | 75 | 36.4 Ų | 36.4 | 33% | 0.326 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 177.3 | -76.2 | 177.9 | 179.3 | 169.6 | 0 | 111.3 | E1755 E1785 T1786 G1792 L1793 | E1755-K1789 IonicContact OE1-NZ 2.85Å; E1755-K1789 PolarHBondContact OE1-NZ 2.94Å; E1755-K1789 VanDerWaalsContact OE1-NZ 3.09Å; E1785-K1789 HydrophobicContact CG-CD 4.19Å; E1785-K1789 HydrophobicContact CG-CG 4.43Å; E1785-K1789 WeakPolarHBondContact O-CB 3.28Å; E1785-K1789 WeakPolarHBondContact O-CG 3.32Å; E1785-K1789 PolarHBondContact O-N 3.02Å; E1785-K1789 WeakPolarHBondContact OE1-CE 3.48Å; E1785-K1789 IonicContact OE1-NZ 3.97Å; E1785-K1789 PolarHBondContact OE1-NZ 2.78Å; T1786-K1789 PolarHBondContact O-N 2.95Å; K1789-G1792 PolarHBondContact O-N 3.46Å; K1789-L1793 PolarHBondContact O-N 3.22Å |
| 1790 | V | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.3 | -40.2 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | T1786 H1788 G1792 L1793 I1794 L1821 Y1861 L1906 I1910 | T1786-V1790 WeakPolarHBondContact O-CG2 3.46Å; T1786-V1790 PolarHBondContact O-N 3.12Å; H1788-V1790 VanDerWaalsContact C-N 3.35Å; H1788-V1790 PolarHBondContact O-N 3.44Å; V1790-G1792 PolarHBondContact O-N 3.25Å; V1790-L1793 PolarHBondContact O-N 3.14Å; V1790-L1793 VanDerWaalsContact O-N 3.15Å; V1790-I1794 HydrophobicContact CG1-CD1 3.55Å; V1790-I1794 HydrophobicContact CG1-CG1 4Å; V1790-I1794 WeakPolarHBondContact O-CB 3.3Å; V1790-I1794 WeakPolarHBondContact O-CG1 3.43Å; V1790-I1794 PolarHBondContact O-N 3.23Å; V1790-L1821 HydrophobicContact CG1-CD1 3.81Å; V1790-Y1861 HydrophobicContact CG2-CE2 3.32Å; V1790-Y1861 WeakPolarHBondContact CG2-OH 3.49Å; V1790-L1906 HydrophobicContact CG1-CD2 4.06Å; V1790-L1906 HydrophobicContact CG1-CG 4.43Å; V1790-L1906 HydrophobicContact CG2-CD2 3.94Å; V1790-L1906 HydrophobicContact CG2-CG 4.23Å; V1790-I1910 HydrophobicContact CB-CD1 3.76Å; V1790-I1910 HydrophobicContact CG1-CD1 3.8Å; V1790-I1910 HydrophobicContact CG2-CD1 3.64Å |
| 1791 | S | 88.1 | Confident | 85.6 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -40.6 | 175 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | S1787 H1788 R1795 | S1787-S1791 VanDerWaalsContact O-CB 3.27Å; S1787-S1791 WeakPolarHBondContact O-CB 3.4Å; S1787-S1791 PolarHBondContact O-N 3.23Å; S1787-S1791 PolarHBondContact O-OG 3.44Å; H1788-S1791 WeakPolarHBondContact O-CB 3.47Å; H1788-S1791 PolarHBondContact O-N 2.99Å; S1791-R1795 VanDerWaalsContact O-CG 3.32Å; S1791-R1795 WeakPolarHBondContact O-CG 3.28Å; S1791-R1795 PolarHBondContact O-N 3.12Å; S1791-R1795 VanDerWaalsContact O-N 3.13Å |
| 1792 | G | 88.4 | Confident | 86.2 | Confident | 32 Ų | 32 | 37.9 Ų | 37.9 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.3 | -50 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1788 K1789 V1790 I1794 R1795 D1796 | H1788-G1792 PolarHBondContact O-N 2.79Å; K1789-G1792 PolarHBondContact O-N 3.46Å; V1790-G1792 PolarHBondContact O-N 3.25Å; G1792-I1794 VanDerWaalsContact C-N 3.34Å; G1792-I1794 PolarHBondContact O-N 2.68Å; G1792-R1795 PolarHBondContact O-N 2.88Å; G1792-D1796 PolarHBondContact O-N 3.25Å |
| 1793 | L | 91.1 | Very high | 86.3 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | -179.8 | -173.9 | 63.1 | 0 | 0 | 0 | 112.7 | K1789 V1790 D1796 A1797 R1865 T1868 I1869 L1872 L1906 | K1789-L1793 PolarHBondContact O-N 3.22Å; V1790-L1793 PolarHBondContact O-N 3.14Å; V1790-L1793 VanDerWaalsContact O-N 3.15Å; L1793-D1796 PolarHBondContact O-N 3.12Å; L1793-A1797 WeakPolarHBondContact O-CB 3.33Å; L1793-A1797 PolarHBondContact O-N 3.42Å; L1793-R1865 HydrophobicContact CD2-CG 4.32Å; L1793-T1868 HydrophobicContact CD2-CG2 3.88Å; L1793-T1868 HydrophobicContact CG-CG2 4.37Å; L1793-I1869 HydrophobicContact CD1-CG1 3.73Å; L1793-I1869 HydrophobicContact CD2-CG1 4.1Å; L1793-L1872 HydrophobicContact CD1-CD2 3.94Å; L1793-L1906 HydrophobicContact CD2-CD2 3.79Å |
| 1794 | I | 91.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.1 | -69.5 | 170.3 | 0 | 0 | 0 | 110.2 | V1790 G1792 D1796 A1797 C1798 F1814 V1818 L1821 L1903 L1907 | V1790-I1794 HydrophobicContact CG1-CD1 3.55Å; V1790-I1794 HydrophobicContact CG1-CG1 4Å; V1790-I1794 WeakPolarHBondContact O-CB 3.3Å; V1790-I1794 WeakPolarHBondContact O-CG1 3.43Å; V1790-I1794 PolarHBondContact O-N 3.23Å; G1792-I1794 VanDerWaalsContact C-N 3.34Å; G1792-I1794 PolarHBondContact O-N 2.68Å; I1794-D1796 VanDerWaalsContact C-N 3.33Å; I1794-D1796 PolarHBondContact O-N 3.21Å; I1794-A1797 PolarHBondContact O-N 3.11Å; I1794-C1798 VanDerWaalsContact O-CB 3.23Å; I1794-C1798 WeakPolarHBondContact O-CB 3.14Å; I1794-C1798 PolarHBondContact O-N 2.93Å; I1794-C1798 PolarHBondContact O-SG 3.12Å; I1794-F1814 HydrophobicContact CG2-CB 3.96Å; I1794-V1818 HydrophobicContact CB-CG2 3.99Å; I1794-V1818 HydrophobicContact CD1-CG2 4.49Å; I1794-V1818 HydrophobicContact CG2-CG2 3.63Å; I1794-L1821 HydrophobicContact CD1-CD1 3.54Å; I1794-L1903 HydrophobicContact CG1-CD2 4.07Å; I1794-L1907 HydrophobicContact CD1-CD1 3.93Å; I1794-L1907 HydrophobicContact CD1-CD2 4.34Å; I1794-L1907 HydrophobicContact CD1-CG 4.02Å |
| 1795 | R | 92.7 | Very high | 86.2 | Confident | 136 Ų | 136 | 46.7 Ų | 46.7 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 178.1 | -76.3 | 177.3 | -178.5 | -175.7 | 5.1 | 112 | S1791 G1792 C1798 H1799 L1815 V1818 | S1791-R1795 VanDerWaalsContact O-CG 3.32Å; S1791-R1795 WeakPolarHBondContact O-CG 3.28Å; S1791-R1795 PolarHBondContact O-N 3.12Å; S1791-R1795 VanDerWaalsContact O-N 3.13Å; G1792-R1795 PolarHBondContact O-N 2.88Å; R1795-C1798 PolarHBondContact O-N 3.36Å; R1795-H1799 PolarHBondContact O-N 3.48Å; R1795-L1815 HydrophobicContact CG-CD2 4.25Å; R1795-V1818 HydrophobicContact CG-CG2 4.41Å |
| 1796 | D | 89.9 | Confident | 86.3 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 177.7 | -81.4 | 4.9 | 0 | 0 | 0 | 111.2 | G1792 L1793 I1794 H1799 F1800 L1872 | G1792-D1796 PolarHBondContact O-N 3.25Å; L1793-D1796 PolarHBondContact O-N 3.12Å; I1794-D1796 VanDerWaalsContact C-N 3.33Å; I1794-D1796 PolarHBondContact O-N 3.21Å; D1796-H1799 WeakPolarHBondContact O-CB 3.4Å; D1796-H1799 PolarHBondContact O-N 2.99Å; D1796-F1800 WeakPolarHBondContact O-CD2 3.42Å; D1796-F1800 WeakPolarHBondContact O-CE2 3.26Å; D1796-L1872 HydrophobicContact CB-CD2 4.31Å |
| 1797 | A | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1793 I1794 H1799 F1800 L1801 L1872 L1899 L1903 | L1793-A1797 WeakPolarHBondContact O-CB 3.33Å; L1793-A1797 PolarHBondContact O-N 3.42Å; I1794-A1797 PolarHBondContact O-N 3.11Å; A1797-H1799 VanDerWaalsContact C-N 3.3Å; A1797-H1799 PolarHBondContact O-N 3.36Å; A1797-F1800 PolarHBondContact O-N 3.17Å; A1797-F1800 VanDerWaalsContact O-N 3.15Å; A1797-L1801 WeakPolarHBondContact O-CG 3.4Å; A1797-L1801 PolarHBondContact O-N 3.27Å; A1797-L1872 HydrophobicContact CB-CD1 3.97Å; A1797-L1872 HydrophobicContact CB-CD2 4.38Å; A1797-L1899 HydrophobicContact CB-CD1 4.22Å; A1797-L1899 HydrophobicContact CB-CD2 4.13Å; A1797-L1899 HydrophobicContact CB-CG 4.37Å; A1797-L1903 HydrophobicContact CB-CD1 3.72Å; A1797-L1903 HydrophobicContact CB-CD2 4.02Å; A1797-L1903 HydrophobicContact CB-CG 4.36Å |
| 1798 | C | 90.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 175.9 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | I1794 R1795 F1800 L1801 S1802 T1811 F1814 L1815 | I1794-C1798 VanDerWaalsContact O-CB 3.23Å; I1794-C1798 WeakPolarHBondContact O-CB 3.14Å; I1794-C1798 PolarHBondContact O-N 2.93Å; I1794-C1798 PolarHBondContact O-SG 3.12Å; R1795-C1798 PolarHBondContact O-N 3.36Å; C1798-F1800 VanDerWaalsContact C-N 3.3Å; C1798-F1800 PolarHBondContact O-N 3.33Å; C1798-L1801 PolarHBondContact O-N 2.79Å; C1798-S1802 WeakPolarHBondContact O-CB 3.26Å; C1798-S1802 PolarHBondContact O-N 3.33Å; C1798-S1802 PolarHBondContact O-OG 2.88Å; C1798-T1811 HydrophobicContact CB-CG2 3.59Å; C1798-T1811 WeakPolarHBondContact O-CG2 3.44Å; C1798-F1814 WeakPolarHBondContact SG-CB 3.23Å; C1798-L1815 HydrophobicContact CB-CD1 4.37Å; C1798-L1815 HydrophobicContact CB-CD2 3.88Å; C1798-L1815 HydrophobicContact CB-CG 3.93Å |
| 1799 | H | 90.3 | Very high | 86.7 | Confident | 115 Ų | 115 | 54 Ų | 54 | 53% | 0.532 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.9 | -44.7 | 175.2 | 176.4 | -84 | 0 | 0 | 0 | 111.3 | R1795 D1796 A1797 S1802 | R1795-H1799 PolarHBondContact O-N 3.48Å; D1796-H1799 WeakPolarHBondContact O-CB 3.4Å; D1796-H1799 PolarHBondContact O-N 2.99Å; A1797-H1799 VanDerWaalsContact C-N 3.3Å; A1797-H1799 PolarHBondContact O-N 3.36Å; H1799-S1802 PolarHBondContact O-OG 2.95Å |
| 1800 | F | 88.3 | Confident | 86.9 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.6 | -38.1 | 178.3 | -63.2 | -75.7 | 0 | 0 | 0 | 113 | D1796 A1797 C1798 S1802 M1803 L1872 F1875 K1876 L1879 | D1796-F1800 WeakPolarHBondContact O-CD2 3.42Å; D1796-F1800 WeakPolarHBondContact O-CE2 3.26Å; A1797-F1800 PolarHBondContact O-N 3.17Å; A1797-F1800 VanDerWaalsContact O-N 3.15Å; C1798-F1800 VanDerWaalsContact C-N 3.3Å; C1798-F1800 PolarHBondContact O-N 3.33Å; F1800-S1802 VanDerWaalsContact C-N 3.29Å; F1800-S1802 PolarHBondContact O-N 2.99Å; F1800-M1803 WeakPolarHBondContact O-CB 3.23Å; F1800-M1803 PolarHBondContact O-N 3.24Å; F1800-L1872 HydrophobicContact CD2-CD1 4.02Å; F1800-F1875 HydrophobicContact CB-CD1 3.93Å; F1800-F1875 HydrophobicContact CB-CE1 3.68Å; F1800-K1876 HydrophobicContact CD1-CG 4.1Å; F1800-K1876 HydrophobicContact CD2-CD 4.46Å; F1800-K1876 HydrophobicContact CD2-CG 4.02Å; F1800-K1876 HydrophobicContact CE1-CG 4.01Å; F1800-K1876 HydrophobicContact CE2-CD 4.06Å; F1800-K1876 HydrophobicContact CE2-CG 4.01Å; F1800-K1876 HydrophobicContact CG-CG 4.11Å; F1800-K1876 HydrophobicContact CZ-CD 4.13Å; F1800-K1876 VanDerWaalsContact CZ-CE 3.47Å; F1800-K1876 HydrophobicContact CZ-CG 3.98Å; F1800-L1879 HydrophobicContact CB-CD1 3.94Å; F1800-L1879 HydrophobicContact CD1-CD1 4.12Å; F1800-L1879 HydrophobicContact CG-CD1 4.46Å |
| 1801 | L | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 177.1 | -71.7 | 170.2 | 0 | 0 | 0 | 111.7 | A1797 C1798 M1803 S1804 F1807 T1811 F1875 L1899 L1903 | A1797-L1801 WeakPolarHBondContact O-CG 3.4Å; A1797-L1801 PolarHBondContact O-N 3.27Å; C1798-L1801 PolarHBondContact O-N 2.79Å; L1801-M1803 PolarHBondContact O-N 3.29Å; L1801-M1803 VanDerWaalsContact O-N 3.13Å; L1801-S1804 PolarHBondContact O-N 3.32Å; L1801-S1804 VanDerWaalsContact O-N 3.13Å; L1801-F1807 HydrophobicContact CB-CB 4.18Å; L1801-F1807 HydrophobicContact CD2-CB 4.36Å; L1801-F1807 HydrophobicContact CD2-CD1 4.19Å; L1801-F1807 HydrophobicContact CD2-CD2 4.28Å; L1801-F1807 HydrophobicContact CD2-CG 4.04Å; L1801-T1811 WeakPolarHBondContact CB-OG1 3.44Å; L1801-F1875 HydrophobicContact CD2-CE1 3.98Å; L1801-F1875 HydrophobicContact CD2-CZ 4.14Å; L1801-F1875 HydrophobicContact CG-CE1 4.37Å; L1801-L1899 HydrophobicContact CD1-CD2 4.2Å; L1801-L1899 HydrophobicContact CD1-CG 4.36Å; L1801-L1899 HydrophobicContact CD2-CD2 4.04Å; L1801-L1899 HydrophobicContact CG-CD2 3.95Å; L1801-L1903 HydrophobicContact CD1-CD1 4.07Å |
| 1802 | S | 84.7 | Confident | 86.7 | Confident | 43 Ų | 43 | 52 Ų | 52 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.2 | 178.3 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | C1798 H1799 F1800 S1804 | C1798-S1802 WeakPolarHBondContact O-CB 3.26Å; C1798-S1802 PolarHBondContact O-N 3.33Å; C1798-S1802 PolarHBondContact O-OG 2.88Å; H1799-S1802 PolarHBondContact O-OG 2.95Å; F1800-S1802 VanDerWaalsContact C-N 3.29Å; F1800-S1802 PolarHBondContact O-N 2.99Å; S1802-S1804 PolarHBondContact O-N 3.3Å |
| 1803 | M | 82.6 | Confident | 86.6 | Confident | 132 Ų | 132 | 51.8 Ų | 51.8 | 65% | 0.65 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.4 | 177.4 | -64.4 | -69.6 | -67.6 | 0 | 0 | 112.6 | F1800 L1801 | F1800-M1803 WeakPolarHBondContact O-CB 3.23Å; F1800-M1803 PolarHBondContact O-N 3.24Å; L1801-M1803 PolarHBondContact O-N 3.29Å; L1801-M1803 VanDerWaalsContact O-N 3.13Å |
| 1804 | S | 78.3 | Confident | 86.6 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -111.1 | 122.3 | 176.2 | 168.1 | 0 | 0 | 0 | 0 | 109.9 | L1801 S1802 M1806 F1807 | L1801-S1804 PolarHBondContact O-N 3.32Å; L1801-S1804 VanDerWaalsContact O-N 3.13Å; S1802-S1804 PolarHBondContact O-N 3.3Å; S1804-M1806 PolarHBondContact O-N 3.23Å; S1804-F1807 PolarHBondContact O-N 2.64Å; S1804-F1807 VanDerWaalsContact O-N 3.12Å |
| 1805 | P | 77.1 | Confident | 86.5 | Confident | 112 Ų | 112 | 54.6 Ų | 54.6 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.9 | -174.4 | 25.3 | -33.9 | 0 | 0 | 0 | 113.2 | F1807 | P1805-F1807 VanDerWaalsContact C-N 3.33Å; P1805-F1807 PolarHBondContact O-N 3.3Å |
| 1806 | M | 80.9 | Confident | 86.2 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -65.1 | -33.2 | 177.2 | -176.5 | 175.8 | 169.1 | 0 | 0 | 112.9 | S1804 K1893 L2058 S2061 V2062 | S1804-M1806 PolarHBondContact O-N 3.23Å; M1806-K1893 HydrophobicContact SD-CD 4.16Å; M1806-K1893 HydrophobicContact SD-CG 4.3Å; M1806-L2058 HydrophobicContact CE-CD2 4.11Å; M1806-L2058 HydrophobicContact CE-CG 3.92Å; M1806-L2058 HydrophobicContact CG-CD1 4.48Å; M1806-L2058 WeakPolarHBondContact O-CD1 3.37Å; M1806-S2061 WeakPolarHBondContact CE-OG 3.39Å; M1806-V2062 HydrophobicContact CE-CB 4.14Å; M1806-V2062 HydrophobicContact CE-CG2 3.14Å; M1806-V2062 HydrophobicContact SD-CG2 4.27Å |
| 1807 | F | 87.4 | Confident | 86 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -96.7 | 5.6 | -175.8 | -56.5 | -80.9 | 0 | 0 | 0 | 113.4 | L1801 S1804 P1805 D1809 V1810 T1811 G1896 L2058 | L1801-F1807 HydrophobicContact CB-CB 4.18Å; L1801-F1807 HydrophobicContact CD2-CB 4.36Å; L1801-F1807 HydrophobicContact CD2-CD1 4.19Å; L1801-F1807 HydrophobicContact CD2-CD2 4.28Å; L1801-F1807 HydrophobicContact CD2-CG 4.04Å; S1804-F1807 PolarHBondContact O-N 2.64Å; S1804-F1807 VanDerWaalsContact O-N 3.12Å; P1805-F1807 VanDerWaalsContact C-N 3.33Å; P1805-F1807 PolarHBondContact O-N 3.3Å; F1807-D1809 PolarHBondContact O-N 3.46Å; F1807-V1810 PolarHBondContact O-N 2.84Å; F1807-T1811 VanDerWaalsContact O-CB 3.28Å; F1807-T1811 WeakPolarHBondContact O-CB 3.23Å; F1807-T1811 PolarHBondContact O-N 3.39Å; F1807-T1811 PolarHBondContact O-OG1 3.33Å; F1807-G1896 VanDerWaalsContact CE1-C 3.46Å; F1807-L2058 HydrophobicContact CD1-CD1 4.26Å; F1807-L2058 HydrophobicContact CD1-CD2 3.39Å; F1807-L2058 HydrophobicContact CD1-CG 4.47Å; F1807-L2058 HydrophobicContact CE1-CD2 3.25Å; F1807-L2058 HydrophobicContact CZ-CD2 4.35Å |
| 1808 | H | 85.3 | Confident | 85.9 | Confident | 110 Ų | 110 | 48.4 Ų | 48.4 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | -168 | -131.7 | -63.8 | 0 | 0 | 0 | 112.9 | T1811 G1812 | H1808-T1811 PolarHBondContact O-N 3.48Å; H1808-G1812 PolarHBondContact O-N 3.4Å |
| 1809 | D | 81.6 | Confident | 85.6 | Confident | 131 Ų | 131 | 52.4 Ų | 52.4 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.4 | -47.7 | 179.5 | -65.9 | -24.2 | 0 | 0 | 0 | 111.6 | F1807 T1811 G1812 Q1813 | F1807-D1809 PolarHBondContact O-N 3.46Å; D1809-T1811 VanDerWaalsContact C-N 3.32Å; D1809-T1811 PolarHBondContact O-N 3.37Å; D1809-G1812 PolarHBondContact O-N 3.46Å; D1809-Q1813 PolarHBondContact O-N 2.75Å |
| 1810 | V | 87.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 177 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | F1807 G1812 Q1813 F1814 L2051 Q2054 I2055 L2058 | F1807-V1810 PolarHBondContact O-N 2.84Å; V1810-G1812 VanDerWaalsContact C-N 3.3Å; V1810-G1812 PolarHBondContact O-N 3.33Å; V1810-Q1813 PolarHBondContact O-N 2.85Å; V1810-F1814 HydrophobicContact CG1-CD2 3.68Å; V1810-F1814 HydrophobicContact CG1-CE2 3.38Å; V1810-F1814 HydrophobicContact CG1-CZ 4.37Å; V1810-F1814 WeakPolarHBondContact O-CD2 3.44Å; V1810-F1814 PolarHBondContact O-N 3.43Å; V1810-L2051 HydrophobicContact CG1-CD2 4.32Å; V1810-Q2054 HydrophobicContact CG2-CB 3.98Å; V1810-I2055 HydrophobicContact CG1-CG1 4.34Å; V1810-L2058 HydrophobicContact CG2-CD1 3.91Å |
| 1811 | T | 87.3 | Confident | 85 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | C1798 L1801 F1807 H1808 D1809 F1814 L1815 | C1798-T1811 HydrophobicContact CB-CG2 3.59Å; C1798-T1811 WeakPolarHBondContact O-CG2 3.44Å; L1801-T1811 WeakPolarHBondContact CB-OG1 3.44Å; F1807-T1811 VanDerWaalsContact O-CB 3.28Å; F1807-T1811 WeakPolarHBondContact O-CB 3.23Å; F1807-T1811 PolarHBondContact O-N 3.39Å; F1807-T1811 PolarHBondContact O-OG1 3.33Å; H1808-T1811 PolarHBondContact O-N 3.48Å; D1809-T1811 VanDerWaalsContact C-N 3.32Å; D1809-T1811 PolarHBondContact O-N 3.37Å; T1811-F1814 PolarHBondContact O-N 3.41Å; T1811-L1815 HydrophobicContact CG2-CD1 4.29Å; T1811-L1815 WeakPolarHBondContact O-CG 3.47Å; T1811-L1815 PolarHBondContact O-N 2.99Å |
| 1812 | G | 85.9 | Confident | 84.6 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1808 D1809 V1810 L1815 N1816 | H1808-G1812 PolarHBondContact O-N 3.4Å; D1809-G1812 PolarHBondContact O-N 3.46Å; V1810-G1812 VanDerWaalsContact C-N 3.3Å; V1810-G1812 PolarHBondContact O-N 3.33Å; G1812-L1815 PolarHBondContact O-N 3.41Å; G1812-N1816 VanDerWaalsContact O-CG 3.28Å; G1812-N1816 PolarHBondContact O-N 2.92Å; G1812-N1816 PolarHBondContact O-ND2 3.23Å |
| 1813 | Q | 85.8 | Confident | 84.2 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 176.6 | -69.3 | -154.3 | -10.6 | 0 | 0 | 112.9 | D1809 V1810 L1815 N1816 S1817 S2050 L2051 Q2054 | D1809-Q1813 PolarHBondContact O-N 2.75Å; V1810-Q1813 PolarHBondContact O-N 2.85Å; Q1813-L1815 VanDerWaalsContact C-N 3.34Å; Q1813-L1815 PolarHBondContact O-N 3.4Å; Q1813-N1816 WeakPolarHBondContact O-CB 3.1Å; Q1813-N1816 PolarHBondContact O-N 3.15Å; Q1813-S1817 PolarHBondContact O-N 3.36Å; Q1813-S2050 PolarHBondContact NE2-OG 3.28Å; Q1813-L2051 HydrophobicContact CB-CD2 3.62Å; Q1813-L2051 HydrophobicContact CB-CG 4.21Å; Q1813-Q2054 VanDerWaalsContact NE2-CD 3.28Å |
| 1814 | F | 91.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.8 | -79.6 | -54.4 | 0 | 0 | 0 | 112 | I1794 C1798 V1810 T1811 N1816 S1817 V1818 C1900 L1903 H1904 L1907 L2051 I2055 | I1794-F1814 HydrophobicContact CG2-CB 3.96Å; C1798-F1814 WeakPolarHBondContact SG-CB 3.23Å; V1810-F1814 HydrophobicContact CG1-CD2 3.68Å; V1810-F1814 HydrophobicContact CG1-CE2 3.38Å; V1810-F1814 HydrophobicContact CG1-CZ 4.37Å; V1810-F1814 WeakPolarHBondContact O-CD2 3.44Å; V1810-F1814 PolarHBondContact O-N 3.43Å; T1811-F1814 PolarHBondContact O-N 3.41Å; F1814-N1816 VanDerWaalsContact C-N 3.32Å; F1814-N1816 PolarHBondContact O-N 3.05Å; F1814-S1817 WeakPolarHBondContact O-CB 3.43Å; F1814-S1817 PolarHBondContact O-N 3.45Å; F1814-S1817 VanDerWaalsContact O-N 3.16Å; F1814-S1817 PolarHBondContact O-OG 3.21Å; F1814-V1818 PolarHBondContact O-N 3.37Å; F1814-C1900 HydrophobicContact CE2-CB 4.24Å; F1814-C1900 WeakPolarHBondContact CZ-O 3.45Å; F1814-L1903 HydrophobicContact CD1-CB 4.28Å; F1814-L1903 HydrophobicContact CD2-CD1 4.27Å; F1814-L1903 HydrophobicContact CE1-CB 3.62Å; F1814-L1903 HydrophobicContact CE2-CB 4.23Å; F1814-L1903 HydrophobicContact CE2-CD1 4.11Å; F1814-L1903 HydrophobicContact CZ-CB 3.59Å; F1814-L1903 HydrophobicContact CZ-CD1 4.31Å; F1814-H1904 HydrophobicContact CZ-CB 4.46Å; F1814-L1907 HydrophobicContact CD1-CD1 3.46Å; F1814-L1907 VanDerWaalsContact CD1-CD1 3.46Å; F1814-L1907 HydrophobicContact CE1-CD1 3.57Å; F1814-L2051 HydrophobicContact CD1-CD1 3.91Å; F1814-L2051 HydrophobicContact CD1-CD2 4.01Å; F1814-L2051 HydrophobicContact CD2-CD2 4.26Å; F1814-L2051 HydrophobicContact CE1-CD1 3.77Å; F1814-L2051 HydrophobicContact CE1-CD2 3.89Å; F1814-L2051 HydrophobicContact CE1-CG 4.44Å; F1814-L2051 HydrophobicContact CE2-CD2 4.16Å; F1814-L2051 HydrophobicContact CG-CD2 4.18Å; F1814-L2051 HydrophobicContact CZ-CD2 3.96Å; F1814-I2055 HydrophobicContact CZ-CD1 4.1Å |
| 1815 | L | 88.9 | Confident | 83.4 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 41% | 0.414 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -35.6 | 175.5 | -74.1 | 172 | 0 | 0 | 0 | 112.8 | R1795 C1798 T1811 G1812 Q1813 S1817 V1818 | R1795-L1815 HydrophobicContact CG-CD2 4.25Å; C1798-L1815 HydrophobicContact CB-CD1 4.37Å; C1798-L1815 HydrophobicContact CB-CD2 3.88Å; C1798-L1815 HydrophobicContact CB-CG 3.93Å; T1811-L1815 HydrophobicContact CG2-CD1 4.29Å; T1811-L1815 WeakPolarHBondContact O-CG 3.47Å; T1811-L1815 PolarHBondContact O-N 2.99Å; G1812-L1815 PolarHBondContact O-N 3.41Å; Q1813-L1815 VanDerWaalsContact C-N 3.34Å; Q1813-L1815 PolarHBondContact O-N 3.4Å; L1815-S1817 VanDerWaalsContact C-N 3.33Å; L1815-V1818 WeakPolarHBondContact O-CB 3.49Å; L1815-V1818 PolarHBondContact O-N 2.85Å |
| 1816 | N | 86.6 | Confident | 82.9 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 173.4 | -70.9 | -18.3 | 0 | 0 | 0 | 111.7 | G1812 Q1813 F1814 V1818 T1819 F2047 | G1812-N1816 VanDerWaalsContact O-CG 3.28Å; G1812-N1816 PolarHBondContact O-N 2.92Å; G1812-N1816 PolarHBondContact O-ND2 3.23Å; Q1813-N1816 WeakPolarHBondContact O-CB 3.1Å; Q1813-N1816 PolarHBondContact O-N 3.15Å; F1814-N1816 VanDerWaalsContact C-N 3.32Å; F1814-N1816 PolarHBondContact O-N 3.05Å; N1816-V1818 PolarHBondContact O-N 3.17Å; N1816-T1819 PolarHBondContact O-N 3.19Å; N1816-T1819 VanDerWaalsContact O-N 3.11Å; N1816-T1819 PolarHBondContact O-OG1 3.37Å; N1816-F2047 HydrophobicContact CB-CE1 3.92Å; N1816-F2047 HydrophobicContact CB-CZ 3.96Å |
| 1817 | S | 87.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -30.1 | 177.8 | 79.3 | 0 | 0 | 0 | 0 | 113.2 | Q1813 F1814 L1815 T1819 V1820 L1821 | Q1813-S1817 PolarHBondContact O-N 3.36Å; F1814-S1817 WeakPolarHBondContact O-CB 3.43Å; F1814-S1817 PolarHBondContact O-N 3.45Å; F1814-S1817 VanDerWaalsContact O-N 3.16Å; F1814-S1817 PolarHBondContact O-OG 3.21Å; L1815-S1817 VanDerWaalsContact C-N 3.33Å; S1817-T1819 VanDerWaalsContact C-N 3.25Å; S1817-T1819 PolarHBondContact O-N 3.12Å; S1817-V1820 WeakPolarHBondContact O-CA 3.45Å; S1817-V1820 WeakPolarHBondContact O-CB 3.29Å; S1817-V1820 PolarHBondContact O-N 2.87Å; S1817-L1821 WeakPolarHBondContact O-CG 3.37Å; S1817-L1821 PolarHBondContact O-N 3.33Å |
| 1818 | V | 87.7 | Confident | 81 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -36.3 | 176.4 | 176 | 0 | 0 | 0 | 0 | 111.8 | I1794 R1795 F1814 L1815 N1816 V1820 L1821 L1822 | I1794-V1818 HydrophobicContact CB-CG2 3.99Å; I1794-V1818 HydrophobicContact CD1-CG2 4.49Å; I1794-V1818 HydrophobicContact CG2-CG2 3.63Å; R1795-V1818 HydrophobicContact CG-CG2 4.41Å; F1814-V1818 PolarHBondContact O-N 3.37Å; L1815-V1818 WeakPolarHBondContact O-CB 3.49Å; L1815-V1818 PolarHBondContact O-N 2.85Å; N1816-V1818 PolarHBondContact O-N 3.17Å; V1818-V1820 VanDerWaalsContact C-N 3.26Å; V1818-V1820 PolarHBondContact O-N 3.35Å; V1818-L1821 PolarHBondContact O-N 2.76Å; V1818-L1822 HydrophobicContact CG1-CD1 4.17Å; V1818-L1822 HydrophobicContact CG1-CG 4.41Å; V1818-L1822 WeakPolarHBondContact O-CG 3.47Å; V1818-L1822 PolarHBondContact O-N 2.93Å |
| 1819 | T | 84.3 | Confident | 80 | Confident | 86 Ų | 86 | 40.2 Ų | 40.2 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.2 | -30.2 | 177 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | N1816 S1817 K1823 | N1816-T1819 PolarHBondContact O-N 3.19Å; N1816-T1819 VanDerWaalsContact O-N 3.11Å; N1816-T1819 PolarHBondContact O-OG1 3.37Å; S1817-T1819 VanDerWaalsContact C-N 3.25Å; S1817-T1819 PolarHBondContact O-N 3.12Å; T1819-K1823 WeakPolarHBondContact O-CG 3.21Å; T1819-K1823 PolarHBondContact O-N 2.9Å |
