| 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 | 47.4 | Very low | 52.4 | Low | 224 Ų | 224 | 118.1 Ų | 118.1 | 100% | 1.103 | 61% | 0.608 | S | S | * | * | 0 | -22.6 | 0 | -75.9 | -164.9 | 171.3 | 0 | 0 | 115.1 | R3 L4 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.46Å; M1-L4 PolarHBondContact O-N 2.87Å | |||
| 2 | L | 46.4 | Very low | 52.9 | Low | 156 Ų | 156 | 114.8 Ų | 114.8 | 82% | 0.817 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.5 | -26.4 | -177.9 | -75.6 | 159 | 0 | 0 | 0 | 116.2 | L4 | L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.21Å |
| 3 | R | 42.2 | Very low | 53.6 | Low | 235 Ų | 235 | 116.3 Ų | 116.3 | 89% | 0.887 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.1 | -23.5 | -179.1 | -73.9 | -169 | 161.8 | 154.7 | -1 | 114.5 | M1 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.46Å |
| 4 | L | 49.9 | Very low | 54.2 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.4 | -35 | -177.3 | -162.5 | 72.7 | 0 | 0 | 0 | 112 | M1 L2 G6 V7 L8 | M1-L4 PolarHBondContact O-N 2.87Å; L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.21Å; L4-G6 VanDerWaalsContact C-N 3.35Å; L4-G6 PolarHBondContact O-N 3.26Å; L4-V7 PolarHBondContact O-N 2.84Å; L4-L8 HydrophobicContact CG-CD1 4.49Å; L4-L8 PolarHBondContact O-N 2.88Å |
| 5 | I | 52.5 | Low | 54.6 | Low | 116 Ų | 116 | 105.9 Ų | 105.9 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 178.9 | -62.4 | 170.7 | 0 | 0 | 0 | 110.9 | V7 L8 S9 | I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.23Å; I5-L8 PolarHBondContact O-N 2.84Å; I5-S9 PolarHBondContact O-N 3.16Å; I5-S9 PolarHBondContact O-OG 3.47Å |
| 6 | G | 52.7 | Low | 54.9 | Low | 31 Ų | 31 | 109.1 Ų | 109.1 | 32% | 0.32 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.2 | -34.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L4 S9 I10 | L4-G6 VanDerWaalsContact C-N 3.35Å; L4-G6 PolarHBondContact O-N 3.26Å; G6-S9 PolarHBondContact O-OG 2.82Å; G6-I10 VanDerWaalsContact O-CD1 3.23Å; G6-I10 WeakPolarHBondContact O-CD1 3.46Å; G6-I10 WeakPolarHBondContact O-CG1 3.21Å; G6-I10 PolarHBondContact O-N 3.41Å |
| 7 | V | 56.1 | Low | 55.1 | Low | 75 Ų | 75 | 109.5 Ų | 109.5 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.7 | -39.7 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | L4 I5 S9 I10 L11 | L4-V7 PolarHBondContact O-N 2.84Å; I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.23Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 3.16Å; V7-I10 PolarHBondContact O-N 2.94Å; V7-L11 HydrophobicContact CG1-CD1 4.11Å; V7-L11 PolarHBondContact O-N 3.12Å |
| 8 | L | 53.2 | Low | 55.1 | Low | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.8 | -33 | 176.9 | -79.7 | 162.1 | 0 | 0 | 0 | 112.7 | L4 I5 P12 | L4-L8 HydrophobicContact CG-CD1 4.49Å; L4-L8 PolarHBondContact O-N 2.88Å; I5-L8 PolarHBondContact O-N 2.84Å; L8-P12 WeakPolarHBondContact O-CD 3.32Å |
| 9 | S | 60.5 | Low | 55 | Low | 63 Ų | 63 | 104.3 Ų | 104.3 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.9 | -31.5 | 176.4 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | I5 G6 V7 P12 F13 | I5-S9 PolarHBondContact O-N 3.16Å; I5-S9 PolarHBondContact O-OG 3.47Å; G6-S9 PolarHBondContact O-OG 2.82Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 3.16Å; S9-P12 WeakPolarHBondContact O-CD 3.27Å; S9-P12 WeakPolarHBondContact O-CG 3.28Å; S9-F13 WeakPolarHBondContact O-CD2 3.35Å |
| 10 | I | 60.5 | Low | 55.2 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 59% | 0.59 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.7 | -31.3 | -179.1 | -66.6 | 164.4 | 0 | 0 | 0 | 112.4 | G6 V7 F13 G14 | G6-I10 VanDerWaalsContact O-CD1 3.23Å; G6-I10 WeakPolarHBondContact O-CD1 3.46Å; G6-I10 WeakPolarHBondContact O-CG1 3.21Å; G6-I10 PolarHBondContact O-N 3.41Å; V7-I10 PolarHBondContact O-N 2.94Å; I10-F13 WeakPolarHBondContact O-CB 3.18Å; I10-F13 PolarHBondContact O-N 2.89Å; I10-F13 VanDerWaalsContact O-N 3.14Å; I10-G14 PolarHBondContact O-N 2.86Å |
| 11 | L | 55.3 | Low | 55 | Low | 45 Ų | 45 | 102 Ų | 102 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -55.8 | -49.2 | -178.3 | -118.6 | 112.9 | 0 | 0 | 0 | 115 | V7 F13 G14 V15 L48 V52 | V7-L11 HydrophobicContact CG1-CD1 4.11Å; V7-L11 PolarHBondContact O-N 3.12Å; L11-F13 VanDerWaalsContact C-N 3.28Å; L11-F13 PolarHBondContact O-N 3.14Å; L11-G14 PolarHBondContact O-N 3.33Å; L11-G14 VanDerWaalsContact O-N 3.17Å; L11-V15 PolarHBondContact O-N 3.48Å; L11-V15 VanDerWaalsContact O-N 3.11Å; L11-L48 HydrophobicContact CD2-CD1 3.86Å; L11-L48 HydrophobicContact CD2-CD2 3.43Å; L11-L48 VanDerWaalsContact CD2-CD2 3.43Å; L11-L48 HydrophobicContact CD2-CG 3.55Å; L11-V52 HydrophobicContact CD1-CG2 3.84Å; L11-V52 HydrophobicContact CD2-CG2 4Å; L11-V52 HydrophobicContact CG-CG2 4.41Å |
| 12 | P | 58 | Low | 55.1 | Low | 78 Ų | 78 | 93.7 Ų | 93.7 | 51% | 0.506 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -32.4 | 176.8 | 23.9 | -33.2 | 0 | 0 | 0 | 112.2 | L8 S9 V15 F16 | L8-P12 WeakPolarHBondContact O-CD 3.32Å; S9-P12 WeakPolarHBondContact O-CD 3.27Å; S9-P12 WeakPolarHBondContact O-CG 3.28Å; P12-V15 PolarHBondContact O-N 3.45Å; P12-F16 VanDerWaalsContact O-CB 3.24Å; P12-F16 WeakPolarHBondContact O-CB 3.28Å; P12-F16 PolarHBondContact O-N 2.79Å |
| 13 | F | 62 | Low | 55.3 | Low | 135 Ų | 135 | 90.6 Ų | 90.6 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.8 | -40.6 | 172.7 | -75.4 | -76.6 | 0 | 0 | 0 | 111.7 | S9 I10 L11 V15 F16 F17 | S9-F13 WeakPolarHBondContact O-CD2 3.35Å; I10-F13 WeakPolarHBondContact O-CB 3.18Å; I10-F13 PolarHBondContact O-N 2.89Å; I10-F13 VanDerWaalsContact O-N 3.14Å; L11-F13 VanDerWaalsContact C-N 3.28Å; L11-F13 PolarHBondContact O-N 3.14Å; F13-V15 PolarHBondContact O-N 2.88Å; F13-F16 PolarHBondContact O-N 2.97Å; F13-F17 WeakPolarHBondContact O-CB 3.14Å; F13-F17 VanDerWaalsContact O-CD2 3.3Å; F13-F17 WeakPolarHBondContact O-CD2 3.33Å; F13-F17 PolarHBondContact O-N 3.49Å |
| 14 | G | 62.3 | Low | 55.7 | Low | 33 Ų | 33 | 86 Ų | 86 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I10 L11 F17 L18 | I10-G14 PolarHBondContact O-N 2.86Å; L11-G14 PolarHBondContact O-N 3.33Å; L11-G14 VanDerWaalsContact O-N 3.17Å; G14-F17 PolarHBondContact O-N 3.3Å; G14-L18 WeakPolarHBondContact O-CB 3.34Å; G14-L18 PolarHBondContact O-N 3.13Å |
| 15 | V | 60.6 | Low | 55.8 | Low | 43 Ų | 43 | 85.5 Ų | 85.5 | 26% | 0.261 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | L11 P12 F13 L18 G19 W25 | L11-V15 PolarHBondContact O-N 3.48Å; L11-V15 VanDerWaalsContact O-N 3.11Å; P12-V15 PolarHBondContact O-N 3.45Å; F13-V15 PolarHBondContact O-N 2.88Å; V15-L18 PolarHBondContact O-N 2.9Å; V15-G19 PolarHBondContact O-N 3.27Å; V15-W25 HydrophobicContact CG1-CZ2 4.45Å |
| 16 | F | 58.6 | Low | 55.9 | Low | 157 Ų | 157 | 86.8 Ų | 86.8 | 69% | 0.689 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 175.4 | -171.6 | -95.8 | 0 | 0 | 0 | 111.9 | P12 F13 G19 S20 | P12-F16 VanDerWaalsContact O-CB 3.24Å; P12-F16 WeakPolarHBondContact O-CB 3.28Å; P12-F16 PolarHBondContact O-N 2.79Å; F13-F16 PolarHBondContact O-N 2.97Å; F16-G19 PolarHBondContact O-N 2.78Å; F16-S20 WeakPolarHBondContact O-CB 3.21Å; F16-S20 PolarHBondContact O-N 3.07Å |
| 17 | F | 58.2 | Low | 56.1 | Low | 117 Ų | 117 | 93 Ų | 93 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 174.3 | -91.5 | -107.5 | 0 | 0 | 0 | 110.4 | F13 G14 G19 S20 F21 | F13-F17 WeakPolarHBondContact O-CB 3.14Å; F13-F17 VanDerWaalsContact O-CD2 3.3Å; F13-F17 WeakPolarHBondContact O-CD2 3.33Å; F13-F17 PolarHBondContact O-N 3.49Å; G14-F17 PolarHBondContact O-N 3.3Å; F17-G19 VanDerWaalsContact C-N 3.33Å; F17-G19 PolarHBondContact O-N 3.4Å; F17-S20 WeakPolarHBondContact O-CB 3.36Å; F17-S20 PolarHBondContact O-N 3.26Å; F17-S20 PolarHBondContact O-OG 3.44Å; F17-F21 HydrophobicContact CB-CE2 3.98Å; F17-F21 AromaticContact CD1-CE2 3.6Å; F17-F21 HydrophobicContact CD1-CE2 3.6Å; F17-F21 AromaticContact CD1-CZ 3.89Å; F17-F21 HydrophobicContact CD1-CZ 3.89Å; F17-F21 HydrophobicContact CE1-CZ 4.42Å; F17-F21 HydrophobicContact CG-CE2 4.2Å; F17-F21 WeakPolarHBondContact O-CD2 3.23Å; F17-F21 WeakPolarHBondContact O-CE2 3.19Å; F17-F21 PolarHBondContact O-N 3.38Å |
| 18 | L | 56 | Low | 55.9 | Low | 105 Ų | 105 | 91.6 Ų | 91.6 | 55% | 0.55 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.2 | -43 | 174.7 | -93.5 | 147.6 | 0 | 0 | 0 | 113 | G14 V15 S20 F21 C22 | G14-L18 WeakPolarHBondContact O-CB 3.34Å; G14-L18 PolarHBondContact O-N 3.13Å; V15-L18 PolarHBondContact O-N 2.9Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.04Å; L18-F21 PolarHBondContact O-N 3.38Å; L18-C22 PolarHBondContact O-N 3.45Å |