| 1820 | V | 83.4 | Confident | 79.1 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76.3 | -42.6 | 174.5 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | S1817 V1818 L1822 K1823 I1824 A2040 T2043 L2044 F2047 | S1817-V1820 WeakPolarHBondContact O-CA 3.45Å; S1817-V1820 WeakPolarHBondContact O-CB 3.29Å; S1817-V1820 PolarHBondContact O-N 2.87Å; V1818-V1820 VanDerWaalsContact C-N 3.26Å; V1818-V1820 PolarHBondContact O-N 3.35Å; V1820-L1822 VanDerWaalsContact C-N 3.28Å; V1820-L1822 PolarHBondContact O-N 2.92Å; V1820-K1823 WeakPolarHBondContact O-CA 3.33Å; V1820-K1823 WeakPolarHBondContact O-CB 3.42Å; V1820-K1823 PolarHBondContact O-N 3.41Å; V1820-I1824 PolarHBondContact O-N 3.36Å; V1820-A2040 HydrophobicContact CG1-CB 4.27Å; V1820-T2043 WeakPolarHBondContact CG1-OG1 3.39Å; V1820-L2044 HydrophobicContact CB-CD1 4.07Å; V1820-L2044 HydrophobicContact CG1-CB 4.36Å; V1820-L2044 HydrophobicContact CG1-CD1 3.68Å; V1820-F2047 HydrophobicContact CG2-CD2 3.98Å; V1820-F2047 HydrophobicContact CG2-CE2 3.61Å |
| 1821 | L | 83.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -39.4 | 175.4 | -70.8 | 174.4 | 0 | 0 | 0 | 112.5 | V1790 I1794 S1817 V1818 K1823 I1824 A1825 L1907 I1910 L2044 | V1790-L1821 HydrophobicContact CG1-CD1 3.81Å; I1794-L1821 HydrophobicContact CD1-CD1 3.54Å; S1817-L1821 WeakPolarHBondContact O-CG 3.37Å; S1817-L1821 PolarHBondContact O-N 3.33Å; V1818-L1821 PolarHBondContact O-N 2.76Å; L1821-K1823 VanDerWaalsContact C-N 3.31Å; L1821-K1823 PolarHBondContact O-N 3Å; L1821-I1824 PolarHBondContact O-N 3.39Å; L1821-A1825 PolarHBondContact O-N 2.95Å; L1821-L1907 HydrophobicContact CD1-CD2 4.12Å; L1821-L1907 HydrophobicContact CD2-CD2 4.3Å; L1821-L1907 HydrophobicContact CG-CD2 4.32Å; L1821-I1910 HydrophobicContact CD2-CB 4.31Å; L1821-I1910 HydrophobicContact CD2-CD1 3.82Å; L1821-I1910 HydrophobicContact CD2-CG2 3.66Å; L1821-L2044 HydrophobicContact CD2-CD1 3.91Å; L1821-L2044 HydrophobicContact CG-CD1 4.31Å |
| 1822 | L | 80 | Confident | 76.7 | Confident | 56 Ų | 56 | 35.5 Ų | 35.5 | 29% | 0.293 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.5 | -31.3 | 175.5 | -69.1 | 172.6 | 0 | 0 | 0 | 112.3 | V1818 V1820 A1825 | V1818-L1822 HydrophobicContact CG1-CD1 4.17Å; V1818-L1822 HydrophobicContact CG1-CG 4.41Å; V1818-L1822 WeakPolarHBondContact O-CG 3.47Å; V1818-L1822 PolarHBondContact O-N 2.93Å; V1820-L1822 VanDerWaalsContact C-N 3.28Å; V1820-L1822 PolarHBondContact O-N 2.92Å; L1822-A1825 WeakPolarHBondContact O-CB 3.15Å; L1822-A1825 PolarHBondContact O-N 3.46Å |
| 1823 | K | 76.7 | Confident | 75.6 | Confident | 127 Ų | 127 | 34.3 Ų | 34.3 | 55% | 0.552 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -68.7 | -33.5 | 171 | -70.1 | 177.6 | 179.3 | -175.6 | 0 | 112.4 | T1819 V1820 L1821 A1825 D1826 | T1819-K1823 WeakPolarHBondContact O-CG 3.21Å; T1819-K1823 PolarHBondContact O-N 2.9Å; V1820-K1823 WeakPolarHBondContact O-CA 3.33Å; V1820-K1823 WeakPolarHBondContact O-CB 3.42Å; V1820-K1823 PolarHBondContact O-N 3.41Å; L1821-K1823 VanDerWaalsContact C-N 3.31Å; L1821-K1823 PolarHBondContact O-N 3Å; K1823-A1825 VanDerWaalsContact C-N 3.32Å; K1823-D1826 PolarHBondContact O-N 2.81Å |
| 1824 | I | 74 | Confident | 74.2 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.8 | -34.2 | 174.5 | -64.2 | 172.3 | 0 | 0 | 0 | 110.8 | V1820 L1821 D1826 F1827 A2040 L2044 | V1820-I1824 PolarHBondContact O-N 3.36Å; L1821-I1824 PolarHBondContact O-N 3.39Å; I1824-D1826 PolarHBondContact O-N 3.06Å; I1824-F1827 PolarHBondContact O-N 3.49Å; I1824-A2040 HydrophobicContact CD1-CB 4.35Å; I1824-A2040 HydrophobicContact CG1-CB 3.65Å; I1824-L2044 HydrophobicContact CD1-CD1 3.76Å |
| 1825 | A | 69.6 | Low | 72.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -24.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1784 L1821 L1822 K1823 F1827 | R1784-A1825 HydrophobicContact CG-CB 4.34Å; L1821-A1825 PolarHBondContact O-N 2.95Å; L1822-A1825 WeakPolarHBondContact O-CB 3.15Å; L1822-A1825 PolarHBondContact O-N 3.46Å; K1823-A1825 VanDerWaalsContact C-N 3.32Å; A1825-F1827 PolarHBondContact O-N 3.2Å; A1825-F1827 VanDerWaalsContact O-N 3.15Å |
| 1826 | D | 65.7 | Low | 70.1 | Confident | 119 Ų | 119 | 39.7 Ų | 39.7 | 64% | 0.636 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 40.3 | 173 | -69.6 | -25.2 | 0 | 0 | 0 | 111.8 | K1823 I1824 | K1823-D1826 PolarHBondContact O-N 2.81Å; I1824-D1826 PolarHBondContact O-N 3.06Å |
| 1827 | F | 65.7 | Low | 68.1 | Low | 30 Ų | 30 | 39.5 Ų | 39.5 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 140.6 | -178.8 | -152.7 | -92.1 | 0 | 0 | 0 | 111.7 | I1783 I1824 A1825 I1917 A2037 | I1783-F1827 HydrophobicContact CG2-CB 4.39Å; I1824-F1827 PolarHBondContact O-N 3.49Å; A1825-F1827 PolarHBondContact O-N 3.2Å; A1825-F1827 VanDerWaalsContact O-N 3.15Å; F1827-I1917 HydrophobicContact CD1-CG2 4.4Å; F1827-I1917 HydrophobicContact CE1-CG2 3.46Å; F1827-I1917 VanDerWaalsContact CE1-CG2 3.46Å; F1827-I1917 HydrophobicContact CE2-CB 4.4Å; F1827-I1917 HydrophobicContact CE2-CG2 3.85Å; F1827-I1917 HydrophobicContact CZ-CB 4.08Å; F1827-I1917 HydrophobicContact CZ-CG2 3.14Å; F1827-A2037 HydrophobicContact CD2-CB 4.35Å; F1827-A2037 HydrophobicContact CE2-CB 3.77Å; F1827-A2037 HydrophobicContact CZ-CB 4.36Å |
| 1828 | P | 62.5 | Low | 66.2 | Low | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.045 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 142.2 | 179.3 | 23.8 | -34 | 0 | 0 | 0 | 112.6 | L1830 I2030 I2031 | P1828-L1830 PolarHBondContact O-N 3.5Å; P1828-I2030 HydrophobicContact CB-CG2 4.19Å; P1828-I2031 WeakPolarHBondContact CA-O 3.47Å |
| 1829 | F | 64.3 | Low | 64.3 | Low | 36 Ų | 36 | 49.8 Ų | 49.8 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 117.2 | 175.6 | 178.5 | -91.5 | 0 | 0 | 0 | 109.5 | L1777 F1831 L2014 I2030 I2031 | L1777-F1829 HydrophobicContact CD1-CE2 3.65Å; L1777-F1829 HydrophobicContact CD1-CZ 4Å; F1829-F1831 HydrophobicContact CE1-CB 4.05Å; F1829-L2014 HydrophobicContact CZ-CD2 4.35Å; F1829-L2014 HydrophobicContact CZ-CG 4.4Å; F1829-I2030 WeakPolarHBondContact O-CA 3.42Å; F1829-I2031 HydrophobicContact CB-CB 4.24Å; F1829-I2031 HydrophobicContact CD1-CD1 3.65Å; F1829-I2031 HydrophobicContact CD1-CG1 4.23Å; F1829-I2031 HydrophobicContact CE1-CD1 4.26Å; F1829-I2031 HydrophobicContact CG-CD1 4.44Å; F1829-I2031 PolarHBondContact N-O 3.12Å; F1829-I2031 PolarHBondContact O-N 2.64Å |
| 1830 | L | 63.1 | Low | 62.9 | Low | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.1 | 178.9 | 177.7 | 68.6 | 0 | 0 | 0 | 109.8 | E1776 P1828 V1924 I2030 | E1776-L1830 WeakPolarHBondContact OE1-CD2 3.24Å; P1828-L1830 PolarHBondContact O-N 3.5Å; L1830-V1924 HydrophobicContact CD1-CG1 4.27Å; L1830-I2030 HydrophobicContact CD1-CD1 4.03Å; L1830-I2030 HydrophobicContact CD1-CG1 3.41Å; L1830-I2030 VanDerWaalsContact CD1-CG1 3.41Å |
| 1831 | F | 63.4 | Low | 62 | Low | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.3 | 175.4 | -174 | -82 | 0 | 0 | 0 | 111.4 | R1773 F1829 L2014 C2017 F2027 H2028 A2029 | R1773-F1831 VanDerWaalsContact CZ-CE2 3.41Å; R1773-F1831 VanDerWaalsContact NE-CE2 3.29Å; F1829-F1831 HydrophobicContact CE1-CB 4.05Å; F1831-L2014 HydrophobicContact CD2-CD2 4.31Å; F1831-L2014 HydrophobicContact CE2-CD2 4.13Å; F1831-C2017 HydrophobicContact CD1-CB 3.87Å; F1831-C2017 HydrophobicContact CD2-CB 3.72Å; F1831-C2017 HydrophobicContact CE1-CB 3.56Å; F1831-C2017 HydrophobicContact CE2-CB 3.32Å; F1831-C2017 HydrophobicContact CG-CB 3.96Å; F1831-C2017 HydrophobicContact CZ-CB 3.24Å; F1831-F2027 AromaticContact CD1-CE2 3.75Å; F1831-F2027 HydrophobicContact CD1-CE2 3.75Å; F1831-F2027 AromaticContact CD1-CZ 3.81Å; F1831-F2027 HydrophobicContact CD1-CZ 3.81Å; F1831-F2027 HydrophobicContact CE1-CE1 4.22Å; F1831-F2027 AromaticContact CE1-CE2 3.93Å; F1831-F2027 HydrophobicContact CE1-CE2 3.93Å; F1831-F2027 AromaticContact CE1-CZ 3.47Å; F1831-F2027 HydrophobicContact CE1-CZ 3.47Å; F1831-F2027 VanDerWaalsContact CE1-CZ 3.47Å; F1831-F2027 HydrophobicContact CZ-CZ 4.48Å; F1831-H2028 WeakPolarHBondContact O-CA 3.42Å; F1831-A2029 HydrophobicContact CB-CB 4.41Å; F1831-A2029 PolarHBondContact N-O 3.33Å; F1831-A2029 PolarHBondContact O-N 3.46Å |
| 1832 | L | 62.1 | Low | 61.2 | Low | 18 Ų | 18 | 58.1 Ų | 58.1 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.9 | 175.1 | -71.5 | 166.8 | 0 | 0 | 0 | 111.1 | E1776 V1924 H2028 | E1776-L1832 WeakPolarHBondContact OE2-CD1 3.32Å; L1832-V1924 HydrophobicContact CD1-CB 4.5Å; L1832-V1924 HydrophobicContact CD1-CG1 3.77Å; L1832-V1924 HydrophobicContact CD1-CG2 3.83Å; L1832-V1924 HydrophobicContact CD2-CG1 3.52Å; L1832-V1924 HydrophobicContact CG-CG1 4.05Å; L1832-H2028 HydrophobicContact CD2-CB 3.73Å |
| 1833 | S | 62 | Low | 60.5 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | trans | -70.9 | 145.4 | 168.5 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | V1835 Q2026 F2027 | S1833-V1835 PolarHBondContact O-N 2.91Å; S1833-V1835 VanDerWaalsContact O-N 3.08Å; S1833-Q2026 VanDerWaalsContact OG-CA 3.31Å; S1833-Q2026 WeakPolarHBondContact OG-CA 3.36Å; S1833-F2027 PolarHBondContact N-O 3.14Å; S1833-F2027 VanDerWaalsContact N-O 3.16Å; S1833-F2027 PolarHBondContact OG-N 3.42Å; S1833-F2027 PolarHBondContact OG-O 3.12Å; S1833-F2027 VanDerWaalsContact OG-O 3.1Å | ||
| 1834 | D | 57.6 | Low | 60.1 | Low | 76 Ų | 76 | 54.5 Ų | 54.5 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | trans | -53.6 | 114.1 | -174.5 | -79.5 | -29.7 | 0 | 0 | 0 | 112.3 | S1771 S1836 | S1771-D1834 PolarHBondContact OG-OD1 3.07Å; S1771-D1834 VanDerWaalsContact OG-OD1 3.14Å; D1834-S1836 PolarHBondContact O-N 3.42Å | ||
| 1835 | V | 47.8 | Very low | 60.1 | Low | 46 Ų | 46 | 61.9 Ų | 61.9 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | trans | -75.6 | 20.5 | 171.6 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | S1833 N1837 N1840 | S1833-V1835 PolarHBondContact O-N 2.91Å; S1833-V1835 VanDerWaalsContact O-N 3.08Å; V1835-N1837 PolarHBondContact O-N 3.05Å; V1835-N1837 VanDerWaalsContact O-N 3.08Å; V1835-N1840 HydrophobicContact CG1-CB 4.16Å | ||
| 1836 | S | 45.5 | Very low | 60.4 | Low | 99 Ų | 99 | 69.1 Ų | 69.1 | 69% | 0.692 | 36% | 0.355 | S | S | * | . | trans | -76.1 | 8.7 | -174.9 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | D1834 | D1834-S1836 PolarHBondContact O-N 3.42Š| ||
| 1837 | N | 43.8 | Very low | 60.7 | Low | 86 Ų | 86 | 64.1 Ų | 64.1 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -77.1 | 129.2 | 163.2 | -71.9 | -21.8 | 0 | 0 | 0 | 108.8 | V1835 E1839 | V1835-N1837 PolarHBondContact O-N 3.05Å; V1835-N1837 VanDerWaalsContact O-N 3.08Å; N1837-E1839 PolarHBondContact O-N 3.32Å |
| 1838 | A | 46.7 | Very low | 61.4 | Low | 66 Ų | 66 | 64.2 Ų | 64.2 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -52.7 | -3.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1839 | E | 48.9 | Very low | 62.3 | Low | 153 Ų | 153 | 69.9 Ų | 69.9 | 72% | 0.715 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -79.7 | -18.8 | -172.2 | -65 | -174.8 | 150.4 | 0 | 0 | 114.4 | N1837 | N1837-E1839 PolarHBondContact O-N 3.32Š|
| 1840 | N | 54.8 | Low | 63 | Low | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -131.3 | 52 | -175.2 | -91.1 | -21.4 | 0 | 0 | 0 | 114.9 | V1835 D1842 L1843 Y1844 | V1835-N1840 HydrophobicContact CG1-CB 4.16Å; N1840-D1842 PolarHBondContact O-N 2.91Å; N1840-D1842 VanDerWaalsContact O-N 3.16Å; N1840-L1843 HydrophobicContact CB-CB 4.41Å; N1840-L1843 HydrophobicContact CB-CD1 3.97Å; N1840-L1843 HydrophobicContact CB-CG 4.4Å; N1840-L1843 PolarHBondContact O-N 3.25Å; N1840-Y1844 PolarHBondContact O-N 3.19Å |
| 1841 | V | 65.3 | Low | 63.9 | Low | 73 Ų | 73 | 69.3 Ų | 69.3 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53.4 | -33.6 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 113.2 | Y1844 R1845 | V1841-Y1844 PolarHBondContact O-N 3.06Å; V1841-R1845 HydrophobicContact CG1-CG 4.48Å; V1841-R1845 WeakPolarHBondContact O-CG 3.47Å; V1841-R1845 PolarHBondContact O-N 2.86Å |
| 1842 | D | 66.4 | Low | 64.8 | Low | 117 Ų | 117 | 73.3 Ų | 73.3 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -72.2 | -34.8 | -177.6 | -68.1 | -32.3 | 0 | 0 | 0 | 113 | N1840 R1845 R1846 | N1840-D1842 PolarHBondContact O-N 2.91Å; N1840-D1842 VanDerWaalsContact O-N 3.16Å; D1842-R1845 PolarHBondContact O-N 3.36Å; D1842-R1845 IonicContact OD1-NH1 2.71Å; D1842-R1846 WeakPolarHBondContact O-CB 3.31Å; D1842-R1846 PolarHBondContact O-N 2.9Å |
| 1843 | L | 63.8 | Low | 65.9 | Low | 47 Ų | 47 | 75.1 Ų | 75.1 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 173.1 | -73.9 | 175 | 0 | 0 | 0 | 110.9 | N1840 R1845 R1846 H1847 F1923 S1927 | N1840-L1843 HydrophobicContact CB-CB 4.41Å; N1840-L1843 HydrophobicContact CB-CD1 3.97Å; N1840-L1843 HydrophobicContact CB-CG 4.4Å; N1840-L1843 PolarHBondContact O-N 3.25Å; L1843-R1845 PolarHBondContact O-N 2.94Å; L1843-R1846 PolarHBondContact O-N 3.26Å; L1843-H1847 WeakPolarHBondContact O-CB 3.43Å; L1843-H1847 PolarHBondContact O-N 3.25Å; L1843-F1923 HydrophobicContact CD2-CE1 4.44Å; L1843-F1923 HydrophobicContact CD2-CE2 4.32Å; L1843-F1923 HydrophobicContact CD2-CZ 3.69Å; L1843-S1927 VanDerWaalsContact CD2-CB 3.4Å |
| 1844 | Y | 69.3 | Low | 67 | Low | 60 Ų | 60 | 75.1 Ų | 75.1 | 24% | 0.235 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 175.9 | -179.8 | -84.3 | 0 | 0 | 0 | 111.5 | I1772 N1840 V1841 R1846 H1847 K1848 | I1772-Y1844 HydrophobicContact CD1-CD2 3.22Å; I1772-Y1844 HydrophobicContact CD1-CE2 3.24Å; I1772-Y1844 HydrophobicContact CD1-CG 3.88Å; I1772-Y1844 HydrophobicContact CG1-CD2 4.02Å; I1772-Y1844 HydrophobicContact CG1-CE2 3.54Å; N1840-Y1844 PolarHBondContact O-N 3.19Å; V1841-Y1844 PolarHBondContact O-N 3.06Å; Y1844-R1846 PolarHBondContact O-N 3.33Å; Y1844-H1847 PolarHBondContact O-N 3.34Å; Y1844-K1848 HydrophobicContact CE1-CD 4.25Å; Y1844-K1848 VanDerWaalsContact O-CB 3.31Å; Y1844-K1848 WeakPolarHBondContact O-CB 3.44Å; Y1844-K1848 PolarHBondContact O-N 2.88Å |
| 1845 | R | 74.7 | Confident | 68.3 | Low | 160 Ų | 160 | 71.8 Ų | 71.8 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 178.7 | -77 | 178 | -177.4 | 161.8 | -0.2 | 112.3 | V1841 D1842 L1843 K1848 F1849 | V1841-R1845 HydrophobicContact CG1-CG 4.48Å; V1841-R1845 WeakPolarHBondContact O-CG 3.47Å; V1841-R1845 PolarHBondContact O-N 2.86Å; D1842-R1845 PolarHBondContact O-N 3.36Å; D1842-R1845 IonicContact OD1-NH1 2.71Å; L1843-R1845 PolarHBondContact O-N 2.94Å; R1845-K1848 PolarHBondContact O-N 3.46Å; R1845-F1849 PolarHBondContact O-N 3.13Å |
| 1846 | R | 74.1 | Confident | 70.2 | Confident | 154 Ų | 154 | 71 Ų | 71 | 58% | 0.581 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.9 | -36.9 | -178.3 | -160.5 | 153 | -170.1 | 128.2 | -1 | 112.1 | D1842 L1843 Y1844 F1849 Y1850 F1923 | D1842-R1846 WeakPolarHBondContact O-CB 3.31Å; D1842-R1846 PolarHBondContact O-N 2.9Å; L1843-R1846 PolarHBondContact O-N 3.26Å; Y1844-R1846 PolarHBondContact O-N 3.33Å; R1846-F1849 WeakPolarHBondContact O-CB 3.37Å; R1846-F1849 PolarHBondContact O-N 3.32Å; R1846-Y1850 HydrophobicContact CG-CE2 4.07Å; R1846-Y1850 WeakPolarHBondContact O-CD2 3.38Å; R1846-Y1850 PolarHBondContact O-N 3.38Å; R1846-F1923 HydrophobicContact CB-CE1 4.26Å; R1846-F1923 HydrophobicContact CB-CE2 4.16Å; R1846-F1923 HydrophobicContact CB-CZ 3.66Å; R1846-F1923 HydrophobicContact CG-CE2 3.85Å; R1846-F1923 HydrophobicContact CG-CZ 3.85Å |
| 1847 | H | 72.8 | Confident | 72.2 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 6% | 0.06 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 171.2 | -160.1 | 124.1 | 0 | 0 | 0 | 111.4 | I1772 E1776 L1843 Y1844 F1849 Y1850 L1851 F1923 | I1772-H1847 HydrophobicContact CD1-CB 4.14Å; E1776-H1847 IonicContact OE1-CE1 3.52Å; E1776-H1847 PolarHBondContact OE1-CE1 3.32Å; E1776-H1847 IonicContact OE1-NE2 3.51Å; E1776-H1847 PolarHBondContact OE1-NE2 2.83Å; E1776-H1847 VanDerWaalsContact OE1-NE2 3.16Å; L1843-H1847 WeakPolarHBondContact O-CB 3.43Å; L1843-H1847 PolarHBondContact O-N 3.25Å; Y1844-H1847 PolarHBondContact O-N 3.34Å; H1847-F1849 VanDerWaalsContact C-N 3.27Å; H1847-F1849 PolarHBondContact O-N 3.39Å; H1847-Y1850 PolarHBondContact O-N 2.74Å; H1847-L1851 PolarHBondContact O-N 2.66Å; H1847-F1923 HydrophobicContact CB-CE1 4.21Å |
| 1848 | K | 80.3 | Confident | 74.3 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 173.6 | -178.8 | 176.8 | -177.6 | 177.4 | 0 | 111.9 | I1765 L1766 N1768 Y1844 R1845 L1851 M1852 | I1765-K1848 HydrophobicContact CG2-CD 4.25Å; I1765-K1848 HydrophobicContact CG2-CG 3.96Å; I1765-K1848 VanDerWaalsContact O-CE 3.25Å; I1765-K1848 WeakPolarHBondContact O-CE 3.41Å; I1765-K1848 PolarHBondContact O-NZ 3.25Å; I1765-K1848 VanDerWaalsContact O-NZ 3.07Å; L1766-K1848 PolarHBondContact O-NZ 3.01Å; N1768-K1848 PolarHBondContact OD1-NZ 3.37Å; Y1844-K1848 HydrophobicContact CE1-CD 4.25Å; Y1844-K1848 VanDerWaalsContact O-CB 3.31Å; Y1844-K1848 WeakPolarHBondContact O-CB 3.44Å; Y1844-K1848 PolarHBondContact O-N 2.88Å; R1845-K1848 PolarHBondContact O-N 3.46Å; K1848-L1851 PolarHBondContact O-N 3.11Å; K1848-M1852 WeakPolarHBondContact O-CG 3.38Å; K1848-M1852 PolarHBondContact O-N 3.45Å |
| 1849 | F | 82.4 | Confident | 76.2 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 55% | 0.553 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.1 | -46 | 176.5 | -179.9 | -90.8 | 0 | 0 | 0 | 112.2 | R1845 R1846 H1847 L1851 M1852 E1853 | R1845-F1849 PolarHBondContact O-N 3.13Å; R1846-F1849 WeakPolarHBondContact O-CB 3.37Å; R1846-F1849 PolarHBondContact O-N 3.32Å; H1847-F1849 VanDerWaalsContact C-N 3.27Å; H1847-F1849 PolarHBondContact O-N 3.39Å; F1849-L1851 VanDerWaalsContact C-N 3.34Å; F1849-L1851 PolarHBondContact O-N 2.91Å; F1849-M1852 WeakPolarHBondContact O-CB 3.38Å; F1849-M1852 PolarHBondContact O-N 2.92Å; F1849-M1852 VanDerWaalsContact O-N 3.15Å; F1849-E1853 PolarHBondContact O-N 3.09Å |
| 1850 | Y | 79.3 | Confident | 78.2 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 176.8 | -69.4 | -61.8 | 0 | 0 | 0 | 113 | R1846 H1847 M1852 E1853 L1854 K1919 V1920 F1923 | R1846-Y1850 HydrophobicContact CG-CE2 4.07Å; R1846-Y1850 WeakPolarHBondContact O-CD2 3.38Å; R1846-Y1850 PolarHBondContact O-N 3.38Å; H1847-Y1850 PolarHBondContact O-N 2.74Å; Y1850-M1852 VanDerWaalsContact C-N 3.29Å; Y1850-M1852 PolarHBondContact O-N 3.24Å; Y1850-E1853 PolarHBondContact O-N 3.1Å; Y1850-L1854 VanDerWaalsContact O-CB 3.25Å; Y1850-L1854 WeakPolarHBondContact O-CB 3.4Å; Y1850-L1854 PolarHBondContact O-N 3.39Å; Y1850-K1919 HydrophobicContact CD1-CB 4.42Å; Y1850-K1919 HydrophobicContact CE1-CB 4.14Å; Y1850-V1920 HydrophobicContact CG-CG2 4.2Å; Y1850-F1923 HydrophobicContact CD2-CB 4.36Å; Y1850-F1923 HydrophobicContact CD2-CD1 4.1Å; Y1850-F1923 HydrophobicContact CD2-CG 4.18Å; Y1850-F1923 HydrophobicContact CE2-CB 3.8Å; Y1850-F1923 AromaticContact CE2-CD1 3.98Å; Y1850-F1923 HydrophobicContact CE2-CD1 3.98Å; Y1850-F1923 AromaticContact CE2-CD2 3.98Å; Y1850-F1923 HydrophobicContact CE2-CD2 3.98Å; Y1850-F1923 AromaticContact CE2-CG 3.63Å; Y1850-F1923 HydrophobicContact CE2-CG 3.63Å |
| 1851 | L | 80.7 | Confident | 79.9 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -32.7 | 173.1 | -70.9 | 172.2 | 0 | 0 | 0 | 112.2 | W1758 I1765 I1772 A1775 H1847 K1848 F1849 L1854 N1855 | W1758-L1851 HydrophobicContact CH2-CD2 4.03Å; I1765-L1851 HydrophobicContact CD1-CD1 4.03Å; I1772-L1851 HydrophobicContact CG1-CD1 4.49Å; I1772-L1851 HydrophobicContact CG2-CD1 4.21Å; A1775-L1851 HydrophobicContact CB-CD1 4.46Å; H1847-L1851 PolarHBondContact O-N 2.66Å; K1848-L1851 PolarHBondContact O-N 3.11Å; F1849-L1851 VanDerWaalsContact C-N 3.34Å; F1849-L1851 PolarHBondContact O-N 2.91Å; L1851-L1854 HydrophobicContact CD2-CD2 4.28Å; L1851-N1855 WeakPolarHBondContact O-CB 2.89Å; L1851-N1855 PolarHBondContact O-N 3.43Å |
| 1852 | M | 82.5 | Confident | 81 | Confident | 88 Ų | 88 | 55 Ų | 55 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70 | -44.2 | 173.9 | -69.8 | 179.3 | 61.7 | 0 | 0 | 112.3 | F1762 L1766 K1848 F1849 Y1850 L1854 N1855 G1856 | F1762-M1852 HydrophobicContact CE2-CG 4.03Å; F1762-M1852 HydrophobicContact CZ-CB 4.4Å; F1762-M1852 HydrophobicContact CZ-CG 3.86Å; L1766-M1852 HydrophobicContact CD1-CE 4.47Å; L1766-M1852 HydrophobicContact CD1-SD 4.35Å; K1848-M1852 WeakPolarHBondContact O-CG 3.38Å; K1848-M1852 PolarHBondContact O-N 3.45Å; F1849-M1852 WeakPolarHBondContact O-CB 3.38Å; F1849-M1852 PolarHBondContact O-N 2.92Å; F1849-M1852 VanDerWaalsContact O-N 3.15Å; Y1850-M1852 VanDerWaalsContact C-N 3.29Å; Y1850-M1852 PolarHBondContact O-N 3.24Å; M1852-L1854 VanDerWaalsContact C-N 3.28Å; M1852-L1854 PolarHBondContact O-N 2.9Å; M1852-N1855 PolarHBondContact O-N 3.11Å; M1852-G1856 PolarHBondContact O-N 3.39Å |
| 1853 | E | 85.6 | Confident | 82 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 173.6 | -173.8 | -178.8 | 168.7 | 0 | 0 | 110.4 | F1849 Y1850 G1856 H1857 K1919 | F1849-E1853 PolarHBondContact O-N 3.09Å; Y1850-E1853 PolarHBondContact O-N 3.1Å; E1853-G1856 PolarHBondContact O-N 3.15Å; E1853-H1857 PolarHBondContact O-CD2 3.21Å; E1853-H1857 VanDerWaalsContact O-CD2 3.32Å; E1853-H1857 PolarHBondContact O-N 3.15Å; E1853-H1857 VanDerWaalsContact O-N 3.13Å; E1853-K1919 IonicContact OE1-NZ 2.89Å; E1853-K1919 PolarHBondContact OE1-NZ 2.95Å |
| 1854 | L | 84.3 | Confident | 83.3 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 176.8 | -172.4 | 67.1 | 0 | 0 | 0 | 112.4 | W1758 F1779 Y1850 L1851 M1852 H1857 L1858 I1913 C1916 I1917 | W1758-L1854 HydrophobicContact CH2-CD2 4.45Å; F1779-L1854 HydrophobicContact CD1-CD2 3.93Å; F1779-L1854 HydrophobicContact CD2-CD2 3.62Å; F1779-L1854 HydrophobicContact CD2-CG 4.19Å; F1779-L1854 HydrophobicContact CE1-CD1 4.19Å; F1779-L1854 HydrophobicContact CE1-CD2 3.78Å; F1779-L1854 HydrophobicContact CE1-CG 4.37Å; F1779-L1854 HydrophobicContact CE2-CD1 3.93Å; F1779-L1854 HydrophobicContact CE2-CD2 3.42Å; F1779-L1854 VanDerWaalsContact CE2-CD2 3.42Å; F1779-L1854 HydrophobicContact CE2-CG 3.54Å; F1779-L1854 HydrophobicContact CG-CD2 3.88Å; F1779-L1854 HydrophobicContact CZ-CD1 3.53Å; F1779-L1854 HydrophobicContact CZ-CD2 3.53Å; F1779-L1854 HydrophobicContact CZ-CG 3.67Å; Y1850-L1854 VanDerWaalsContact O-CB 3.25Å; Y1850-L1854 WeakPolarHBondContact O-CB 3.4Å; Y1850-L1854 PolarHBondContact O-N 3.39Å; L1851-L1854 HydrophobicContact CD2-CD2 4.28Å; M1852-L1854 VanDerWaalsContact C-N 3.28Å; M1852-L1854 PolarHBondContact O-N 2.9Å; L1854-H1857 PolarHBondContact O-N 2.99Å; L1854-L1858 WeakPolarHBondContact O-CB 3.18Å; L1854-L1858 PolarHBondContact O-N 3.24Å; L1854-I1913 HydrophobicContact CD1-CG2 4.01Å; L1854-C1916 HydrophobicContact CD1-CB 3.96Å; L1854-I1917 HydrophobicContact CD1-CG1 3.71Å |
| 1855 | N | 85.9 | Confident | 84.3 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.8 | -170 | 66.1 | 0 | 0 | 0 | 111.7 | W1758 F1762 L1851 M1852 H1857 L1858 E1859 | W1758-N1855 HydrophobicContact CZ2-CB 4.25Å; W1758-N1855 PolarHBondContact NE1-OD1 2.87Å; F1762-N1855 HydrophobicContact CD2-CB 4.1Å; F1762-N1855 HydrophobicContact CE1-CB 4.26Å; F1762-N1855 HydrophobicContact CE2-CB 3.65Å; F1762-N1855 HydrophobicContact CZ-CB 3.73Å; L1851-N1855 WeakPolarHBondContact O-CB 2.89Å; L1851-N1855 PolarHBondContact O-N 3.43Å; M1852-N1855 PolarHBondContact O-N 3.11Å; N1855-H1857 VanDerWaalsContact C-N 3.3Å; N1855-H1857 PolarHBondContact O-N 3Å; N1855-L1858 WeakPolarHBondContact O-CB 3.01Å; N1855-L1858 PolarHBondContact O-N 3.44Å; N1855-L1858 VanDerWaalsContact O-N 3.08Å; N1855-E1859 PolarHBondContact ND2-OE1 3.39Å; N1855-E1859 PolarHBondContact O-N 2.81Å |
| 1856 | G | 86.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1852 E1853 L1858 T1860 | M1852-G1856 PolarHBondContact O-N 3.39Å; E1853-G1856 PolarHBondContact O-N 3.15Å; G1856-L1858 VanDerWaalsContact C-N 3.35Å; G1856-T1860 PolarHBondContact O-N 3.27Å; G1856-T1860 PolarHBondContact O-OG1 3.13Å |
| 1857 | H | 88.4 | Confident | 85.8 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -34.6 | 173.6 | -70.9 | -40.9 | 0 | 0 | 0 | 113.2 | E1853 L1854 N1855 Y1861 Q1909 I1913 | E1853-H1857 PolarHBondContact O-CD2 3.21Å; E1853-H1857 VanDerWaalsContact O-CD2 3.32Å; E1853-H1857 PolarHBondContact O-N 3.15Å; E1853-H1857 VanDerWaalsContact O-N 3.13Å; L1854-H1857 PolarHBondContact O-N 2.99Å; N1855-H1857 VanDerWaalsContact C-N 3.3Å; N1855-H1857 PolarHBondContact O-N 3Å; H1857-Y1861 WeakPolarHBondContact O-CB 3.49Å; H1857-Y1861 PolarHBondContact O-N 3.4Å; H1857-Y1861 VanDerWaalsContact O-N 3.1Å; H1857-Q1909 PolarHBondContact O-NE2 2.66Å; H1857-I1913 HydrophobicContact CB-CG1 3.72Å |
| 1858 | L | 86.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.4 | -42.4 | 178.2 | -171.8 | 80.9 | 0 | 0 | 0 | 112.3 | L1782 T1786 L1854 N1855 G1856 Y1861 F1862 I1913 | L1782-L1858 HydrophobicContact CD2-CD1 4.14Å; L1782-L1858 HydrophobicContact CD2-CD2 3.42Å; L1782-L1858 VanDerWaalsContact CD2-CD2 3.42Å; L1782-L1858 HydrophobicContact CD2-CG 4.42Å; L1782-L1858 HydrophobicContact CG-CD1 4.38Å; L1782-L1858 HydrophobicContact CG-CD2 4.4Å; T1786-L1858 HydrophobicContact CG2-CD1 4.43Å; L1854-L1858 WeakPolarHBondContact O-CB 3.18Å; L1854-L1858 PolarHBondContact O-N 3.24Å; N1855-L1858 WeakPolarHBondContact O-CB 3.01Å; N1855-L1858 PolarHBondContact O-N 3.44Å; N1855-L1858 VanDerWaalsContact O-N 3.08Å; G1856-L1858 VanDerWaalsContact C-N 3.35Å; L1858-Y1861 HydrophobicContact CD1-CD1 4.47Å; L1858-Y1861 WeakPolarHBondContact O-CA 3.5Å; L1858-Y1861 VanDerWaalsContact O-CB 3.27Å; L1858-Y1861 WeakPolarHBondContact O-CB 3.28Å; L1858-Y1861 PolarHBondContact O-N 3.23Å; L1858-Y1861 VanDerWaalsContact O-N 3.1Å; L1858-F1862 HydrophobicContact CD1-CE2 4.22Å; L1858-F1862 HydrophobicContact CD1-CZ 4.01Å; L1858-F1862 HydrophobicContact CD2-CE2 3.57Å; L1858-F1862 HydrophobicContact CD2-CZ 3.92Å; L1858-F1862 HydrophobicContact CG-CD2 4.19Å; L1858-F1862 HydrophobicContact CG-CE2 3.49Å; L1858-F1862 VanDerWaalsContact CG-CE2 3.49Å; L1858-F1862 HydrophobicContact CG-CZ 3.79Å; L1858-F1862 VanDerWaalsContact O-CD2 3.27Å; L1858-F1862 WeakPolarHBondContact O-CD2 3.35Å; L1858-F1862 PolarHBondContact O-N 2.81Å; L1858-I1913 HydrophobicContact CD1-CD1 4.28Å |
| 1859 | E | 88.1 | Confident | 87.3 | Confident | 100 Ų | 100 | 49.6 Ų | 49.6 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 174.7 | -74.4 | 173.9 | 179.5 | 0 | 0 | 111.1 | N1855 Y1861 F1862 E1863 | N1855-E1859 PolarHBondContact ND2-OE1 3.39Å; N1855-E1859 PolarHBondContact O-N 2.81Å; E1859-Y1861 PolarHBondContact O-N 3.09Å; E1859-F1862 PolarHBondContact O-N 3.49Å; E1859-E1863 PolarHBondContact O-N 3.42Å; E1859-E1863 VanDerWaalsContact O-N 3.07Å |
| 1860 | T | 89.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 50 Ų | 50 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.5 | -34.6 | 175 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | G1856 R1864 Q1909 | G1856-T1860 PolarHBondContact O-N 3.27Å; G1856-T1860 PolarHBondContact O-OG1 3.13Å; T1860-R1864 WeakPolarHBondContact O-CB 3.41Å; T1860-R1864 VanDerWaalsContact O-CG 3.25Å; T1860-R1864 WeakPolarHBondContact O-CG 3.46Å; T1860-R1864 PolarHBondContact O-N 2.9Å; T1860-R1864 VanDerWaalsContact O-N 3.11Å; T1860-Q1909 HydrophobicContact CG2-CG 4.35Å |
| 1861 | Y | 91.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 175.5 | 159.8 | -91.6 | 0 | 0 | 0 | 112.1 | T1786 V1790 H1857 L1858 E1859 R1864 R1865 L1906 I1910 I1913 | T1786-Y1861 HydrophobicContact CG2-CD1 4.36Å; T1786-Y1861 HydrophobicContact CG2-CE1 3.6Å; T1786-Y1861 PolarHBondContact O-OH 3.12Å; V1790-Y1861 HydrophobicContact CG2-CE2 3.32Å; V1790-Y1861 WeakPolarHBondContact CG2-OH 3.49Å; H1857-Y1861 WeakPolarHBondContact O-CB 3.49Å; H1857-Y1861 PolarHBondContact O-N 3.4Å; H1857-Y1861 VanDerWaalsContact O-N 3.1Å; L1858-Y1861 HydrophobicContact CD1-CD1 4.47Å; L1858-Y1861 WeakPolarHBondContact O-CA 3.5Å; L1858-Y1861 VanDerWaalsContact O-CB 3.27Å; L1858-Y1861 WeakPolarHBondContact O-CB 3.28Å; L1858-Y1861 PolarHBondContact O-N 3.23Å; L1858-Y1861 VanDerWaalsContact O-N 3.1Å; E1859-Y1861 PolarHBondContact O-N 3.09Å; Y1861-R1864 PolarHBondContact O-N 2.93Å; Y1861-R1865 WeakPolarHBondContact O-CB 3.43Å; Y1861-R1865 PolarHBondContact O-N 3.05Å; Y1861-L1906 HydrophobicContact CD2-CD1 3.71Å; Y1861-L1906 HydrophobicContact CE2-CD1 3.69Å; Y1861-L1906 HydrophobicContact CE2-CG 4.31Å; Y1861-I1910 HydrophobicContact CD2-CG1 4.02Å; Y1861-I1910 HydrophobicContact CE2-CD1 4.06Å; Y1861-I1910 HydrophobicContact CE2-CG1 3.96Å; Y1861-I1913 HydrophobicContact CG-CD1 4.11Å |
| 1862 | F | 88.6 | Confident | 88.9 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 178.4 | -66.8 | -48.6 | 0 | 0 | 0 | 111.9 | E1755 L1782 T1786 L1858 E1859 R1864 R1865 E1866 | E1755-F1862 HydrophobicContact CB-CZ 4.33Å; E1755-F1862 HydrophobicContact CG-CE1 3.94Å; E1755-F1862 HydrophobicContact CG-CZ 3.66Å; E1755-F1862 VanDerWaalsContact OE1-CE1 3.24Å; E1755-F1862 WeakPolarHBondContact OE1-CE1 3.32Å; L1782-F1862 HydrophobicContact CD1-CZ 4.37Å; T1786-F1862 HydrophobicContact CG2-CE1 4.16Å; L1858-F1862 HydrophobicContact CD1-CE2 4.22Å; L1858-F1862 HydrophobicContact CD1-CZ 4.01Å; L1858-F1862 HydrophobicContact CD2-CE2 3.57Å; L1858-F1862 HydrophobicContact CD2-CZ 3.92Å; L1858-F1862 HydrophobicContact CG-CD2 4.19Å; L1858-F1862 HydrophobicContact CG-CE2 3.49Å; L1858-F1862 VanDerWaalsContact CG-CE2 3.49Å; L1858-F1862 HydrophobicContact CG-CZ 3.79Å; L1858-F1862 VanDerWaalsContact O-CD2 3.27Å; L1858-F1862 WeakPolarHBondContact O-CD2 3.35Å; L1858-F1862 PolarHBondContact O-N 2.81Å; E1859-F1862 PolarHBondContact O-N 3.49Å; F1862-R1864 PolarHBondContact O-N 3.44Å; F1862-R1865 WeakPolarHBondContact O-CB 3.22Å; F1862-R1865 PolarHBondContact O-N 3.06Å; F1862-E1866 PolarHBondContact O-N 2.7Å; F1862-E1866 VanDerWaalsContact O-N 3.08Å |
| 1863 | E | 86.9 | Confident | 89.3 | Confident | 142 Ų | 142 | 48.5 Ų | 48.5 | 66% | 0.664 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -58.7 | -46.4 | 175.5 | -68.4 | -178.7 | 172.4 | 0 | 0 | 112 | E1859 R1865 E1866 H1867 | E1859-E1863 PolarHBondContact O-N 3.42Å; E1859-E1863 VanDerWaalsContact O-N 3.07Å; E1863-R1865 PolarHBondContact O-N 3.46Å; E1863-E1866 PolarHBondContact O-N 3.26Å; E1863-H1867 PolarHBondContact O-N 2.87Å |
| 1864 | R | 90.5 | Very high | 89.4 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65 | -38.6 | 177.9 | -74.1 | 179.5 | -176.3 | -173.6 | 10.8 | 112.2 | T1860 Y1861 F1862 H1867 T1868 K1905 L1906 Q1909 | T1860-R1864 WeakPolarHBondContact O-CB 3.41Å; T1860-R1864 VanDerWaalsContact O-CG 3.25Å; T1860-R1864 WeakPolarHBondContact O-CG 3.46Å; T1860-R1864 PolarHBondContact O-N 2.9Å; T1860-R1864 VanDerWaalsContact O-N 3.11Å; Y1861-R1864 PolarHBondContact O-N 2.93Å; F1862-R1864 PolarHBondContact O-N 3.44Å; R1864-H1867 PolarHBondContact O-N 3.31Å; R1864-T1868 PolarHBondContact O-N 3.3Å; R1864-T1868 PolarHBondContact O-OG1 3.09Å; R1864-K1905 PolarHBondContact NH1-O 3.44Å; R1864-L1906 HydrophobicContact CB-CD1 4.03Å; R1864-Q1909 VanDerWaalsContact NH1-OE1 3.13Å |
| 1865 | R | 91.5 | Very high | 89.6 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -50 | 176.5 | -175.4 | -170.2 | 78.6 | -161.5 | 1.9 | 110.7 | E1755 L1793 Y1861 F1862 E1863 H1867 T1868 I1869 L1906 | E1755-R1865 IonicContact OE1-CZ 2.7Å; E1755-R1865 IonicContact OE1-NH1 3.74Å; E1755-R1865 PolarHBondContact OE1-NH1 2.85Å; E1755-R1865 IonicContact OE2-NH1 2.98Å; L1793-R1865 HydrophobicContact CD2-CG 4.32Å; Y1861-R1865 WeakPolarHBondContact O-CB 3.43Å; Y1861-R1865 PolarHBondContact O-N 3.05Å; F1862-R1865 WeakPolarHBondContact O-CB 3.22Å; F1862-R1865 PolarHBondContact O-N 3.06Å; E1863-R1865 PolarHBondContact O-N 3.46Å; R1865-H1867 VanDerWaalsContact C-N 3.33Å; R1865-H1867 PolarHBondContact O-N 2.94Å; R1865-T1868 PolarHBondContact O-N 3.41Å; R1865-I1869 HydrophobicContact CG-CD1 4.25Å; R1865-I1869 WeakPolarHBondContact O-CG1 3.34Å; R1865-I1869 PolarHBondContact O-N 3.29Å; R1865-L1906 HydrophobicContact CB-CD1 4.06Å |
| 1866 | E | 90.3 | Very high | 89.7 | Confident | 82 Ų | 82 | 51.4 Ų | 51.4 | 38% | 0.383 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 178.5 | -66.6 | -52.5 | 133.4 | 0 | 0 | 111.8 | F1862 E1863 I1869 K1870 | F1862-E1866 PolarHBondContact O-N 2.7Å; F1862-E1866 VanDerWaalsContact O-N 3.08Å; E1863-E1866 PolarHBondContact O-N 3.26Å; E1866-I1869 PolarHBondContact O-N 3.48Å; E1866-K1870 WeakPolarHBondContact O-CG 3.32Å; E1866-K1870 PolarHBondContact O-N 3.32Å; E1866-K1870 VanDerWaalsContact O-N 3.12Å |
| 1867 | H | 90 | Very high | 89.6 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.6 | -179.3 | -98 | 0 | 0 | 0 | 112 | E1863 R1864 R1865 I1869 K1870 V1871 S1902 | E1863-H1867 PolarHBondContact O-N 2.87Å; R1864-H1867 PolarHBondContact O-N 3.31Å; R1865-H1867 VanDerWaalsContact C-N 3.33Å; R1865-H1867 PolarHBondContact O-N 2.94Å; H1867-I1869 PolarHBondContact O-N 2.66Å; H1867-K1870 WeakPolarHBondContact O-CB 3.44Å; H1867-K1870 PolarHBondContact O-N 3.14Å; H1867-V1871 WeakPolarHBondContact O-CG2 3.45Å; H1867-V1871 PolarHBondContact O-N 3.4Å; H1867-S1902 PolarHBondContact ND1-OG 3.33Å |
| 1868 | T | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | L1793 R1864 R1865 K1870 V1871 L1872 L1899 S1902 L1903 | L1793-T1868 HydrophobicContact CD2-CG2 3.88Å; L1793-T1868 HydrophobicContact CG-CG2 4.37Å; R1864-T1868 PolarHBondContact O-N 3.3Å; R1864-T1868 PolarHBondContact O-OG1 3.09Å; R1865-T1868 PolarHBondContact O-N 3.41Å; T1868-K1870 VanDerWaalsContact C-N 3.34Å; T1868-K1870 PolarHBondContact O-N 3.11Å; T1868-V1871 PolarHBondContact O-N 2.98Å; T1868-L1872 WeakPolarHBondContact O-CB 3.43Å; T1868-L1872 PolarHBondContact O-N 3.2Å; T1868-L1899 HydrophobicContact CG2-CD1 4.38Å; T1868-S1902 VanDerWaalsContact CA-OG 3.24Å; T1868-S1902 WeakPolarHBondContact CA-OG 3.49Å; T1868-S1902 WeakPolarHBondContact CB-OG 3.24Å; T1868-S1902 PolarHBondContact OG1-OG 2.93Å; T1868-L1903 HydrophobicContact CG2-CD2 3.77Å; T1868-L1903 HydrophobicContact CG2-CG 4.21Å |
| 1869 | I | 91.7 | Very high | 88.9 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 28% | 0.282 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.8 | -68.1 | 165.5 | 0 | 0 | 0 | 110.8 | L1793 R1865 E1866 H1867 L1872 N1873 | L1793-I1869 HydrophobicContact CD1-CG1 3.73Å; L1793-I1869 HydrophobicContact CD2-CG1 4.1Å; R1865-I1869 HydrophobicContact CG-CD1 4.25Å; R1865-I1869 WeakPolarHBondContact O-CG1 3.34Å; R1865-I1869 PolarHBondContact O-N 3.29Å; E1866-I1869 PolarHBondContact O-N 3.48Å; H1867-I1869 PolarHBondContact O-N 2.66Å; I1869-L1872 PolarHBondContact O-N 2.88Å; I1869-N1873 PolarHBondContact O-N 3.42Å; I1869-N1873 PolarHBondContact O-ND2 3.45Å |
| 1870 | K | 92 | Very high | 88.4 | Confident | 134 Ų | 134 | 54.6 Ų | 54.6 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 175.5 | -70.5 | 173.3 | -176.9 | 175.7 | 0 | 111.6 | E1866 H1867 T1868 L1872 N1873 N1874 | E1866-K1870 WeakPolarHBondContact O-CG 3.32Å; E1866-K1870 PolarHBondContact O-N 3.32Å; E1866-K1870 VanDerWaalsContact O-N 3.12Å; H1867-K1870 WeakPolarHBondContact O-CB 3.44Å; H1867-K1870 PolarHBondContact O-N 3.14Å; T1868-K1870 VanDerWaalsContact C-N 3.34Å; T1868-K1870 PolarHBondContact O-N 3.11Å; K1870-L1872 VanDerWaalsContact C-N 3.34Å; K1870-L1872 PolarHBondContact O-N 3.38Å; K1870-N1873 PolarHBondContact O-N 2.9Å; K1870-N1874 PolarHBondContact O-N 3.36Å |
| 1871 | V | 91.4 | Very high | 87.5 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | H1867 T1868 N1873 N1874 F1875 E1898 L1899 | H1867-V1871 WeakPolarHBondContact O-CG2 3.45Å; H1867-V1871 PolarHBondContact O-N 3.4Å; T1868-V1871 PolarHBondContact O-N 2.98Å; V1871-N1873 PolarHBondContact O-N 2.91Å; V1871-N1874 PolarHBondContact O-N 3.38Å; V1871-F1875 PolarHBondContact O-N 3.21Å; V1871-E1898 HydrophobicContact CG1-CB 4.33Å; V1871-E1898 HydrophobicContact CG1-CG 4.14Å; V1871-L1899 HydrophobicContact CG1-CB 3.95Å; V1871-L1899 HydrophobicContact CG1-CD1 4.2Å |
| 1872 | L | 93 | Very high | 86.7 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.6 | 176.5 | 59.5 | 0 | 0 | 0 | 112.2 | L1793 D1796 A1797 F1800 T1868 I1869 K1870 N1874 F1875 K1876 L1899 | L1793-L1872 HydrophobicContact CD1-CD2 3.94Å; D1796-L1872 HydrophobicContact CB-CD2 4.31Å; A1797-L1872 HydrophobicContact CB-CD1 3.97Å; A1797-L1872 HydrophobicContact CB-CD2 4.38Å; F1800-L1872 HydrophobicContact CD2-CD1 4.02Å; T1868-L1872 WeakPolarHBondContact O-CB 3.43Å; T1868-L1872 PolarHBondContact O-N 3.2Å; I1869-L1872 PolarHBondContact O-N 2.88Å; K1870-L1872 VanDerWaalsContact C-N 3.34Å; K1870-L1872 PolarHBondContact O-N 3.38Å; L1872-N1874 VanDerWaalsContact C-N 3.35Å; L1872-F1875 PolarHBondContact O-N 3.14Å; L1872-K1876 HydrophobicContact CD1-CG 4.46Å; L1872-K1876 HydrophobicContact CG-CD 4.32Å; L1872-K1876 WeakPolarHBondContact O-CG 3Å; L1872-K1876 PolarHBondContact O-N 3.28Å; L1872-L1899 HydrophobicContact CB-CD1 3.92Å; L1872-L1899 HydrophobicContact CD1-CD1 4.32Å; L1872-L1899 HydrophobicContact CD1-CD2 3.77Å |
| 1873 | N | 91.2 | Very high | 85.8 | Confident | 81 Ų | 81 | 65 Ų | 65 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 178.1 | -73.3 | -27.2 | 0 | 0 | 0 | 112 | I1869 K1870 V1871 K1876 S1877 | I1869-N1873 PolarHBondContact O-N 3.42Å; I1869-N1873 PolarHBondContact O-ND2 3.45Å; K1870-N1873 PolarHBondContact O-N 2.9Å; V1871-N1873 PolarHBondContact O-N 2.91Å; N1873-K1876 PolarHBondContact O-N 3.4Å; N1873-S1877 WeakPolarHBondContact O-CB 3.35Å; N1873-S1877 PolarHBondContact O-N 3.32Å |
| 1874 | N | 88.4 | Confident | 84.9 | Confident | 75 Ų | 75 | 65 Ų | 65 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 172 | -69.5 | -13.4 | 0 | 0 | 0 | 110.7 | K1870 V1871 L1872 K1876 S1877 A1878 Q1895 | K1870-N1874 PolarHBondContact O-N 3.36Å; V1871-N1874 PolarHBondContact O-N 3.38Å; L1872-N1874 VanDerWaalsContact C-N 3.35Å; N1874-K1876 PolarHBondContact O-N 3.45Å; N1874-S1877 WeakPolarHBondContact O-CB 3.49Å; N1874-S1877 PolarHBondContact O-N 3.26Å; N1874-S1877 PolarHBondContact O-OG 3Å; N1874-A1878 PolarHBondContact O-N 3.17Å; N1874-Q1895 VanDerWaalsContact C-OE1 3.26Å; N1874-Q1895 PolarHBondContact O-OE1 3.44Å |
| 1875 | F | 88.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.1 | -177.3 | -120.2 | 0 | 0 | 0 | 113.1 | F1800 L1801 V1871 L1872 S1877 A1878 L1879 T1892 Q1895 L1899 | F1800-F1875 HydrophobicContact CB-CD1 3.93Å; F1800-F1875 HydrophobicContact CB-CE1 3.68Å; L1801-F1875 HydrophobicContact CD2-CE1 3.98Å; L1801-F1875 HydrophobicContact CD2-CZ 4.14Å; L1801-F1875 HydrophobicContact CG-CE1 4.37Å; V1871-F1875 PolarHBondContact O-N 3.21Å; L1872-F1875 PolarHBondContact O-N 3.14Å; F1875-S1877 VanDerWaalsContact C-N 3.28Å; F1875-S1877 PolarHBondContact O-N 2.99Å; F1875-A1878 PolarHBondContact O-N 3.31Å; F1875-L1879 HydrophobicContact CD1-CD1 4Å; F1875-L1879 HydrophobicContact CE1-CD1 3.56Å; F1875-L1879 HydrophobicContact CE1-CG 4.31Å; F1875-L1879 HydrophobicContact CE2-CD1 4.28Å; F1875-L1879 HydrophobicContact CE2-CD2 4.5Å; F1875-L1879 HydrophobicContact CE2-CG 4.16Å; F1875-L1879 HydrophobicContact CZ-CD1 3.71Å; F1875-L1879 HydrophobicContact CZ-CD2 4.31Å; F1875-L1879 HydrophobicContact CZ-CG 4.04Å; F1875-L1879 PolarHBondContact O-N 2.96Å; F1875-T1892 VanDerWaalsContact CE2-O 3.32Å; F1875-T1892 WeakPolarHBondContact CE2-O 3.45Å; F1875-Q1895 HydrophobicContact CB-CB 4.42Å; F1875-Q1895 HydrophobicContact CD2-CB 3.87Å; F1875-L1899 HydrophobicContact CB-CD2 4.25Å; F1875-L1899 HydrophobicContact CD1-CD2 3.59Å; F1875-L1899 HydrophobicContact CE1-CD2 4.23Å; F1875-L1899 HydrophobicContact CG-CD2 4.13Å |
| 1876 | K | 88.4 | Confident | 80.9 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 22% | 0.222 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 172.6 | -76.3 | 169.6 | 176.9 | 169.3 | 0 | 111.7 | F1800 L1872 N1873 N1874 K1880 | F1800-K1876 HydrophobicContact CD1-CG 4.1Å; F1800-K1876 HydrophobicContact CD2-CD 4.46Å; F1800-K1876 HydrophobicContact CD2-CG 4.02Å; F1800-K1876 HydrophobicContact CE1-CG 4.01Å; F1800-K1876 HydrophobicContact CE2-CD 4.06Å; F1800-K1876 HydrophobicContact CE2-CG 4.01Å; F1800-K1876 HydrophobicContact CG-CG 4.11Å; F1800-K1876 HydrophobicContact CZ-CD 4.13Å; F1800-K1876 VanDerWaalsContact CZ-CE 3.47Å; F1800-K1876 HydrophobicContact CZ-CG 3.98Å; L1872-K1876 HydrophobicContact CD1-CG 4.46Å; L1872-K1876 HydrophobicContact CG-CD 4.32Å; L1872-K1876 WeakPolarHBondContact O-CG 3Å; L1872-K1876 PolarHBondContact O-N 3.28Å; N1873-K1876 PolarHBondContact O-N 3.4Å; N1874-K1876 PolarHBondContact O-N 3.45Å; K1876-K1880 WeakPolarHBondContact O-CG 3.49Å; K1876-K1880 PolarHBondContact O-N 3.23Å; K1876-K1880 VanDerWaalsContact O-N 3.07Å |
| 1877 | S | 83 | Confident | 79 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 179.3 | 78.1 | 0 | 0 | 0 | 0 | 111.9 | N1873 N1874 F1875 K1880 L1881 | N1873-S1877 WeakPolarHBondContact O-CB 3.35Å; N1873-S1877 PolarHBondContact O-N 3.32Å; N1874-S1877 WeakPolarHBondContact O-CB 3.49Å; N1874-S1877 PolarHBondContact O-N 3.26Å; N1874-S1877 PolarHBondContact O-OG 3Å; F1875-S1877 VanDerWaalsContact C-N 3.28Å; F1875-S1877 PolarHBondContact O-N 2.99Å; S1877-K1880 PolarHBondContact O-N 3.2Å; S1877-L1881 WeakPolarHBondContact O-CG 3.29Å; S1877-L1881 PolarHBondContact O-N 2.94Å |
| 1878 | A | 80.6 | Confident | 77.2 | Confident | 6 Ų | 6 | 76.1 Ų | 76.1 | 5% | 0.05 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.1 | -38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1874 F1875 K1880 L1881 Q1882 T1892 | N1874-A1878 PolarHBondContact O-N 3.17Å; F1875-A1878 PolarHBondContact O-N 3.31Å; A1878-K1880 PolarHBondContact O-N 3.34Å; A1878-L1881 PolarHBondContact O-N 3.3Å; A1878-Q1882 WeakPolarHBondContact O-CB 3.32Å; A1878-Q1882 PolarHBondContact O-N 2.95Å; A1878-T1892 HydrophobicContact CB-CG2 3.75Å |
| 1879 | L | 79.7 | Confident | 75.6 | Confident | 28 Ų | 28 | 82.1 Ų | 82.1 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 171.2 | -78.4 | 173.3 | 0 | 0 | 0 | 111.9 | F1800 F1875 L1881 Q1882 L1883 | F1800-L1879 HydrophobicContact CB-CD1 3.94Å; F1800-L1879 HydrophobicContact CD1-CD1 4.12Å; F1800-L1879 HydrophobicContact CG-CD1 4.46Å; F1875-L1879 HydrophobicContact CD1-CD1 4Å; F1875-L1879 HydrophobicContact CE1-CD1 3.56Å; F1875-L1879 HydrophobicContact CE1-CG 4.31Å; F1875-L1879 HydrophobicContact CE2-CD1 4.28Å; F1875-L1879 HydrophobicContact CE2-CD2 4.5Å; F1875-L1879 HydrophobicContact CE2-CG 4.16Å; F1875-L1879 HydrophobicContact CZ-CD1 3.71Å; F1875-L1879 HydrophobicContact CZ-CD2 4.31Å; F1875-L1879 HydrophobicContact CZ-CG 4.04Å; F1875-L1879 PolarHBondContact O-N 2.96Å; L1879-L1881 VanDerWaalsContact C-N 3.34Å; L1879-L1881 PolarHBondContact O-N 2.84Å; L1879-Q1882 PolarHBondContact O-N 2.92Å; L1879-L1883 PolarHBondContact O-N 3.35Å |
| 1880 | K | 78.4 | Confident | 74.2 | Confident | 148 Ų | 148 | 86 Ų | 86 | 64% | 0.643 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 174.8 | -77.4 | 179 | 179.9 | 179.3 | 0 | 112 | K1876 S1877 A1878 L1883 L1884 | K1876-K1880 WeakPolarHBondContact O-CG 3.49Å; K1876-K1880 PolarHBondContact O-N 3.23Å; K1876-K1880 VanDerWaalsContact O-N 3.07Å; S1877-K1880 PolarHBondContact O-N 3.2Å; A1878-K1880 PolarHBondContact O-N 3.34Å; K1880-L1883 PolarHBondContact O-N 3.33Å; K1880-L1884 WeakPolarHBondContact O-CD1 3.35Å; K1880-L1884 WeakPolarHBondContact O-CG 3.43Å; K1880-L1884 PolarHBondContact O-N 3.36Å |
| 1881 | L | 71.9 | Confident | 73.2 | Confident | 90 Ų | 90 | 81 Ų | 81 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 176.5 | -72.9 | 170 | 0 | 0 | 0 | 112.3 | S1877 A1878 L1879 L1883 L1884 I1885 | S1877-L1881 WeakPolarHBondContact O-CG 3.29Å; S1877-L1881 PolarHBondContact O-N 2.94Å; A1878-L1881 PolarHBondContact O-N 3.3Å; L1879-L1881 VanDerWaalsContact C-N 3.34Å; L1879-L1881 PolarHBondContact O-N 2.84Å; L1881-L1883 VanDerWaalsContact C-N 3.32Å; L1881-L1883 PolarHBondContact O-N 2.99Å; L1881-L1884 PolarHBondContact O-N 3.46Å; L1881-L1884 VanDerWaalsContact O-N 3.1Å; L1881-I1885 PolarHBondContact O-N 2.87Å |
| 1882 | Q | 72.4 | Confident | 72.6 | Confident | 56 Ų | 56 | 80.8 Ų | 80.8 | 26% | 0.262 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 175.4 | -171.3 | -179.1 | 2.7 | 0 | 0 | 111.8 | A1878 L1879 L1884 I1885 E1889 T1892 | A1878-Q1882 WeakPolarHBondContact O-CB 3.32Å; A1878-Q1882 PolarHBondContact O-N 2.95Å; L1879-Q1882 PolarHBondContact O-N 2.92Å; Q1882-L1884 PolarHBondContact O-N 3.15Å; Q1882-I1885 CarbonylContact O-C 3.46Å; Q1882-I1885 PolarHBondContact O-N 3.47Å; Q1882-I1885 VanDerWaalsContact O-O 3.06Å; Q1882-E1889 VanDerWaalsContact NE2-CG 3.32Å; Q1882-T1892 HydrophobicContact CB-CG2 4.11Å; Q1882-T1892 PolarHBondContact OE1-OG1 3.01Å |
| 1883 | L | 69.7 | Low | 72.1 | Confident | 152 Ų | 152 | 84.1 Ų | 84.1 | 80% | 0.796 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64 | -29.3 | 172.9 | -83.1 | 159.3 | 0 | 0 | 0 | 112.9 | L1879 K1880 L1881 | L1879-L1883 PolarHBondContact O-N 3.35Å; K1880-L1883 PolarHBondContact O-N 3.33Å; L1881-L1883 VanDerWaalsContact C-N 3.32Å; L1881-L1883 PolarHBondContact O-N 2.99Å |
| 1884 | L | 69.9 | Low | 71.7 | Confident | 141 Ų | 141 | 86.3 Ų | 86.3 | 74% | 0.738 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -85.2 | -28 | 178.3 | -72.5 | 162.1 | 0 | 0 | 0 | 112.8 | K1880 L1881 Q1882 | K1880-L1884 WeakPolarHBondContact O-CD1 3.35Å; K1880-L1884 WeakPolarHBondContact O-CG 3.43Å; K1880-L1884 PolarHBondContact O-N 3.36Å; L1881-L1884 PolarHBondContact O-N 3.46Å; L1881-L1884 VanDerWaalsContact O-N 3.1Å; Q1882-L1884 PolarHBondContact O-N 3.15Å |
| 1885 | I | 47.8 | Very low | 71.6 | Confident | 99 Ų | 99 | 85.7 Ų | 85.7 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | trans | -141.1 | 119.9 | -171.1 | -54.2 | 178.1 | 0 | 0 | 0 | 110.9 | L1881 Q1882 K1887 | L1881-I1885 PolarHBondContact O-N 2.87Å; Q1882-I1885 CarbonylContact O-C 3.46Å; Q1882-I1885 PolarHBondContact O-N 3.47Å; Q1882-I1885 VanDerWaalsContact O-O 3.06Å; I1885-K1887 PolarHBondContact O-N 3.49Å | ||
| 1886 | T | 48.8 | Very low | 71.6 | Confident | 142 Ų | 142 | 85.6 Ų | 85.6 | 87% | 0.871 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 9.4 | -172.2 | 48.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1887 | K | 50 | Low | 71.7 | Confident | 188 Ų | 188 | 83.8 Ų | 83.8 | 82% | 0.817 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 11.3 | -171.4 | -75.1 | -168.3 | 176.6 | -176 | 0 | 116.9 | I1885 | I1885-K1887 PolarHBondContact O-N 3.49Š|
| 1888 | M | 53.3 | Low | 72 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 38% | 0.379 | 42% | 0.416 | S | S | . | . | trans | -105.5 | 20.8 | -174 | -64.7 | -122.5 | 70.3 | 0 | 0 | 115.8 | H1890 S1891 | M1888-H1890 VanDerWaalsContact C-N 3.29Å; M1888-H1890 PolarHBondContact O-N 3.17Å; M1888-H1890 VanDerWaalsContact O-N 3.15Å; M1888-S1891 PolarHBondContact O-N 3.4Å; M1888-S1891 PolarHBondContact O-OG 2.9Å | ||
| 1889 | E | 58.7 | Low | 72.6 | Confident | 125 Ų | 125 | 83.8 Ų | 83.8 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -54.4 | -32.8 | -175.7 | -89.9 | -177.3 | 171.8 | 0 | 0 | 115.6 | Q1882 T1892 | Q1882-E1889 VanDerWaalsContact NE2-CG 3.32Å; E1889-T1892 PolarHBondContact O-OG1 3.47Å |
| 1890 | H | 61 | Low | 73.2 | Confident | 137 Ų | 137 | 82.5 Ų | 82.5 | 63% | 0.634 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.8 | -43.1 | -179.9 | -98 | -76.8 | 0 | 0 | 0 | 112.6 | M1888 T1892 K1893 E1894 | M1888-H1890 VanDerWaalsContact C-N 3.29Å; M1888-H1890 PolarHBondContact O-N 3.17Å; M1888-H1890 VanDerWaalsContact O-N 3.15Å; H1890-T1892 VanDerWaalsContact C-N 3.28Å; H1890-T1892 PolarHBondContact O-N 3.35Å; H1890-K1893 PolarHBondContact O-N 2.94Å; H1890-E1894 PolarHBondContact O-N 3.41Å |