| 19 | G | 53.5 | Low | 55.8 | Low | 15 Ų | 15 | 92.6 Ų | 92.6 | 16% | 0.155 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -68.2 | -23.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V15 F16 F17 | V15-G19 PolarHBondContact O-N 3.27Å; F16-G19 PolarHBondContact O-N 2.78Å; F17-G19 VanDerWaalsContact C-N 3.33Å; F17-G19 PolarHBondContact O-N 3.4Å |
| 20 | S | 58.3 | Low | 55.8 | Low | 51 Ų | 51 | 97.3 Ų | 97.3 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.1 | -31.3 | 176.6 | 78.5 | 0 | 0 | 0 | 0 | 113.2 | F16 F17 L18 | F16-S20 WeakPolarHBondContact O-CB 3.21Å; F16-S20 PolarHBondContact O-N 3.07Å; F17-S20 WeakPolarHBondContact O-CB 3.36Å; F17-S20 PolarHBondContact O-N 3.26Å; F17-S20 PolarHBondContact O-OG 3.44Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.04Å |
| 21 | F | 51.8 | Low | 55.5 | Low | 108 Ų | 108 | 98 Ų | 98 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -95.5 | -17.4 | -172.6 | -61.1 | -60.9 | 0 | 0 | 0 | 115.3 | F17 L18 W94 | F17-F21 HydrophobicContact CB-CE2 3.98Å; F17-F21 AromaticContact CD1-CE2 3.6Å; F17-F21 HydrophobicContact CD1-CE2 3.6Å; F17-F21 AromaticContact CD1-CZ 3.89Å; F17-F21 HydrophobicContact CD1-CZ 3.89Å; F17-F21 HydrophobicContact CE1-CZ 4.42Å; F17-F21 HydrophobicContact CG-CE2 4.2Å; F17-F21 WeakPolarHBondContact O-CD2 3.23Å; F17-F21 WeakPolarHBondContact O-CE2 3.19Å; F17-F21 PolarHBondContact O-N 3.38Å; L18-F21 PolarHBondContact O-N 3.38Å; F21-W94 AromaticContact CD1-CH2 3.93Å; F21-W94 HydrophobicContact CD1-CH2 3.93Å; F21-W94 AromaticContact CD1-CZ2 3.53Å; F21-W94 HydrophobicContact CD1-CZ2 3.53Å; F21-W94 AromaticContact CE1-CZ2 3.88Å; F21-W94 HydrophobicContact CE1-CZ2 3.88Å |
| 22 | C | 48.2 | Very low | 55.1 | Low | 50 Ų | 50 | 99.8 Ų | 99.8 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | trans | -114.6 | 108.3 | -179.3 | -154.7 | 0 | 0 | 0 | 0 | 111.2 | L18 E24 W25 R26 | L18-C22 PolarHBondContact O-N 3.45Å; C22-E24 PolarHBondContact O-N 3.37Å; C22-W25 HydrophobicContact CB-CB 4.08Å; C22-W25 VanDerWaalsContact O-CB 3.3Å; C22-W25 WeakPolarHBondContact O-CB 3.45Å; C22-W25 PolarHBondContact O-N 3.49Å; C22-R26 PolarHBondContact O-N 3.23Å | ||
| 23 | P | 51.1 | Low | 54.5 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -23.9 | 179.3 | 24.4 | -31.7 | 0 | 0 | 0 | 112.5 | W25 R26 R27 | P23-W25 VanDerWaalsContact C-N 3.35Å; P23-R26 WeakPolarHBondContact O-CB 3.35Å; P23-R26 PolarHBondContact O-N 3.01Å; P23-R27 PolarHBondContact O-N 3.49Å |
| 24 | E | 49.6 | Very low | 53.8 | Low | 139 Ų | 139 | 108.4 Ų | 108.4 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -34.9 | 171.8 | -70.1 | 179.1 | 145.2 | 0 | 0 | 112 | C22 R26 R27 A28 | C22-E24 PolarHBondContact O-N 3.37Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R27 WeakPolarHBondContact O-CB 3.4Å; E24-R27 PolarHBondContact O-N 2.89Å; E24-R27 VanDerWaalsContact O-N 3.16Å; E24-A28 WeakPolarHBondContact O-CB 3.39Å; E24-A28 PolarHBondContact O-N 3.34Å |
| 25 | W | 52.9 | Low | 52.9 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 171.2 | -164.5 | -89.8 | 0 | 0 | 0 | 111.2 | V15 C22 P23 R27 A28 W29 | V15-W25 HydrophobicContact CG1-CZ2 4.45Å; C22-W25 HydrophobicContact CB-CB 4.08Å; C22-W25 VanDerWaalsContact O-CB 3.3Å; C22-W25 WeakPolarHBondContact O-CB 3.45Å; C22-W25 PolarHBondContact O-N 3.49Å; P23-W25 VanDerWaalsContact C-N 3.35Å; W25-R27 PolarHBondContact O-N 2.81Å; W25-A28 PolarHBondContact O-N 3.33Å; W25-W29 WeakPolarHBondContact O-CB 3.32Å; W25-W29 PolarHBondContact O-N 3.36Å |
| 26 | R | 54.5 | Low | 51.6 | Low | 143 Ų | 143 | 113.7 Ų | 113.7 | 54% | 0.54 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.1 | -23.1 | 174.7 | -141.1 | -174.5 | -68.4 | -170.3 | -0.5 | 112.9 | C22 P23 E24 R30 | C22-R26 PolarHBondContact O-N 3.23Å; P23-R26 WeakPolarHBondContact O-CB 3.35Å; P23-R26 PolarHBondContact O-N 3.01Å; E24-R26 VanDerWaalsContact C-N 3.32Å; R26-R30 WeakPolarHBondContact O-CG 3.49Å; R26-R30 PolarHBondContact O-N 3.48Å; R26-R30 PolarHBondContact O-NE 3.32Å |
| 27 | R | 56.2 | Low | 50.8 | Low | 161 Ų | 161 | 110 Ų | 110 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -80.3 | -48.3 | 169.7 | -72.4 | -178.7 | -173 | 170.2 | 0.8 | 110.9 | P23 E24 W25 W29 R30 H31 | P23-R27 PolarHBondContact O-N 3.49Å; E24-R27 WeakPolarHBondContact O-CB 3.4Å; E24-R27 PolarHBondContact O-N 2.89Å; E24-R27 VanDerWaalsContact O-N 3.16Å; W25-R27 PolarHBondContact O-N 2.81Å; R27-W29 VanDerWaalsContact C-N 3.34Å; R27-W29 PolarHBondContact O-N 3.45Å; R27-R30 WeakPolarHBondContact O-CB 3.41Å; R27-R30 PolarHBondContact O-N 2.98Å; R27-R30 VanDerWaalsContact O-N 3.14Å; R27-H31 PolarHBondContact O-CD2 3.46Å; R27-H31 PolarHBondContact O-N 2.66Å |
| 28 | A | 53.4 | Low | 49.8 | Very low | 45 Ų | 45 | 108.3 Ų | 108.3 | 37% | 0.372 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E24 W25 R30 H31 L32 | E24-A28 WeakPolarHBondContact O-CB 3.39Å; E24-A28 PolarHBondContact O-N 3.34Å; W25-A28 PolarHBondContact O-N 3.33Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.46Å; A28-H31 CarbonylContact O-C 3.6Å; A28-H31 PolarHBondContact O-N 2.93Å; A28-L32 VanDerWaalsContact O-CB 3.3Å; A28-L32 WeakPolarHBondContact O-CB 3.24Å; A28-L32 WeakPolarHBondContact O-CD1 3.29Å; A28-L32 PolarHBondContact O-N 2.94Å |
| 29 | W | 51.3 | Low | 48.8 | Very low | 135 Ų | 135 | 111.2 Ų | 111.2 | 51% | 0.511 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 175.1 | -170 | -101.5 | 0 | 0 | 0 | 112.5 | W25 R27 R33 | W25-W29 WeakPolarHBondContact O-CB 3.32Å; W25-W29 PolarHBondContact O-N 3.36Å; R27-W29 VanDerWaalsContact C-N 3.34Å; R27-W29 PolarHBondContact O-N 3.45Å; W29-R33 VanDerWaalsContact O-CB 3.27Å; W29-R33 WeakPolarHBondContact O-CB 3.38Å; W29-R33 PolarHBondContact O-N 3.2Å |
| 30 | R | 60.4 | Low | 48.3 | Very low | 161 Ų | 161 | 115.7 Ų | 115.7 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -43.3 | 172.8 | -88.7 | -175.6 | -80.4 | 176.5 | -7.8 | 111.8 | R26 R27 A28 R33 F34 | R26-R30 WeakPolarHBondContact O-CG 3.49Å; R26-R30 PolarHBondContact O-N 3.48Å; R26-R30 PolarHBondContact O-NE 3.32Å; R27-R30 WeakPolarHBondContact O-CB 3.41Å; R27-R30 PolarHBondContact O-N 2.98Å; R27-R30 VanDerWaalsContact O-N 3.14Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.46Å; R30-R33 PolarHBondContact O-N 2.9Å; R30-F34 WeakPolarHBondContact O-CB 3.13Å; R30-F34 PolarHBondContact O-N 3.37Å |
| 31 | H | 53.1 | Low | 47.8 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 61% | 0.606 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.8 | -39.2 | 175.5 | -77.1 | -69.4 | 0 | 0 | 0 | 112.4 | R27 A28 F34 L35 | R27-H31 PolarHBondContact O-CD2 3.46Å; R27-H31 PolarHBondContact O-N 2.66Å; A28-H31 CarbonylContact O-C 3.6Å; A28-H31 PolarHBondContact O-N 2.93Å; H31-F34 PolarHBondContact O-N 3.28Å; H31-L35 PolarHBondContact O-N 2.82Å; H31-L35 VanDerWaalsContact O-N 3.12Å |
| 32 | L | 47.4 | Very low | 47.2 | Very low | 81 Ų | 81 | 115.1 Ų | 115.1 | 42% | 0.424 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.6 | -39.4 | 174.3 | -89.1 | 152.7 | 0 | 0 | 0 | 112.1 | A28 F34 F37 | A28-L32 VanDerWaalsContact O-CB 3.3Å; A28-L32 WeakPolarHBondContact O-CB 3.24Å; A28-L32 WeakPolarHBondContact O-CD1 3.29Å; A28-L32 PolarHBondContact O-N 2.94Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F37 HydrophobicContact CD2-CD1 4.07Å; L32-F37 HydrophobicContact CD2-CE1 4.39Å; L32-F37 HydrophobicContact CD2-CG 4.42Å |
| 33 | R | 45.7 | Very low | 46.8 | Very low | 204 Ų | 204 | 118.6 Ų | 118.6 | 77% | 0.77 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.6 | -28.7 | 176 | -153.9 | 178.2 | -164.1 | 173.1 | 4.3 | 112.6 | W29 R30 | W29-R33 VanDerWaalsContact O-CB 3.27Å; W29-R33 WeakPolarHBondContact O-CB 3.38Å; W29-R33 PolarHBondContact O-N 3.2Å; R30-R33 PolarHBondContact O-N 2.9Å |
| 34 | F | 47.4 | Very low | 46.6 | Very low | 191 Ų | 191 | 119.4 Ų | 119.4 | 84% | 0.838 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -82 | -22.7 | 179.6 | -147 | -91.5 | 0 | 0 | 0 | 113.3 | R30 H31 L32 G36 | R30-F34 WeakPolarHBondContact O-CB 3.13Å; R30-F34 PolarHBondContact O-N 3.37Å; H31-F34 PolarHBondContact O-N 3.28Å; L32-F34 VanDerWaalsContact C-N 3.33Å; F34-G36 PolarHBondContact O-N 3.16Å |
| 35 | L | 42.4 | Very low | 46.5 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 10.9 | 179.5 | -91.8 | 158 | 0 | 0 | 0 | 114.5 | H31 F37 | H31-L35 PolarHBondContact O-N 2.82Å; H31-L35 VanDerWaalsContact O-N 3.12Å; L35-F37 HydrophobicContact CB-CD2 3.64Å; L35-F37 HydrophobicContact CB-CE2 3.71Å; L35-F37 WeakPolarHBondContact O-CD2 3.36Å; L35-F37 PolarHBondContact O-N 3.19Å |
| 36 | G | 34.3 | Very low | 46.5 | Very low | 61 Ų | 61 | 115.4 Ų | 115.4 | 63% | 0.629 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.4 | 22.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F34 G38 | F34-G36 PolarHBondContact O-N 3.16Å; G36-G38 PolarHBondContact O-N 3.05Å |
| 37 | F | 40.6 | Very low | 46.4 | Very low | 79 Ų | 79 | 112.8 Ų | 112.8 | 35% | 0.346 | 58% | 0.576 | S | S | . | * | trans | -76.3 | 36 | -178.8 | -78.8 | -125.2 | 0 | 0 | 0 | 113.4 | L32 L35 Q39 F40 | L32-F37 HydrophobicContact CD2-CD1 4.07Å; L32-F37 HydrophobicContact CD2-CE1 4.39Å; L32-F37 HydrophobicContact CD2-CG 4.42Å; L35-F37 HydrophobicContact CB-CD2 3.64Å; L35-F37 HydrophobicContact CB-CE2 3.71Å; L35-F37 WeakPolarHBondContact O-CD2 3.36Å; L35-F37 PolarHBondContact O-N 3.19Å; F37-Q39 PolarHBondContact O-N 3.23Å; F37-Q39 VanDerWaalsContact O-N 3.11Å; F37-F40 HydrophobicContact CB-CB 4.36Å; F37-F40 HydrophobicContact CB-CD2 3.94Å; F37-F40 HydrophobicContact CB-CG 4.41Å; F37-F40 HydrophobicContact CD1-CB 3.69Å; F37-F40 AromaticContact CD1-CD1 3.62Å; F37-F40 HydrophobicContact CD1-CD1 3.62Å; F37-F40 AromaticContact CD1-CD2 2.88Å; F37-F40 HydrophobicContact CD1-CD2 2.88Å; F37-F40 AromaticContact CD1-CE1 3.93Å; F37-F40 HydrophobicContact CD1-CE1 3.93Å; F37-F40 AromaticContact CD1-CE2 3.24Å; F37-F40 HydrophobicContact CD1-CE2 3.24Å; F37-F40 AromaticContact CD1-CG 3.08Å; F37-F40 HydrophobicContact CD1-CG 3.08Å; F37-F40 AromaticContact CD1-CZ 3.75Å; F37-F40 HydrophobicContact CD1-CZ 3.75Å; F37-F40 HydrophobicContact CD2-CD2 4.15Å; F37-F40 HydrophobicContact CD2-CE2 4.07Å; F37-F40 HydrophobicContact CE1-CB 4.44Å; F37-F40 AromaticContact CE1-CD1 3.49Å; F37-F40 HydrophobicContact CE1-CD1 3.49Å; F37-F40 VanDerWaalsContact CE1-CD1 3.49Å; F37-F40 AromaticContact CE1-CD2 3.21Å; F37-F40 HydrophobicContact CE1-CD2 3.21Å; F37-F40 AromaticContact CE1-CE1 3.31Å; F37-F40 HydrophobicContact CE1-CE1 3.31Å; F37-F40 AromaticContact CE1-CE2 2.98Å; F37-F40 HydrophobicContact CE1-CE2 2.98Å; F37-F40 AromaticContact CE1-CG 3.43Å; F37-F40 HydrophobicContact CE1-CG 3.43Å; F37-F40 VanDerWaalsContact CE1-CG 3.43Å; F37-F40 AromaticContact CE1-CZ 3.04Å; F37-F40 HydrophobicContact CE1-CZ 3.04Å; F37-F40 HydrophobicContact CE2-CD2 4.37Å; F37-F40 AromaticContact CE2-CE2 3.86Å; F37-F40 HydrophobicContact CE2-CE2 3.86Å; F37-F40 HydrophobicContact CE2-CZ 4.34Å; F37-F40 HydrophobicContact CG-CB 4.41Å; F37-F40 AromaticContact CG-CD2 3.4Å; F37-F40 HydrophobicContact CG-CD2 3.4Å; F37-F40 AromaticContact CG-CE2 3.76Å; F37-F40 HydrophobicContact CG-CE2 3.76Å; F37-F40 AromaticContact CG-CG 3.97Å; F37-F40 HydrophobicContact CG-CG 3.97Å; F37-F40 AromaticContact CZ-CD2 3.94Å; F37-F40 HydrophobicContact CZ-CD2 3.94Å; F37-F40 HydrophobicContact CZ-CE1 4.07Å; F37-F40 AromaticContact CZ-CE2 3.31Å; F37-F40 HydrophobicContact CZ-CE2 3.31Å; F37-F40 AromaticContact CZ-CZ 3.38Å; F37-F40 HydrophobicContact CZ-CZ 3.38Å | ||
| 38 | G | 37.9 | Very low | 46.3 | Very low | 81 Ų | 81 | 107.3 Ų | 107.3 | 84% | 0.835 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 4.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G36 | G36-G38 PolarHBondContact O-N 3.05Š|
| 39 | Q | 34.9 | Very low | 46.6 | Very low | 167 Ų | 167 | 110 Ų | 110 | 78% | 0.78 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 8.6 | -175 | -72.4 | -178 | -21.4 | 0 | 0 | 114.3 | F37 S41 | F37-Q39 PolarHBondContact O-N 3.23Å; F37-Q39 VanDerWaalsContact O-N 3.11Å; Q39-S41 PolarHBondContact O-N 2.88Å |
| 40 | F | 42.4 | Very low | 47 | Very low | 108 Ų | 108 | 107.9 Ų | 107.9 | 47% | 0.474 | 56% | 0.564 | S | S | . | * | trans | -81.9 | 47.4 | -179.9 | -94.7 | -103.2 | 0 | 0 | 0 | 113.5 | F37 G42 | F37-F40 HydrophobicContact CB-CB 4.36Å; F37-F40 HydrophobicContact CB-CD2 3.94Å; F37-F40 HydrophobicContact CB-CG 4.41Å; F37-F40 HydrophobicContact CD1-CB 3.69Å; F37-F40 AromaticContact CD1-CD1 3.62Å; F37-F40 HydrophobicContact CD1-CD1 3.62Å; F37-F40 AromaticContact CD1-CD2 2.88Å; F37-F40 HydrophobicContact CD1-CD2 2.88Å; F37-F40 AromaticContact CD1-CE1 3.93Å; F37-F40 HydrophobicContact CD1-CE1 3.93Å; F37-F40 AromaticContact CD1-CE2 3.24Å; F37-F40 HydrophobicContact CD1-CE2 3.24Å; F37-F40 AromaticContact CD1-CG 3.08Å; F37-F40 HydrophobicContact CD1-CG 3.08Å; F37-F40 AromaticContact CD1-CZ 3.75Å; F37-F40 HydrophobicContact CD1-CZ 3.75Å; F37-F40 HydrophobicContact CD2-CD2 4.15Å; F37-F40 HydrophobicContact CD2-CE2 4.07Å; F37-F40 HydrophobicContact CE1-CB 4.44Å; F37-F40 AromaticContact CE1-CD1 3.49Å; F37-F40 HydrophobicContact CE1-CD1 3.49Å; F37-F40 VanDerWaalsContact CE1-CD1 3.49Å; F37-F40 AromaticContact CE1-CD2 3.21Å; F37-F40 HydrophobicContact CE1-CD2 3.21Å; F37-F40 AromaticContact CE1-CE1 3.31Å; F37-F40 HydrophobicContact CE1-CE1 3.31Å; F37-F40 AromaticContact CE1-CE2 2.98Å; F37-F40 HydrophobicContact CE1-CE2 2.98Å; F37-F40 AromaticContact CE1-CG 3.43Å; F37-F40 HydrophobicContact CE1-CG 3.43Å; F37-F40 VanDerWaalsContact CE1-CG 3.43Å; F37-F40 AromaticContact CE1-CZ 3.04Å; F37-F40 HydrophobicContact CE1-CZ 3.04Å; F37-F40 HydrophobicContact CE2-CD2 4.37Å; F37-F40 AromaticContact CE2-CE2 3.86Å; F37-F40 HydrophobicContact CE2-CE2 3.86Å; F37-F40 HydrophobicContact CE2-CZ 4.34Å; F37-F40 HydrophobicContact CG-CB 4.41Å; F37-F40 AromaticContact CG-CD2 3.4Å; F37-F40 HydrophobicContact CG-CD2 3.4Å; F37-F40 AromaticContact CG-CE2 3.76Å; F37-F40 HydrophobicContact CG-CE2 3.76Å; F37-F40 AromaticContact CG-CG 3.97Å; F37-F40 HydrophobicContact CG-CG 3.97Å; F37-F40 AromaticContact CZ-CD2 3.94Å; F37-F40 HydrophobicContact CZ-CD2 3.94Å; F37-F40 HydrophobicContact CZ-CE1 4.07Å; F37-F40 AromaticContact CZ-CE2 3.31Å; F37-F40 HydrophobicContact CZ-CE2 3.31Å; F37-F40 AromaticContact CZ-CZ 3.38Å; F37-F40 HydrophobicContact CZ-CZ 3.38Å; F40-G42 PolarHBondContact O-N 3.48Å | ||
| 41 | S | 49 | Very low | 46.9 | Very low | 110 Ų | 110 | 106.5 Ų | 106.5 | 77% | 0.769 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 19.1 | -169.8 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | Q39 | Q39-S41 PolarHBondContact O-N 2.88Š|
| 42 | G | 38.5 | Very low | 47.1 | Very low | 37 Ų | 37 | 102.6 Ų | 102.6 | 38% | 0.381 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | -57.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F40 F44 L45 V46 | F40-G42 PolarHBondContact O-N 3.48Å; G42-F44 PolarHBondContact O-N 3.48Å; G42-L45 WeakPolarHBondContact O-CB 3.24Å; G42-L45 PolarHBondContact O-N 3.11Å; G42-V46 WeakPolarHBondContact O-CG2 3.13Å; G42-V46 PolarHBondContact O-N 3.31Å |
| 43 | Q | 39.9 | Very low | 47.3 | Very low | 124 Ų | 124 | 107.4 Ų | 107.4 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.6 | -41.8 | -175.7 | -155.2 | 79.5 | 20.5 | 0 | 0 | 113.1 | L45 V46 D47 | Q43-L45 VanDerWaalsContact C-N 3.3Å; Q43-L45 PolarHBondContact O-N 3.17Å; Q43-V46 CarbonylContact O-C 3.59Å; Q43-V46 PolarHBondContact O-N 3.39Å; Q43-V46 VanDerWaalsContact O-N 3.16Å; Q43-D47 PolarHBondContact O-N 3.14Å |
| 44 | F | 46.7 | Very low | 47.6 | Very low | 109 Ų | 109 | 102.9 Ų | 102.9 | 48% | 0.478 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -37.8 | 176.8 | 179.4 | -98.8 | 0 | 0 | 0 | 111.8 | G42 V46 D47 L48 | G42-F44 PolarHBondContact O-N 3.48Å; F44-V46 VanDerWaalsContact C-N 3.35Å; F44-D47 PolarHBondContact O-N 2.95Å; F44-L48 WeakPolarHBondContact O-CB 3.5Å; F44-L48 PolarHBondContact O-N 3.33Å |
| 45 | L | 48.6 | Very low | 48 | Very low | 100 Ų | 100 | 99 Ų | 99 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.8 | -165.9 | 75.6 | 0 | 0 | 0 | 110.5 | G42 Q43 L48 L49 | G42-L45 WeakPolarHBondContact O-CB 3.24Å; G42-L45 PolarHBondContact O-N 3.11Å; Q43-L45 VanDerWaalsContact C-N 3.3Å; Q43-L45 PolarHBondContact O-N 3.17Å; L45-L48 PolarHBondContact O-N 2.95Å; L45-L49 HydrophobicContact CG-CD1 4.19Å; L45-L49 VanDerWaalsContact O-CB 3.24Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.84Å |
| 46 | V | 52.7 | Low | 48.6 | Very low | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.418 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 176 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | G42 Q43 F44 L49 L50 | G42-V46 WeakPolarHBondContact O-CG2 3.13Å; G42-V46 PolarHBondContact O-N 3.31Å; Q43-V46 CarbonylContact O-C 3.59Å; Q43-V46 PolarHBondContact O-N 3.39Å; Q43-V46 VanDerWaalsContact O-N 3.16Å; F44-V46 VanDerWaalsContact C-N 3.35Å; V46-L49 PolarHBondContact O-N 2.92Å; V46-L50 HydrophobicContact CG1-CD1 3.9Å; V46-L50 VanDerWaalsContact O-CB 3.29Å; V46-L50 WeakPolarHBondContact O-CB 3.3Å; V46-L50 PolarHBondContact O-N 3.03Å |