| 1891 | S | 72.1 | Confident | 73.9 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 21% | 0.21 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.6 | -32.4 | -177.2 | 66.4 | 0 | 0 | 0 | 0 | 113 | M1888 Q1895 | M1888-S1891 PolarHBondContact O-N 3.4Å; M1888-S1891 PolarHBondContact O-OG 2.9Å; S1891-Q1895 WeakPolarHBondContact O-CB 3.29Å; S1891-Q1895 VanDerWaalsContact O-CG 3.3Å; S1891-Q1895 WeakPolarHBondContact O-CG 3.43Å; S1891-Q1895 PolarHBondContact O-N 3.21Å; S1891-Q1895 VanDerWaalsContact O-N 3.14Å |
| 1892 | T | 79.4 | Confident | 74.9 | Confident | 9 Ų | 9 | 76.2 Ų | 76.2 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -76.2 | -29.7 | 179.3 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | F1875 A1878 Q1882 E1889 H1890 G1896 | F1875-T1892 VanDerWaalsContact CE2-O 3.32Å; F1875-T1892 WeakPolarHBondContact CE2-O 3.45Å; A1878-T1892 HydrophobicContact CB-CG2 3.75Å; Q1882-T1892 HydrophobicContact CB-CG2 4.11Å; Q1882-T1892 PolarHBondContact OE1-OG1 3.01Å; E1889-T1892 PolarHBondContact O-OG1 3.47Å; H1890-T1892 VanDerWaalsContact C-N 3.28Å; H1890-T1892 PolarHBondContact O-N 3.35Å; T1892-G1896 PolarHBondContact O-N 2.91Å |
| 1893 | K | 82 | Confident | 75.8 | Confident | 75 Ų | 75 | 73.6 Ų | 73.6 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68 | -46.9 | 173.4 | -69 | -179.8 | -178.2 | -176.9 | 0 | 112.3 | M1806 H1890 G1896 L1897 V2062 | M1806-K1893 HydrophobicContact SD-CD 4.16Å; M1806-K1893 HydrophobicContact SD-CG 4.3Å; H1890-K1893 PolarHBondContact O-N 2.94Å; K1893-G1896 PolarHBondContact O-N 3.37Å; K1893-L1897 PolarHBondContact O-N 3.45Å; K1893-V2062 HydrophobicContact CB-CG1 4.22Å |
| 1894 | E | 82.7 | Confident | 76.9 | Confident | 126 Ų | 126 | 68 Ų | 68 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 177.1 | -75.8 | -179.5 | 170.8 | 0 | 0 | 111.7 | H1890 G1896 L1897 E1898 V2062 | H1890-E1894 PolarHBondContact O-N 3.41Å; E1894-G1896 VanDerWaalsContact C-N 3.33Å; E1894-G1896 PolarHBondContact O-N 3.25Å; E1894-L1897 PolarHBondContact O-N 2.9Å; E1894-E1898 PolarHBondContact O-N 2.98Å; E1894-V2062 HydrophobicContact CG-CG1 4.38Å |
| 1895 | Q | 85.9 | Confident | 77.9 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.1 | -34.2 | 177.6 | -71.5 | -172.8 | 6.4 | 0 | 0 | 112.9 | N1874 F1875 S1891 E1898 L1899 | N1874-Q1895 VanDerWaalsContact C-OE1 3.26Å; N1874-Q1895 PolarHBondContact O-OE1 3.44Å; F1875-Q1895 HydrophobicContact CB-CB 4.42Å; F1875-Q1895 HydrophobicContact CD2-CB 3.87Å; S1891-Q1895 WeakPolarHBondContact O-CB 3.29Å; S1891-Q1895 VanDerWaalsContact O-CG 3.3Å; S1891-Q1895 WeakPolarHBondContact O-CG 3.43Å; S1891-Q1895 PolarHBondContact O-N 3.21Å; S1891-Q1895 VanDerWaalsContact O-N 3.14Å; Q1895-E1898 PolarHBondContact O-N 3.15Å; Q1895-L1899 WeakPolarHBondContact O-CB 3.4Å; Q1895-L1899 PolarHBondContact O-N 3Å |
| 1896 | G | 87.8 | Confident | 80 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1807 T1892 K1893 E1894 L1899 C1900 | F1807-G1896 VanDerWaalsContact CE1-C 3.46Å; T1892-G1896 PolarHBondContact O-N 2.91Å; K1893-G1896 PolarHBondContact O-N 3.37Å; E1894-G1896 VanDerWaalsContact C-N 3.33Å; E1894-G1896 PolarHBondContact O-N 3.25Å; G1896-L1899 PolarHBondContact O-N 3.17Å; G1896-C1900 PolarHBondContact O-N 2.9Å; G1896-C1900 PolarHBondContact O-SG 2.91Å; G1896-C1900 VanDerWaalsContact O-SG 3.33Å |
| 1897 | L | 90 | Very high | 81.9 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175 | 178.6 | 67.8 | 0 | 0 | 0 | 111.8 | K1893 E1894 L1899 C1900 R1901 I2055 L2058 A2059 V2062 | K1893-L1897 PolarHBondContact O-N 3.45Å; E1894-L1897 PolarHBondContact O-N 2.9Å; L1897-L1899 VanDerWaalsContact C-N 3.32Å; L1897-L1899 PolarHBondContact O-N 3.13Å; L1897-C1900 WeakPolarHBondContact O-CB 3.26Å; L1897-C1900 PolarHBondContact O-N 2.88Å; L1897-R1901 PolarHBondContact O-N 2.82Å; L1897-I2055 HydrophobicContact CD1-CG2 4.24Å; L1897-L2058 HydrophobicContact CD1-CB 4.4Å; L1897-L2058 HydrophobicContact CD1-CD2 3.81Å; L1897-A2059 HydrophobicContact CD1-CB 3.94Å; L1897-A2059 HydrophobicContact CD2-CB 3.81Å; L1897-A2059 HydrophobicContact CG-CB 4.5Å; L1897-V2062 HydrophobicContact CB-CG2 4.29Å; L1897-V2062 HydrophobicContact CD2-CB 4.37Å; L1897-V2062 HydrophobicContact CD2-CG2 4.18Å |
| 1898 | E | 90.5 | Very high | 83.9 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 29% | 0.29 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 177.7 | -169 | 53.4 | -144.7 | 0 | 0 | 111.9 | V1871 E1894 Q1895 C1900 R1901 S1902 | V1871-E1898 HydrophobicContact CG1-CB 4.33Å; V1871-E1898 HydrophobicContact CG1-CG 4.14Å; E1894-E1898 PolarHBondContact O-N 2.98Å; Q1895-E1898 PolarHBondContact O-N 3.15Å; E1898-C1900 PolarHBondContact O-N 3.49Å; E1898-R1901 PolarHBondContact O-N 3.27Å; E1898-R1901 IonicContact OE2-NH1 3.55Å; E1898-R1901 PolarHBondContact OE2-NH1 2.63Å; E1898-S1902 WeakPolarHBondContact O-CB 3.45Å; E1898-S1902 PolarHBondContact O-N 2.72Å |
| 1899 | L | 92.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 171.7 | -178.3 | 58.2 | 0 | 0 | 0 | 111.6 | A1797 L1801 T1868 V1871 L1872 F1875 Q1895 G1896 L1897 R1901 S1902 L1903 | A1797-L1899 HydrophobicContact CB-CD1 4.22Å; A1797-L1899 HydrophobicContact CB-CD2 4.13Å; A1797-L1899 HydrophobicContact CB-CG 4.37Å; L1801-L1899 HydrophobicContact CD1-CD2 4.2Å; L1801-L1899 HydrophobicContact CD1-CG 4.36Å; L1801-L1899 HydrophobicContact CD2-CD2 4.04Å; L1801-L1899 HydrophobicContact CG-CD2 3.95Å; T1868-L1899 HydrophobicContact CG2-CD1 4.38Å; V1871-L1899 HydrophobicContact CG1-CB 3.95Å; V1871-L1899 HydrophobicContact CG1-CD1 4.2Å; L1872-L1899 HydrophobicContact CB-CD1 3.92Å; L1872-L1899 HydrophobicContact CD1-CD1 4.32Å; L1872-L1899 HydrophobicContact CD1-CD2 3.77Å; F1875-L1899 HydrophobicContact CB-CD2 4.25Å; F1875-L1899 HydrophobicContact CD1-CD2 3.59Å; F1875-L1899 HydrophobicContact CE1-CD2 4.23Å; F1875-L1899 HydrophobicContact CG-CD2 4.13Å; Q1895-L1899 WeakPolarHBondContact O-CB 3.4Å; Q1895-L1899 PolarHBondContact O-N 3Å; G1896-L1899 PolarHBondContact O-N 3.17Å; L1897-L1899 VanDerWaalsContact C-N 3.32Å; L1897-L1899 PolarHBondContact O-N 3.13Å; L1899-R1901 PolarHBondContact O-N 3.32Å; L1899-S1902 PolarHBondContact O-N 2.99Å; L1899-L1903 HydrophobicContact CD1-CD1 4.43Å; L1899-L1903 HydrophobicContact CD1-CG 4.35Å; L1899-L1903 HydrophobicContact CG-CD1 4.24Å; L1899-L1903 WeakPolarHBondContact O-CG 3.24Å; L1899-L1903 PolarHBondContact O-N 2.94Å |
| 1900 | C | 91.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | F1814 G1896 L1897 E1898 S1902 L1903 H1904 I2055 | F1814-C1900 HydrophobicContact CE2-CB 4.24Å; F1814-C1900 WeakPolarHBondContact CZ-O 3.45Å; G1896-C1900 PolarHBondContact O-N 2.9Å; G1896-C1900 PolarHBondContact O-SG 2.91Å; G1896-C1900 VanDerWaalsContact O-SG 3.33Å; L1897-C1900 WeakPolarHBondContact O-CB 3.26Å; L1897-C1900 PolarHBondContact O-N 2.88Å; E1898-C1900 PolarHBondContact O-N 3.49Å; C1900-S1902 VanDerWaalsContact C-N 3.35Å; C1900-S1902 PolarHBondContact O-N 3.31Å; C1900-L1903 PolarHBondContact O-N 2.94Å; C1900-H1904 PolarHBondContact O-N 3.42Å; C1900-I2055 HydrophobicContact CB-CD1 4.27Å; C1900-I2055 HydrophobicContact CB-CG1 4.17Å; C1900-I2055 WeakPolarHBondContact O-CD1 3.28Å |
| 1901 | R | 93.2 | Very high | 88.4 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 39% | 0.392 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.4 | -71.2 | 174.8 | -179.5 | 166.3 | -1.8 | 112.1 | L1897 E1898 L1899 H1904 K1905 I2055 | L1897-R1901 PolarHBondContact O-N 2.82Å; E1898-R1901 PolarHBondContact O-N 3.27Å; E1898-R1901 IonicContact OE2-NH1 3.55Å; E1898-R1901 PolarHBondContact OE2-NH1 2.63Å; L1899-R1901 PolarHBondContact O-N 3.32Å; R1901-H1904 PolarHBondContact O-N 2.89Å; R1901-K1905 WeakPolarHBondContact O-CG 3.37Å; R1901-K1905 PolarHBondContact O-N 3.28Å; R1901-I2055 HydrophobicContact CG-CG2 3.85Å |
| 1902 | S | 92.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 178.9 | -163.5 | 0 | 0 | 0 | 0 | 111.7 | H1867 T1868 E1898 L1899 C1900 K1905 L1906 | H1867-S1902 PolarHBondContact ND1-OG 3.33Å; T1868-S1902 VanDerWaalsContact CA-OG 3.24Å; T1868-S1902 WeakPolarHBondContact CA-OG 3.49Å; T1868-S1902 WeakPolarHBondContact CB-OG 3.24Å; T1868-S1902 PolarHBondContact OG1-OG 2.93Å; E1898-S1902 WeakPolarHBondContact O-CB 3.45Å; E1898-S1902 PolarHBondContact O-N 2.72Å; L1899-S1902 PolarHBondContact O-N 2.99Å; C1900-S1902 VanDerWaalsContact C-N 3.35Å; C1900-S1902 PolarHBondContact O-N 3.31Å; S1902-K1905 PolarHBondContact O-N 2.97Å; S1902-L1906 PolarHBondContact O-N 2.84Å; S1902-L1906 VanDerWaalsContact O-N 3.08Å |
| 1903 | L | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.4 | -70.7 | 169 | 0 | 0 | 0 | 112.8 | I1794 A1797 L1801 F1814 T1868 L1899 C1900 L1906 L1907 | I1794-L1903 HydrophobicContact CG1-CD2 4.07Å; A1797-L1903 HydrophobicContact CB-CD1 3.72Å; A1797-L1903 HydrophobicContact CB-CD2 4.02Å; A1797-L1903 HydrophobicContact CB-CG 4.36Å; L1801-L1903 HydrophobicContact CD1-CD1 4.07Å; F1814-L1903 HydrophobicContact CD1-CB 4.28Å; F1814-L1903 HydrophobicContact CD2-CD1 4.27Å; F1814-L1903 HydrophobicContact CE1-CB 3.62Å; F1814-L1903 HydrophobicContact CE2-CB 4.23Å; F1814-L1903 HydrophobicContact CE2-CD1 4.11Å; F1814-L1903 HydrophobicContact CZ-CB 3.59Å; F1814-L1903 HydrophobicContact CZ-CD1 4.31Å; T1868-L1903 HydrophobicContact CG2-CD2 3.77Å; T1868-L1903 HydrophobicContact CG2-CG 4.21Å; L1899-L1903 HydrophobicContact CD1-CD1 4.43Å; L1899-L1903 HydrophobicContact CD1-CG 4.35Å; L1899-L1903 HydrophobicContact CG-CD1 4.24Å; L1899-L1903 WeakPolarHBondContact O-CG 3.24Å; L1899-L1903 PolarHBondContact O-N 2.94Å; C1900-L1903 PolarHBondContact O-N 2.94Å; L1903-L1906 WeakPolarHBondContact O-CB 3.44Å; L1903-L1906 PolarHBondContact O-N 3.2Å; L1903-L1907 PolarHBondContact O-N 3.41Å |
| 1904 | H | 92.3 | Very high | 89.4 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 15% | 0.153 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.8 | 174.4 | -98.9 | 0 | 0 | 0 | 111.9 | F1814 C1900 R1901 L1906 L1907 F1908 N2048 I2055 | F1814-H1904 HydrophobicContact CZ-CB 4.46Å; C1900-H1904 PolarHBondContact O-N 3.42Å; R1901-H1904 PolarHBondContact O-N 2.89Å; H1904-L1906 PolarHBondContact O-N 3Å; H1904-L1907 PolarHBondContact O-N 3.05Å; H1904-F1908 WeakPolarHBondContact O-CB 3.21Å; H1904-F1908 PolarHBondContact O-N 3.12Å; H1904-N2048 PolarHBondContact NE2-O 3.21Å; H1904-I2055 HydrophobicContact CB-CD1 3.51Å |
| 1905 | K | 92.3 | Very high | 89.5 | Confident | 105 Ų | 105 | 28.6 Ų | 28.6 | 46% | 0.457 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.3 | -33.7 | 175.3 | -72.8 | 176.5 | -179.9 | 178.5 | 0 | 112.7 | R1864 R1901 S1902 Q1909 | R1864-K1905 PolarHBondContact NH1-O 3.44Å; R1901-K1905 WeakPolarHBondContact O-CG 3.37Å; R1901-K1905 PolarHBondContact O-N 3.28Å; S1902-K1905 PolarHBondContact O-N 2.97Å; K1905-Q1909 PolarHBondContact O-N 3.22Å; K1905-Q1909 VanDerWaalsContact O-N 3.17Å |
| 1906 | L | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.6 | -44.6 | 177.3 | -169.1 | 67.5 | 0 | 0 | 0 | 111.7 | V1790 L1793 Y1861 R1864 R1865 S1902 L1903 H1904 Q1909 I1910 | V1790-L1906 HydrophobicContact CG1-CD2 4.06Å; V1790-L1906 HydrophobicContact CG1-CG 4.43Å; V1790-L1906 HydrophobicContact CG2-CD2 3.94Å; V1790-L1906 HydrophobicContact CG2-CG 4.23Å; L1793-L1906 HydrophobicContact CD2-CD2 3.79Å; Y1861-L1906 HydrophobicContact CD2-CD1 3.71Å; Y1861-L1906 HydrophobicContact CE2-CD1 3.69Å; Y1861-L1906 HydrophobicContact CE2-CG 4.31Å; R1864-L1906 HydrophobicContact CB-CD1 4.03Å; R1865-L1906 HydrophobicContact CB-CD1 4.06Å; S1902-L1906 PolarHBondContact O-N 2.84Å; S1902-L1906 VanDerWaalsContact O-N 3.08Å; L1903-L1906 WeakPolarHBondContact O-CB 3.44Å; L1903-L1906 PolarHBondContact O-N 3.2Å; H1904-L1906 PolarHBondContact O-N 3Å; L1906-Q1909 WeakPolarHBondContact O-CB 3.46Å; L1906-Q1909 PolarHBondContact O-N 3.38Å; L1906-I1910 PolarHBondContact O-N 2.73Å; L1906-I1910 VanDerWaalsContact O-N 3.14Å |
| 1907 | L | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 174.3 | -94.7 | 151 | 0 | 0 | 0 | 112.6 | I1794 F1814 L1821 L1903 H1904 Q1909 I1910 F1911 L2044 L2051 | I1794-L1907 HydrophobicContact CD1-CD1 3.93Å; I1794-L1907 HydrophobicContact CD1-CD2 4.34Å; I1794-L1907 HydrophobicContact CD1-CG 4.02Å; F1814-L1907 HydrophobicContact CD1-CD1 3.46Å; F1814-L1907 VanDerWaalsContact CD1-CD1 3.46Å; F1814-L1907 HydrophobicContact CE1-CD1 3.57Å; L1821-L1907 HydrophobicContact CD1-CD2 4.12Å; L1821-L1907 HydrophobicContact CD2-CD2 4.3Å; L1821-L1907 HydrophobicContact CG-CD2 4.32Å; L1903-L1907 PolarHBondContact O-N 3.41Å; H1904-L1907 PolarHBondContact O-N 3.05Å; L1907-Q1909 VanDerWaalsContact C-N 3.27Å; L1907-Q1909 PolarHBondContact O-N 3.27Å; L1907-I1910 PolarHBondContact O-N 3.47Å; L1907-F1911 PolarHBondContact O-N 3.17Å; L1907-F1911 VanDerWaalsContact O-N 3.08Å; L1907-L2044 HydrophobicContact CD2-CD1 4.31Å; L1907-L2044 HydrophobicContact CD2-CD2 4.32Å; L1907-L2044 HydrophobicContact CD2-CG 4.44Å; L1907-L2044 WeakPolarHBondContact O-CD2 2.82Å; L1907-L2051 HydrophobicContact CD1-CD1 4.1Å |
| 1908 | F | 90.7 | Very high | 88.1 | Confident | 81 Ų | 81 | 26.4 Ų | 26.4 | 36% | 0.355 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.8 | -36.4 | 174.7 | -176.1 | -106.6 | 0 | 0 | 0 | 111.9 | H1904 F1911 L1912 N2048 | H1904-F1908 WeakPolarHBondContact O-CB 3.21Å; H1904-F1908 PolarHBondContact O-N 3.12Å; F1908-F1911 HydrophobicContact CD2-CD1 4.16Å; F1908-F1911 AromaticContact CE2-CD1 3.96Å; F1908-F1911 HydrophobicContact CE2-CD1 3.96Å; F1908-F1911 HydrophobicContact CE2-CE1 4.3Å; F1908-F1911 WeakPolarHBondContact O-CB 3.26Å; F1908-F1911 PolarHBondContact O-N 3.3Å; F1908-L1912 HydrophobicContact CD1-CD1 4.12Å; F1908-L1912 HydrophobicContact CD1-CG 4.44Å; F1908-L1912 HydrophobicContact CE1-CD1 3.69Å; F1908-L1912 HydrophobicContact CE1-CD2 4.34Å; F1908-L1912 HydrophobicContact CE1-CG 4.06Å; F1908-L1912 HydrophobicContact CZ-CD1 4.31Å; F1908-L1912 HydrophobicContact CZ-CD2 4.13Å; F1908-L1912 HydrophobicContact CZ-CG 4.27Å; F1908-L1912 PolarHBondContact O-N 3.37Å; F1908-L1912 VanDerWaalsContact O-N 3.1Å; F1908-N2048 PolarHBondContact N-OD1 3.36Å |
| 1909 | Q | 92.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 177.4 | -160.3 | 63.5 | 31.5 | 0 | 0 | 112.2 | H1857 T1860 R1864 K1905 L1906 L1907 F1911 L1912 I1913 | H1857-Q1909 PolarHBondContact O-NE2 2.66Å; T1860-Q1909 HydrophobicContact CG2-CG 4.35Å; R1864-Q1909 VanDerWaalsContact NH1-OE1 3.13Å; K1905-Q1909 PolarHBondContact O-N 3.22Å; K1905-Q1909 VanDerWaalsContact O-N 3.17Å; L1906-Q1909 WeakPolarHBondContact O-CB 3.46Å; L1906-Q1909 PolarHBondContact O-N 3.38Å; L1907-Q1909 VanDerWaalsContact C-N 3.27Å; L1907-Q1909 PolarHBondContact O-N 3.27Å; Q1909-F1911 VanDerWaalsContact C-N 3.31Å; Q1909-F1911 PolarHBondContact O-N 3.33Å; Q1909-L1912 PolarHBondContact O-N 3.12Å; Q1909-I1913 WeakPolarHBondContact O-CG1 3.49Å; Q1909-I1913 PolarHBondContact O-N 3.09Å; Q1909-I1913 VanDerWaalsContact O-N 3.07Å |
| 1910 | I | 88 | Confident | 86.7 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64 | -37 | 172.5 | -67.8 | -168 | 0 | 0 | 0 | 111.7 | V1790 L1821 Y1861 L1906 L1907 I1913 S1914 | V1790-I1910 HydrophobicContact CB-CD1 3.76Å; V1790-I1910 HydrophobicContact CG1-CD1 3.8Å; V1790-I1910 HydrophobicContact CG2-CD1 3.64Å; L1821-I1910 HydrophobicContact CD2-CB 4.31Å; L1821-I1910 HydrophobicContact CD2-CD1 3.82Å; L1821-I1910 HydrophobicContact CD2-CG2 3.66Å; Y1861-I1910 HydrophobicContact CD2-CG1 4.02Å; Y1861-I1910 HydrophobicContact CE2-CD1 4.06Å; Y1861-I1910 HydrophobicContact CE2-CG1 3.96Å; L1906-I1910 PolarHBondContact O-N 2.73Å; L1906-I1910 VanDerWaalsContact O-N 3.14Å; L1907-I1910 PolarHBondContact O-N 3.47Å; I1910-I1913 PolarHBondContact O-N 3.44Å; I1910-S1914 WeakPolarHBondContact O-CB 3.33Å; I1910-S1914 PolarHBondContact O-N 3.4Å; I1910-S1914 PolarHBondContact O-OG 3.23Å |
| 1911 | F | 87.2 | Confident | 85.7 | Confident | 24 Ų | 24 | 28 Ų | 28 | 11% | 0.105 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.6 | -48.7 | 173 | 161.9 | -100.6 | 0 | 0 | 0 | 111.6 | L1907 F1908 Q1909 I1913 S1914 E1915 L2044 M2045 | L1907-F1911 PolarHBondContact O-N 3.17Å; L1907-F1911 VanDerWaalsContact O-N 3.08Å; F1908-F1911 HydrophobicContact CD2-CD1 4.16Å; F1908-F1911 AromaticContact CE2-CD1 3.96Å; F1908-F1911 HydrophobicContact CE2-CD1 3.96Å; F1908-F1911 HydrophobicContact CE2-CE1 4.3Å; F1908-F1911 WeakPolarHBondContact O-CB 3.26Å; F1908-F1911 PolarHBondContact O-N 3.3Å; Q1909-F1911 VanDerWaalsContact C-N 3.31Å; Q1909-F1911 PolarHBondContact O-N 3.33Å; F1911-I1913 VanDerWaalsContact C-N 3.33Å; F1911-I1913 PolarHBondContact O-N 3.17Å; F1911-S1914 PolarHBondContact O-N 3.31Å; F1911-S1914 VanDerWaalsContact O-N 3.12Å; F1911-E1915 PolarHBondContact O-N 2.82Å; F1911-L2044 HydrophobicContact CB-CD2 3.61Å; F1911-M2045 HydrophobicContact CD2-CB 4.17Å; F1911-M2045 HydrophobicContact CE2-CB 3.75Å; F1911-M2045 HydrophobicContact CE2-CG 4.19Å; F1911-M2045 HydrophobicContact CE2-SD 4.48Å; F1911-M2045 HydrophobicContact CZ-CB 4.31Å; F1911-M2045 HydrophobicContact CZ-CG 4.24Å; F1911-M2045 HydrophobicContact CZ-SD 4.31Å |
| 1912 | L | 89.2 | Confident | 84.8 | Confident | 35 Ų | 35 | 28.9 Ų | 28.9 | 18% | 0.183 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | 178.9 | -67.1 | 176.7 | 0 | 0 | 0 | 112.3 | F1908 Q1909 S1914 E1915 C1916 | F1908-L1912 HydrophobicContact CD1-CD1 4.12Å; F1908-L1912 HydrophobicContact CD1-CG 4.44Å; F1908-L1912 HydrophobicContact CE1-CD1 3.69Å; F1908-L1912 HydrophobicContact CE1-CD2 4.34Å; F1908-L1912 HydrophobicContact CE1-CG 4.06Å; F1908-L1912 HydrophobicContact CZ-CD1 4.31Å; F1908-L1912 HydrophobicContact CZ-CD2 4.13Å; F1908-L1912 HydrophobicContact CZ-CG 4.27Å; F1908-L1912 PolarHBondContact O-N 3.37Å; F1908-L1912 VanDerWaalsContact O-N 3.1Å; Q1909-L1912 PolarHBondContact O-N 3.12Å; L1912-S1914 VanDerWaalsContact C-N 3.34Å; L1912-S1914 PolarHBondContact O-N 2.7Å; L1912-E1915 PolarHBondContact O-N 3.38Å; L1912-C1916 WeakPolarHBondContact O-CB 3.43Å; L1912-C1916 PolarHBondContact O-N 3.36Å |
| 1913 | I | 86.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 174 | -66.3 | 168.6 | 0 | 0 | 0 | 109.8 | F1779 I1783 L1854 H1857 L1858 Y1861 Q1909 I1910 F1911 E1915 C1916 I1917 | F1779-I1913 HydrophobicContact CZ-CG2 3.97Å; I1783-I1913 HydrophobicContact CD1-CG2 3.57Å; L1854-I1913 HydrophobicContact CD1-CG2 4.01Å; H1857-I1913 HydrophobicContact CB-CG1 3.72Å; L1858-I1913 HydrophobicContact CD1-CD1 4.28Å; Y1861-I1913 HydrophobicContact CG-CD1 4.11Å; Q1909-I1913 WeakPolarHBondContact O-CG1 3.49Å; Q1909-I1913 PolarHBondContact O-N 3.09Å; Q1909-I1913 VanDerWaalsContact O-N 3.07Å; I1910-I1913 PolarHBondContact O-N 3.44Å; F1911-I1913 VanDerWaalsContact C-N 3.33Å; F1911-I1913 PolarHBondContact O-N 3.17Å; I1913-E1915 VanDerWaalsContact C-N 3.35Å; I1913-E1915 PolarHBondContact O-N 3.4Å; I1913-C1916 PolarHBondContact O-N 3.02Å; I1913-I1917 HydrophobicContact CG2-CD1 3.9Å; I1913-I1917 HydrophobicContact CG2-CG1 4.46Å; I1913-I1917 WeakPolarHBondContact O-CD1 3.47Å; I1913-I1917 WeakPolarHBondContact O-CG1 3.46Å; I1913-I1917 PolarHBondContact O-N 2.88Å |
| 1914 | S | 80.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | -178.5 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | I1910 F1911 L1912 G1918 C2041 | I1910-S1914 WeakPolarHBondContact O-CB 3.33Å; I1910-S1914 PolarHBondContact O-N 3.4Å; I1910-S1914 PolarHBondContact O-OG 3.23Å; F1911-S1914 PolarHBondContact O-N 3.31Å; F1911-S1914 VanDerWaalsContact O-N 3.12Å; L1912-S1914 VanDerWaalsContact C-N 3.34Å; L1912-S1914 PolarHBondContact O-N 2.7Å; S1914-G1918 PolarHBondContact O-N 2.97Å; S1914-C2041 WeakPolarHBondContact CB-SG 3.48Å |
| 1915 | E | 83.1 | Confident | 81.4 | Confident | 68 Ų | 68 | 32.6 Ų | 32.6 | 32% | 0.318 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 173.9 | -166.9 | -166.1 | 149.8 | 0 | 0 | 111.4 | F1911 L1912 I1913 I1917 G1918 K1919 | F1911-E1915 PolarHBondContact O-N 2.82Å; L1912-E1915 PolarHBondContact O-N 3.38Å; I1913-E1915 VanDerWaalsContact C-N 3.35Å; I1913-E1915 PolarHBondContact O-N 3.4Å; E1915-I1917 VanDerWaalsContact C-N 3.35Å; E1915-I1917 PolarHBondContact O-N 3.3Å; E1915-G1918 WeakPolarHBondContact O-CA 3.3Å; E1915-G1918 PolarHBondContact O-N 3.17Å; E1915-G1918 VanDerWaalsContact O-N 3.15Å; E1915-K1919 WeakPolarHBondContact O-CG 3.49Å; E1915-K1919 PolarHBondContact O-N 3Å; E1915-K1919 VanDerWaalsContact OE1-CE 3.28Å; E1915-K1919 WeakPolarHBondContact OE1-CE 3.43Å; E1915-K1919 IonicContact OE1-NZ 3.81Å |
| 1916 | C | 82.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 178.3 | -166.2 | 0 | 0 | 0 | 0 | 111.7 | L1854 L1912 I1913 G1918 K1919 V1920 | L1854-C1916 HydrophobicContact CD1-CB 3.96Å; L1912-C1916 WeakPolarHBondContact O-CB 3.43Å; L1912-C1916 PolarHBondContact O-N 3.36Å; I1913-C1916 PolarHBondContact O-N 3.02Å; C1916-G1918 VanDerWaalsContact C-N 3.32Å; C1916-G1918 PolarHBondContact O-N 3.41Å; C1916-K1919 WeakPolarHBondContact O-CB 3.5Å; C1916-K1919 PolarHBondContact O-N 2.61Å; C1916-K1919 VanDerWaalsContact O-N 3.17Å; C1916-V1920 WeakPolarHBondContact O-CG2 3.33Å; C1916-V1920 PolarHBondContact O-N 3.21Å |
| 1917 | I | 76.8 | Confident | 78.9 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 174.6 | -55.7 | 157.5 | 0 | 0 | 0 | 110.7 | F1779 I1783 F1827 L1854 I1913 E1915 K1919 V1920 H1921 | F1779-I1917 HydrophobicContact CD1-CG1 4.49Å; F1779-I1917 HydrophobicContact CE1-CD1 3.39Å; F1779-I1917 HydrophobicContact CE1-CG1 3.49Å; F1779-I1917 VanDerWaalsContact CE1-CG1 3.49Å; F1779-I1917 HydrophobicContact CZ-CD1 3.83Å; F1779-I1917 HydrophobicContact CZ-CG1 3.96Å; I1783-I1917 HydrophobicContact CD1-CD1 4.06Å; I1783-I1917 HydrophobicContact CG1-CD1 3.95Å; F1827-I1917 HydrophobicContact CD1-CG2 4.4Å; F1827-I1917 HydrophobicContact CE1-CG2 3.46Å; F1827-I1917 VanDerWaalsContact CE1-CG2 3.46Å; F1827-I1917 HydrophobicContact CE2-CB 4.4Å; F1827-I1917 HydrophobicContact CE2-CG2 3.85Å; F1827-I1917 HydrophobicContact CZ-CB 4.08Å; F1827-I1917 HydrophobicContact CZ-CG2 3.14Å; L1854-I1917 HydrophobicContact CD1-CG1 3.71Å; I1913-I1917 HydrophobicContact CG2-CD1 3.9Å; I1913-I1917 HydrophobicContact CG2-CG1 4.46Å; I1913-I1917 WeakPolarHBondContact O-CD1 3.47Å; I1913-I1917 WeakPolarHBondContact O-CG1 3.46Å; I1913-I1917 PolarHBondContact O-N 2.88Å; E1915-I1917 VanDerWaalsContact C-N 3.35Å; E1915-I1917 PolarHBondContact O-N 3.3Å; I1917-K1919 VanDerWaalsContact C-N 3.26Å; I1917-K1919 PolarHBondContact O-N 3.41Å; I1917-V1920 WeakPolarHBondContact O-CB 3.3Å; I1917-V1920 PolarHBondContact O-N 2.85Å; I1917-V1920 VanDerWaalsContact O-N 3.16Å; I1917-H1921 WeakPolarHBondContact O-CB 3.24Å; I1917-H1921 PolarHBondContact O-N 3.41Å |
| 1918 | G | 75.5 | Confident | 77.3 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1914 E1915 C1916 R1922 | S1914-G1918 PolarHBondContact O-N 2.97Å; E1915-G1918 WeakPolarHBondContact O-CA 3.3Å; E1915-G1918 PolarHBondContact O-N 3.17Å; E1915-G1918 VanDerWaalsContact O-N 3.15Å; C1916-G1918 VanDerWaalsContact C-N 3.32Å; C1916-G1918 PolarHBondContact O-N 3.41Å; G1918-R1922 PolarHBondContact O-N 3.04Å |
| 1919 | K | 79.4 | Confident | 75.4 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 26% | 0.261 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 173.6 | -65.2 | 172.2 | -170 | 168.3 | 0 | 111.9 | Y1850 E1853 E1915 C1916 I1917 H1921 R1922 F1923 | Y1850-K1919 HydrophobicContact CD1-CB 4.42Å; Y1850-K1919 HydrophobicContact CE1-CB 4.14Å; E1853-K1919 IonicContact OE1-NZ 2.89Å; E1853-K1919 PolarHBondContact OE1-NZ 2.95Å; E1915-K1919 WeakPolarHBondContact O-CG 3.49Å; E1915-K1919 PolarHBondContact O-N 3Å; E1915-K1919 VanDerWaalsContact OE1-CE 3.28Å; E1915-K1919 WeakPolarHBondContact OE1-CE 3.43Å; E1915-K1919 IonicContact OE1-NZ 3.81Å; C1916-K1919 WeakPolarHBondContact O-CB 3.5Å; C1916-K1919 PolarHBondContact O-N 2.61Å; C1916-K1919 VanDerWaalsContact O-N 3.17Å; I1917-K1919 VanDerWaalsContact C-N 3.26Å; I1917-K1919 PolarHBondContact O-N 3.41Å; K1919-H1921 VanDerWaalsContact C-N 3.35Å; K1919-H1921 PolarHBondContact O-N 3.05Å; K1919-R1922 PolarHBondContact O-N 2.83Å; K1919-F1923 WeakPolarHBondContact O-CB 3.46Å; K1919-F1923 PolarHBondContact O-N 2.91Å |
| 1920 | V | 74 | Confident | 73.8 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | Y1850 C1916 I1917 R1922 F1923 V1924 | Y1850-V1920 HydrophobicContact CG-CG2 4.2Å; C1916-V1920 WeakPolarHBondContact O-CG2 3.33Å; C1916-V1920 PolarHBondContact O-N 3.21Å; I1917-V1920 WeakPolarHBondContact O-CB 3.3Å; I1917-V1920 PolarHBondContact O-N 2.85Å; I1917-V1920 VanDerWaalsContact O-N 3.16Å; V1920-R1922 PolarHBondContact O-N 2.95Å; V1920-F1923 PolarHBondContact O-N 3.43Å; V1920-V1924 HydrophobicContact CG1-CG2 4.39Å; V1920-V1924 WeakPolarHBondContact O-CG2 3.44Å; V1920-V1924 PolarHBondContact O-N 2.96Å |
| 1921 | H | 71.2 | Confident | 72.4 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | -177.8 | -169.2 | -85 | 0 | 0 | 0 | 112.2 | I1917 K1919 V1924 M1925 I2030 | I1917-H1921 WeakPolarHBondContact O-CB 3.24Å; I1917-H1921 PolarHBondContact O-N 3.41Å; K1919-H1921 VanDerWaalsContact C-N 3.35Å; K1919-H1921 PolarHBondContact O-N 3.05Å; H1921-V1924 PolarHBondContact O-N 2.88Å; H1921-M1925 VanDerWaalsContact O-CG 3.3Å; H1921-M1925 WeakPolarHBondContact O-CG 3.31Å; H1921-M1925 PolarHBondContact O-N 2.9Å; H1921-I2030 VanDerWaalsContact NE2-CD1 3.35Å; H1921-I2030 WeakPolarHBondContact NE2-CD1 3.44Å |
| 1922 | R | 73.7 | Confident | 71.3 | Confident | 121 Ų | 121 | 47 Ų | 47 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.6 | -79.3 | -169.7 | -114.1 | 116.4 | 1.6 | 111.9 | G1918 K1919 V1920 V1924 M1925 D1926 E2038 | G1918-R1922 PolarHBondContact O-N 3.04Å; K1919-R1922 PolarHBondContact O-N 2.83Å; V1920-R1922 PolarHBondContact O-N 2.95Å; R1922-V1924 VanDerWaalsContact C-N 3.34Å; R1922-V1924 PolarHBondContact O-N 3.05Å; R1922-M1925 PolarHBondContact O-N 3.32Å; R1922-D1926 WeakPolarHBondContact O-CB 3.35Å; R1922-D1926 PolarHBondContact O-N 2.84Å; R1922-E2038 IonicContact CZ-OE1 3.41Å; R1922-E2038 IonicContact NE-OE1 2.81Å; R1922-E2038 PolarHBondContact NE-OE1 3.12Å; R1922-E2038 VanDerWaalsContact NE-OE1 3.1Å; R1922-E2038 IonicContact NH2-OE1 3.07Å |
| 1923 | F | 71.7 | Confident | 70.4 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.9 | 174 | -106 | 0 | 0 | 0 | 112.6 | L1843 R1846 H1847 Y1850 K1919 V1920 M1925 D1926 S1927 | L1843-F1923 HydrophobicContact CD2-CE1 4.44Å; L1843-F1923 HydrophobicContact CD2-CE2 4.32Å; L1843-F1923 HydrophobicContact CD2-CZ 3.69Å; R1846-F1923 HydrophobicContact CB-CE1 4.26Å; R1846-F1923 HydrophobicContact CB-CE2 4.16Å; R1846-F1923 HydrophobicContact CB-CZ 3.66Å; R1846-F1923 HydrophobicContact CG-CE2 3.85Å; R1846-F1923 HydrophobicContact CG-CZ 3.85Å; H1847-F1923 HydrophobicContact CB-CE1 4.21Å; Y1850-F1923 HydrophobicContact CD2-CB 4.36Å; Y1850-F1923 HydrophobicContact CD2-CD1 4.1Å; Y1850-F1923 HydrophobicContact CD2-CG 4.18Å; Y1850-F1923 HydrophobicContact CE2-CB 3.8Å; Y1850-F1923 AromaticContact CE2-CD1 3.98Å; Y1850-F1923 HydrophobicContact CE2-CD1 3.98Å; Y1850-F1923 AromaticContact CE2-CD2 3.98Å; Y1850-F1923 HydrophobicContact CE2-CD2 3.98Å; Y1850-F1923 AromaticContact CE2-CG 3.63Å; Y1850-F1923 HydrophobicContact CE2-CG 3.63Å; K1919-F1923 WeakPolarHBondContact O-CB 3.46Å; K1919-F1923 PolarHBondContact O-N 2.91Å; V1920-F1923 PolarHBondContact O-N 3.43Å; F1923-M1925 VanDerWaalsContact C-N 3.34Å; F1923-D1926 PolarHBondContact O-N 3.12Å; F1923-S1927 WeakPolarHBondContact O-CB 3.39Å; F1923-S1927 PolarHBondContact O-N 2.98Å; F1923-S1927 PolarHBondContact O-OG 2.98Å |
| 1924 | V | 66.9 | Low | 69.8 | Low | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.1 | 170 | 0 | 0 | 0 | 0 | 111.2 | L1830 L1832 V1920 H1921 R1922 S1927 | L1830-V1924 HydrophobicContact CD1-CG1 4.27Å; L1832-V1924 HydrophobicContact CD1-CB 4.5Å; L1832-V1924 HydrophobicContact CD1-CG1 3.77Å; L1832-V1924 HydrophobicContact CD1-CG2 3.83Å; L1832-V1924 HydrophobicContact CD2-CG1 3.52Å; L1832-V1924 HydrophobicContact CG-CG1 4.05Å; V1920-V1924 HydrophobicContact CG1-CG2 4.39Å; V1920-V1924 WeakPolarHBondContact O-CG2 3.44Å; V1920-V1924 PolarHBondContact O-N 2.96Å; H1921-V1924 PolarHBondContact O-N 2.88Å; R1922-V1924 VanDerWaalsContact C-N 3.34Å; R1922-V1924 PolarHBondContact O-N 3.05Å; V1924-S1927 PolarHBondContact O-OG 3.18Å |
| 1925 | M | 66.7 | Low | 69.6 | Low | 80 Ų | 80 | 51.5 Ų | 51.5 | 39% | 0.394 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 177 | -71.1 | -61.1 | -68.4 | 0 | 0 | 113.2 | H1921 R1922 F1923 S1927 A1928 I2030 | H1921-M1925 VanDerWaalsContact O-CG 3.3Å; H1921-M1925 WeakPolarHBondContact O-CG 3.31Å; H1921-M1925 PolarHBondContact O-N 2.9Å; R1922-M1925 PolarHBondContact O-N 3.32Å; F1923-M1925 VanDerWaalsContact C-N 3.34Å; M1925-S1927 VanDerWaalsContact C-N 3.3Å; M1925-S1927 PolarHBondContact O-N 2.85Å; M1925-A1928 PolarHBondContact O-N 2.97Å; M1925-I2030 HydrophobicContact CE-CD1 4.31Å; M1925-I2030 HydrophobicContact CG-CD1 4.02Å; M1925-I2030 HydrophobicContact SD-CD1 3.12Å; M1925-I2030 WeakPolarHBondContact SD-CD1 3.24Å |
| 1926 | D | 68.7 | Low | 69.3 | Low | 126 Ų | 126 | 55.1 Ų | 55.1 | 67% | 0.674 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.2 | -25.2 | -178.8 | -67 | -18.5 | 0 | 0 | 0 | 112.2 | R1922 F1923 | R1922-D1926 WeakPolarHBondContact O-CB 3.35Å; R1922-D1926 PolarHBondContact O-N 2.84Å; F1923-D1926 PolarHBondContact O-N 3.12Å |
| 1927 | S | 63.2 | Low | 69.1 | Low | 43 Ų | 43 | 57.9 Ų | 57.9 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -85.3 | -8.3 | 179.1 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | L1843 F1923 V1924 M1925 D1929 | L1843-S1927 VanDerWaalsContact CD2-CB 3.4Å; F1923-S1927 WeakPolarHBondContact O-CB 3.39Å; F1923-S1927 PolarHBondContact O-N 2.98Å; F1923-S1927 PolarHBondContact O-OG 2.98Å; V1924-S1927 PolarHBondContact O-OG 3.18Å; M1925-S1927 VanDerWaalsContact C-N 3.3Å; M1925-S1927 PolarHBondContact O-N 2.85Å; S1927-D1929 VanDerWaalsContact C-N 3.31Å; S1927-D1929 PolarHBondContact O-N 3.47Å |
| 1928 | A | 55.8 | Low | 69.2 | Low | 15 Ų | 15 | 57.3 Ų | 57.3 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | trans | -87.8 | 23.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | M1925 G1930 E1931 | M1925-A1928 PolarHBondContact O-N 2.97Å; A1928-G1930 PolarHBondContact O-N 2.84Å; A1928-E1931 HydrophobicContact CB-CB 4.42Å; A1928-E1931 PolarHBondContact O-N 3.26Å | ||
| 1929 | D | 50.7 | Low | 69.3 | Low | 167 Ų | 167 | 57.8 Ų | 57.8 | 89% | 0.893 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 73.9 | 174 | -88 | -19.8 | 0 | 0 | 0 | 111.2 | S1927 | S1927-D1929 VanDerWaalsContact C-N 3.31Å; S1927-D1929 PolarHBondContact O-N 3.47Å |
| 1930 | G | 58.1 | Low | 69.5 | Low | 78 Ų | 78 | 58.9 Ų | 58.9 | 80% | 0.804 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 146.1 | -14.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1928 | A1928-G1930 PolarHBondContact O-N 2.84Š|
| 1931 | E | 59 | Low | 69.9 | Low | 39 Ų | 39 | 58.4 Ų | 58.4 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -86.6 | 143.4 | 179.6 | -57.3 | -164.2 | 153.4 | 0 | 0 | 111.4 | A1928 D1933 Q2026 H2028 | A1928-E1931 HydrophobicContact CB-CB 4.42Å; A1928-E1931 PolarHBondContact O-N 3.26Å; E1931-D1933 PolarHBondContact O-N 2.98Å; E1931-Q2026 HydrophobicContact CG-CB 3.98Å; E1931-H2028 IonicContact OE2-ND1 3.74Å |
| 1932 | A | 63.3 | Low | 70.5 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 118.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1934 Q2026 F2027 H2028 | A1932-L1934 PolarHBondContact O-N 3.34Å; A1932-Q2026 PolarHBondContact N-O 3.28Å; A1932-F2027 HydrophobicContact CB-CB 4.33Å; A1932-F2027 WeakPolarHBondContact O-CA 3.33Å; A1932-F2027 VanDerWaalsContact O-CB 3.24Å; A1932-F2027 WeakPolarHBondContact O-CB 3.49Å; A1932-H2028 PolarHBondContact O-N 3.17Å |
| 1933 | D | 70.9 | Confident | 70.9 | Confident | 97 Ų | 97 | 60.9 Ų | 60.9 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 103.8 | 170.7 | -179.1 | 7.9 | 0 | 0 | 0 | 109.7 | E1931 S1935 H2028 | E1931-D1933 PolarHBondContact O-N 2.98Å; D1933-S1935 WeakPolarHBondContact OD1-CB 3.15Å; D1933-S1935 PolarHBondContact OD1-N 3.29Å; D1933-S1935 PolarHBondContact OD1-OG 3.25Å; D1933-H2028 IonicContact OD1-NE2 3.45Å |
| 1934 | L | 73.3 | Confident | 71.6 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | trans | -98.8 | 12 | 175.5 | -63.1 | -177.4 | 0 | 0 | 0 | 112.2 | A1932 Q1936 E1937 I1938 L2020 F2027 H2028 | A1932-L1934 PolarHBondContact O-N 3.34Å; L1934-Q1936 VanDerWaalsContact C-N 3.26Å; L1934-Q1936 PolarHBondContact O-N 3.2Å; L1934-E1937 PolarHBondContact O-N 3.49Å; L1934-E1937 VanDerWaalsContact O-N 3.13Å; L1934-I1938 HydrophobicContact CB-CD1 4.03Å; L1934-I1938 HydrophobicContact CB-CG1 4.45Å; L1934-I1938 WeakPolarHBondContact O-CG1 3.28Å; L1934-I1938 PolarHBondContact O-N 2.88Å; L1934-L2020 HydrophobicContact CD1-CD1 3.93Å; L1934-F2027 HydrophobicContact CB-CD2 4.04Å; L1934-F2027 HydrophobicContact CD1-CB 3.99Å; L1934-F2027 HydrophobicContact CD1-CD1 4.33Å; L1934-F2027 HydrophobicContact CD1-CD2 3.67Å; L1934-F2027 HydrophobicContact CD1-CE2 4.21Å; L1934-F2027 HydrophobicContact CD1-CG 3.74Å; L1934-F2027 HydrophobicContact CG-CB 4.2Å; L1934-F2027 HydrophobicContact CG-CD2 4.09Å; L1934-F2027 HydrophobicContact CG-CG 4.32Å; L1934-H2028 PolarHBondContact N-O 2.84Å | ||
| 1935 | S | 76.2 | Confident | 72.5 | Confident | 16 Ų | 16 | 63 Ų | 63 | 11% | 0.112 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54 | -43.1 | -178.6 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | D1933 A1939 A2029 I2030 | D1933-S1935 WeakPolarHBondContact OD1-CB 3.15Å; D1933-S1935 PolarHBondContact OD1-N 3.29Å; D1933-S1935 PolarHBondContact OD1-OG 3.25Å; S1935-A1939 WeakPolarHBondContact O-CB 3.09Å; S1935-A1939 PolarHBondContact O-N 2.89Å; S1935-A2029 WeakPolarHBondContact OG-CA 3.48Å; S1935-I2030 WeakPolarHBondContact CB-O 3.11Å; S1935-I2030 PolarHBondContact OG-N 3.47Å |
| 1936 | Q | 77.8 | Confident | 73.2 | Confident | 144 Ų | 144 | 62.7 Ų | 62.7 | 67% | 0.673 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.2 | -41.1 | -179.9 | -174 | 165 | -7.9 | 0 | 0 | 112.5 | L1934 A1939 E1940 | L1934-Q1936 VanDerWaalsContact C-N 3.26Å; L1934-Q1936 PolarHBondContact O-N 3.2Å; Q1936-A1939 PolarHBondContact O-N 3.42Å; Q1936-E1940 WeakPolarHBondContact O-CG 3.22Å; Q1936-E1940 PolarHBondContact O-N 3.43Å |
| 1937 | E | 78.2 | Confident | 73.9 | Confident | 59 Ų | 59 | 60 Ų | 60 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 179.4 | -177 | 174.6 | -178.1 | 0 | 0 | 111.5 | L1934 E1940 L1941 K1979 Y2016 | L1934-E1937 PolarHBondContact O-N 3.49Å; L1934-E1937 VanDerWaalsContact O-N 3.13Å; E1937-E1940 PolarHBondContact O-N 3.5Å; E1937-L1941 PolarHBondContact O-N 3.45Å; E1937-L1941 VanDerWaalsContact O-N 3.08Å; E1937-K1979 WeakPolarHBondContact OE1-CE 3.37Å; E1937-K1979 IonicContact OE1-NZ 3.52Å; E1937-K1979 PolarHBondContact OE1-NZ 3.21Å; E1937-Y2016 PolarHBondContact OE1-OH 2.94Å |
| 1938 | I | 79.5 | Confident | 74.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -76.1 | -32.4 | 179.9 | -61 | 167.5 | 0 | 0 | 0 | 110.3 | L1934 L1941 H1942 L2013 Y2016 L2020 F2027 A2029 I2031 | L1934-I1938 HydrophobicContact CB-CD1 4.03Å; L1934-I1938 HydrophobicContact CB-CG1 4.45Å; L1934-I1938 WeakPolarHBondContact O-CG1 3.28Å; L1934-I1938 PolarHBondContact O-N 2.88Å; I1938-L1941 PolarHBondContact O-N 3.26Å; I1938-H1942 VanDerWaalsContact O-CB 3.29Å; I1938-H1942 WeakPolarHBondContact O-CB 3.5Å; I1938-H1942 PolarHBondContact O-N 3.49Å; I1938-L2013 HydrophobicContact CG2-CD2 3.7Å; I1938-Y2016 HydrophobicContact CG1-CD1 4.39Å; I1938-Y2016 HydrophobicContact CG1-CE1 4.25Å; I1938-L2020 HydrophobicContact CD1-CD1 4.23Å; I1938-L2020 HydrophobicContact CG1-CD1 4.42Å; I1938-F2027 HydrophobicContact CD1-CE2 3.91Å; I1938-A2029 HydrophobicContact CB-CB 4.41Å; I1938-A2029 HydrophobicContact CD1-CB 3.29Å; I1938-A2029 HydrophobicContact CG1-CB 4.36Å; I1938-I2031 HydrophobicContact CB-CD1 4.34Å; I1938-I2031 HydrophobicContact CG2-CD1 3.38Å; I1938-I2031 HydrophobicContact CG2-CG1 4.07Å |
| 1939 | A | 78.1 | Confident | 76.2 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 21% | 0.207 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -35.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1935 Q1936 R1943 I2031 | S1935-A1939 WeakPolarHBondContact O-CB 3.09Å; S1935-A1939 PolarHBondContact O-N 2.89Å; Q1936-A1939 PolarHBondContact O-N 3.42Å; A1939-R1943 WeakPolarHBondContact O-CB 3.45Å; A1939-R1943 PolarHBondContact O-N 2.93Å; A1939-I2031 HydrophobicContact CB-CG2 4.34Å |
| 1940 | E | 81.8 | Confident | 77.5 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.2 | -48 | 170.6 | -76 | 174.4 | -172 | 0 | 0 | 110.9 | Q1936 E1937 H1942 R1943 D1944 | Q1936-E1940 WeakPolarHBondContact O-CG 3.22Å; Q1936-E1940 PolarHBondContact O-N 3.43Å; E1937-E1940 PolarHBondContact O-N 3.5Å; E1940-H1942 PolarHBondContact O-N 2.68Å; E1940-R1943 WeakPolarHBondContact O-CB 3.4Å; E1940-R1943 PolarHBondContact O-N 2.65Å; E1940-D1944 PolarHBondContact O-N 3Å |
| 1941 | L | 83.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175.5 | -179.2 | 64.4 | 0 | 0 | 0 | 112.4 | E1937 I1938 R1943 D1944 L1945 I1976 L2013 Y2016 | E1937-L1941 PolarHBondContact O-N 3.45Å; E1937-L1941 VanDerWaalsContact O-N 3.08Å; I1938-L1941 PolarHBondContact O-N 3.26Å; L1941-R1943 VanDerWaalsContact C-N 3.31Å; L1941-R1943 PolarHBondContact O-N 3.05Å; L1941-D1944 PolarHBondContact O-N 3.47Å; L1941-L1945 HydrophobicContact CD1-CD1 4.33Å; L1941-L1945 HydrophobicContact CD1-CG 4.21Å; L1941-L1945 HydrophobicContact CG-CD1 3.97Å; L1941-L1945 HydrophobicContact CG-CG 4.3Å; L1941-L1945 WeakPolarHBondContact O-CB 3.36Å; L1941-L1945 VanDerWaalsContact O-CG 3.29Å; L1941-L1945 WeakPolarHBondContact O-CG 3.46Å; L1941-L1945 PolarHBondContact O-N 2.93Å; L1941-I1976 HydrophobicContact CD1-CD1 4.24Å; L1941-I1976 HydrophobicContact CD2-CD1 4.34Å; L1941-I1976 HydrophobicContact CD2-CG1 4.49Å; L1941-L2013 HydrophobicContact CD2-CD2 4.23Å; L1941-L2013 HydrophobicContact CG-CD2 4.35Å; L1941-Y2016 HydrophobicContact CD2-CD1 3.35Å; L1941-Y2016 HydrophobicContact CD2-CD2 3.85Å; L1941-Y2016 HydrophobicContact CD2-CE1 3.73Å; L1941-Y2016 HydrophobicContact CD2-CE2 4.2Å; L1941-Y2016 HydrophobicContact CD2-CG 3.41Å; L1941-Y2016 VanDerWaalsContact CD2-CG 3.41Å |
| 1942 | H | 82.2 | Confident | 79.1 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 176.2 | -179.9 | -128.5 | 0 | 0 | 0 | 111.1 | I1938 E1940 L1945 L1946 V2009 L2013 I2031 | I1938-H1942 VanDerWaalsContact O-CB 3.29Å; I1938-H1942 WeakPolarHBondContact O-CB 3.5Å; I1938-H1942 PolarHBondContact O-N 3.49Å; E1940-H1942 PolarHBondContact O-N 2.68Å; H1942-L1945 PolarHBondContact O-N 3.29Å; H1942-L1946 VanDerWaalsContact CE1-CD1 3.47Å; H1942-L1946 WeakPolarHBondContact CE1-CD1 3.38Å; H1942-L1946 WeakPolarHBondContact O-CB 3.47Å; H1942-L1946 VanDerWaalsContact O-CG 3.32Å; H1942-L1946 WeakPolarHBondContact O-CG 3.45Å; H1942-L1946 PolarHBondContact O-N 3.46Å; H1942-V2009 VanDerWaalsContact CD2-CG1 3.4Å; H1942-V2009 WeakPolarHBondContact CD2-CG1 3.32Å; H1942-L2013 HydrophobicContact CB-CD1 4.15Å; H1942-L2013 HydrophobicContact CB-CD2 4.19Å; H1942-L2013 VanDerWaalsContact CD2-CD1 3.49Å; H1942-L2013 WeakPolarHBondContact CD2-CD1 3.47Å; H1942-I2031 HydrophobicContact CB-CD1 4.29Å; H1942-I2031 HydrophobicContact CB-CG2 4.11Å; H1942-I2031 WeakPolarHBondContact ND1-CG2 3.27Å |
| 1943 | R | 82.9 | Confident | 78.9 | Confident | 144 Ų | 144 | 58.9 Ų | 58.9 | 54% | 0.543 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.6 | -165.8 | -174.7 | -55.8 | 122.9 | 4.5 | 111.5 | A1939 E1940 L1941 L1946 C1947 | A1939-R1943 WeakPolarHBondContact O-CB 3.45Å; A1939-R1943 PolarHBondContact O-N 2.93Å; E1940-R1943 WeakPolarHBondContact O-CB 3.4Å; E1940-R1943 PolarHBondContact O-N 2.65Å; L1941-R1943 VanDerWaalsContact C-N 3.31Å; L1941-R1943 PolarHBondContact O-N 3.05Å; R1943-L1946 PolarHBondContact O-N 2.93Å; R1943-C1947 WeakPolarHBondContact O-CB 3.47Å; R1943-C1947 PolarHBondContact O-N 3.38Å; R1943-C1947 PolarHBondContact O-SG 3.34Å; R1943-C1947 VanDerWaalsContact O-SG 3.42Å |
| 1944 | D | 85.8 | Confident | 78.3 | Confident | 81 Ų | 81 | 58 Ų | 58 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.7 | -69.8 | -14.6 | 0 | 0 | 0 | 111.9 | E1940 L1941 C1947 A1948 A1981 | E1940-D1944 PolarHBondContact O-N 3Å; L1941-D1944 PolarHBondContact O-N 3.47Å; D1944-C1947 PolarHBondContact O-N 3.13Å; D1944-A1948 VanDerWaalsContact O-CB 3.27Å; D1944-A1948 WeakPolarHBondContact O-CB 3.41Å; D1944-A1948 PolarHBondContact O-N 3.13Å; D1944-A1981 HydrophobicContact CB-CB 4.34Å |
| 1945 | L | 86.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 174.1 | -74.8 | 171.7 | 0 | 0 | 0 | 111.9 | L1941 H1942 A1948 A1949 I1976 A1981 L1985 V2009 L2012 L2013 | L1941-L1945 HydrophobicContact CD1-CD1 4.33Å; L1941-L1945 HydrophobicContact CD1-CG 4.21Å; L1941-L1945 HydrophobicContact CG-CD1 3.97Å; L1941-L1945 HydrophobicContact CG-CG 4.3Å; L1941-L1945 WeakPolarHBondContact O-CB 3.36Å; L1941-L1945 VanDerWaalsContact O-CG 3.29Å; L1941-L1945 WeakPolarHBondContact O-CG 3.46Å; L1941-L1945 PolarHBondContact O-N 2.93Å; H1942-L1945 PolarHBondContact O-N 3.29Å; L1945-A1948 PolarHBondContact O-N 3.27Å; L1945-A1949 WeakPolarHBondContact O-CB 3.37Å; L1945-A1949 PolarHBondContact O-N 2.94Å; L1945-I1976 HydrophobicContact CD1-CD1 4.44Å; L1945-I1976 HydrophobicContact CD2-CD1 4.2Å; L1945-A1981 HydrophobicContact CD2-CB 3.82Å; L1945-A1981 HydrophobicContact CG-CB 4.32Å; L1945-L1985 HydrophobicContact CD2-CD1 4.48Å; L1945-L1985 HydrophobicContact CD2-CG 4.25Å; L1945-V2009 HydrophobicContact CB-CG1 3.98Å; L1945-V2009 HydrophobicContact CB-CG2 4.27Å; L1945-V2009 HydrophobicContact CD1-CG1 4.38Å; L1945-L2012 HydrophobicContact CD1-CB 3.97Å; L1945-L2012 HydrophobicContact CD2-CB 4.27Å; L1945-L2012 HydrophobicContact CD2-CD1 3.59Å; L1945-L2013 HydrophobicContact CD1-CD2 4.11Å; L1945-L2013 HydrophobicContact CD1-CG 4.08Å |
| 1946 | L | 82.1 | Confident | 75.8 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 175.2 | -77.4 | 171.5 | 0 | 0 | 0 | 111.9 | H1942 R1943 N1950 V2009 | H1942-L1946 VanDerWaalsContact CE1-CD1 3.47Å; H1942-L1946 WeakPolarHBondContact CE1-CD1 3.38Å; H1942-L1946 WeakPolarHBondContact O-CB 3.47Å; H1942-L1946 VanDerWaalsContact O-CG 3.32Å; H1942-L1946 WeakPolarHBondContact O-CG 3.45Å; H1942-L1946 PolarHBondContact O-N 3.46Å; R1943-L1946 PolarHBondContact O-N 2.93Å; L1946-N1950 WeakPolarHBondContact O-CB 3.39Å; L1946-N1950 VanDerWaalsContact O-CG 3.29Å; L1946-N1950 PolarHBondContact O-N 3.35Å; L1946-N1950 PolarHBondContact O-ND2 3.33Å; L1946-V2009 HydrophobicContact CD2-CG1 4.47Å; L1946-V2009 HydrophobicContact CD2-CG2 4.22Å; L1946-V2009 HydrophobicContact CG-CG1 4.38Å |
| 1947 | C | 83.9 | Confident | 74 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 47% | 0.466 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 173.8 | -77 | 0 | 0 | 0 | 0 | 111.3 | R1943 D1944 N1950 D1951 | R1943-C1947 WeakPolarHBondContact O-CB 3.47Å; R1943-C1947 PolarHBondContact O-N 3.38Å; R1943-C1947 PolarHBondContact O-SG 3.34Å; R1943-C1947 VanDerWaalsContact O-SG 3.42Å; D1944-C1947 PolarHBondContact O-N 3.13Å; C1947-N1950 PolarHBondContact O-N 2.9Å; C1947-D1951 PolarHBondContact O-N 2.95Å |
| 1948 | A | 84 | Confident | 72.4 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | D1944 L1945 D1951 L1952 A1981 L1985 | D1944-A1948 VanDerWaalsContact O-CB 3.27Å; D1944-A1948 WeakPolarHBondContact O-CB 3.41Å; D1944-A1948 PolarHBondContact O-N 3.13Å; L1945-A1948 PolarHBondContact O-N 3.27Å; A1948-D1951 PolarHBondContact O-N 2.67Å; A1948-L1952 WeakPolarHBondContact O-CB 3.37Å; A1948-L1952 WeakPolarHBondContact O-CD1 3.47Å; A1948-L1952 WeakPolarHBondContact O-CG 3.38Å; A1948-L1952 PolarHBondContact O-N 3.23Å; A1948-A1981 HydrophobicContact CB-CB 3.97Å; A1948-L1985 HydrophobicContact CB-CD1 3.72Å |
| 1949 | A | 81.7 | Confident | 70.7 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 17% | 0.174 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1945 L1952 G1953 L1985 V2009 | L1945-A1949 WeakPolarHBondContact O-CB 3.37Å; L1945-A1949 PolarHBondContact O-N 2.94Å; A1949-L1952 PolarHBondContact O-N 3.41Å; A1949-G1953 PolarHBondContact O-N 3.22Å; A1949-L1985 HydrophobicContact CB-CD1 4.01Å; A1949-V2009 HydrophobicContact CB-CG2 4.16Å |
| 1950 | N | 78.6 | Confident | 69 | Low | 125 Ų | 125 | 81.3 Ų | 81.3 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 173.8 | -75.5 | -25.6 | 0 | 0 | 0 | 112.1 | L1946 C1947 L1952 G1953 | L1946-N1950 WeakPolarHBondContact O-CB 3.39Å; L1946-N1950 VanDerWaalsContact O-CG 3.29Å; L1946-N1950 PolarHBondContact O-N 3.35Å; L1946-N1950 PolarHBondContact O-ND2 3.33Å; C1947-N1950 PolarHBondContact O-N 2.9Å; N1950-L1952 VanDerWaalsContact C-N 3.31Å; N1950-L1952 PolarHBondContact O-N 2.96Å; N1950-G1953 PolarHBondContact O-N 3.35Å |
| 1951 | D | 77 | Confident | 67.4 | Low | 140 Ų | 140 | 85.1 Ų | 85.1 | 75% | 0.749 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.1 | -30.1 | 177.4 | -74.6 | -16.3 | 0 | 0 | 0 | 113 | C1947 A1948 G1953 | C1947-D1951 PolarHBondContact O-N 2.95Å; A1948-D1951 PolarHBondContact O-N 2.67Å; D1951-G1953 VanDerWaalsContact C-N 3.34Å |
| 1952 | L | 74.5 | Confident | 65.4 | Low | 5 Ų | 5 | 90.8 Ų | 90.8 | 3% | 0.026 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.1 | 177.4 | -80.1 | 161.5 | 0 | 0 | 0 | 113.6 | A1948 A1949 N1950 G1954 C1955 R1982 L1985 L1986 | A1948-L1952 WeakPolarHBondContact O-CB 3.37Å; A1948-L1952 WeakPolarHBondContact O-CD1 3.47Å; A1948-L1952 WeakPolarHBondContact O-CG 3.38Å; A1948-L1952 PolarHBondContact O-N 3.23Å; A1949-L1952 PolarHBondContact O-N 3.41Å; N1950-L1952 VanDerWaalsContact C-N 3.31Å; N1950-L1952 PolarHBondContact O-N 2.96Å; L1952-G1954 VanDerWaalsContact C-N 3.33Å; L1952-G1954 PolarHBondContact O-N 2.88Å; L1952-C1955 HydrophobicContact CD2-CB 4.49Å; L1952-C1955 PolarHBondContact O-N 3.28Å; L1952-C1955 VanDerWaalsContact O-N 3.08Å; L1952-R1982 HydrophobicContact CD1-CG 4.24Å; L1952-L1985 HydrophobicContact CD1-CB 3.81Å; L1952-L1985 HydrophobicContact CD1-CD1 3.93Å; L1952-L1986 HydrophobicContact CD1-CG 4.39Å; L1952-L1986 HydrophobicContact CD2-CD1 4.36Å; L1952-L1986 HydrophobicContact CD2-CD2 3.73Å; L1952-L1986 HydrophobicContact CD2-CG 4.04Å |
| 1953 | G | 58.2 | Low | 63.6 | Low | 64 Ų | 64 | 94.1 Ų | 94.1 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 88 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1949 N1950 D1951 | A1949-G1953 PolarHBondContact O-N 3.22Å; N1950-G1953 PolarHBondContact O-N 3.35Å; D1951-G1953 VanDerWaalsContact C-N 3.34Å |
| 1954 | G | 59.5 | Low | 62.2 | Low | 80 Ų | 80 | 91.5 Ų | 91.5 | 83% | 0.825 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.7 | -9.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1952 | L1952-G1954 VanDerWaalsContact C-N 3.33Å; L1952-G1954 PolarHBondContact O-N 2.88Å |