| 47 | D | 52.6 | Low | 49.3 | Very low | 89 Ų | 89 | 106.1 Ų | 106.1 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 177.3 | -71.7 | -29.1 | 0 | 0 | 0 | 111.6 | Q43 F44 F51 | Q43-D47 PolarHBondContact O-N 3.14Å; F44-D47 PolarHBondContact O-N 2.95Å; D47-F51 VanDerWaalsContact O-CB 3.28Å; D47-F51 WeakPolarHBondContact O-CB 3.45Å; D47-F51 PolarHBondContact O-N 2.91Å |
| 48 | L | 52.9 | Low | 49.6 | Very low | 46 Ų | 46 | 107.2 Ų | 107.2 | 24% | 0.241 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -65.9 | -43.9 | 173.3 | -167.2 | 79.2 | 0 | 0 | 0 | 111 | L11 F44 L45 F51 V52 | L11-L48 HydrophobicContact CD2-CD1 3.86Å; L11-L48 HydrophobicContact CD2-CD2 3.43Å; L11-L48 VanDerWaalsContact CD2-CD2 3.43Å; L11-L48 HydrophobicContact CD2-CG 3.55Å; F44-L48 WeakPolarHBondContact O-CB 3.5Å; F44-L48 PolarHBondContact O-N 3.33Å; L45-L48 PolarHBondContact O-N 2.95Å; L48-F51 PolarHBondContact O-N 3.42Å; L48-V52 VanDerWaalsContact O-CG2 3.25Å; L48-V52 WeakPolarHBondContact O-CG2 2.85Å; L48-V52 PolarHBondContact O-N 3.44Å |
| 49 | L | 59.5 | Low | 50 | Low | 101 Ų | 101 | 108.7 Ų | 108.7 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -41.7 | 175.8 | -76.4 | 169.6 | 0 | 0 | 0 | 111.4 | L45 V46 V52 R53 | L45-L49 HydrophobicContact CG-CD1 4.19Å; L45-L49 VanDerWaalsContact O-CB 3.24Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.84Å; V46-L49 PolarHBondContact O-N 2.92Å; L49-V52 PolarHBondContact O-N 2.99Å; L49-R53 WeakPolarHBondContact O-CB 3.49Å; L49-R53 PolarHBondContact O-N 3.41Å |
| 50 | L | 59.6 | Low | 50.9 | Low | 91 Ų | 91 | 108.8 Ų | 108.8 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.8 | -41.4 | 174 | -92 | 159.6 | 0 | 0 | 0 | 111.4 | V46 R53 L54 | V46-L50 HydrophobicContact CG1-CD1 3.9Å; V46-L50 VanDerWaalsContact O-CB 3.29Å; V46-L50 WeakPolarHBondContact O-CB 3.3Å; V46-L50 PolarHBondContact O-N 3.03Å; L50-R53 PolarHBondContact O-N 3.38Å; L50-L54 WeakPolarHBondContact O-CB 3.24Å; L50-L54 PolarHBondContact O-N 3.38Å |
| 51 | F | 59.5 | Low | 51 | Low | 132 Ų | 132 | 108.4 Ų | 108.4 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.1 | -43.4 | 176.4 | -174.3 | -103.5 | 0 | 0 | 0 | 111.9 | D47 L48 L54 I55 | D47-F51 VanDerWaalsContact O-CB 3.28Å; D47-F51 WeakPolarHBondContact O-CB 3.45Å; D47-F51 PolarHBondContact O-N 2.91Å; L48-F51 PolarHBondContact O-N 3.42Å; F51-L54 WeakPolarHBondContact O-CB 3.39Å; F51-L54 PolarHBondContact O-N 3.35Å; F51-I55 HydrophobicContact CD1-CD1 3.69Å; F51-I55 HydrophobicContact CE1-CD1 3.31Å; F51-I55 HydrophobicContact CE1-CG1 4.33Å; F51-I55 HydrophobicContact CZ-CD1 3.83Å; F51-I55 WeakPolarHBondContact O-CG1 3.33Å; F51-I55 PolarHBondContact O-N 3.25Å |
| 52 | V | 55.7 | Low | 51.2 | Low | 48 Ų | 48 | 106.3 Ų | 106.3 | 29% | 0.291 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.4 | -40.5 | 173.3 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L11 L48 L49 L54 I55 W56 | L11-V52 HydrophobicContact CD1-CG2 3.84Å; L11-V52 HydrophobicContact CD2-CG2 4Å; L11-V52 HydrophobicContact CG-CG2 4.41Å; L48-V52 VanDerWaalsContact O-CG2 3.25Å; L48-V52 WeakPolarHBondContact O-CG2 2.85Å; L48-V52 PolarHBondContact O-N 3.44Å; L49-V52 PolarHBondContact O-N 2.99Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-I55 PolarHBondContact O-N 2.65Å; V52-W56 WeakPolarHBondContact O-CB 3.25Å; V52-W56 PolarHBondContact O-N 2.89Å |
| 53 | R | 51.6 | Low | 51.8 | Low | 183 Ų | 183 | 114 Ų | 114 | 69% | 0.691 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -41.6 | 174.4 | -128.9 | -179.6 | -178.4 | 161.2 | -0.2 | 111.1 | L49 L50 W56 L57 | L49-R53 WeakPolarHBondContact O-CB 3.49Å; L49-R53 PolarHBondContact O-N 3.41Å; L50-R53 PolarHBondContact O-N 3.38Å; R53-W56 CarbonylContact O-C 3.59Å; R53-W56 PolarHBondContact O-N 3.05Å; R53-L57 HydrophobicContact CG-CD1 4.34Å; R53-L57 VanDerWaalsContact O-CB 3.26Å; R53-L57 WeakPolarHBondContact O-CB 3.17Å; R53-L57 PolarHBondContact O-N 3.3Å |
| 54 | L | 52.7 | Low | 52.5 | Low | 109 Ų | 109 | 114.2 Ų | 114.2 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.2 | -41.9 | 175.8 | -102.1 | 146.4 | 0 | 0 | 0 | 112.2 | L50 F51 V52 W56 L57 V58 | L50-L54 WeakPolarHBondContact O-CB 3.24Å; L50-L54 PolarHBondContact O-N 3.38Å; F51-L54 WeakPolarHBondContact O-CB 3.39Å; F51-L54 PolarHBondContact O-N 3.35Å; V52-L54 VanDerWaalsContact C-N 3.34Å; L54-W56 VanDerWaalsContact C-N 3.28Å; L54-W56 PolarHBondContact O-N 3.46Å; L54-L57 PolarHBondContact O-N 2.95Å; L54-V58 WeakPolarHBondContact O-CG2 3.3Å; L54-V58 PolarHBondContact O-N 3.45Å |
| 55 | I | 56.2 | Low | 52.9 | Low | 108 Ų | 108 | 114.2 Ų | 114.2 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64 | -36.5 | 173.7 | -69.3 | 169.1 | 0 | 0 | 0 | 110.9 | F51 V52 | F51-I55 HydrophobicContact CD1-CD1 3.69Å; F51-I55 HydrophobicContact CE1-CD1 3.31Å; F51-I55 HydrophobicContact CE1-CG1 4.33Å; F51-I55 HydrophobicContact CZ-CD1 3.83Å; F51-I55 WeakPolarHBondContact O-CG1 3.33Å; F51-I55 PolarHBondContact O-N 3.25Å; V52-I55 PolarHBondContact O-N 2.65Å |
| 56 | W | 54.4 | Low | 53.1 | Low | 213 Ų | 213 | 118.4 Ų | 118.4 | 81% | 0.807 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -77 | -27.8 | 177.8 | -162.1 | -86.9 | 0 | 0 | 0 | 113.3 | V52 R53 L54 V58 | V52-W56 WeakPolarHBondContact O-CB 3.25Å; V52-W56 PolarHBondContact O-N 2.89Å; R53-W56 CarbonylContact O-C 3.59Å; R53-W56 PolarHBondContact O-N 3.05Å; L54-W56 VanDerWaalsContact C-N 3.28Å; L54-W56 PolarHBondContact O-N 3.46Å; W56-V58 VanDerWaalsContact C-N 3.3Å; W56-V58 PolarHBondContact O-N 3.48Å |
| 57 | L | 48.4 | Very low | 53.4 | Low | 125 Ų | 125 | 118.7 Ų | 118.7 | 65% | 0.654 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 8.7 | 178.4 | -110.9 | 126.2 | 0 | 0 | 0 | 114.2 | R53 L54 P59 | R53-L57 HydrophobicContact CG-CD1 4.34Å; R53-L57 VanDerWaalsContact O-CB 3.26Å; R53-L57 WeakPolarHBondContact O-CB 3.17Å; R53-L57 PolarHBondContact O-N 3.3Å; L54-L57 PolarHBondContact O-N 2.95Å; L57-P59 WeakPolarHBondContact O-CD 3.46Å |
| 58 | V | 47.9 | Very low | 53.4 | Low | 101 Ų | 101 | 119.5 Ų | 119.5 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | trans | -100.7 | 80.2 | 167.3 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | L54 W56 E60 | L54-V58 WeakPolarHBondContact O-CG2 3.3Å; L54-V58 PolarHBondContact O-N 3.45Å; W56-V58 VanDerWaalsContact C-N 3.3Å; W56-V58 PolarHBondContact O-N 3.48Å; V58-E60 PolarHBondContact O-N 3.35Å | ||
| 59 | P | 46.6 | Very low | 53.6 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -91.4 | 72.2 | 168.1 | 38.8 | -33 | 0 | 0 | 0 | 108.7 | L57 | L57-P59 WeakPolarHBondContact O-CD 3.46Š| ||
| 60 | E | 53.3 | Low | 53.5 | Low | 169 Ų | 169 | 122.3 Ų | 122.3 | 79% | 0.79 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -120.6 | -7.2 | 172.6 | -75.9 | -161.6 | 156.8 | 0 | 0 | 114.8 | V58 | V58-E60 PolarHBondContact O-N 3.35Š|
| 61 | D | 45.7 | Very low | 53.4 | Low | 100 Ų | 100 | 122.3 Ų | 122.3 | 54% | 0.535 | 61% | 0.606 | S | S | . | * | trans | -156.6 | 102.6 | 167.5 | -90.8 | -55.6 | 0 | 0 | 0 | 112.4 | R63 M64 | D61-R63 PolarHBondContact O-N 3.37Å; D61-M64 HydrophobicContact CB-CB 4.3Å; D61-M64 PolarHBondContact O-N 2.85Å | ||
| 62 | G | 51.7 | Low | 53.2 | Low | 66 Ų | 66 | 120.9 Ų | 120.9 | 68% | 0.68 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -56.3 | -17.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R66 | G62-R66 WeakPolarHBondContact O-CB 3.44Å; G62-R66 PolarHBondContact O-N 3.4Å |
| 63 | R | 52.4 | Low | 53.2 | Low | 199 Ų | 199 | 123.6 Ų | 123.6 | 75% | 0.751 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.7 | -38.6 | 170.7 | -82.6 | -175.2 | -96.5 | -157.5 | -7.6 | 112.9 | D61 R66 T67 | D61-R63 PolarHBondContact O-N 3.37Å; R63-R66 PolarHBondContact O-N 2.87Å; R63-T67 WeakPolarHBondContact O-CB 3.3Å; R63-T67 PolarHBondContact O-N 3.29Å; R63-T67 PolarHBondContact O-OG1 2.86Å |
| 64 | M | 54.9 | Low | 53 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.3 | -41.6 | -175.7 | -131.7 | 180 | 172.6 | 0 | 0 | 111.1 | D61 T67 L68 | D61-M64 HydrophobicContact CB-CB 4.3Å; D61-M64 PolarHBondContact O-N 2.85Å; M64-T67 PolarHBondContact O-N 3.34Å; M64-L68 WeakPolarHBondContact O-CB 3.24Å; M64-L68 PolarHBondContact O-N 3.3Å |
| 65 | L | 53.7 | Low | 52.9 | Low | 110 Ų | 110 | 115 Ų | 115 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.5 | -43.7 | 173.9 | -166.1 | 80.7 | 0 | 0 | 0 | 111.6 | T67 L68 L69 | L65-T67 VanDerWaalsContact C-N 3.32Å; L65-T67 PolarHBondContact O-N 3Å; L65-L68 PolarHBondContact O-N 3.22Å; L65-L69 HydrophobicContact CD2-CD1 4.45Å; L65-L69 HydrophobicContact CG-CD1 4.19Å; L65-L69 WeakPolarHBondContact O-CB 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.33Å; L65-L69 PolarHBondContact O-N 3.05Å |
| 66 | R | 53.3 | Low | 52.8 | Low | 187 Ų | 187 | 115 Ų | 115 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 177 | -155.3 | 179.3 | -157 | 169.9 | 5.2 | 111.8 | G62 R63 L69 L70 | G62-R66 WeakPolarHBondContact O-CB 3.44Å; G62-R66 PolarHBondContact O-N 3.4Å; R63-R66 PolarHBondContact O-N 2.87Å; R66-L69 PolarHBondContact O-N 3.19Å; R66-L70 HydrophobicContact CG-CD1 4.44Å; R66-L70 VanDerWaalsContact O-CB 3.29Å; R66-L70 WeakPolarHBondContact O-CB 3.5Å; R66-L70 PolarHBondContact O-N 3.41Å |
| 67 | T | 59 | Low | 52.6 | Low | 76 Ų | 76 | 108.4 Ų | 108.4 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.9 | -43.4 | 176.9 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | R63 M64 L65 L70 I71 | R63-T67 WeakPolarHBondContact O-CB 3.3Å; R63-T67 PolarHBondContact O-N 3.29Å; R63-T67 PolarHBondContact O-OG1 2.86Å; M64-T67 PolarHBondContact O-N 3.34Å; L65-T67 VanDerWaalsContact C-N 3.32Å; L65-T67 PolarHBondContact O-N 3Å; T67-L70 PolarHBondContact O-N 2.95Å; T67-I71 HydrophobicContact CG2-CD1 3.98Å; T67-I71 WeakPolarHBondContact O-CB 3.11Å; T67-I71 VanDerWaalsContact O-CG1 3.24Å; T67-I71 WeakPolarHBondContact O-CG1 3.16Å; T67-I71 PolarHBondContact O-N 2.82Å |
| 68 | L | 52.7 | Low | 52.4 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 55% | 0.55 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.5 | -44.8 | 173.7 | -111.4 | 144 | 0 | 0 | 0 | 111.6 | M64 L65 I71 L72 | M64-L68 WeakPolarHBondContact O-CB 3.24Å; M64-L68 PolarHBondContact O-N 3.3Å; L65-L68 PolarHBondContact O-N 3.22Å; L68-I71 PolarHBondContact O-N 2.88Å; L68-L72 HydrophobicContact CD2-CD1 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.42Å; L68-L72 PolarHBondContact O-N 2.76Å |
| 69 | L | 56.5 | Low | 52.2 | Low | 105 Ų | 105 | 107.9 Ų | 107.9 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.7 | -37.9 | 175.7 | -74.8 | 168.1 | 0 | 0 | 0 | 112.7 | L65 R66 L72 N73 | L65-L69 HydrophobicContact CD2-CD1 4.45Å; L65-L69 HydrophobicContact CG-CD1 4.19Å; L65-L69 WeakPolarHBondContact O-CB 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.33Å; L65-L69 PolarHBondContact O-N 3.05Å; R66-L69 PolarHBondContact O-N 3.19Å; L69-L72 PolarHBondContact O-N 3.41Å; L69-N73 WeakPolarHBondContact O-CB 3.4Å; L69-N73 PolarHBondContact O-N 3.16Å |
| 70 | L | 57 | Low | 52.1 | Low | 101 Ų | 101 | 107.7 Ų | 107.7 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.9 | -44.8 | 174.6 | -107.7 | 145.4 | 0 | 0 | 0 | 111.6 | R66 T67 L72 N73 V74 | R66-L70 HydrophobicContact CG-CD1 4.44Å; R66-L70 VanDerWaalsContact O-CB 3.29Å; R66-L70 WeakPolarHBondContact O-CB 3.5Å; R66-L70 PolarHBondContact O-N 3.41Å; T67-L70 PolarHBondContact O-N 2.95Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.48Å; L70-N73 PolarHBondContact O-N 3.41Å; L70-V74 WeakPolarHBondContact O-CB 3.14Å; L70-V74 WeakPolarHBondContact O-CG2 3.24Å; L70-V74 PolarHBondContact O-N 3.24Å |
| 71 | I | 59 | Low | 51.5 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -41.8 | 177.5 | -68.3 | 166.4 | 0 | 0 | 0 | 110.3 | T67 L68 A75 | T67-I71 HydrophobicContact CG2-CD1 3.98Å; T67-I71 WeakPolarHBondContact O-CB 3.11Å; T67-I71 VanDerWaalsContact O-CG1 3.24Å; T67-I71 WeakPolarHBondContact O-CG1 3.16Å; T67-I71 PolarHBondContact O-N 2.82Å; L68-I71 PolarHBondContact O-N 2.88Å; I71-A75 VanDerWaalsContact O-CB 3.28Å; I71-A75 WeakPolarHBondContact O-CB 3.34Å; I71-A75 PolarHBondContact O-N 3.31Å |
| 72 | L | 54.9 | Low | 51.5 | Low | 101 Ų | 101 | 105.1 Ų | 105.1 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -45.6 | 175.2 | -80.5 | 163 | 0 | 0 | 0 | 111.7 | L68 L69 L70 V74 A75 T76 | L68-L72 HydrophobicContact CD2-CD1 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.42Å; L68-L72 PolarHBondContact O-N 2.76Å; L69-L72 PolarHBondContact O-N 3.41Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.48Å; L72-V74 PolarHBondContact O-N 2.77Å; L72-A75 CarbonylContact O-C 3.53Å; L72-A75 WeakPolarHBondContact O-CB 3.29Å; L72-A75 PolarHBondContact O-N 2.9Å; L72-A75 VanDerWaalsContact O-N 3.14Å; L72-T76 PolarHBondContact O-N 2.93Å; L72-T76 PolarHBondContact O-OG1 3.35Å |
| 73 | N | 54.6 | Low | 51.4 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.8 | -40.8 | 179.8 | -164.4 | 18.8 | 0 | 0 | 0 | 111.8 | L69 L70 A75 T76 S77 | L69-N73 WeakPolarHBondContact O-CB 3.4Å; L69-N73 PolarHBondContact O-N 3.16Å; L70-N73 PolarHBondContact O-N 3.41Å; N73-A75 VanDerWaalsContact C-N 3.3Å; N73-A75 PolarHBondContact O-N 2.8Å; N73-T76 WeakPolarHBondContact CA-OG1 3.26Å; N73-T76 PolarHBondContact O-N 3.33Å; N73-T76 PolarHBondContact O-OG1 2.88Å; N73-T76 VanDerWaalsContact O-OG1 3.12Å; N73-S77 VanDerWaalsContact O-CB 3.28Å; N73-S77 WeakPolarHBondContact O-CB 3.16Å; N73-S77 PolarHBondContact O-N 2.91Å; N73-S77 PolarHBondContact O-OG 3.3Å |
| 74 | V | 49 | Very low | 51.2 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 38% | 0.382 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.9 | -32.4 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L70 L72 N78 | L70-V74 WeakPolarHBondContact O-CB 3.14Å; L70-V74 WeakPolarHBondContact O-CG2 3.24Å; L70-V74 PolarHBondContact O-N 3.24Å; L72-V74 PolarHBondContact O-N 2.77Å; V74-N78 PolarHBondContact O-ND2 2.79Å |
| 75 | A | 49.8 | Very low | 51.2 | Low | 47 Ų | 47 | 103.6 Ų | 103.6 | 39% | 0.388 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.1 | -33.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I71 L72 N73 W93 | I71-A75 VanDerWaalsContact O-CB 3.28Å; I71-A75 WeakPolarHBondContact O-CB 3.34Å; I71-A75 PolarHBondContact O-N 3.31Å; L72-A75 CarbonylContact O-C 3.53Å; L72-A75 WeakPolarHBondContact O-CB 3.29Å; L72-A75 PolarHBondContact O-N 2.9Å; L72-A75 VanDerWaalsContact O-N 3.14Å; N73-A75 VanDerWaalsContact C-N 3.3Å; N73-A75 PolarHBondContact O-N 2.8Å; A75-W93 HydrophobicContact CB-CH2 4.48Å |
| 76 | T | 53.4 | Low | 50.9 | Low | 108 Ų | 108 | 104 Ų | 104 | 66% | 0.663 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -84.8 | -25 | 177.6 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | L72 N73 | L72-T76 PolarHBondContact O-N 2.93Å; L72-T76 PolarHBondContact O-OG1 3.35Å; N73-T76 WeakPolarHBondContact CA-OG1 3.26Å; N73-T76 PolarHBondContact O-N 3.33Å; N73-T76 PolarHBondContact O-OG1 2.88Å; N73-T76 VanDerWaalsContact O-OG1 3.12Å |
| 77 | S | 49.9 | Very low | 51.1 | Low | 75 Ų | 75 | 104.4 Ų | 104.4 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -86.6 | 1.4 | -177.4 | 76.1 | 0 | 0 | 0 | 0 | 114.9 | N73 | N73-S77 VanDerWaalsContact O-CB 3.28Å; N73-S77 WeakPolarHBondContact O-CB 3.16Å; N73-S77 PolarHBondContact O-N 2.91Å; N73-S77 PolarHBondContact O-OG 3.3Å |
| 78 | N | 44.4 | Very low | 51 | Low | 94 Ų | 94 | 108.3 Ų | 108.3 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | trans | -112.2 | 42.9 | -174.5 | -80.5 | -53.2 | 0 | 0 | 0 | 113.9 | V74 | V74-N78 PolarHBondContact O-ND2 2.79Š| ||
| 79 | D | 45.4 | Very low | 51 | Low | 122 Ų | 122 | 109 Ų | 109 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | trans | -99.6 | 136.8 | 156.8 | -112.6 | -31 | 0 | 0 | 0 | 107.9 | K86 | D79-K86 IonicContact OD1-NZ 3.86Š| ||
| 80 | P | 43.4 | Very low | 50.9 | Low | 109 Ų | 109 | 112.3 Ų | 112.3 | 71% | 0.708 | 58% | 0.583 | S | S | * | * | cis | -141.6 | 85.2 | 12.1 | 37.3 | -13.8 | 0 | 0 | 0 | 112.9 | S82 | P80-S82 PolarHBondContact O-N 3.44Š| ||
| 81 | L | 41.3 | Very low | 51.1 | Low | 144 Ų | 144 | 115.9 Ų | 115.9 | 75% | 0.754 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -88.5 | 91.2 | 174.4 | -78.2 | 165.6 | 0 | 0 | 0 | 111.2 | ||
| 82 | S | 45.1 | Very low | 51 | Low | 71 Ų | 71 | 120.7 Ų | 120.7 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | trans | 51.5 | 121.4 | 158.8 | 172.2 | 0 | 0 | 0 | 0 | 116.9 | P80 M84 N85 K86 | P80-S82 PolarHBondContact O-N 3.44Å; S82-M84 PolarHBondContact O-N 3.33Å; S82-N85 PolarHBondContact O-N 3.45Å; S82-K86 PolarHBondContact O-N 3.14Å | ||
| 83 | S | 50.4 | Low | 50.9 | Low | 107 Ų | 107 | 119.4 Ų | 119.4 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -49.4 | -25.1 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 84 | M | 47.1 | Very low | 50.9 | Low | 165 Ų | 165 | 120 Ų | 120 | 81% | 0.813 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.6 | -28.3 | 178.5 | -157.7 | 168 | 176.5 | 0 | 0 | 113.3 | S82 | S82-M84 PolarHBondContact O-N 3.33Å |