| 1955 | C | 47 | Very low | 60.5 | Low | 81 Ų | 81 | 93.6 Ų | 93.6 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | trans | -96.2 | 100.1 | 178.8 | -75 | 0 | 0 | 0 | 0 | 112 | L1952 | L1952-C1955 HydrophobicContact CD2-CB 4.49Å; L1952-C1955 PolarHBondContact O-N 3.28Å; L1952-C1955 VanDerWaalsContact O-N 3.08Å | ||
| 1956 | S | 48.7 | Very low | 58.8 | Low | 114 Ų | 114 | 97 Ų | 97 | 80% | 0.797 | 60% | 0.598 | S | S | * | * | trans | -93.8 | 7.5 | 175.1 | -166.1 | 0 | 0 | 0 | 0 | 113.9 | T1958 | S1956-T1958 PolarHBondContact O-N 3.04Š| ||
| 1957 | E | 40 | Very low | 57.9 | Low | 190 Ų | 190 | 95.9 Ų | 95.9 | 89% | 0.888 | 60% | 0.597 | S | S | * | * | trans | -87.9 | 88.4 | -176.6 | -68.9 | -172.3 | 172.8 | 0 | 0 | 112 | ||||
| 1958 | T | 45.3 | Very low | 57.4 | Low | 63 Ų | 63 | 95.5 Ų | 95.5 | 39% | 0.387 | 59% | 0.593 | S | S | . | * | trans | -90.2 | 107.6 | 175.5 | 40.5 | 0 | 0 | 0 | 0 | 111.1 | S1956 V1960 | S1956-T1958 PolarHBondContact O-N 3.04Å; T1958-V1960 PolarHBondContact O-N 3Å | ||
| 1959 | K | 44.2 | Very low | 56.8 | Low | 199 Ų | 199 | 98 Ų | 98 | 87% | 0.865 | 60% | 0.6 | S | S | * | * | trans | -73.2 | 121.7 | 170.3 | -80.2 | -179.6 | 178.2 | 174.1 | 0 | 110.1 | L1961 | K1959-L1961 PolarHBondContact O-N 3.26Š| ||
| 1960 | V | 42.2 | Very low | 56.6 | Low | 108 Ų | 108 | 102.7 Ų | 102.7 | 66% | 0.655 | 62% | 0.619 | S | S | * | * | trans | -65.5 | 107 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | T1958 T1962 | T1958-V1960 PolarHBondContact O-N 3Å; V1960-T1962 HydrophobicContact CG1-CG2 3.76Å | ||
| 1961 | L | 47.3 | Very low | 56.5 | Low | 162 Ų | 162 | 102.1 Ų | 102.1 | 85% | 0.848 | 61% | 0.607 | S | S | * | * | trans | -100.6 | 89.6 | 168.3 | -78.2 | 167.1 | 0 | 0 | 0 | 108.7 | K1959 D1963 | K1959-L1961 PolarHBondContact O-N 3.26Å; L1961-D1963 PolarHBondContact O-N 3.04Å | ||
| 1962 | T | 42.1 | Very low | 56.8 | Low | 121 Ų | 121 | 95.5 Ų | 95.5 | 74% | 0.742 | 57% | 0.572 | S | S | * | * | trans | -79.4 | 97.5 | 169.7 | 46 | 0 | 0 | 0 | 0 | 109 | V1960 | V1960-T1962 HydrophobicContact CG1-CG2 3.76Š| ||
| 1963 | D | 44.6 | Very low | 57.1 | Low | 126 Ų | 126 | 96.7 Ų | 96.7 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | trans | -126.4 | 98.9 | 161.9 | -124 | -9.2 | 0 | 0 | 0 | 108.1 | L1961 T1965 | L1961-D1963 PolarHBondContact O-N 3.04Å; D1963-T1965 PolarHBondContact O-N 3.17Å | ||
| 1964 | G | 53.7 | Low | 58.2 | Low | 89 Ų | 89 | 100.7 Ų | 100.7 | 92% | 0.918 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 28.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1965 | T | 49 | Very low | 59.5 | Low | 124 Ų | 124 | 97.5 Ų | 97.5 | 76% | 0.761 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -15.2 | -173.8 | 54.5 | 0 | 0 | 0 | 0 | 115 | D1963 | D1963-T1965 PolarHBondContact O-N 3.17Š|
| 1966 | V | 51.3 | Low | 61.3 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -130.2 | 139.2 | -177.4 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | Q1970 | V1966-Q1970 HydrophobicContact CG1-CB 3.79Š|
| 1967 | S | 64 | Low | 62.9 | Low | 51 Ų | 51 | 89.7 Ų | 89.7 | 36% | 0.357 | 49% | 0.494 | S | S | . | . | trans | -61.7 | 138.3 | -179.2 | 77.9 | 0 | 0 | 0 | 0 | 110.1 | Y1969 Q1970 R1971 | S1967-Y1969 PolarHBondContact O-N 3.34Å; S1967-Y1969 VanDerWaalsContact O-N 3.09Å; S1967-Q1970 WeakPolarHBondContact O-CB 3.26Å; S1967-Q1970 PolarHBondContact O-N 3.37Å; S1967-Q1970 WeakPolarHBondContact OG-CB 3.44Å; S1967-Q1970 WeakPolarHBondContact OG-CG 3.42Å; S1967-Q1970 PolarHBondContact OG-N 3.27Å; S1967-Q1970 PolarHBondContact OG-OE1 3.23Å; S1967-R1971 PolarHBondContact O-N 3.4Å | ||
| 1968 | P | 71.6 | Confident | 65 | Low | 60 Ų | 60 | 83.7 Ų | 83.7 | 39% | 0.39 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.4 | -33.3 | -173.4 | -27.9 | 34.5 | 0 | 0 | 0 | 113.9 | L1972 H1987 L1991 | P1968-L1972 PolarHBondContact O-N 2.85Å; P1968-H1987 PolarHBondContact O-NE2 2.78Å; P1968-L1991 HydrophobicContact CB-CD2 3.24Å; P1968-L1991 HydrophobicContact CB-CG 4.49Å; P1968-L1991 HydrophobicContact CG-CD2 4.49Å |
| 1969 | Y | 73 | Confident | 66.6 | Low | 64 Ų | 64 | 84.9 Ų | 84.9 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.6 | -41.3 | 175.9 | -167.6 | -93.7 | 0 | 0 | 0 | 112.8 | S1967 R1971 L1972 T1973 M1998 V2000 | S1967-Y1969 PolarHBondContact O-N 3.34Å; S1967-Y1969 VanDerWaalsContact O-N 3.09Å; Y1969-R1971 PolarHBondContact O-N 3.07Å; Y1969-L1972 WeakPolarHBondContact O-CA 3.27Å; Y1969-L1972 VanDerWaalsContact O-CB 3.29Å; Y1969-L1972 WeakPolarHBondContact O-CB 3.31Å; Y1969-L1972 PolarHBondContact O-N 3.3Å; Y1969-T1973 PolarHBondContact O-N 3.44Å; Y1969-T1973 PolarHBondContact O-OG1 3.26Å; Y1969-M1998 HydrophobicContact CD2-CE 4.05Å; Y1969-V2000 HydrophobicContact CE2-CG1 4.22Å |
| 1970 | Q | 76 | Confident | 68.6 | Low | 120 Ų | 120 | 78.6 Ų | 78.6 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.3 | -35.5 | 174.8 | -79.7 | 170.8 | -8.9 | 0 | 0 | 112.1 | V1966 S1967 T1973 F1974 | V1966-Q1970 HydrophobicContact CG1-CB 3.79Å; S1967-Q1970 WeakPolarHBondContact O-CB 3.26Å; S1967-Q1970 PolarHBondContact O-N 3.37Å; S1967-Q1970 WeakPolarHBondContact OG-CB 3.44Å; S1967-Q1970 WeakPolarHBondContact OG-CG 3.42Å; S1967-Q1970 PolarHBondContact OG-N 3.27Å; S1967-Q1970 PolarHBondContact OG-OE1 3.23Å; Q1970-T1973 PolarHBondContact O-N 3.05Å; Q1970-F1974 WeakPolarHBondContact O-CB 3.25Å; Q1970-F1974 PolarHBondContact O-N 2.73Å |
| 1971 | R | 78 | Confident | 70.7 | Confident | 113 Ų | 113 | 73.9 Ų | 73.9 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 173.2 | -169.5 | 105.4 | -176.8 | 178.3 | 1.4 | 111.4 | S1967 Y1969 F1974 L1975 | S1967-R1971 PolarHBondContact O-N 3.4Å; Y1969-R1971 PolarHBondContact O-N 3.07Å; R1971-F1974 PolarHBondContact O-N 3.47Å; R1971-L1975 HydrophobicContact CG-CD1 4.24Å; R1971-L1975 VanDerWaalsContact O-CG 3.29Å; R1971-L1975 WeakPolarHBondContact O-CG 3.32Å; R1971-L1975 PolarHBondContact O-N 2.84Å |
| 1972 | L | 82.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 175.6 | -171.6 | 68.7 | 0 | 0 | 0 | 111.2 | P1968 Y1969 F1974 L1975 I1976 H1987 L1988 L1991 L2001 L2012 | P1968-L1972 PolarHBondContact O-N 2.85Å; Y1969-L1972 WeakPolarHBondContact O-CA 3.27Å; Y1969-L1972 VanDerWaalsContact O-CB 3.29Å; Y1969-L1972 WeakPolarHBondContact O-CB 3.31Å; Y1969-L1972 PolarHBondContact O-N 3.3Å; L1972-F1974 VanDerWaalsContact C-N 3.27Å; L1972-F1974 PolarHBondContact O-N 2.88Å; L1972-L1975 PolarHBondContact O-N 3.05Å; L1972-I1976 WeakPolarHBondContact O-CG2 3.44Å; L1972-I1976 PolarHBondContact O-N 3.46Å; L1972-H1987 HydrophobicContact CD1-CB 4.31Å; L1972-L1988 HydrophobicContact CD1-CB 4.07Å; L1972-L1988 HydrophobicContact CD2-CD1 4.11Å; L1972-L1991 HydrophobicContact CB-CD1 3.96Å; L1972-L1991 HydrophobicContact CD1-CD1 4.31Å; L1972-L1991 HydrophobicContact CD2-CD1 3.99Å; L1972-L1991 HydrophobicContact CG-CD1 4.32Å; L1972-L2001 HydrophobicContact CD2-CD2 4.27Å; L1972-L2012 HydrophobicContact CD1-CD2 3.86Å; L1972-L2012 HydrophobicContact CD2-CD2 4.46Å; L1972-L2012 HydrophobicContact CG-CD2 4.31Å |
| 1973 | T | 80.9 | Confident | 74.5 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 18% | 0.184 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 177.9 | -40.5 | 0 | 0 | 0 | 0 | 112 | Y1969 Q1970 I1976 G1977 M2019 | Y1969-T1973 PolarHBondContact O-N 3.44Å; Y1969-T1973 PolarHBondContact O-OG1 3.26Å; Q1970-T1973 PolarHBondContact O-N 3.05Å; T1973-I1976 WeakPolarHBondContact O-CG2 3.23Å; T1973-G1977 PolarHBondContact O-N 3.12Å; T1973-M2019 HydrophobicContact CG2-CB 3.81Å; T1973-M2019 HydrophobicContact CG2-CG 3.64Å |
| 1974 | F | 81.8 | Confident | 76.5 | Confident | 149 Ų | 149 | 66.9 Ų | 66.9 | 65% | 0.654 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.7 | -46.6 | 174.9 | 179 | -93.8 | 0 | 0 | 0 | 112.4 | Q1970 R1971 L1972 G1977 A1978 | Q1970-F1974 WeakPolarHBondContact O-CB 3.25Å; Q1970-F1974 PolarHBondContact O-N 2.73Å; R1971-F1974 PolarHBondContact O-N 3.47Å; L1972-F1974 VanDerWaalsContact C-N 3.27Å; L1972-F1974 PolarHBondContact O-N 2.88Å; F1974-G1977 PolarHBondContact O-N 3.46Å; F1974-A1978 WeakPolarHBondContact O-CB 3.34Å; F1974-A1978 PolarHBondContact O-N 3.28Å |
| 1975 | L | 86.1 | Confident | 78.1 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | -179.3 | -71.6 | 170.7 | 0 | 0 | 0 | 111.9 | R1971 L1972 G1977 A1978 K1979 D1980 E1983 S1984 H1987 | R1971-L1975 HydrophobicContact CG-CD1 4.24Å; R1971-L1975 VanDerWaalsContact O-CG 3.29Å; R1971-L1975 WeakPolarHBondContact O-CG 3.32Å; R1971-L1975 PolarHBondContact O-N 2.84Å; L1972-L1975 PolarHBondContact O-N 3.05Å; L1975-G1977 VanDerWaalsContact C-N 3.34Å; L1975-A1978 PolarHBondContact O-N 3.14Å; L1975-K1979 PolarHBondContact O-N 2.94Å; L1975-D1980 PolarHBondContact O-N 3.17Å; L1975-E1983 HydrophobicContact CD1-CB 4.36Å; L1975-E1983 HydrophobicContact CD2-CB 4Å; L1975-E1983 VanDerWaalsContact CD2-OE2 3.31Å; L1975-E1983 WeakPolarHBondContact CD2-OE2 3.43Å; L1975-S1984 VanDerWaalsContact C-OG 3.23Å; L1975-S1984 WeakPolarHBondContact CB-OG 3.39Å; L1975-S1984 PolarHBondContact O-OG 2.74Å; L1975-H1987 HydrophobicContact CD1-CB 3.71Å |
| 1976 | I | 85.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 178.2 | -161.8 | 65.2 | 0 | 0 | 0 | 111.2 | L1941 L1945 L1972 T1973 A1978 K1979 S1984 L2012 V2015 Y2016 | L1941-I1976 HydrophobicContact CD1-CD1 4.24Å; L1941-I1976 HydrophobicContact CD2-CD1 4.34Å; L1941-I1976 HydrophobicContact CD2-CG1 4.49Å; L1945-I1976 HydrophobicContact CD1-CD1 4.44Å; L1945-I1976 HydrophobicContact CD2-CD1 4.2Å; L1972-I1976 WeakPolarHBondContact O-CG2 3.44Å; L1972-I1976 PolarHBondContact O-N 3.46Å; T1973-I1976 WeakPolarHBondContact O-CG2 3.23Å; I1976-A1978 VanDerWaalsContact C-N 3.28Å; I1976-A1978 PolarHBondContact O-N 2.77Å; I1976-K1979 WeakPolarHBondContact O-CA 3.23Å; I1976-K1979 PolarHBondContact O-N 3.35Å; I1976-S1984 WeakPolarHBondContact CA-OG 3.19Å; I1976-S1984 PolarHBondContact N-OG 3.43Å; I1976-L2012 HydrophobicContact CD1-CB 4.06Å; I1976-L2012 HydrophobicContact CD1-CD2 4.42Å; I1976-V2015 HydrophobicContact CG2-CG1 4.2Å; I1976-Y2016 HydrophobicContact CG1-CD2 3.95Å; I1976-Y2016 HydrophobicContact CG1-CG 4.27Å; I1976-Y2016 HydrophobicContact CG2-CD2 4.34Å |
| 1977 | G | 81.5 | Confident | 81.3 | Confident | 31 Ų | 31 | 58 Ų | 58 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -28.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1973 F1974 L1975 K1979 | T1973-G1977 PolarHBondContact O-N 3.12Å; F1974-G1977 PolarHBondContact O-N 3.46Å; L1975-G1977 VanDerWaalsContact C-N 3.34Å; G1977-K1979 PolarHBondContact O-N 2.83Å |
| 1978 | A | 83.8 | Confident | 82.3 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1974 L1975 I1976 D1980 | F1974-A1978 WeakPolarHBondContact O-CB 3.34Å; F1974-A1978 PolarHBondContact O-N 3.28Å; L1975-A1978 PolarHBondContact O-N 3.14Å; I1976-A1978 VanDerWaalsContact C-N 3.28Å; I1976-A1978 PolarHBondContact O-N 2.77Å; A1978-D1980 PolarHBondContact O-N 3.22Å |
| 1979 | K | 80.2 | Confident | 83 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 27.1 | -174.6 | -58.3 | -173.3 | 178.6 | -174.6 | 0 | 113.9 | E1937 L1975 I1976 G1977 A1981 Y2016 | E1937-K1979 WeakPolarHBondContact OE1-CE 3.37Å; E1937-K1979 IonicContact OE1-NZ 3.52Å; E1937-K1979 PolarHBondContact OE1-NZ 3.21Å; L1975-K1979 PolarHBondContact O-N 2.94Å; I1976-K1979 WeakPolarHBondContact O-CA 3.23Å; I1976-K1979 PolarHBondContact O-N 3.35Å; G1977-K1979 PolarHBondContact O-N 2.83Å; K1979-A1981 PolarHBondContact O-N 3.06Å; K1979-A1981 VanDerWaalsContact O-N 3.16Å; K1979-Y2016 VanDerWaalsContact CE-OH 3.3Å; K1979-Y2016 WeakPolarHBondContact CE-OH 3.31Å |
| 1980 | D | 84.3 | Confident | 83.2 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | trans | -86 | 82.9 | 173.2 | -164.4 | -29.1 | 0 | 0 | 0 | 110.1 | L1975 A1978 R1982 E1983 S1984 | L1975-D1980 PolarHBondContact O-N 3.17Å; A1978-D1980 PolarHBondContact O-N 3.22Å; D1980-R1982 PolarHBondContact O-N 3.02Å; D1980-R1982 PolarHBondContact OD1-N 3.08Å; D1980-E1983 HydrophobicContact CB-CB 4.46Å; D1980-E1983 PolarHBondContact OD1-N 3.05Å; D1980-E1983 VanDerWaalsContact OD1-N 3.13Å; D1980-S1984 VanDerWaalsContact O-CB 3.26Å; D1980-S1984 WeakPolarHBondContact O-CB 3.31Å; D1980-S1984 PolarHBondContact O-N 3.27Å; D1980-S1984 PolarHBondContact O-OG 2.9Å | ||
| 1981 | A | 86.4 | Confident | 83.3 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -37.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1944 L1945 A1948 K1979 L1985 | D1944-A1981 HydrophobicContact CB-CB 4.34Å; L1945-A1981 HydrophobicContact CD2-CB 3.82Å; L1945-A1981 HydrophobicContact CG-CB 4.32Å; A1948-A1981 HydrophobicContact CB-CB 3.97Å; K1979-A1981 PolarHBondContact O-N 3.06Å; K1979-A1981 VanDerWaalsContact O-N 3.16Å; A1981-L1985 VanDerWaalsContact O-CG 3.3Å; A1981-L1985 WeakPolarHBondContact O-CG 3.33Å; A1981-L1985 PolarHBondContact O-N 3.03Å; A1981-L1985 VanDerWaalsContact O-N 3.11Å |
| 1982 | R | 84.7 | Confident | 83.5 | Confident | 159 Ų | 159 | 43.8 Ų | 43.8 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -73.5 | -48.4 | -175.6 | -173.1 | -178.6 | 178.1 | 176.3 | 1.9 | 111.9 | L1952 D1980 S1984 L1986 | L1952-R1982 HydrophobicContact CD1-CG 4.24Å; D1980-R1982 PolarHBondContact O-N 3.02Å; D1980-R1982 PolarHBondContact OD1-N 3.08Å; R1982-S1984 VanDerWaalsContact C-N 3.31Å; R1982-L1986 PolarHBondContact O-N 2.74Å |
| 1983 | E | 84.9 | Confident | 82.9 | Confident | 102 Ų | 102 | 48.7 Ų | 48.7 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.9 | -35.4 | 176.3 | -76 | -154.6 | 167.4 | 0 | 0 | 111.7 | L1975 D1980 L1985 L1986 H1987 | L1975-E1983 HydrophobicContact CD1-CB 4.36Å; L1975-E1983 HydrophobicContact CD2-CB 4Å; L1975-E1983 VanDerWaalsContact CD2-OE2 3.31Å; L1975-E1983 WeakPolarHBondContact CD2-OE2 3.43Å; D1980-E1983 HydrophobicContact CB-CB 4.46Å; D1980-E1983 PolarHBondContact OD1-N 3.05Å; D1980-E1983 VanDerWaalsContact OD1-N 3.13Å; E1983-L1985 PolarHBondContact O-N 3.23Å; E1983-L1986 PolarHBondContact O-N 3.21Å; E1983-H1987 VanDerWaalsContact O-CB 3.3Å; E1983-H1987 WeakPolarHBondContact O-CB 3.11Å; E1983-H1987 PolarHBondContact O-N 2.95Å |
| 1984 | S | 87.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | L1975 I1976 D1980 R1982 H1987 L1988 | L1975-S1984 VanDerWaalsContact C-OG 3.23Å; L1975-S1984 WeakPolarHBondContact CB-OG 3.39Å; L1975-S1984 PolarHBondContact O-OG 2.74Å; I1976-S1984 WeakPolarHBondContact CA-OG 3.19Å; I1976-S1984 PolarHBondContact N-OG 3.43Å; D1980-S1984 VanDerWaalsContact O-CB 3.26Å; D1980-S1984 WeakPolarHBondContact O-CB 3.31Å; D1980-S1984 PolarHBondContact O-N 3.27Å; D1980-S1984 PolarHBondContact O-OG 2.9Å; R1982-S1984 VanDerWaalsContact C-N 3.31Å; S1984-H1987 PolarHBondContact O-N 3.15Å; S1984-L1988 WeakPolarHBondContact O-CB 3.4Å; S1984-L1988 PolarHBondContact O-N 3.23Å |
| 1985 | L | 86.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.3 | -76.4 | 168.3 | 0 | 0 | 0 | 112.3 | L1945 A1948 A1949 L1952 A1981 E1983 H1987 L1988 R1989 D2008 L2012 | L1945-L1985 HydrophobicContact CD2-CD1 4.48Å; L1945-L1985 HydrophobicContact CD2-CG 4.25Å; A1948-L1985 HydrophobicContact CB-CD1 3.72Å; A1949-L1985 HydrophobicContact CB-CD1 4.01Å; L1952-L1985 HydrophobicContact CD1-CB 3.81Å; L1952-L1985 HydrophobicContact CD1-CD1 3.93Å; A1981-L1985 VanDerWaalsContact O-CG 3.3Å; A1981-L1985 WeakPolarHBondContact O-CG 3.33Å; A1981-L1985 PolarHBondContact O-N 3.03Å; A1981-L1985 VanDerWaalsContact O-N 3.11Å; E1983-L1985 PolarHBondContact O-N 3.23Å; L1985-H1987 VanDerWaalsContact C-N 3.33Å; L1985-H1987 PolarHBondContact O-N 2.73Å; L1985-L1988 PolarHBondContact O-N 3.03Å; L1985-R1989 WeakPolarHBondContact O-CG 3.37Å; L1985-R1989 PolarHBondContact O-N 2.9Å; L1985-D2008 HydrophobicContact CD2-CB 3.55Å; L1985-L2012 HydrophobicContact CB-CD1 4.47Å; L1985-L2012 HydrophobicContact CD2-CD1 3.5Å; L1985-L2012 HydrophobicContact CG-CD1 3.74Å |
| 1986 | L | 83.8 | Confident | 79.4 | Confident | 55 Ų | 55 | 60 Ų | 60 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 177.4 | -74 | 172.4 | 0 | 0 | 0 | 111.8 | L1952 R1982 E1983 R1989 S1990 | L1952-L1986 HydrophobicContact CD1-CG 4.39Å; L1952-L1986 HydrophobicContact CD2-CD1 4.36Å; L1952-L1986 HydrophobicContact CD2-CD2 3.73Å; L1952-L1986 HydrophobicContact CD2-CG 4.04Å; R1982-L1986 PolarHBondContact O-N 2.74Å; E1983-L1986 PolarHBondContact O-N 3.21Å; L1986-R1989 PolarHBondContact O-N 3.12Å; L1986-S1990 WeakPolarHBondContact O-CB 3.26Å; L1986-S1990 PolarHBondContact O-N 2.94Å |
| 1987 | H | 84.2 | Confident | 77.4 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 178.9 | -164.2 | 64.6 | 0 | 0 | 0 | 111.9 | P1968 L1972 L1975 E1983 S1984 L1985 S1990 L1991 | P1968-H1987 PolarHBondContact O-NE2 2.78Å; L1972-H1987 HydrophobicContact CD1-CB 4.31Å; L1975-H1987 HydrophobicContact CD1-CB 3.71Å; E1983-H1987 VanDerWaalsContact O-CB 3.3Å; E1983-H1987 WeakPolarHBondContact O-CB 3.11Å; E1983-H1987 PolarHBondContact O-N 2.95Å; S1984-H1987 PolarHBondContact O-N 3.15Å; L1985-H1987 VanDerWaalsContact C-N 3.33Å; L1985-H1987 PolarHBondContact O-N 2.73Å; H1987-S1990 PolarHBondContact O-N 3.13Å; H1987-L1991 WeakPolarHBondContact O-CB 3.42Å; H1987-L1991 VanDerWaalsContact O-CG 3.32Å; H1987-L1991 WeakPolarHBondContact O-CG 3.5Å; H1987-L1991 PolarHBondContact O-N 2.86Å |
| 1988 | L | 84.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 172.3 | 178.7 | 64.8 | 0 | 0 | 0 | 111.5 | L1972 S1984 L1985 S1990 L1991 R1992 L2001 D2008 V2011 L2012 | L1972-L1988 HydrophobicContact CD1-CB 4.07Å; L1972-L1988 HydrophobicContact CD2-CD1 4.11Å; S1984-L1988 WeakPolarHBondContact O-CB 3.4Å; S1984-L1988 PolarHBondContact O-N 3.23Å; L1985-L1988 PolarHBondContact O-N 3.03Å; L1988-S1990 VanDerWaalsContact C-N 3.34Å; L1988-S1990 PolarHBondContact O-N 3.44Å; L1988-L1991 WeakPolarHBondContact O-CB 3.16Å; L1988-L1991 PolarHBondContact O-N 3.22Å; L1988-R1992 WeakPolarHBondContact O-CB 3.32Å; L1988-R1992 PolarHBondContact O-N 3.39Å; L1988-L2001 HydrophobicContact CD1-CB 4.08Å; L1988-L2001 HydrophobicContact CD1-CD2 3.61Å; L1988-L2001 HydrophobicContact CD1-CG 4.44Å; L1988-D2008 HydrophobicContact CD2-CB 4.13Å; L1988-V2011 HydrophobicContact CD1-CG1 3.9Å; L1988-V2011 HydrophobicContact CD2-CB 4.19Å; L1988-V2011 HydrophobicContact CD2-CG1 3.92Å; L1988-L2012 HydrophobicContact CB-CD2 4.27Å; L1988-L2012 HydrophobicContact CD2-CD1 4.4Å; L1988-L2012 HydrophobicContact CD2-CD2 4.14Å; L1988-L2012 HydrophobicContact CD2-CG 3.88Å |
| 1989 | R | 85.7 | Confident | 74.3 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 14% | 0.143 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.4 | -70.2 | 174.9 | -175.3 | -169.2 | -1 | 112 | L1985 L1986 R1992 L1993 E2005 D2008 | L1985-R1989 WeakPolarHBondContact O-CG 3.37Å; L1985-R1989 PolarHBondContact O-N 2.9Å; L1986-R1989 PolarHBondContact O-N 3.12Å; R1989-R1992 PolarHBondContact O-N 3.37Å; R1989-L1993 PolarHBondContact O-N 2.94Å; R1989-L1993 VanDerWaalsContact O-N 3.16Å; R1989-E2005 IonicContact CZ-OE2 3.51Å; R1989-E2005 IonicContact NH1-OE2 3.56Å; R1989-E2005 IonicContact NH2-OE2 3.09Å; R1989-D2008 IonicContact CZ-OD2 2.77Å; R1989-D2008 VanDerWaalsContact CZ-OD2 3.29Å; R1989-D2008 IonicContact NE-OD2 3.74Å; R1989-D2008 PolarHBondContact NE-OD2 3.34Å; R1989-D2008 IonicContact NH2-OD2 3.52Å; R1989-D2008 PolarHBondContact NH2-OD2 3.18Å |
| 1990 | S | 77.6 | Confident | 73.4 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 20% | 0.203 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 174.1 | -173 | 0 | 0 | 0 | 0 | 112 | L1986 H1987 L1988 R1992 L1993 H1994 | L1986-S1990 WeakPolarHBondContact O-CB 3.26Å; L1986-S1990 PolarHBondContact O-N 2.94Å; H1987-S1990 PolarHBondContact O-N 3.13Å; L1988-S1990 VanDerWaalsContact C-N 3.34Å; L1988-S1990 PolarHBondContact O-N 3.44Å; S1990-R1992 VanDerWaalsContact C-N 3.35Å; S1990-R1992 PolarHBondContact O-N 2.91Å; S1990-L1993 WeakPolarHBondContact O-CB 3.33Å; S1990-L1993 PolarHBondContact O-N 3.28Å; S1990-H1994 PolarHBondContact O-N 3.49Å; S1990-H1994 PolarHBondContact O-ND1 3.46Å |
| 1991 | L | 78.1 | Confident | 72.7 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 174.9 | -83 | 169.1 | 0 | 0 | 0 | 111.8 | P1968 L1972 H1987 L1988 L1993 H1994 H1995 L2001 | P1968-L1991 HydrophobicContact CB-CD2 3.24Å; P1968-L1991 HydrophobicContact CB-CG 4.49Å; P1968-L1991 HydrophobicContact CG-CD2 4.49Å; L1972-L1991 HydrophobicContact CB-CD1 3.96Å; L1972-L1991 HydrophobicContact CD1-CD1 4.31Å; L1972-L1991 HydrophobicContact CD2-CD1 3.99Å; L1972-L1991 HydrophobicContact CG-CD1 4.32Å; H1987-L1991 WeakPolarHBondContact O-CB 3.42Å; H1987-L1991 VanDerWaalsContact O-CG 3.32Å; H1987-L1991 WeakPolarHBondContact O-CG 3.5Å; H1987-L1991 PolarHBondContact O-N 2.86Å; L1988-L1991 WeakPolarHBondContact O-CB 3.16Å; L1988-L1991 PolarHBondContact O-N 3.22Å; L1991-L1993 VanDerWaalsContact C-N 3.3Å; L1991-L1993 PolarHBondContact O-N 2.97Å; L1991-H1994 PolarHBondContact O-N 2.91Å; L1991-H1995 WeakPolarHBondContact O-CA 3.13Å; L1991-H1995 WeakPolarHBondContact O-CB 3.44Å; L1991-H1995 PolarHBondContact O-N 3Å; L1991-L2001 HydrophobicContact CB-CD1 3.95Å; L1991-L2001 HydrophobicContact CB-CD2 4.21Å; L1991-L2001 HydrophobicContact CD1-CD2 4.21Å |
| 1992 | R | 82.6 | Confident | 71.7 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 178.4 | -168.6 | -175.7 | -65.6 | 137.2 | -2 | 112.5 | L1988 R1989 S1990 R1996 L2001 G2002 C2004 D2008 | L1988-R1992 WeakPolarHBondContact O-CB 3.32Å; L1988-R1992 PolarHBondContact O-N 3.39Å; R1989-R1992 PolarHBondContact O-N 3.37Å; S1990-R1992 VanDerWaalsContact C-N 3.35Å; S1990-R1992 PolarHBondContact O-N 2.91Å; R1992-R1996 WeakPolarHBondContact O-CG 3.32Å; R1992-R1996 PolarHBondContact O-N 3.18Å; R1992-L2001 PolarHBondContact NE-O 3.06Å; R1992-L2001 PolarHBondContact NH2-O 3.37Å; R1992-G2002 WeakPolarHBondContact CD-O 3.11Å; R1992-G2002 PolarHBondContact NE-O 3.36Å; R1992-C2004 PolarHBondContact NH1-O 3.28Å; R1992-C2004 PolarHBondContact NH2-O 3.45Å; R1992-D2008 IonicContact CZ-OD1 3.87Å; R1992-D2008 IonicContact NH1-OD1 3.25Å; R1992-D2008 PolarHBondContact NH1-OD1 2.9Å; R1992-D2008 IonicContact NH2-OD1 3.57Å; R1992-D2008 PolarHBondContact NH2-OD1 3.34Å |
| 1993 | L | 71 | Confident | 70.9 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 175.6 | -82.1 | 161.9 | 0 | 0 | 0 | 112.7 | R1989 S1990 L1991 | R1989-L1993 PolarHBondContact O-N 2.94Å; R1989-L1993 VanDerWaalsContact O-N 3.16Å; S1990-L1993 WeakPolarHBondContact O-CB 3.33Å; S1990-L1993 PolarHBondContact O-N 3.28Å; L1991-L1993 VanDerWaalsContact C-N 3.3Å; L1991-L1993 PolarHBondContact O-N 2.97Å |
| 1994 | H | 66.1 | Low | 70.4 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 59% | 0.588 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -89.1 | -29.8 | -176.1 | -67.1 | 81.6 | 0 | 0 | 0 | 113.5 | S1990 L1991 | S1990-H1994 PolarHBondContact O-N 3.49Å; S1990-H1994 PolarHBondContact O-ND1 3.46Å; L1991-H1994 PolarHBondContact O-N 2.91Å |
| 1995 | H | 59.3 | Low | 69.8 | Low | 84 Ų | 84 | 66.8 Ų | 66.8 | 39% | 0.389 | 31% | 0.312 | S | S | . | . | trans | -125.6 | 57.9 | -175 | -63.1 | -68.1 | 0 | 0 | 0 | 110.8 | L1991 R1997 M1998 L2001 | L1991-H1995 WeakPolarHBondContact O-CA 3.13Å; L1991-H1995 WeakPolarHBondContact O-CB 3.44Å; L1991-H1995 PolarHBondContact O-N 3Å; H1995-R1997 PolarHBondContact O-N 3.44Å; H1995-M1998 PolarHBondContact O-N 3.05Å; H1995-L2001 HydrophobicContact CB-CD1 4.39Å | ||
| 1996 | R | 49.7 | Very low | 69.1 | Low | 216 Ų | 216 | 71.1 Ų | 71.1 | 82% | 0.815 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -16.5 | 178.3 | -72.7 | -170.6 | -177.3 | -169.6 | 0.4 | 114.8 | R1992 | R1992-R1996 WeakPolarHBondContact O-CG 3.32Å; R1992-R1996 PolarHBondContact O-N 3.18Å |
| 1997 | R | 42.8 | Very low | 68.7 | Low | 241 Ų | 241 | 68.5 Ų | 68.5 | 91% | 0.909 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.1 | -179.1 | -66.1 | -174.4 | 179 | 176.2 | -1 | 115.3 | H1995 E1999 | H1995-R1997 PolarHBondContact O-N 3.44Å; R1997-E1999 PolarHBondContact O-N 3.02Å |
| 1998 | M | 48 | Very low | 68.5 | Low | 89 Ų | 89 | 66.4 Ų | 66.4 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | trans | -88.2 | 98.5 | 177.8 | -83.9 | -174.2 | 72.8 | 0 | 0 | 110.8 | Y1969 H1995 V2000 L2001 | Y1969-M1998 HydrophobicContact CD2-CE 4.05Å; H1995-M1998 PolarHBondContact O-N 3.05Å; M1998-V2000 PolarHBondContact O-N 3.48Å; M1998-V2000 VanDerWaalsContact O-N 3.13Å; M1998-L2001 HydrophobicContact CB-CD1 3.73Å; M1998-L2001 HydrophobicContact CB-CG 4.05Å; M1998-L2001 WeakPolarHBondContact O-CB 3.38Å; M1998-L2001 PolarHBondContact O-N 3.42Å | ||
| 1999 | E | 52.9 | Low | 68.4 | Low | 70 Ų | 70 | 67.1 Ų | 67.1 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -47.7 | -36.8 | -178.8 | -66 | -168.1 | 153.6 | 0 | 0 | 114.7 | S1741 F1742 N1743 R1997 L2001 G2002 | S1741-E1999 WeakPolarHBondContact CB-OE2 3.44Å; S1741-E1999 PolarHBondContact OG-OE2 2.77Å; F1742-E1999 CarbonylContact O-C 3.5Å; F1742-E1999 WeakPolarHBondContact O-CB 3.5Å; N1743-E1999 PolarHBondContact ND2-OE1 3.39Å; N1743-E1999 VanDerWaalsContact OD1-CA 3.29Å; N1743-E1999 WeakPolarHBondContact OD1-CA 3.42Å; N1743-E1999 WeakPolarHBondContact OD1-CB 3.34Å; N1743-E1999 WeakPolarHBondContact OD1-CG 3.39Å; R1997-E1999 PolarHBondContact O-N 3.02Å; E1999-L2001 PolarHBondContact O-N 2.87Å; E1999-L2001 VanDerWaalsContact O-N 3.09Å; E1999-G2002 PolarHBondContact O-N 3.47Å |
| 2000 | V | 60.7 | Low | 67.9 | Low | 49 Ų | 49 | 67.2 Ų | 67.2 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -63.6 | -18.6 | -179.8 | -173 | 0 | 0 | 0 | 0 | 113 | Y1969 M1998 G2002 V2011 | Y1969-V2000 HydrophobicContact CE2-CG1 4.22Å; M1998-V2000 PolarHBondContact O-N 3.48Å; M1998-V2000 VanDerWaalsContact O-N 3.13Å; V2000-G2002 VanDerWaalsContact C-N 3.35Å; V2000-V2011 VanDerWaalsContact O-CG1 3.22Å; V2000-V2011 WeakPolarHBondContact O-CG1 3.49Å |
| 2001 | L | 68.7 | Low | 68 | Low | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -84.1 | -6.2 | -176.1 | -58.2 | 171.8 | 0 | 0 | 0 | 113.6 | L1972 L1988 L1991 R1992 H1995 M1998 E1999 | L1972-L2001 HydrophobicContact CD2-CD2 4.27Å; L1988-L2001 HydrophobicContact CD1-CB 4.08Å; L1988-L2001 HydrophobicContact CD1-CD2 3.61Å; L1988-L2001 HydrophobicContact CD1-CG 4.44Å; L1991-L2001 HydrophobicContact CB-CD1 3.95Å; L1991-L2001 HydrophobicContact CB-CD2 4.21Å; L1991-L2001 HydrophobicContact CD1-CD2 4.21Å; R1992-L2001 PolarHBondContact NE-O 3.06Å; R1992-L2001 PolarHBondContact NH2-O 3.37Å; H1995-L2001 HydrophobicContact CB-CD1 4.39Å; M1998-L2001 HydrophobicContact CB-CD1 3.73Å; M1998-L2001 HydrophobicContact CB-CG 4.05Å; M1998-L2001 WeakPolarHBondContact O-CB 3.38Å; M1998-L2001 PolarHBondContact O-N 3.42Å; E1999-L2001 PolarHBondContact O-N 2.87Å; E1999-L2001 VanDerWaalsContact O-N 3.09Å |
| 2002 | G | 65.7 | Low | 68.2 | Low | 11 Ų | 11 | 65.5 Ų | 65.5 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | trans | 68.1 | 163.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1992 E1999 V2000 | R1992-G2002 WeakPolarHBondContact CD-O 3.11Å; R1992-G2002 PolarHBondContact NE-O 3.36Å; E1999-G2002 PolarHBondContact O-N 3.47Å; V2000-G2002 VanDerWaalsContact C-N 3.35Å | ||
| 2003 | C | 68.9 | Low | 68 | Low | 60 Ų | 60 | 64.1 Ų | 64.1 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -86 | -29.4 | -170.3 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | C1746 | C1746-C2003 WeakPolarHBondContact CB-SG 3.46Š|
| 2004 | C | 75 | Confident | 68.2 | Low | 22 Ų | 22 | 59.9 Ų | 59.9 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -157.5 | -178.1 | 178.7 | 78.1 | 0 | 0 | 0 | 0 | 113 | C1746 H1749 R1992 Q2006 V2007 | C1746-C2004 PolarHBondContact SG-SG 3.16Å; H1749-C2004 VanDerWaalsContact CE1-CB 3.43Å; H1749-C2004 WeakPolarHBondContact CE1-CB 3.48Å; H1749-C2004 VanDerWaalsContact CE1-SG 3.56Å; H1749-C2004 PolarHBondContact ND1-SG 3.16Å; H1749-C2004 VanDerWaalsContact ND1-SG 3.38Å; R1992-C2004 PolarHBondContact NH1-O 3.28Å; R1992-C2004 PolarHBondContact NH2-O 3.45Å; C2004-Q2006 PolarHBondContact O-N 3.14Å; C2004-Q2006 VanDerWaalsContact O-N 3.12Å; C2004-V2007 VanDerWaalsContact O-CG2 3.26Å; C2004-V2007 WeakPolarHBondContact O-CG2 3.46Å; C2004-V2007 PolarHBondContact O-N 3.38Å |
| 2005 | E | 75.1 | Confident | 68.8 | Low | 120 Ų | 120 | 54 Ų | 54 | 56% | 0.561 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -62.7 | -18.2 | -172.8 | 61.3 | -176.4 | 172 | 0 | 0 | 115.5 | R1989 V2007 D2008 | R1989-E2005 IonicContact CZ-OE2 3.51Å; R1989-E2005 IonicContact NH1-OE2 3.56Å; R1989-E2005 IonicContact NH2-OE2 3.09Å; E2005-V2007 VanDerWaalsContact C-N 3.34Å; E2005-V2007 PolarHBondContact O-N 3.36Å; E2005-D2008 VanDerWaalsContact CA-CG 3.47Å; E2005-D2008 WeakPolarHBondContact CA-OD1 3.37Å; E2005-D2008 WeakPolarHBondContact CA-OD2 3.26Å; E2005-D2008 WeakPolarHBondContact O-CB 3.47Å; E2005-D2008 VanDerWaalsContact O-CG 3.25Å; E2005-D2008 PolarHBondContact O-N 2.95Å |
| 2006 | Q | 71 | Confident | 69.8 | Low | 90 Ų | 90 | 50.2 Ų | 50.2 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -72.4 | -26.7 | -179.7 | -65.5 | -158.1 | -17.7 | 0 | 0 | 114.1 | C1746 H1748 C2004 | C1746-Q2006 VanDerWaalsContact SG-CB 3.56Å; C1746-Q2006 PolarHBondContact SG-OE1 2.92Å; C1746-Q2006 VanDerWaalsContact SG-OE1 3.34Å; H1748-Q2006 PolarHBondContact CD2-NE2 2.98Å; H1748-Q2006 PolarHBondContact CD2-OE1 3.43Å; H1748-Q2006 PolarHBondContact NE2-NE2 3.27Å; C2004-Q2006 PolarHBondContact O-N 3.14Å; C2004-Q2006 VanDerWaalsContact O-N 3.12Å |
| 2007 | V | 74.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -96.8 | 4.6 | 177.6 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | C1746 C2004 E2005 V2009 E2010 V2011 | C1746-V2007 HydrophobicContact CB-CG1 3.63Å; C2004-V2007 VanDerWaalsContact O-CG2 3.26Å; C2004-V2007 WeakPolarHBondContact O-CG2 3.46Å; C2004-V2007 PolarHBondContact O-N 3.38Å; E2005-V2007 VanDerWaalsContact C-N 3.34Å; E2005-V2007 PolarHBondContact O-N 3.36Å; V2007-V2009 VanDerWaalsContact C-N 3.26Å; V2007-V2009 PolarHBondContact O-N 3.46Å; V2007-E2010 WeakPolarHBondContact CG1-OE2 3.46Å; V2007-E2010 PolarHBondContact O-N 3.08Å; V2007-V2011 HydrophobicContact CB-CG2 4.35Å; V2007-V2011 HydrophobicContact CG2-CG2 4.19Å; V2007-V2011 WeakPolarHBondContact O-CB 3.31Å; V2007-V2011 VanDerWaalsContact O-CG2 3.28Å; V2007-V2011 WeakPolarHBondContact O-CG2 3.37Å; V2007-V2011 PolarHBondContact O-N 3.25Å |
| 2008 | D | 81.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.3 | -43.5 | -175.8 | -78.9 | -9 | 0 | 0 | 0 | 112.2 | L1985 L1988 R1989 R1992 E2005 L2012 | L1985-D2008 HydrophobicContact CD2-CB 3.55Å; L1988-D2008 HydrophobicContact CD2-CB 4.13Å; R1989-D2008 IonicContact CZ-OD2 2.77Å; R1989-D2008 VanDerWaalsContact CZ-OD2 3.29Å; R1989-D2008 IonicContact NE-OD2 3.74Å; R1989-D2008 PolarHBondContact NE-OD2 3.34Å; R1989-D2008 IonicContact NH2-OD2 3.52Å; R1989-D2008 PolarHBondContact NH2-OD2 3.18Å; R1992-D2008 IonicContact CZ-OD1 3.87Å; R1992-D2008 IonicContact NH1-OD1 3.25Å; R1992-D2008 PolarHBondContact NH1-OD1 2.9Å; R1992-D2008 IonicContact NH2-OD1 3.57Å; R1992-D2008 PolarHBondContact NH2-OD1 3.34Å; E2005-D2008 VanDerWaalsContact CA-CG 3.47Å; E2005-D2008 WeakPolarHBondContact CA-OD1 3.37Å; E2005-D2008 WeakPolarHBondContact CA-OD2 3.26Å; E2005-D2008 WeakPolarHBondContact O-CB 3.47Å; E2005-D2008 VanDerWaalsContact O-CG 3.25Å; E2005-D2008 PolarHBondContact O-N 2.95Å; D2008-L2012 WeakPolarHBondContact O-CB 3.37Å; D2008-L2012 VanDerWaalsContact O-CG 3.29Å; D2008-L2012 WeakPolarHBondContact O-CG 3.5Å; D2008-L2012 PolarHBondContact O-N 3.13Å |
| 2009 | V | 81.5 | Confident | 73.6 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -46.3 | -178.7 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | H1942 L1945 L1946 A1949 V2007 L2012 L2013 | H1942-V2009 VanDerWaalsContact CD2-CG1 3.4Å; H1942-V2009 WeakPolarHBondContact CD2-CG1 3.32Å; L1945-V2009 HydrophobicContact CB-CG1 3.98Å; L1945-V2009 HydrophobicContact CB-CG2 4.27Å; L1945-V2009 HydrophobicContact CD1-CG1 4.38Å; L1946-V2009 HydrophobicContact CD2-CG1 4.47Å; L1946-V2009 HydrophobicContact CD2-CG2 4.22Å; L1946-V2009 HydrophobicContact CG-CG1 4.38Å; A1949-V2009 HydrophobicContact CB-CG2 4.16Å; V2007-V2009 VanDerWaalsContact C-N 3.26Å; V2007-V2009 PolarHBondContact O-N 3.46Å; V2009-L2012 PolarHBondContact O-N 2.84Å; V2009-L2013 HydrophobicContact CG1-CD1 4.23Å; V2009-L2013 WeakPolarHBondContact O-CB 3.44Å; V2009-L2013 VanDerWaalsContact O-CG 3.28Å; V2009-L2013 WeakPolarHBondContact O-CG 3.29Å; V2009-L2013 PolarHBondContact O-N 2.89Å |
| 2010 | E | 75.3 | Confident | 74.4 | Confident | 40 Ų | 40 | 25.2 Ų | 25.2 | 19% | 0.187 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | -179.5 | -64.2 | 159.6 | 160.6 | 0 | 0 | 111.1 | L1744 R1784 V2007 L2013 L2014 | L1744-E2010 HydrophobicContact CD2-CB 4.12Å; R1784-E2010 IonicContact NH1-OE1 3.92Å; R1784-E2010 PolarHBondContact NH1-OE1 2.97Å; V2007-E2010 WeakPolarHBondContact CG1-OE2 3.46Å; V2007-E2010 PolarHBondContact O-N 3.08Å; E2010-L2013 PolarHBondContact O-N 3.47Å; E2010-L2014 WeakPolarHBondContact O-CB 3.47Å; E2010-L2014 WeakPolarHBondContact O-CD1 3.39Å; E2010-L2014 WeakPolarHBondContact O-CG 3.48Å; E2010-L2014 PolarHBondContact O-N 3.31Å |
| 2011 | V | 78.7 | Confident | 74.6 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | L1988 V2000 V2007 L2013 L2014 V2015 | L1988-V2011 HydrophobicContact CD1-CG1 3.9Å; L1988-V2011 HydrophobicContact CD2-CB 4.19Å; L1988-V2011 HydrophobicContact CD2-CG1 3.92Å; V2000-V2011 VanDerWaalsContact O-CG1 3.22Å; V2000-V2011 WeakPolarHBondContact O-CG1 3.49Å; V2007-V2011 HydrophobicContact CB-CG2 4.35Å; V2007-V2011 HydrophobicContact CG2-CG2 4.19Å; V2007-V2011 WeakPolarHBondContact O-CB 3.31Å; V2007-V2011 VanDerWaalsContact O-CG2 3.28Å; V2007-V2011 WeakPolarHBondContact O-CG2 3.37Å; V2007-V2011 PolarHBondContact O-N 3.25Å; V2011-L2013 PolarHBondContact O-N 3.02Å; V2011-L2014 PolarHBondContact O-N 3.28Å; V2011-V2015 WeakPolarHBondContact O-CG2 3.4Å; V2011-V2015 PolarHBondContact O-N 3.45Å |
| 2012 | L | 83.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 179.7 | -73.6 | 176.8 | 0 | 0 | 0 | 112.4 | L1945 L1972 I1976 L1985 L1988 D2008 V2009 L2014 V2015 Y2016 | L1945-L2012 HydrophobicContact CD1-CB 3.97Å; L1945-L2012 HydrophobicContact CD2-CB 4.27Å; L1945-L2012 HydrophobicContact CD2-CD1 3.59Å; L1972-L2012 HydrophobicContact CD1-CD2 3.86Å; L1972-L2012 HydrophobicContact CD2-CD2 4.46Å; L1972-L2012 HydrophobicContact CG-CD2 4.31Å; I1976-L2012 HydrophobicContact CD1-CB 4.06Å; I1976-L2012 HydrophobicContact CD1-CD2 4.42Å; L1985-L2012 HydrophobicContact CB-CD1 4.47Å; L1985-L2012 HydrophobicContact CD2-CD1 3.5Å; L1985-L2012 HydrophobicContact CG-CD1 3.74Å; L1988-L2012 HydrophobicContact CB-CD2 4.27Å; L1988-L2012 HydrophobicContact CD2-CD1 4.4Å; L1988-L2012 HydrophobicContact CD2-CD2 4.14Å; L1988-L2012 HydrophobicContact CD2-CG 3.88Å; D2008-L2012 WeakPolarHBondContact O-CB 3.37Å; D2008-L2012 VanDerWaalsContact O-CG 3.29Å; D2008-L2012 WeakPolarHBondContact O-CG 3.5Å; D2008-L2012 PolarHBondContact O-N 3.13Å; V2009-L2012 PolarHBondContact O-N 2.84Å; L2012-L2014 VanDerWaalsContact C-N 3.33Å; L2012-V2015 PolarHBondContact O-N 3.22Å; L2012-Y2016 WeakPolarHBondContact O-CB 3.34Å; L2012-Y2016 PolarHBondContact O-N 3.12Å |
| 2013 | L | 78.4 | Confident | 74.6 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 172.3 | -77.6 | 177 | 0 | 0 | 0 | 111 | I1938 L1941 H1942 L1945 V2009 E2010 V2011 Y2016 C2017 I2031 | I1938-L2013 HydrophobicContact CG2-CD2 3.7Å; L1941-L2013 HydrophobicContact CD2-CD2 4.23Å; L1941-L2013 HydrophobicContact CG-CD2 4.35Å; H1942-L2013 HydrophobicContact CB-CD1 4.15Å; H1942-L2013 HydrophobicContact CB-CD2 4.19Å; H1942-L2013 VanDerWaalsContact CD2-CD1 3.49Å; H1942-L2013 WeakPolarHBondContact CD2-CD1 3.47Å; L1945-L2013 HydrophobicContact CD1-CD2 4.11Å; L1945-L2013 HydrophobicContact CD1-CG 4.08Å; V2009-L2013 HydrophobicContact CG1-CD1 4.23Å; V2009-L2013 WeakPolarHBondContact O-CB 3.44Å; V2009-L2013 VanDerWaalsContact O-CG 3.28Å; V2009-L2013 WeakPolarHBondContact O-CG 3.29Å; V2009-L2013 PolarHBondContact O-N 2.89Å; E2010-L2013 PolarHBondContact O-N 3.47Å; V2011-L2013 PolarHBondContact O-N 3.02Å; L2013-Y2016 WeakPolarHBondContact O-CB 3.27Å; L2013-Y2016 PolarHBondContact O-N 3.49Å; L2013-C2017 WeakPolarHBondContact O-CB 3.44Å; L2013-C2017 PolarHBondContact O-N 3.09Å; L2013-C2017 PolarHBondContact O-SG 3.03Å; L2013-I2031 HydrophobicContact CD1-CD1 3.97Å; L2013-I2031 HydrophobicContact CD2-CD1 4.4Å |
| 2014 | L | 75.8 | Confident | 74 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.3 | -79.5 | 163.5 | 0 | 0 | 0 | 113.1 | L1744 L1777 F1829 F1831 E2010 V2011 L2012 Y2016 C2017 Q2018 | L1744-L2014 HydrophobicContact CD1-CD1 3.22Å; L1744-L2014 HydrophobicContact CD2-CD1 3.53Å; L1744-L2014 HydrophobicContact CG-CD1 3.98Å; L1777-L2014 HydrophobicContact CD1-CD1 4.37Å; L1777-L2014 HydrophobicContact CD1-CD2 3.73Å; L1777-L2014 HydrophobicContact CD1-CG 4.44Å; L1777-L2014 HydrophobicContact CD2-CD1 3.73Å; L1777-L2014 HydrophobicContact CD2-CD2 4Å; L1777-L2014 HydrophobicContact CD2-CG 4.49Å; F1829-L2014 HydrophobicContact CZ-CD2 4.35Å; F1829-L2014 HydrophobicContact CZ-CG 4.4Å; F1831-L2014 HydrophobicContact CD2-CD2 4.31Å; F1831-L2014 HydrophobicContact CE2-CD2 4.13Å; E2010-L2014 WeakPolarHBondContact O-CB 3.47Å; E2010-L2014 WeakPolarHBondContact O-CD1 3.39Å; E2010-L2014 WeakPolarHBondContact O-CG 3.48Å; E2010-L2014 PolarHBondContact O-N 3.31Å; V2011-L2014 PolarHBondContact O-N 3.28Å; L2012-L2014 VanDerWaalsContact C-N 3.33Å; L2014-Y2016 VanDerWaalsContact C-N 3.31Å; L2014-Y2016 PolarHBondContact O-N 3.24Å; L2014-C2017 PolarHBondContact O-N 3.39Å; L2014-Q2018 WeakPolarHBondContact O-CB 3.46Å; L2014-Q2018 VanDerWaalsContact O-CG 3.3Å; L2014-Q2018 WeakPolarHBondContact O-CG 3.49Å; L2014-Q2018 PolarHBondContact O-N 3.29Å |
| 2015 | V | 78.3 | Confident | 73.2 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I1976 V2011 L2012 Q2018 M2019 | I1976-V2015 HydrophobicContact CG2-CG1 4.2Å; V2011-V2015 WeakPolarHBondContact O-CG2 3.4Å; V2011-V2015 PolarHBondContact O-N 3.45Å; L2012-V2015 PolarHBondContact O-N 3.22Å; V2015-Q2018 PolarHBondContact O-N 3.17Å; V2015-M2019 WeakPolarHBondContact O-CB 3.29Å; V2015-M2019 PolarHBondContact O-N 2.84Å |
| 2016 | Y | 80.2 | Confident | 72.7 | Confident | 6 Ų | 6 | 44 Ų | 44 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 175.8 | -173.3 | -109.6 | 0 | 0 | 0 | 111.7 | E1937 I1938 L1941 I1976 K1979 L2012 L2013 L2014 Q2018 M2019 L2020 | E1937-Y2016 PolarHBondContact OE1-OH 2.94Å; I1938-Y2016 HydrophobicContact CG1-CD1 4.39Å; I1938-Y2016 HydrophobicContact CG1-CE1 4.25Å; L1941-Y2016 HydrophobicContact CD2-CD1 3.35Å; L1941-Y2016 HydrophobicContact CD2-CD2 3.85Å; L1941-Y2016 HydrophobicContact CD2-CE1 3.73Å; L1941-Y2016 HydrophobicContact CD2-CE2 4.2Å; L1941-Y2016 HydrophobicContact CD2-CG 3.41Å; L1941-Y2016 VanDerWaalsContact CD2-CG 3.41Å; I1976-Y2016 HydrophobicContact CG1-CD2 3.95Å; I1976-Y2016 HydrophobicContact CG1-CG 4.27Å; I1976-Y2016 HydrophobicContact CG2-CD2 4.34Å; K1979-Y2016 VanDerWaalsContact CE-OH 3.3Å; K1979-Y2016 WeakPolarHBondContact CE-OH 3.31Å; L2012-Y2016 WeakPolarHBondContact O-CB 3.34Å; L2012-Y2016 PolarHBondContact O-N 3.12Å; L2013-Y2016 WeakPolarHBondContact O-CB 3.27Å; L2013-Y2016 PolarHBondContact O-N 3.49Å; L2014-Y2016 VanDerWaalsContact C-N 3.31Å; L2014-Y2016 PolarHBondContact O-N 3.24Å; Y2016-Q2018 VanDerWaalsContact C-N 3.33Å; Y2016-Q2018 PolarHBondContact O-N 2.98Å; Y2016-M2019 HydrophobicContact CD2-CE 3.52Å; Y2016-M2019 HydrophobicContact CE2-CE 3.46Å; Y2016-M2019 VanDerWaalsContact CE2-CE 3.46Å; Y2016-M2019 HydrophobicContact CG-CE 4.4Å; Y2016-M2019 WeakPolarHBondContact O-CB 3.28Å; Y2016-M2019 PolarHBondContact O-N 3.43Å; Y2016-L2020 HydrophobicContact CD1-CD1 3.71Å; Y2016-L2020 HydrophobicContact CD1-CG 4.24Å; Y2016-L2020 HydrophobicContact CE1-CD1 3.32Å; Y2016-L2020 HydrophobicContact CE1-CD2 4.49Å; Y2016-L2020 HydrophobicContact CE1-CG 3.95Å; Y2016-L2020 WeakPolarHBondContact O-CG 3.47Å; Y2016-L2020 PolarHBondContact O-N 2.95Å |
| 2017 | C | 71.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.4 | -33 | 179.2 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | F1831 L2013 L2014 L2020 A2021 F2027 | F1831-C2017 HydrophobicContact CD1-CB 3.87Å; F1831-C2017 HydrophobicContact CD2-CB 3.72Å; F1831-C2017 HydrophobicContact CE1-CB 3.56Å; F1831-C2017 HydrophobicContact CE2-CB 3.32Å; F1831-C2017 HydrophobicContact CG-CB 3.96Å; F1831-C2017 HydrophobicContact CZ-CB 3.24Å; L2013-C2017 WeakPolarHBondContact O-CB 3.44Å; L2013-C2017 PolarHBondContact O-N 3.09Å; L2013-C2017 PolarHBondContact O-SG 3.03Å; L2014-C2017 PolarHBondContact O-N 3.39Å; C2017-L2020 PolarHBondContact O-N 2.96Å; C2017-A2021 WeakPolarHBondContact O-CB 3.48Å; C2017-A2021 PolarHBondContact O-N 3.36Å; C2017-F2027 HydrophobicContact CB-CZ 4.28Å |
| 2018 | Q | 72.3 | Confident | 72.2 | Confident | 64 Ų | 64 | 40.1 Ų | 40.1 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.3 | -47.5 | 169 | -77.7 | 178.2 | -12.2 | 0 | 0 | 111.6 | L2014 V2015 Y2016 L2020 A2021 E2022 | L2014-Q2018 WeakPolarHBondContact O-CB 3.46Å; L2014-Q2018 VanDerWaalsContact O-CG 3.3Å; L2014-Q2018 WeakPolarHBondContact O-CG 3.49Å; L2014-Q2018 PolarHBondContact O-N 3.29Å; V2015-Q2018 PolarHBondContact O-N 3.17Å; Y2016-Q2018 VanDerWaalsContact C-N 3.33Å; Y2016-Q2018 PolarHBondContact O-N 2.98Å; Q2018-L2020 VanDerWaalsContact C-N 3.3Å; Q2018-L2020 PolarHBondContact O-N 2.99Å; Q2018-A2021 PolarHBondContact O-N 3.02Å; Q2018-A2021 VanDerWaalsContact O-N 3.15Å; Q2018-E2022 PolarHBondContact O-N 3.27Å; Q2018-E2022 VanDerWaalsContact O-N 3.07Å |
| 2019 | M | 75.4 | Confident | 71.6 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 6% | 0.064 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -37 | 177.3 | -179 | -80.4 | -55.9 | 0 | 0 | 112.2 | T1973 V2015 Y2016 E2022 K2023 | T1973-M2019 HydrophobicContact CG2-CB 3.81Å; T1973-M2019 HydrophobicContact CG2-CG 3.64Å; V2015-M2019 WeakPolarHBondContact O-CB 3.29Å; V2015-M2019 PolarHBondContact O-N 2.84Å; Y2016-M2019 HydrophobicContact CD2-CE 3.52Å; Y2016-M2019 HydrophobicContact CE2-CE 3.46Å; Y2016-M2019 VanDerWaalsContact CE2-CE 3.46Å; Y2016-M2019 HydrophobicContact CG-CE 4.4Å; Y2016-M2019 WeakPolarHBondContact O-CB 3.28Å; Y2016-M2019 PolarHBondContact O-N 3.43Å; M2019-E2022 PolarHBondContact O-N 3.1Å; M2019-K2023 HydrophobicContact SD-CD 3.79Å; M2019-K2023 VanDerWaalsContact SD-CE 3.54Å; M2019-K2023 PolarHBondContact SD-NZ 3.35Å |
| 2020 | L | 71.2 | Confident | 71 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 172.9 | -74 | 178.7 | 0 | 0 | 0 | 112.1 | L1934 I1938 Y2016 C2017 Q2018 E2022 K2023 N2024 F2027 | L1934-L2020 HydrophobicContact CD1-CD1 3.93Å; I1938-L2020 HydrophobicContact CD1-CD1 4.23Å; I1938-L2020 HydrophobicContact CG1-CD1 4.42Å; Y2016-L2020 HydrophobicContact CD1-CD1 3.71Å; Y2016-L2020 HydrophobicContact CD1-CG 4.24Å; Y2016-L2020 HydrophobicContact CE1-CD1 3.32Å; Y2016-L2020 HydrophobicContact CE1-CD2 4.49Å; Y2016-L2020 HydrophobicContact CE1-CG 3.95Å; Y2016-L2020 WeakPolarHBondContact O-CG 3.47Å; Y2016-L2020 PolarHBondContact O-N 2.95Å; C2017-L2020 PolarHBondContact O-N 2.96Å; Q2018-L2020 VanDerWaalsContact C-N 3.3Å; Q2018-L2020 PolarHBondContact O-N 2.99Å; L2020-E2022 PolarHBondContact O-N 3Å; L2020-K2023 CarbonylContact O-C 3.58Å; L2020-K2023 WeakPolarHBondContact O-CA 3.37Å; L2020-K2023 PolarHBondContact O-N 3Å; L2020-N2024 PolarHBondContact O-N 2.97Å; L2020-F2027 HydrophobicContact CB-CE1 3.72Å; L2020-F2027 HydrophobicContact CB-CZ 3.75Å; L2020-F2027 HydrophobicContact CD1-CZ 4.34Å |
| 2021 | A | 64.7 | Low | 70.7 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65 | -29.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C2017 Q2018 K2023 F2027 | C2017-A2021 WeakPolarHBondContact O-CB 3.48Å; C2017-A2021 PolarHBondContact O-N 3.36Å; Q2018-A2021 PolarHBondContact O-N 3.02Å; Q2018-A2021 VanDerWaalsContact O-N 3.15Å; A2021-K2023 VanDerWaalsContact C-N 3.25Å; A2021-K2023 PolarHBondContact O-N 3.04Å; A2021-F2027 HydrophobicContact CB-CE1 4.08Å |
| 2022 | E | 67.6 | Low | 70.1 | Confident | 164 Ų | 164 | 41 Ų | 41 | 77% | 0.766 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.1 | -22 | 171 | -69.6 | 179.6 | 172.8 | 0 | 0 | 113.1 | Q2018 M2019 L2020 | Q2018-E2022 PolarHBondContact O-N 3.27Å; Q2018-E2022 VanDerWaalsContact O-N 3.07Å; M2019-E2022 PolarHBondContact O-N 3.1Å; L2020-E2022 PolarHBondContact O-N 3Å |
| 2023 | K | 66.2 | Low | 69.2 | Low | 146 Ų | 146 | 44.4 Ų | 44.4 | 64% | 0.635 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -101.7 | -42.6 | -176.8 | -71.7 | 179.5 | 178.6 | 171 | 0 | 114 | M2019 L2020 A2021 | M2019-K2023 HydrophobicContact SD-CD 3.79Å; M2019-K2023 VanDerWaalsContact SD-CE 3.54Å; M2019-K2023 PolarHBondContact SD-NZ 3.35Å; L2020-K2023 CarbonylContact O-C 3.58Å; L2020-K2023 WeakPolarHBondContact O-CA 3.37Å; L2020-K2023 PolarHBondContact O-N 3Å; A2021-K2023 VanDerWaalsContact C-N 3.25Å; A2021-K2023 PolarHBondContact O-N 3.04Å |
| 2024 | N | 55.4 | Low | 68.2 | Low | 68 Ų | 68 | 47.3 Ų | 47.3 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -110.6 | 121.6 | -176.3 | -70.7 | -19.5 | 0 | 0 | 0 | 108.7 | L2020 Q2026 F2027 | L2020-N2024 PolarHBondContact O-N 2.97Å; N2024-Q2026 VanDerWaalsContact C-N 3.33Å; N2024-Q2026 PolarHBondContact O-N 2.88Å; N2024-F2027 HydrophobicContact CB-CD1 4.36Å |
| 2025 | K | 58.9 | Low | 67.6 | Low | 179 Ų | 179 | 50.6 Ų | 50.6 | 78% | 0.778 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -64.7 | -31.6 | -170.6 | -73.7 | -173.1 | 175.3 | -173.4 | 0 | 114 | ||
| 2026 | Q | 63.9 | Low | 67 | Low | 70 Ų | 70 | 53.9 Ų | 53.9 | 33% | 0.327 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -150 | 116.3 | -178.4 | -69.5 | 178.7 | -29.2 | 0 | 0 | 111.1 | S1833 E1931 A1932 N2024 | S1833-Q2026 VanDerWaalsContact OG-CA 3.31Å; S1833-Q2026 WeakPolarHBondContact OG-CA 3.36Å; E1931-Q2026 HydrophobicContact CG-CB 3.98Å; A1932-Q2026 PolarHBondContact N-O 3.28Å; N2024-Q2026 VanDerWaalsContact C-N 3.33Å; N2024-Q2026 PolarHBondContact O-N 2.88Å |
| 2027 | F | 68.8 | Low | 66.3 | Low | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 153.1 | 174.8 | 81.1 | -90.4 | 0 | 0 | 0 | 110.9 | F1831 S1833 A1932 L1934 I1938 C2017 L2020 A2021 N2024 | F1831-F2027 AromaticContact CD1-CE2 3.75Å; F1831-F2027 HydrophobicContact CD1-CE2 3.75Å; F1831-F2027 AromaticContact CD1-CZ 3.81Å; F1831-F2027 HydrophobicContact CD1-CZ 3.81Å; F1831-F2027 HydrophobicContact CE1-CE1 4.22Å; F1831-F2027 AromaticContact CE1-CE2 3.93Å; F1831-F2027 HydrophobicContact CE1-CE2 3.93Å; F1831-F2027 AromaticContact CE1-CZ 3.47Å; F1831-F2027 HydrophobicContact CE1-CZ 3.47Å; F1831-F2027 VanDerWaalsContact CE1-CZ 3.47Å; F1831-F2027 HydrophobicContact CZ-CZ 4.48Å; S1833-F2027 PolarHBondContact N-O 3.14Å; S1833-F2027 VanDerWaalsContact N-O 3.16Å; S1833-F2027 PolarHBondContact OG-N 3.42Å; S1833-F2027 PolarHBondContact OG-O 3.12Å; S1833-F2027 VanDerWaalsContact OG-O 3.1Å; A1932-F2027 HydrophobicContact CB-CB 4.33Å; A1932-F2027 WeakPolarHBondContact O-CA 3.33Å; A1932-F2027 VanDerWaalsContact O-CB 3.24Å; A1932-F2027 WeakPolarHBondContact O-CB 3.49Å; L1934-F2027 HydrophobicContact CB-CD2 4.04Å; L1934-F2027 HydrophobicContact CD1-CB 3.99Å; L1934-F2027 HydrophobicContact CD1-CD1 4.33Å; L1934-F2027 HydrophobicContact CD1-CD2 3.67Å; L1934-F2027 HydrophobicContact CD1-CE2 4.21Å; L1934-F2027 HydrophobicContact CD1-CG 3.74Å; L1934-F2027 HydrophobicContact CG-CB 4.2Å; L1934-F2027 HydrophobicContact CG-CD2 4.09Å; L1934-F2027 HydrophobicContact CG-CG 4.32Å; I1938-F2027 HydrophobicContact CD1-CE2 3.91Å; C2017-F2027 HydrophobicContact CB-CZ 4.28Å; L2020-F2027 HydrophobicContact CB-CE1 3.72Å; L2020-F2027 HydrophobicContact CB-CZ 3.75Å; L2020-F2027 HydrophobicContact CD1-CZ 4.34Å; A2021-F2027 HydrophobicContact CB-CE1 4.08Å; N2024-F2027 HydrophobicContact CB-CD1 4.36Å |