| 85 | N | 56.3 | Low | 51.4 | Low | 87 Ų | 87 | 126.9 Ų | 126.9 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -84.7 | -20.5 | 175.5 | -91.1 | -24.7 | 0 | 0 | 0 | 113.7 | S82 R87 K88 W89 | S82-N85 PolarHBondContact O-N 3.45Å; N85-R87 PolarHBondContact O-N 3.43Å; N85-R87 VanDerWaalsContact O-N 3.16Å; N85-K88 PolarHBondContact O-N 3.35Å; N85-K88 VanDerWaalsContact O-N 3.16Å; N85-W89 VanDerWaalsContact O-CB 3.27Å; N85-W89 WeakPolarHBondContact O-CB 3.28Å; N85-W89 PolarHBondContact O-N 3.46Å |
| 86 | K | 46.4 | Very low | 51.3 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -54.4 | -36.7 | 176.9 | -73.9 | -172.3 | 175.3 | -174.3 | 0 | 112.6 | D79 S82 R90 | D79-K86 IonicContact OD1-NZ 3.86Å; S82-K86 PolarHBondContact O-N 3.14Å; K86-R90 WeakPolarHBondContact O-CB 3.33Å; K86-R90 PolarHBondContact O-N 2.9Å |
| 87 | R | 57.2 | Low | 51.2 | Low | 197 Ų | 197 | 127.8 Ų | 127.8 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.3 | -42.2 | -179.9 | -138.6 | 178.7 | -160.8 | -178 | 6.4 | 112.5 | N85 R91 | N85-R87 PolarHBondContact O-N 3.43Å; N85-R87 VanDerWaalsContact O-N 3.16Å; R87-R91 PolarHBondContact O-N 2.75Å; R87-R91 VanDerWaalsContact O-N 3.13Å |
| 88 | K | 57 | Low | 51 | Low | 157 Ų | 157 | 132 Ų | 132 | 68% | 0.683 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -44.6 | 174.8 | -84 | -177.7 | 178 | 175.9 | 0 | 111.1 | N85 R91 R92 | N85-K88 PolarHBondContact O-N 3.35Å; N85-K88 VanDerWaalsContact O-N 3.16Å; K88-R91 PolarHBondContact O-N 3.36Å; K88-R92 PolarHBondContact O-N 3.16Å |
| 89 | W | 52.2 | Low | 51.2 | Low | 120 Ų | 120 | 130.9 Ų | 130.9 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.2 | -49 | 177 | -174.6 | 94.1 | 0 | 0 | 0 | 111.1 | N85 R91 R92 W93 | N85-W89 VanDerWaalsContact O-CB 3.27Å; N85-W89 WeakPolarHBondContact O-CB 3.28Å; N85-W89 PolarHBondContact O-N 3.46Å; W89-R91 VanDerWaalsContact C-N 3.3Å; W89-R91 PolarHBondContact O-N 2.85Å; W89-R92 PolarHBondContact O-N 3.06Å; W89-W93 AromaticContact CD1-CD1 3.69Å; W89-W93 AromaticContact CD1-NE1 3.7Å; W89-W93 AromaticContact CD2-CD1 3.25Å; W89-W93 HydrophobicContact CD2-CG 4.05Å; W89-W93 AromaticContact CD2-NE1 3.62Å; W89-W93 AromaticContact CE2-CD1 3.09Å; W89-W93 AromaticContact CE2-CE2 3.66Å; W89-W93 AromaticContact CE2-CG 3.97Å; W89-W93 AromaticContact CE2-NE1 2.89Å; W89-W93 AromaticContact CE3-CD1 3.79Å; W89-W93 HydrophobicContact CE3-CG 4.15Å; W89-W93 AromaticContact CG-CD1 3.67Å; W89-W93 AromaticContact CH2-CD1 3.97Å; W89-W93 HydrophobicContact CH2-CD2 4.01Å; W89-W93 AromaticContact CH2-CE2 3.87Å; W89-W93 HydrophobicContact CH2-CG 4.05Å; W89-W93 HydrophobicContact CH2-CZ2 4.39Å; W89-W93 AromaticContact CH2-NE1 3.89Å; W89-W93 AromaticContact CZ2-CD1 3.5Å; W89-W93 VanDerWaalsContact CZ2-CD1 3.5Å; W89-W93 AromaticContact CZ2-CD2 3.89Å; W89-W93 HydrophobicContact CZ2-CD2 3.89Å; W89-W93 AromaticContact CZ2-CE2 3.29Å; W89-W93 AromaticContact CZ2-CG 3.98Å; W89-W93 HydrophobicContact CZ2-CG 3.98Å; W89-W93 AromaticContact CZ2-CZ2 3.75Å; W89-W93 HydrophobicContact CZ2-CZ2 3.75Å; W89-W93 AromaticContact CZ2-NE1 3.07Å; W89-W93 HydrophobicContact CZ3-CG 4.15Å; W89-W93 AromaticContact NE1-CD1 3.38Å; W89-W93 AromaticContact NE1-NE1 2.97Å; W89-W93 WeakPolarHBondContact O-CB 3.5Å; W89-W93 PolarHBondContact O-N 3.04Å |
| 90 | R | 55.1 | Low | 51.6 | Low | 175 Ų | 175 | 128.7 Ų | 128.7 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.4 | -40.3 | 176.3 | -169.2 | -177.1 | -86.4 | -167.7 | -3.4 | 111.5 | K86 W94 | K86-R90 WeakPolarHBondContact O-CB 3.33Å; K86-R90 PolarHBondContact O-N 2.9Å; R90-W94 WeakPolarHBondContact O-CB 3.42Å; R90-W94 VanDerWaalsContact O-CD1 3.25Å; R90-W94 PolarHBondContact O-N 2.79Å |
| 91 | R | 61.5 | Low | 51.9 | Low | 175 Ų | 175 | 128 Ų | 128 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 173.6 | -79.2 | -175.6 | -172.2 | 175.1 | 2.7 | 112.9 | R87 K88 W89 W94 R95 | R87-R91 PolarHBondContact O-N 2.75Å; R87-R91 VanDerWaalsContact O-N 3.13Å; K88-R91 PolarHBondContact O-N 3.36Å; W89-R91 VanDerWaalsContact C-N 3.3Å; W89-R91 PolarHBondContact O-N 2.85Å; R91-W94 PolarHBondContact O-N 3.28Å; R91-R95 PolarHBondContact O-N 3.36Å; R91-R95 VanDerWaalsContact O-N 3.16Å |
| 92 | R | 56.7 | Low | 52.6 | Low | 193 Ų | 193 | 125 Ų | 125 | 73% | 0.728 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.5 | -42.7 | 179.9 | -146.3 | 175.6 | -154.8 | 171.3 | 4.8 | 111.2 | K88 W89 R95 L96 | K88-R92 PolarHBondContact O-N 3.16Å; W89-R92 PolarHBondContact O-N 3.06Å; R92-R95 PolarHBondContact O-N 3.45Å; R92-L96 PolarHBondContact O-N 3.39Å |
| 93 | W | 51.8 | Low | 53.1 | Low | 74 Ų | 74 | 130.6 Ų | 130.6 | 28% | 0.28 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.6 | -42.4 | 172.9 | -91.4 | 80.2 | 0 | 0 | 0 | 112.6 | A75 W89 R95 L96 C97 | A75-W93 HydrophobicContact CB-CH2 4.48Å; W89-W93 AromaticContact CD1-CD1 3.69Å; W89-W93 AromaticContact CD1-NE1 3.7Å; W89-W93 AromaticContact CD2-CD1 3.25Å; W89-W93 HydrophobicContact CD2-CG 4.05Å; W89-W93 AromaticContact CD2-NE1 3.62Å; W89-W93 AromaticContact CE2-CD1 3.09Å; W89-W93 AromaticContact CE2-CE2 3.66Å; W89-W93 AromaticContact CE2-CG 3.97Å; W89-W93 AromaticContact CE2-NE1 2.89Å; W89-W93 AromaticContact CE3-CD1 3.79Å; W89-W93 HydrophobicContact CE3-CG 4.15Å; W89-W93 AromaticContact CG-CD1 3.67Å; W89-W93 AromaticContact CH2-CD1 3.97Å; W89-W93 HydrophobicContact CH2-CD2 4.01Å; W89-W93 AromaticContact CH2-CE2 3.87Å; W89-W93 HydrophobicContact CH2-CG 4.05Å; W89-W93 HydrophobicContact CH2-CZ2 4.39Å; W89-W93 AromaticContact CH2-NE1 3.89Å; W89-W93 AromaticContact CZ2-CD1 3.5Å; W89-W93 VanDerWaalsContact CZ2-CD1 3.5Å; W89-W93 AromaticContact CZ2-CD2 3.89Å; W89-W93 HydrophobicContact CZ2-CD2 3.89Å; W89-W93 AromaticContact CZ2-CE2 3.29Å; W89-W93 AromaticContact CZ2-CG 3.98Å; W89-W93 HydrophobicContact CZ2-CG 3.98Å; W89-W93 AromaticContact CZ2-CZ2 3.75Å; W89-W93 HydrophobicContact CZ2-CZ2 3.75Å; W89-W93 AromaticContact CZ2-NE1 3.07Å; W89-W93 HydrophobicContact CZ3-CG 4.15Å; W89-W93 AromaticContact NE1-CD1 3.38Å; W89-W93 AromaticContact NE1-NE1 2.97Å; W89-W93 WeakPolarHBondContact O-CB 3.5Å; W89-W93 PolarHBondContact O-N 3.04Å; W93-R95 VanDerWaalsContact C-N 3.29Å; W93-R95 PolarHBondContact O-N 3.24Å; W93-L96 PolarHBondContact O-N 3.34Å; W93-C97 WeakPolarHBondContact O-CB 3.38Å; W93-C97 PolarHBondContact O-N 2.81Å |
| 94 | W | 55.8 | Low | 53.3 | Low | 119 Ų | 119 | 129.3 Ų | 129.3 | 45% | 0.451 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.5 | -37.5 | 173.6 | -98.7 | 103.3 | 0 | 0 | 0 | 112.9 | F21 R90 R91 R98 | F21-W94 AromaticContact CD1-CH2 3.93Å; F21-W94 HydrophobicContact CD1-CH2 3.93Å; F21-W94 AromaticContact CD1-CZ2 3.53Å; F21-W94 HydrophobicContact CD1-CZ2 3.53Å; F21-W94 AromaticContact CE1-CZ2 3.88Å; F21-W94 HydrophobicContact CE1-CZ2 3.88Å; R90-W94 WeakPolarHBondContact O-CB 3.42Å; R90-W94 VanDerWaalsContact O-CD1 3.25Å; R90-W94 PolarHBondContact O-N 2.79Å; R91-W94 PolarHBondContact O-N 3.28Å; W94-R98 WeakPolarHBondContact O-CB 2.9Å; W94-R98 PolarHBondContact O-N 2.9Å |
| 95 | R | 59.8 | Low | 53.6 | Low | 208 Ų | 208 | 124.6 Ų | 124.6 | 79% | 0.785 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.1 | -39.9 | 176.7 | -72.3 | -177.1 | -174.7 | 179.1 | 0.4 | 112.4 | R91 R92 W93 P99 | R91-R95 PolarHBondContact O-N 3.36Å; R91-R95 VanDerWaalsContact O-N 3.16Å; R92-R95 PolarHBondContact O-N 3.45Å; W93-R95 VanDerWaalsContact C-N 3.29Å; W93-R95 PolarHBondContact O-N 3.24Å; R95-P99 VanDerWaalsContact O-CD 3.24Å; R95-P99 WeakPolarHBondContact O-CD 3.14Å |
| 96 | L | 48.3 | Very low | 53.4 | Low | 119 Ų | 119 | 125.4 Ų | 125.4 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -77.1 | -36.3 | -179 | -78.6 | 160.9 | 0 | 0 | 0 | 113.1 | R92 W93 T100 | R92-L96 PolarHBondContact O-N 3.39Å; W93-L96 PolarHBondContact O-N 3.34Å; L96-T100 PolarHBondContact O-OG1 2.83Å |
| 97 | C | 49.6 | Very low | 53.8 | Low | 54 Ų | 54 | 124.6 Ų | 124.6 | 37% | 0.365 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -85.5 | -30.3 | -172.8 | -151.4 | 0 | 0 | 0 | 0 | 112.7 | W93 T100 L101 | W93-C97 WeakPolarHBondContact O-CB 3.38Å; W93-C97 PolarHBondContact O-N 2.81Å; C97-T100 PolarHBondContact O-N 3.43Å; C97-L101 VanDerWaalsContact O-CB 3.24Å; C97-L101 WeakPolarHBondContact O-CB 3.21Å; C97-L101 PolarHBondContact O-N 2.76Å |
| 98 | R | 45.7 | Very low | 53.4 | Low | 164 Ų | 164 | 120.9 Ų | 120.9 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.4 | -47.5 | -178.1 | -165.9 | 174.8 | -168 | 176.5 | 2.8 | 114.6 | W94 I102 | W94-R98 WeakPolarHBondContact O-CB 2.9Å; W94-R98 PolarHBondContact O-N 2.9Å; R98-I102 HydrophobicContact CG-CD1 3.78Å; R98-I102 VanDerWaalsContact O-CB 3.3Å; R98-I102 WeakPolarHBondContact O-CB 3.49Å; R98-I102 WeakPolarHBondContact O-CD1 3.04Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 2.86Å |
| 99 | P | 48.9 | Very low | 53.1 | Low | 70 Ų | 70 | 118 Ų | 118 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.8 | -36.2 | -179.9 | 26 | -32.8 | 0 | 0 | 0 | 112.6 | R95 R103 | R95-P99 VanDerWaalsContact O-CD 3.24Å; R95-P99 WeakPolarHBondContact O-CD 3.14Å; P99-R103 WeakPolarHBondContact O-CB 3.27Å; P99-R103 PolarHBondContact O-N 3.48Å |
| 100 | T | 54.8 | Low | 52.6 | Low | 76 Ų | 76 | 120.8 Ų | 120.8 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.6 | -41.9 | -178.8 | -43.5 | 0 | 0 | 0 | 0 | 111.4 | L96 C97 R103 I104 | L96-T100 PolarHBondContact O-OG1 2.83Å; C97-T100 PolarHBondContact O-N 3.43Å; T100-R103 PolarHBondContact O-N 3.4Å; T100-I104 HydrophobicContact CG2-CD1 4.1Å; T100-I104 WeakPolarHBondContact O-CB 3.47Å; T100-I104 VanDerWaalsContact O-CG1 3.3Å; T100-I104 WeakPolarHBondContact O-CG1 3.47Å; T100-I104 PolarHBondContact O-N 2.8Å |
| 101 | L | 49.8 | Very low | 52.2 | Low | 96 Ų | 96 | 117 Ų | 117 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 176.3 | -157 | 114.8 | 0 | 0 | 0 | 111 | C97 I104 L105 | C97-L101 VanDerWaalsContact O-CB 3.24Å; C97-L101 WeakPolarHBondContact O-CB 3.21Å; C97-L101 PolarHBondContact O-N 2.76Å; L101-I104 PolarHBondContact O-N 3.47Å; L101-L105 HydrophobicContact CD2-CD1 3.72Å; L101-L105 HydrophobicContact CG-CD1 4.3Å; L101-L105 VanDerWaalsContact O-CB 3.3Å; L101-L105 WeakPolarHBondContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CD1 3.23Å; L101-L105 WeakPolarHBondContact O-CG 3.47Å; L101-L105 PolarHBondContact O-N 3.11Å |
| 102 | I | 55.4 | Low | 51.7 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.1 | -70.2 | 168.4 | 0 | 0 | 0 | 110.9 | R98 L106 | R98-I102 HydrophobicContact CG-CD1 3.78Å; R98-I102 VanDerWaalsContact O-CB 3.3Å; R98-I102 WeakPolarHBondContact O-CB 3.49Å; R98-I102 WeakPolarHBondContact O-CD1 3.04Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 2.86Å; I102-L106 HydrophobicContact CG2-CD1 3.59Å; I102-L106 HydrophobicContact CG2-CG 4.14Å; I102-L106 VanDerWaalsContact O-CB 3.22Å; I102-L106 WeakPolarHBondContact O-CB 3.22Å; I102-L106 VanDerWaalsContact O-CG 3.23Å; I102-L106 WeakPolarHBondContact O-CG 3.35Å; I102-L106 PolarHBondContact O-N 3.3Å |
| 103 | R | 55.9 | Low | 50.9 | Low | 189 Ų | 189 | 106 Ų | 106 | 71% | 0.713 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -48.3 | 174.8 | -87.9 | -175.7 | -173 | 164.2 | 2.6 | 111.6 | P99 T100 L105 L106 T107 | P99-R103 WeakPolarHBondContact O-CB 3.27Å; P99-R103 PolarHBondContact O-N 3.48Å; T100-R103 PolarHBondContact O-N 3.4Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 3.12Å; R103-L106 PolarHBondContact O-N 3.38Å; R103-T107 VanDerWaalsContact O-CB 3.26Å; R103-T107 WeakPolarHBondContact O-CB 3.34Å; R103-T107 PolarHBondContact O-N 2.76Å; R103-T107 PolarHBondContact O-OG1 3.2Å |
| 104 | I | 54.4 | Low | 50.2 | Low | 81 Ų | 81 | 107.9 Ų | 107.9 | 42% | 0.415 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 179.7 | -69 | 166.5 | 0 | 0 | 0 | 110.5 | T100 L101 T107 L108 | T100-I104 HydrophobicContact CG2-CD1 4.1Å; T100-I104 WeakPolarHBondContact O-CB 3.47Å; T100-I104 VanDerWaalsContact O-CG1 3.3Å; T100-I104 WeakPolarHBondContact O-CG1 3.47Å; T100-I104 PolarHBondContact O-N 2.8Å; L101-I104 PolarHBondContact O-N 3.47Å; I104-T107 PolarHBondContact O-N 3.3Å; I104-L108 HydrophobicContact CG2-CD1 3.57Å; I104-L108 HydrophobicContact CG2-CG 4.28Å; I104-L108 VanDerWaalsContact O-CB 3.25Å; I104-L108 WeakPolarHBondContact O-CB 3.3Å; I104-L108 WeakPolarHBondContact O-CD1 3.49Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 2.91Å |
| 105 | L | 53.4 | Low | 49.6 | Very low | 66 Ų | 66 | 111.7 Ų | 111.7 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 173.9 | -70.5 | 166.6 | 0 | 0 | 0 | 111 | L101 R103 T107 L108 F109 | L101-L105 HydrophobicContact CD2-CD1 3.72Å; L101-L105 HydrophobicContact CG-CD1 4.3Å; L101-L105 VanDerWaalsContact O-CB 3.3Å; L101-L105 WeakPolarHBondContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CD1 3.23Å; L101-L105 WeakPolarHBondContact O-CG 3.47Å; L101-L105 PolarHBondContact O-N 3.11Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 3.12Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 3.03Å; L105-L108 PolarHBondContact O-N 3.47Å; L105-F109 HydrophobicContact CB-CD2 4.25Å; L105-F109 HydrophobicContact CB-CE2 4.46Å; L105-F109 HydrophobicContact CD2-CD2 4.34Å; L105-F109 HydrophobicContact CD2-CE2 3.73Å; L105-F109 WeakPolarHBondContact O-CB 3.21Å; L105-F109 WeakPolarHBondContact O-CD2 3.48Å; L105-F109 WeakPolarHBondContact O-CG 3.26Å; L105-F109 PolarHBondContact O-N 2.89Å |
| 106 | L | 51.1 | Low | 49 | Very low | 103 Ų | 103 | 105.8 Ų | 105.8 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -35.5 | 178.1 | -76.3 | 171.6 | 0 | 0 | 0 | 112.8 | I102 R103 R110 | I102-L106 HydrophobicContact CG2-CD1 3.59Å; I102-L106 HydrophobicContact CG2-CG 4.14Å; I102-L106 VanDerWaalsContact O-CB 3.22Å; I102-L106 WeakPolarHBondContact O-CB 3.22Å; I102-L106 VanDerWaalsContact O-CG 3.23Å; I102-L106 WeakPolarHBondContact O-CG 3.35Å; I102-L106 PolarHBondContact O-N 3.3Å; R103-L106 PolarHBondContact O-N 3.38Å; L106-R110 WeakPolarHBondContact O-CA 3.35Å; L106-R110 WeakPolarHBondContact O-CB 3.19Å; L106-R110 WeakPolarHBondContact O-CG 3.49Å; L106-R110 PolarHBondContact O-N 3.17Å |
| 107 | T | 54.6 | Low | 48.5 | Very low | 101 Ų | 101 | 103.2 Ų | 103.2 | 62% | 0.62 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.4 | -43.8 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 111 | R103 I104 L105 F109 | R103-T107 VanDerWaalsContact O-CB 3.26Å; R103-T107 WeakPolarHBondContact O-CB 3.34Å; R103-T107 PolarHBondContact O-N 2.76Å; R103-T107 PolarHBondContact O-OG1 3.2Å; I104-T107 PolarHBondContact O-N 3.3Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 3.03Å; T107-F109 VanDerWaalsContact C-N 3.31Å; T107-F109 PolarHBondContact O-N 3.45Å |
| 108 | L | 50.5 | Low | 47.8 | Very low | 120 Ų | 120 | 109.8 Ų | 109.8 | 63% | 0.628 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.8 | -32.2 | 176.3 | -75 | 167.4 | 0 | 0 | 0 | 112.5 | I104 L105 S112 | I104-L108 HydrophobicContact CG2-CD1 3.57Å; I104-L108 HydrophobicContact CG2-CG 4.28Å; I104-L108 VanDerWaalsContact O-CB 3.25Å; I104-L108 WeakPolarHBondContact O-CB 3.3Å; I104-L108 WeakPolarHBondContact O-CD1 3.49Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 2.91Å; L105-L108 PolarHBondContact O-N 3.47Å; L108-S112 PolarHBondContact O-OG 3.23Å |
| 109 | F | 50.3 | Low | 48.1 | Very low | 95 Ų | 95 | 107.9 Ų | 107.9 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -96.2 | -12.7 | -176.9 | -75.6 | -57.5 | 0 | 0 | 0 | 114.7 | L105 T107 S112 I113 | L105-F109 HydrophobicContact CB-CD2 4.25Å; L105-F109 HydrophobicContact CB-CE2 4.46Å; L105-F109 HydrophobicContact CD2-CD2 4.34Å; L105-F109 HydrophobicContact CD2-CE2 3.73Å; L105-F109 WeakPolarHBondContact O-CB 3.21Å; L105-F109 WeakPolarHBondContact O-CD2 3.48Å; L105-F109 WeakPolarHBondContact O-CG 3.26Å; L105-F109 PolarHBondContact O-N 2.89Å; T107-F109 VanDerWaalsContact C-N 3.31Å; T107-F109 PolarHBondContact O-N 3.45Å; F109-S112 PolarHBondContact O-N 2.93Å; F109-I113 HydrophobicContact CB-CB 4.24Å; F109-I113 HydrophobicContact CB-CD1 3.41Å; F109-I113 VanDerWaalsContact CB-CD1 3.41Å; F109-I113 HydrophobicContact CB-CG1 3.61Å; F109-I113 HydrophobicContact CD1-CD1 3.4Å; F109-I113 HydrophobicContact CD1-CG1 3.51Å; F109-I113 HydrophobicContact CD2-CD1 4.11Å; F109-I113 HydrophobicContact CE1-CD1 4.14Å; F109-I113 HydrophobicContact CE1-CG1 4.43Å; F109-I113 HydrophobicContact CG-CD1 3.37Å; F109-I113 HydrophobicContact CG-CG1 3.81Å; F109-I113 WeakPolarHBondContact O-CA 3.46Å; F109-I113 VanDerWaalsContact O-CB 3.25Å; F109-I113 WeakPolarHBondContact O-CB 3.25Å; F109-I113 PolarHBondContact O-N 3.46Å |
| 110 | R | 40.8 | Very low | 48.1 | Very low | 180 Ų | 180 | 108.1 Ų | 108.1 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.4 | -45 | -175.3 | -114.1 | -179.2 | 173.3 | 177.9 | -2.2 | 114 | L106 L114 | L106-R110 WeakPolarHBondContact O-CA 3.35Å; L106-R110 WeakPolarHBondContact O-CB 3.19Å; L106-R110 WeakPolarHBondContact O-CG 3.49Å; L106-R110 PolarHBondContact O-N 3.17Å; R110-L114 VanDerWaalsContact O-CB 3.29Å; R110-L114 WeakPolarHBondContact O-CB 3.28Å; R110-L114 VanDerWaalsContact O-CD1 3.26Å; R110-L114 WeakPolarHBondContact O-CD1 3.36Å; R110-L114 VanDerWaalsContact O-CG 3.28Å; R110-L114 WeakPolarHBondContact O-CG 3.29Å |