| 2028 | H | 67.4 | Low | 66.2 | Low | 9 Ų | 9 | 59.1 Ų | 59.1 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 155.7 | 170.7 | 61.6 | -86.3 | 0 | 0 | 0 | 110.4 | F1831 L1832 E1931 A1932 D1933 L1934 | F1831-H2028 WeakPolarHBondContact O-CA 3.42Å; L1832-H2028 HydrophobicContact CD2-CB 3.73Å; E1931-H2028 IonicContact OE2-ND1 3.74Å; A1932-H2028 PolarHBondContact O-N 3.17Å; D1933-H2028 IonicContact OD1-NE2 3.45Å; L1934-H2028 PolarHBondContact N-O 2.84Å |
| 2029 | A | 68.1 | Low | 66.3 | Low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 128.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1831 S1935 I1938 | F1831-A2029 HydrophobicContact CB-CB 4.41Å; F1831-A2029 PolarHBondContact N-O 3.33Å; F1831-A2029 PolarHBondContact O-N 3.46Å; S1935-A2029 WeakPolarHBondContact OG-CA 3.48Å; I1938-A2029 HydrophobicContact CB-CB 4.41Å; I1938-A2029 HydrophobicContact CD1-CB 3.29Å; I1938-A2029 HydrophobicContact CG1-CB 4.36Å |
| 2030 | I | 69.9 | Low | 66.3 | Low | 22 Ų | 22 | 61.3 Ų | 61.3 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.1 | 177.3 | -65.9 | 155.6 | 0 | 0 | 0 | 109 | P1828 F1829 L1830 H1921 M1925 S1935 | P1828-I2030 HydrophobicContact CB-CG2 4.19Å; F1829-I2030 WeakPolarHBondContact O-CA 3.42Å; L1830-I2030 HydrophobicContact CD1-CD1 4.03Å; L1830-I2030 HydrophobicContact CD1-CG1 3.41Å; L1830-I2030 VanDerWaalsContact CD1-CG1 3.41Å; H1921-I2030 VanDerWaalsContact NE2-CD1 3.35Å; H1921-I2030 WeakPolarHBondContact NE2-CD1 3.44Å; M1925-I2030 HydrophobicContact CE-CD1 4.31Å; M1925-I2030 HydrophobicContact CG-CD1 4.02Å; M1925-I2030 HydrophobicContact SD-CD1 3.12Å; M1925-I2030 WeakPolarHBondContact SD-CD1 3.24Å; S1935-I2030 WeakPolarHBondContact CB-O 3.11Å; S1935-I2030 PolarHBondContact OG-N 3.47Å |
| 2031 | I | 68.6 | Low | 66.6 | Low | 15 Ų | 15 | 61.7 Ų | 61.7 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 104.7 | 179.4 | -45.6 | 167.3 | 0 | 0 | 0 | 108.7 | P1828 F1829 I1938 A1939 H1942 L2013 | P1828-I2031 WeakPolarHBondContact CA-O 3.47Å; F1829-I2031 HydrophobicContact CB-CB 4.24Å; F1829-I2031 HydrophobicContact CD1-CD1 3.65Å; F1829-I2031 HydrophobicContact CD1-CG1 4.23Å; F1829-I2031 HydrophobicContact CE1-CD1 4.26Å; F1829-I2031 HydrophobicContact CG-CD1 4.44Å; F1829-I2031 PolarHBondContact N-O 3.12Å; F1829-I2031 PolarHBondContact O-N 2.64Å; I1938-I2031 HydrophobicContact CB-CD1 4.34Å; I1938-I2031 HydrophobicContact CG2-CD1 3.38Å; I1938-I2031 HydrophobicContact CG2-CG1 4.07Å; A1939-I2031 HydrophobicContact CB-CG2 4.34Å; H1942-I2031 HydrophobicContact CB-CD1 4.29Å; H1942-I2031 HydrophobicContact CB-CG2 4.11Å; H1942-I2031 WeakPolarHBondContact ND1-CG2 3.27Å; L2013-I2031 HydrophobicContact CD1-CD1 3.97Å; L2013-I2031 HydrophobicContact CD2-CD1 4.4Å |
| 2032 | G | 67.1 | Low | 67.4 | Low | 40 Ų | 40 | 63.7 Ų | 63.7 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 142.4 | 167.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2034 | G2032-S2034 PolarHBondContact O-N 3.41Å; G2032-S2034 VanDerWaalsContact O-N 3.12Å |
| 2033 | P | 62.8 | Low | 68.2 | Low | 71 Ų | 71 | 58.2 Ų | 58.2 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | trans | -75 | 103.5 | -179.6 | -10.4 | 28.6 | 0 | 0 | 0 | 109.4 | T2035 L2036 | P2033-T2035 PolarHBondContact O-N 3.21Å; P2033-L2036 HydrophobicContact CB-CB 4.35Å; P2033-L2036 HydrophobicContact CB-CD1 3.71Å; P2033-L2036 HydrophobicContact CB-CG 3.84Å; P2033-L2036 HydrophobicContact CG-CD1 3.57Å; P2033-L2036 HydrophobicContact CG-CG 4.28Å; P2033-L2036 PolarHBondContact O-N 3.17Å | ||
| 2034 | S | 58.3 | Low | 69 | Low | 64 Ų | 64 | 51.3 Ų | 51.3 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.1 | -30.8 | 176.6 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | G2032 L2036 | G2032-S2034 PolarHBondContact O-N 3.41Å; G2032-S2034 VanDerWaalsContact O-N 3.12Å; S2034-L2036 VanDerWaalsContact C-N 3.3Å; S2034-L2036 PolarHBondContact O-N 3.17Å |
| 2035 | T | 64.1 | Low | 70.4 | Confident | 84 Ų | 84 | 51.9 Ų | 51.9 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.9 | -28.3 | 179.7 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | P2033 A2037 E2039 | P2033-T2035 PolarHBondContact O-N 3.21Å; T2035-A2037 PolarHBondContact O-N 3.31Å; T2035-E2039 WeakPolarHBondContact O-CG 3.43Å; T2035-E2039 PolarHBondContact O-N 2.96Å; T2035-E2039 VanDerWaalsContact O-N 3.12Å |
| 2036 | L | 65.2 | Low | 71.7 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 38% | 0.377 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.6 | -35 | -177.3 | -77.7 | 175.3 | 0 | 0 | 0 | 112.5 | P2033 S2034 A2040 | P2033-L2036 HydrophobicContact CB-CB 4.35Å; P2033-L2036 HydrophobicContact CB-CD1 3.71Å; P2033-L2036 HydrophobicContact CB-CG 3.84Å; P2033-L2036 HydrophobicContact CG-CD1 3.57Å; P2033-L2036 HydrophobicContact CG-CG 4.28Å; P2033-L2036 PolarHBondContact O-N 3.17Å; S2034-L2036 VanDerWaalsContact C-N 3.3Å; S2034-L2036 PolarHBondContact O-N 3.17Å; L2036-A2040 WeakPolarHBondContact O-CB 3.25Å; L2036-A2040 PolarHBondContact O-N 2.87Å |
| 2037 | A | 64.8 | Low | 72.6 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.1 | -43.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1827 T2035 A2040 C2041 | F1827-A2037 HydrophobicContact CD2-CB 4.35Å; F1827-A2037 HydrophobicContact CE2-CB 3.77Å; F1827-A2037 HydrophobicContact CZ-CB 4.36Å; T2035-A2037 PolarHBondContact O-N 3.31Å; A2037-A2040 PolarHBondContact O-N 3.43Å; A2037-C2041 WeakPolarHBondContact O-CB 3.44Å; A2037-C2041 PolarHBondContact O-N 3.39Å; A2037-C2041 PolarHBondContact O-SG 2.73Å; A2037-C2041 VanDerWaalsContact O-SG 3.34Å |
| 2038 | E | 70.1 | Confident | 73.3 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 177.1 | -68.7 | -167.4 | 150 | 0 | 0 | 111.8 | R1922 A2040 C2041 V2042 | R1922-E2038 IonicContact CZ-OE1 3.41Å; R1922-E2038 IonicContact NE-OE1 2.81Å; R1922-E2038 PolarHBondContact NE-OE1 3.12Å; R1922-E2038 VanDerWaalsContact NE-OE1 3.1Å; R1922-E2038 IonicContact NH2-OE1 3.07Å; E2038-A2040 VanDerWaalsContact C-N 3.31Å; E2038-A2040 PolarHBondContact O-N 2.98Å; E2038-C2041 PolarHBondContact O-N 3.32Å; E2038-V2042 WeakPolarHBondContact O-CG2 3.3Å; E2038-V2042 PolarHBondContact O-N 3.31Å |
| 2039 | E | 74.8 | Confident | 74.2 | Confident | 120 Ų | 120 | 52.7 Ų | 52.7 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 173.2 | -74 | 179.3 | -174.1 | 0 | 0 | 112 | T2035 V2042 T2043 | T2035-E2039 WeakPolarHBondContact O-CG 3.43Å; T2035-E2039 PolarHBondContact O-N 2.96Å; T2035-E2039 VanDerWaalsContact O-N 3.12Å; E2039-V2042 PolarHBondContact O-N 3.05Å; E2039-T2043 WeakPolarHBondContact O-CB 3.38Å; E2039-T2043 WeakPolarHBondContact O-CG2 3.32Å; E2039-T2043 PolarHBondContact O-N 3.25Å; E2039-T2043 PolarHBondContact O-OG1 2.89Å |
| 2040 | A | 74.2 | Confident | 75.1 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1820 I1824 L2036 A2037 E2038 T2043 L2044 | V1820-A2040 HydrophobicContact CG1-CB 4.27Å; I1824-A2040 HydrophobicContact CD1-CB 4.35Å; I1824-A2040 HydrophobicContact CG1-CB 3.65Å; L2036-A2040 WeakPolarHBondContact O-CB 3.25Å; L2036-A2040 PolarHBondContact O-N 2.87Å; A2037-A2040 PolarHBondContact O-N 3.43Å; E2038-A2040 VanDerWaalsContact C-N 3.31Å; E2038-A2040 PolarHBondContact O-N 2.98Å; A2040-T2043 WeakPolarHBondContact CA-OG1 3.36Å; A2040-T2043 PolarHBondContact O-N 3.45Å; A2040-T2043 PolarHBondContact O-OG1 3.24Å; A2040-L2044 WeakPolarHBondContact O-CB 3.08Å; A2040-L2044 PolarHBondContact O-N 3.47Å |
| 2041 | C | 77.8 | Confident | 75.9 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 14% | 0.142 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 174.6 | -76.3 | 0 | 0 | 0 | 0 | 112.2 | S1914 A2037 E2038 L2044 M2045 | S1914-C2041 WeakPolarHBondContact CB-SG 3.48Å; A2037-C2041 WeakPolarHBondContact O-CB 3.44Å; A2037-C2041 PolarHBondContact O-N 3.39Å; A2037-C2041 PolarHBondContact O-SG 2.73Å; A2037-C2041 VanDerWaalsContact O-SG 3.34Å; E2038-C2041 PolarHBondContact O-N 3.32Å; C2041-L2044 PolarHBondContact O-N 3.28Å; C2041-M2045 WeakPolarHBondContact O-CB 3.47Å; C2041-M2045 PolarHBondContact O-N 3.36Å |
| 2042 | V | 82.4 | Confident | 76.7 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | E2038 E2039 L2044 M2045 E2046 | E2038-V2042 WeakPolarHBondContact O-CG2 3.3Å; E2038-V2042 PolarHBondContact O-N 3.31Å; E2039-V2042 PolarHBondContact O-N 3.05Å; V2042-L2044 PolarHBondContact O-N 2.85Å; V2042-M2045 WeakPolarHBondContact O-CB 3.37Å; V2042-M2045 PolarHBondContact O-N 3.19Å; V2042-E2046 WeakPolarHBondContact O-CG 3.32Å; V2042-E2046 PolarHBondContact O-N 3.21Å |
| 2043 | T | 83.3 | Confident | 77.7 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 177.1 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | V1820 E2039 A2040 M2045 E2046 F2047 | V1820-T2043 WeakPolarHBondContact CG1-OG1 3.39Å; E2039-T2043 WeakPolarHBondContact O-CB 3.38Å; E2039-T2043 WeakPolarHBondContact O-CG2 3.32Å; E2039-T2043 PolarHBondContact O-N 3.25Å; E2039-T2043 PolarHBondContact O-OG1 2.89Å; A2040-T2043 WeakPolarHBondContact CA-OG1 3.36Å; A2040-T2043 PolarHBondContact O-N 3.45Å; A2040-T2043 PolarHBondContact O-OG1 3.24Å; T2043-M2045 VanDerWaalsContact C-N 3.3Å; T2043-M2045 PolarHBondContact O-N 3.43Å; T2043-E2046 PolarHBondContact O-N 3.01Å; T2043-F2047 WeakPolarHBondContact O-CD2 3.36Å; T2043-F2047 PolarHBondContact O-N 2.92Å |
| 2044 | L | 83.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 175.9 | -145 | 109.2 | 0 | 0 | 0 | 112 | V1820 L1821 I1824 L1907 F1911 A2040 C2041 V2042 N2048 | V1820-L2044 HydrophobicContact CB-CD1 4.07Å; V1820-L2044 HydrophobicContact CG1-CB 4.36Å; V1820-L2044 HydrophobicContact CG1-CD1 3.68Å; L1821-L2044 HydrophobicContact CD2-CD1 3.91Å; L1821-L2044 HydrophobicContact CG-CD1 4.31Å; I1824-L2044 HydrophobicContact CD1-CD1 3.76Å; L1907-L2044 HydrophobicContact CD2-CD1 4.31Å; L1907-L2044 HydrophobicContact CD2-CD2 4.32Å; L1907-L2044 HydrophobicContact CD2-CG 4.44Å; L1907-L2044 WeakPolarHBondContact O-CD2 2.82Å; F1911-L2044 HydrophobicContact CB-CD2 3.61Å; A2040-L2044 WeakPolarHBondContact O-CB 3.08Å; A2040-L2044 PolarHBondContact O-N 3.47Å; C2041-L2044 PolarHBondContact O-N 3.28Å; V2042-L2044 PolarHBondContact O-N 2.85Å; L2044-N2048 WeakPolarHBondContact O-CB 3.42Å; L2044-N2048 PolarHBondContact O-N 2.97Å; L2044-N2048 PolarHBondContact O-ND2 2.97Å |
| 2045 | M | 84 | Confident | 80.1 | Confident | 81 Ų | 81 | 55 Ų | 55 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 172.7 | -173.6 | -178.7 | 67.8 | 0 | 0 | 111.1 | F1911 C2041 V2042 T2043 F2047 N2048 I2049 | F1911-M2045 HydrophobicContact CD2-CB 4.17Å; F1911-M2045 HydrophobicContact CE2-CB 3.75Å; F1911-M2045 HydrophobicContact CE2-CG 4.19Å; F1911-M2045 HydrophobicContact CE2-SD 4.48Å; F1911-M2045 HydrophobicContact CZ-CB 4.31Å; F1911-M2045 HydrophobicContact CZ-CG 4.24Å; F1911-M2045 HydrophobicContact CZ-SD 4.31Å; C2041-M2045 WeakPolarHBondContact O-CB 3.47Å; C2041-M2045 PolarHBondContact O-N 3.36Å; V2042-M2045 WeakPolarHBondContact O-CB 3.37Å; V2042-M2045 PolarHBondContact O-N 3.19Å; T2043-M2045 VanDerWaalsContact C-N 3.3Å; T2043-M2045 PolarHBondContact O-N 3.43Å; M2045-F2047 VanDerWaalsContact C-N 3.3Å; M2045-F2047 PolarHBondContact O-N 3.46Å; M2045-N2048 PolarHBondContact O-N 3.45Å; M2045-N2048 VanDerWaalsContact O-N 3.14Å; M2045-I2049 HydrophobicContact CG-CD1 4.27Å; M2045-I2049 WeakPolarHBondContact O-CG1 3.32Å; M2045-I2049 PolarHBondContact O-N 2.77Å |
| 2046 | E | 86.2 | Confident | 81 | Confident | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.7 | -41.7 | 175.4 | -70.3 | 178.8 | 172.9 | 0 | 0 | 111.8 | V2042 T2043 I2049 S2050 | V2042-E2046 WeakPolarHBondContact O-CG 3.32Å; V2042-E2046 PolarHBondContact O-N 3.21Å; T2043-E2046 PolarHBondContact O-N 3.01Å; E2046-I2049 PolarHBondContact O-N 3.39Å; E2046-S2050 PolarHBondContact O-N 2.96Å |
| 2047 | F | 83.2 | Confident | 81.8 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 23% | 0.228 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 173.8 | -87.3 | -63.5 | 0 | 0 | 0 | 112.5 | N1816 V1820 T2043 M2045 I2049 S2050 L2051 | N1816-F2047 HydrophobicContact CB-CE1 3.92Å; N1816-F2047 HydrophobicContact CB-CZ 3.96Å; V1820-F2047 HydrophobicContact CG2-CD2 3.98Å; V1820-F2047 HydrophobicContact CG2-CE2 3.61Å; T2043-F2047 WeakPolarHBondContact O-CD2 3.36Å; T2043-F2047 PolarHBondContact O-N 2.92Å; M2045-F2047 VanDerWaalsContact C-N 3.3Å; M2045-F2047 PolarHBondContact O-N 3.46Å; F2047-I2049 VanDerWaalsContact C-N 3.32Å; F2047-I2049 PolarHBondContact O-N 3.47Å; F2047-S2050 PolarHBondContact O-N 3.46Å; F2047-L2051 VanDerWaalsContact O-CB 3.28Å; F2047-L2051 WeakPolarHBondContact O-CB 3.47Å; F2047-L2051 WeakPolarHBondContact O-CG 3.4Å; F2047-L2051 PolarHBondContact O-N 2.98Å |
| 2048 | N | 84.7 | Confident | 82.7 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 178.3 | -88 | -58.2 | 0 | 0 | 0 | 112.5 | H1904 F1908 L2044 M2045 S2052 | H1904-N2048 PolarHBondContact NE2-O 3.21Å; F1908-N2048 PolarHBondContact N-OD1 3.36Å; L2044-N2048 WeakPolarHBondContact O-CB 3.42Å; L2044-N2048 PolarHBondContact O-N 2.97Å; L2044-N2048 PolarHBondContact O-ND2 2.97Å; M2045-N2048 PolarHBondContact O-N 3.45Å; M2045-N2048 VanDerWaalsContact O-N 3.14Å; N2048-S2052 VanDerWaalsContact O-CB 3.32Å; N2048-S2052 WeakPolarHBondContact O-CB 3.48Å; N2048-S2052 PolarHBondContact O-N 2.98Å |
| 2049 | I | 86.4 | Confident | 83.3 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -50.6 | 175.1 | -66 | 165.8 | 0 | 0 | 0 | 109.6 | M2045 E2046 F2047 L2051 S2052 E2053 | M2045-I2049 HydrophobicContact CG-CD1 4.27Å; M2045-I2049 WeakPolarHBondContact O-CG1 3.32Å; M2045-I2049 PolarHBondContact O-N 2.77Å; E2046-I2049 PolarHBondContact O-N 3.39Å; F2047-I2049 VanDerWaalsContact C-N 3.32Å; F2047-I2049 PolarHBondContact O-N 3.47Å; I2049-L2051 PolarHBondContact O-N 2.77Å; I2049-S2052 WeakPolarHBondContact O-CB 3.42Å; I2049-S2052 PolarHBondContact O-N 3.45Å; I2049-E2053 PolarHBondContact O-N 2.93Å; I2049-E2053 VanDerWaalsContact O-N 3.11Å |
| 2050 | S | 85.4 | Confident | 83.6 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | -179.8 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | Q1813 E2046 F2047 S2052 E2053 Q2054 | Q1813-S2050 PolarHBondContact NE2-OG 3.28Å; E2046-S2050 PolarHBondContact O-N 2.96Å; F2047-S2050 PolarHBondContact O-N 3.46Å; S2050-S2052 VanDerWaalsContact C-N 3.31Å; S2050-S2052 PolarHBondContact O-N 3.29Å; S2050-E2053 PolarHBondContact O-N 3.49Å; S2050-Q2054 WeakPolarHBondContact O-CG 3.37Å; S2050-Q2054 PolarHBondContact O-N 3.26Å |
| 2051 | L | 86.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.5 | -81.2 | 166.9 | 0 | 0 | 0 | 111.6 | V1810 Q1813 F1814 L1907 F2047 I2049 Q2054 I2055 | V1810-L2051 HydrophobicContact CG1-CD2 4.32Å; Q1813-L2051 HydrophobicContact CB-CD2 3.62Å; Q1813-L2051 HydrophobicContact CB-CG 4.21Å; F1814-L2051 HydrophobicContact CD1-CD1 3.91Å; F1814-L2051 HydrophobicContact CD1-CD2 4.01Å; F1814-L2051 HydrophobicContact CD2-CD2 4.26Å; F1814-L2051 HydrophobicContact CE1-CD1 3.77Å; F1814-L2051 HydrophobicContact CE1-CD2 3.89Å; F1814-L2051 HydrophobicContact CE1-CG 4.44Å; F1814-L2051 HydrophobicContact CE2-CD2 4.16Å; F1814-L2051 HydrophobicContact CG-CD2 4.18Å; F1814-L2051 HydrophobicContact CZ-CD2 3.96Å; L1907-L2051 HydrophobicContact CD1-CD1 4.1Å; F2047-L2051 VanDerWaalsContact O-CB 3.28Å; F2047-L2051 WeakPolarHBondContact O-CB 3.47Å; F2047-L2051 WeakPolarHBondContact O-CG 3.4Å; F2047-L2051 PolarHBondContact O-N 2.98Å; I2049-L2051 PolarHBondContact O-N 2.77Å; L2051-Q2054 PolarHBondContact O-N 3.37Å; L2051-I2055 WeakPolarHBondContact O-CB 3.33Å; L2051-I2055 WeakPolarHBondContact O-CD1 3.29Å; L2051-I2055 WeakPolarHBondContact O-CG1 3.36Å; L2051-I2055 PolarHBondContact O-N 2.99Å |
| 2052 | S | 87.1 | Confident | 82.9 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 177.3 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | N2048 I2049 S2050 R2056 | N2048-S2052 VanDerWaalsContact O-CB 3.32Å; N2048-S2052 WeakPolarHBondContact O-CB 3.48Å; N2048-S2052 PolarHBondContact O-N 2.98Å; I2049-S2052 WeakPolarHBondContact O-CB 3.42Å; I2049-S2052 PolarHBondContact O-N 3.45Å; S2050-S2052 VanDerWaalsContact C-N 3.31Å; S2050-S2052 PolarHBondContact O-N 3.29Å; S2052-R2056 WeakPolarHBondContact O-CB 3.47Å; S2052-R2056 PolarHBondContact O-N 3Å; S2052-R2056 PolarHBondContact OG-NH2 3.3Å |
| 2053 | E | 86.4 | Confident | 82.9 | Confident | 114 Ų | 114 | 59.9 Ų | 59.9 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.6 | -69.6 | 177.3 | 173.2 | 0 | 0 | 111.9 | I2049 S2050 R2056 A2057 | I2049-E2053 PolarHBondContact O-N 2.93Å; I2049-E2053 VanDerWaalsContact O-N 3.11Å; S2050-E2053 PolarHBondContact O-N 3.49Å; E2053-R2056 PolarHBondContact O-N 3.15Å; E2053-A2057 PolarHBondContact O-N 2.95Å |
| 2054 | Q | 84.6 | Confident | 82.9 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 179 | -70.5 | -165.1 | -13.2 | 0 | 0 | 112.9 | V1810 Q1813 S2050 L2051 R2056 A2057 L2058 | V1810-Q2054 HydrophobicContact CG2-CB 3.98Å; Q1813-Q2054 VanDerWaalsContact NE2-CD 3.28Å; S2050-Q2054 WeakPolarHBondContact O-CG 3.37Å; S2050-Q2054 PolarHBondContact O-N 3.26Å; L2051-Q2054 PolarHBondContact O-N 3.37Å; Q2054-R2056 VanDerWaalsContact C-N 3.27Å; Q2054-R2056 PolarHBondContact O-N 3.38Å; Q2054-A2057 PolarHBondContact O-N 3.34Å; Q2054-L2058 VanDerWaalsContact O-CB 3.28Å; Q2054-L2058 WeakPolarHBondContact O-CB 3.44Å; Q2054-L2058 PolarHBondContact O-N 3.4Å |
| 2055 | I | 86.7 | Confident | 82.9 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -34.5 | 177.3 | -69.3 | 166.8 | 0 | 0 | 0 | 110.5 | V1810 F1814 L1897 C1900 R1901 H1904 L2051 L2058 A2059 | V1810-I2055 HydrophobicContact CG1-CG1 4.34Å; F1814-I2055 HydrophobicContact CZ-CD1 4.1Å; L1897-I2055 HydrophobicContact CD1-CG2 4.24Å; C1900-I2055 HydrophobicContact CB-CD1 4.27Å; C1900-I2055 HydrophobicContact CB-CG1 4.17Å; C1900-I2055 WeakPolarHBondContact O-CD1 3.28Å; R1901-I2055 HydrophobicContact CG-CG2 3.85Å; H1904-I2055 HydrophobicContact CB-CD1 3.51Å; L2051-I2055 WeakPolarHBondContact O-CB 3.33Å; L2051-I2055 WeakPolarHBondContact O-CD1 3.29Å; L2051-I2055 WeakPolarHBondContact O-CG1 3.36Å; L2051-I2055 PolarHBondContact O-N 2.99Å; I2055-L2058 PolarHBondContact O-N 3.15Å; I2055-A2059 WeakPolarHBondContact O-CB 3.43Å; I2055-A2059 PolarHBondContact O-N 3.06Å |
| 2056 | R | 84.6 | Confident | 82.8 | Confident | 133 Ų | 133 | 62.8 Ų | 62.8 | 50% | 0.502 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -49.6 | 173.4 | -167.2 | -176.3 | -52.3 | 113.7 | 8.1 | 111.4 | S2052 E2053 Q2054 L2058 A2059 E2060 | S2052-R2056 WeakPolarHBondContact O-CB 3.47Å; S2052-R2056 PolarHBondContact O-N 3Å; S2052-R2056 PolarHBondContact OG-NH2 3.3Å; E2053-R2056 PolarHBondContact O-N 3.15Å; Q2054-R2056 VanDerWaalsContact C-N 3.27Å; Q2054-R2056 PolarHBondContact O-N 3.38Å; R2056-L2058 PolarHBondContact O-N 2.8Å; R2056-A2059 WeakPolarHBondContact O-CB 3.42Å; R2056-A2059 PolarHBondContact O-N 3.24Å; R2056-A2059 VanDerWaalsContact O-N 3.13Å; R2056-E2060 PolarHBondContact O-N 3.09Å |
| 2057 | A | 81.4 | Confident | 82.6 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E2053 Q2054 E2060 S2061 | E2053-A2057 PolarHBondContact O-N 2.95Å; Q2054-A2057 PolarHBondContact O-N 3.34Å; A2057-E2060 PolarHBondContact O-N 3.17Å; A2057-S2061 PolarHBondContact O-N 2.8Å; A2057-S2061 VanDerWaalsContact O-N 3.17Å |
| 2058 | L | 83.7 | Confident | 82.6 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 176.4 | -155 | 114.1 | 0 | 0 | 0 | 111.4 | M1806 F1807 V1810 L1897 Q2054 I2055 R2056 E2060 S2061 V2062 | M1806-L2058 HydrophobicContact CE-CD2 4.11Å; M1806-L2058 HydrophobicContact CE-CG 3.92Å; M1806-L2058 HydrophobicContact CG-CD1 4.48Å; M1806-L2058 WeakPolarHBondContact O-CD1 3.37Å; F1807-L2058 HydrophobicContact CD1-CD1 4.26Å; F1807-L2058 HydrophobicContact CD1-CD2 3.39Å; F1807-L2058 HydrophobicContact CD1-CG 4.47Å; F1807-L2058 HydrophobicContact CE1-CD2 3.25Å; F1807-L2058 HydrophobicContact CZ-CD2 4.35Å; V1810-L2058 HydrophobicContact CG2-CD1 3.91Å; L1897-L2058 HydrophobicContact CD1-CB 4.4Å; L1897-L2058 HydrophobicContact CD1-CD2 3.81Å; Q2054-L2058 VanDerWaalsContact O-CB 3.28Å; Q2054-L2058 WeakPolarHBondContact O-CB 3.44Å; Q2054-L2058 PolarHBondContact O-N 3.4Å; I2055-L2058 PolarHBondContact O-N 3.15Å; R2056-L2058 PolarHBondContact O-N 2.8Å; L2058-E2060 VanDerWaalsContact C-N 3.3Å; L2058-E2060 PolarHBondContact O-N 3.31Å; L2058-S2061 WeakPolarHBondContact CA-OG 3.3Å; L2058-S2061 PolarHBondContact O-N 2.85Å; L2058-S2061 PolarHBondContact O-OG 2.95Å; L2058-V2062 HydrophobicContact CD2-CG2 4.49Å; L2058-V2062 WeakPolarHBondContact O-CG2 3.47Å; L2058-V2062 PolarHBondContact O-N 3.1Å |
| 2059 | A | 83.1 | Confident | 82.4 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1897 I2055 R2056 S2061 | L1897-A2059 HydrophobicContact CD1-CB 3.94Å; L1897-A2059 HydrophobicContact CD2-CB 3.81Å; L1897-A2059 HydrophobicContact CG-CB 4.5Å; I2055-A2059 WeakPolarHBondContact O-CB 3.43Å; I2055-A2059 PolarHBondContact O-N 3.06Å; R2056-A2059 WeakPolarHBondContact O-CB 3.42Å; R2056-A2059 PolarHBondContact O-N 3.24Å; R2056-A2059 VanDerWaalsContact O-N 3.13Å; A2059-S2061 VanDerWaalsContact C-N 3.27Å |
| 2060 | E | 80.1 | Confident | 82.1 | Confident | 154 Ų | 154 | 61.1 Ų | 61.1 | 72% | 0.72 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.7 | -23.9 | 172.5 | -71.2 | 172.3 | -167.1 | 0 | 0 | 112.7 | R2056 A2057 L2058 | R2056-E2060 PolarHBondContact O-N 3.09Å; A2057-E2060 PolarHBondContact O-N 3.17Å; L2058-E2060 VanDerWaalsContact C-N 3.3Å; L2058-E2060 PolarHBondContact O-N 3.31Å |
| 2061 | S | 71.9 | Confident | 81.8 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -91.5 | -22.7 | 179.8 | 74.4 | 0 | 0 | 0 | 0 | 115 | M1806 A2057 L2058 A2059 | M1806-S2061 WeakPolarHBondContact CE-OG 3.39Å; A2057-S2061 PolarHBondContact O-N 2.8Å; A2057-S2061 VanDerWaalsContact O-N 3.17Å; L2058-S2061 WeakPolarHBondContact CA-OG 3.3Å; L2058-S2061 PolarHBondContact O-N 2.85Å; L2058-S2061 PolarHBondContact O-OG 2.95Å; A2059-S2061 VanDerWaalsContact C-N 3.27Å |
| 2062 | V | 65.8 | Low | 81.4 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | trans | -73.3 | 0 | 169.3 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | M1806 K1893 E1894 L1897 L2058 | M1806-V2062 HydrophobicContact CE-CB 4.14Å; M1806-V2062 HydrophobicContact CE-CG2 3.14Å; M1806-V2062 HydrophobicContact SD-CG2 4.27Å; K1893-V2062 HydrophobicContact CB-CG1 4.22Å; E1894-V2062 HydrophobicContact CG-CG1 4.38Å; L1897-V2062 HydrophobicContact CB-CG2 4.29Å; L1897-V2062 HydrophobicContact CD2-CB 4.37Å; L1897-V2062 HydrophobicContact CD2-CG2 4.18Å; L2058-V2062 HydrophobicContact CD2-CG2 4.49Å; L2058-V2062 WeakPolarHBondContact O-CG2 3.47Å; L2058-V2062 PolarHBondContact O-N 3.1Å |
Retrieved 2,062 of 2,062 residues in 1369.1 ms
(Link to these results)