| 111 | P | 47.4 | Very low | 47.7 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 61% | 0.61 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -82.3 | -31.2 | 179.8 | 26.2 | -26.1 | 0 | 0 | 0 | 113.6 | ||
| 112 | S | 50.3 | Low | 47.7 | Very low | 54 Ų | 54 | 108 Ų | 108 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -83.2 | -48.6 | -177.4 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | L108 F109 L114 R115 T116 | L108-S112 PolarHBondContact O-OG 3.23Å; F109-S112 PolarHBondContact O-N 2.93Å; S112-L114 PolarHBondContact O-N 2.82Å; S112-R115 PolarHBondContact O-N 2.8Å; S112-T116 PolarHBondContact O-N 2.92Å; S112-T116 PolarHBondContact O-OG1 3.44Å |
| 113 | I | 40.6 | Very low | 47.4 | Very low | 83 Ų | 83 | 112.6 Ų | 112.6 | 43% | 0.426 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -34.7 | 177.7 | -64.8 | -169.6 | 0 | 0 | 0 | 111.7 | F109 R115 C117 | F109-I113 HydrophobicContact CB-CB 4.24Å; F109-I113 HydrophobicContact CB-CD1 3.41Å; F109-I113 VanDerWaalsContact CB-CD1 3.41Å; F109-I113 HydrophobicContact CB-CG1 3.61Å; F109-I113 HydrophobicContact CD1-CD1 3.4Å; F109-I113 HydrophobicContact CD1-CG1 3.51Å; F109-I113 HydrophobicContact CD2-CD1 4.11Å; F109-I113 HydrophobicContact CE1-CD1 4.14Å; F109-I113 HydrophobicContact CE1-CG1 4.43Å; F109-I113 HydrophobicContact CG-CD1 3.37Å; F109-I113 HydrophobicContact CG-CG1 3.81Å; F109-I113 WeakPolarHBondContact O-CA 3.46Å; F109-I113 VanDerWaalsContact O-CB 3.25Å; F109-I113 WeakPolarHBondContact O-CB 3.25Å; F109-I113 PolarHBondContact O-N 3.46Å; I113-R115 VanDerWaalsContact C-N 3.28Å; I113-R115 PolarHBondContact O-N 3.41Å; I113-C117 HydrophobicContact CG2-CB 4.03Å; I113-C117 WeakPolarHBondContact O-CA 2.91Å; I113-C117 WeakPolarHBondContact O-CB 3.45Å; I113-C117 PolarHBondContact O-N 3.37Å |
| 114 | L | 37.7 | Very low | 47.1 | Very low | 115 Ų | 115 | 112 Ų | 112 | 60% | 0.602 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.2 | -32.2 | 175.9 | -78.4 | 172.6 | 0 | 0 | 0 | 112.3 | R110 S112 R118 | R110-L114 VanDerWaalsContact O-CB 3.29Å; R110-L114 WeakPolarHBondContact O-CB 3.28Å; R110-L114 VanDerWaalsContact O-CD1 3.26Å; R110-L114 WeakPolarHBondContact O-CD1 3.36Å; R110-L114 VanDerWaalsContact O-CG 3.28Å; R110-L114 WeakPolarHBondContact O-CG 3.29Å; S112-L114 PolarHBondContact O-N 2.82Å; L114-R118 WeakPolarHBondContact O-CB 3.2Å; L114-R118 PolarHBondContact O-N 2.97Å; L114-R118 VanDerWaalsContact O-N 3.16Å |
| 115 | R | 41.5 | Very low | 46.7 | Very low | 198 Ų | 198 | 117.3 Ų | 117.3 | 75% | 0.747 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.3 | -49.6 | 173.4 | -79.9 | -174.7 | -176.7 | 172.7 | 2.6 | 112.1 | S112 I113 R118 L119 | S112-R115 PolarHBondContact O-N 2.8Å; I113-R115 VanDerWaalsContact C-N 3.28Å; I113-R115 PolarHBondContact O-N 3.41Å; R115-R118 PolarHBondContact O-N 2.74Å; R115-L119 WeakPolarHBondContact O-CB 3.26Å; R115-L119 WeakPolarHBondContact O-CG 3.34Å; R115-L119 PolarHBondContact O-N 2.75Å |
| 116 | T | 47.8 | Very low | 46.8 | Very low | 85 Ų | 85 | 119.2 Ų | 119.2 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.8 | -40.6 | -178.1 | -30.2 | 0 | 0 | 0 | 0 | 111.2 | S112 L119 T120 | S112-T116 PolarHBondContact O-N 2.92Å; S112-T116 PolarHBondContact O-OG1 3.44Å; T116-L119 PolarHBondContact O-N 2.83Å; T116-T120 WeakPolarHBondContact O-CB 3.44Å; T116-T120 PolarHBondContact O-N 3.4Å; T116-T120 PolarHBondContact O-OG1 2.81Å |
| 117 | C | 37.1 | Very low | 47.1 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 44% | 0.439 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.7 | -36.7 | 176.4 | -162 | 0 | 0 | 0 | 0 | 112 | I113 C121 | I113-C117 HydrophobicContact CG2-CB 4.03Å; I113-C117 WeakPolarHBondContact O-CA 2.91Å; I113-C117 WeakPolarHBondContact O-CB 3.45Å; I113-C117 PolarHBondContact O-N 3.37Å; C117-C121 WeakPolarHBondContact O-CB 3.12Å; C117-C121 PolarHBondContact O-N 3.16Å |
| 118 | R | 36.7 | Very low | 47.1 | Very low | 191 Ų | 191 | 119.7 Ų | 119.7 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.9 | -46.3 | 170.4 | -98.3 | -176.3 | 165 | 173.2 | -3.7 | 111.4 | L114 R115 L122 | L114-R118 WeakPolarHBondContact O-CB 3.2Å; L114-R118 PolarHBondContact O-N 2.97Å; L114-R118 VanDerWaalsContact O-N 3.16Å; R115-R118 PolarHBondContact O-N 2.74Å; R118-L122 VanDerWaalsContact O-CB 3.23Å; R118-L122 WeakPolarHBondContact O-CB 3.23Å; R118-L122 WeakPolarHBondContact O-CD1 3.18Å; R118-L122 PolarHBondContact O-N 2.86Å |
| 119 | L | 50.3 | Low | 47.4 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -43.7 | -180 | -76.3 | 165.6 | 0 | 0 | 0 | 111.7 | R115 T116 L122 R123 | R115-L119 WeakPolarHBondContact O-CB 3.26Å; R115-L119 WeakPolarHBondContact O-CG 3.34Å; R115-L119 PolarHBondContact O-N 2.75Å; T116-L119 PolarHBondContact O-N 2.83Å; L119-L122 PolarHBondContact O-N 2.82Å; L119-R123 WeakPolarHBondContact O-CB 3.5Å; L119-R123 PolarHBondContact O-N 2.8Å |
| 120 | T | 50.2 | Low | 47.7 | Very low | 75 Ų | 75 | 124 Ų | 124 | 46% | 0.46 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.3 | -34.8 | 179 | -44.9 | 0 | 0 | 0 | 0 | 112.2 | T116 R124 | T116-T120 WeakPolarHBondContact O-CB 3.44Å; T116-T120 PolarHBondContact O-N 3.4Å; T116-T120 PolarHBondContact O-OG1 2.81Å; T120-R124 WeakPolarHBondContact O-CB 3.5Å; T120-R124 PolarHBondContact O-N 2.84Å |
| 121 | C | 46.1 | Very low | 48.5 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.3 | -36.3 | 172.3 | -83.2 | 0 | 0 | 0 | 0 | 112.9 | C117 R125 | C117-C121 WeakPolarHBondContact O-CB 3.12Å; C117-C121 PolarHBondContact O-N 3.16Å; C121-R125 VanDerWaalsContact O-CB 3.29Å; C121-R125 WeakPolarHBondContact O-CB 3.37Å; C121-R125 PolarHBondContact O-N 2.83Å |
| 122 | L | 50.3 | Low | 48.8 | Very low | 99 Ų | 99 | 125 Ų | 125 | 52% | 0.518 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.3 | -43.4 | 170.3 | -105.8 | 126.9 | 0 | 0 | 0 | 110.4 | R118 L119 R125 L126 | R118-L122 VanDerWaalsContact O-CB 3.23Å; R118-L122 WeakPolarHBondContact O-CB 3.23Å; R118-L122 WeakPolarHBondContact O-CD1 3.18Å; R118-L122 PolarHBondContact O-N 2.86Å; L119-L122 PolarHBondContact O-N 2.82Å; L122-R125 PolarHBondContact O-N 3.49Å; L122-L126 HydrophobicContact CD2-CD1 4.35Å; L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 VanDerWaalsContact O-CG 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.37Å; L122-L126 PolarHBondContact O-N 3.19Å |
| 123 | R | 48.3 | Very low | 49.2 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 66% | 0.664 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -45.1 | 177.8 | -157.2 | 174.8 | -159.6 | 169.4 | 5.5 | 111.4 | L119 L126 E127 | L119-R123 WeakPolarHBondContact O-CB 3.5Å; L119-R123 PolarHBondContact O-N 2.8Å; R123-L126 PolarHBondContact O-N 3.41Å; R123-E127 WeakPolarHBondContact O-CB 3.41Å; R123-E127 WeakPolarHBondContact O-CG 3.28Å; R123-E127 PolarHBondContact O-N 2.89Å |
| 124 | R | 48.8 | Very low | 50.2 | Low | 176 Ų | 176 | 132.1 Ų | 132.1 | 66% | 0.664 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.4 | -39 | 172.6 | -89.2 | -174.5 | 172.7 | 178 | -1.6 | 113.3 | T120 L128 | T120-R124 WeakPolarHBondContact O-CB 3.5Å; T120-R124 PolarHBondContact O-N 2.84Å; R124-L128 VanDerWaalsContact O-CB 3.3Å; R124-L128 WeakPolarHBondContact O-CB 3.3Å; R124-L128 WeakPolarHBondContact O-CD1 3.29Å; R124-L128 VanDerWaalsContact O-CG 3.3Å; R124-L128 WeakPolarHBondContact O-CG 3.3Å; R124-L128 PolarHBondContact O-N 2.9Å |
| 125 | R | 47.7 | Very low | 51 | Low | 194 Ų | 194 | 129.8 Ų | 129.8 | 73% | 0.732 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.5 | -40.4 | 175 | -89.9 | -175.4 | 165.4 | -171.8 | -3.8 | 111.7 | C121 L122 L129 | C121-R125 VanDerWaalsContact O-CB 3.29Å; C121-R125 WeakPolarHBondContact O-CB 3.37Å; C121-R125 PolarHBondContact O-N 2.83Å; L122-R125 PolarHBondContact O-N 3.49Å; R125-L129 WeakPolarHBondContact O-CB 3.29Å; R125-L129 VanDerWaalsContact O-CG 3.29Å; R125-L129 WeakPolarHBondContact O-CG 3.29Å; R125-L129 PolarHBondContact O-N 2.98Å |
| 126 | L | 55.5 | Low | 51.7 | Low | 105 Ų | 105 | 129.6 Ų | 129.6 | 55% | 0.55 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.6 | -39.2 | 176.8 | -74.1 | 168.4 | 0 | 0 | 0 | 111.9 | L122 R123 L129 R130 | L122-L126 HydrophobicContact CD2-CD1 4.35Å; L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 VanDerWaalsContact O-CG 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.37Å; L122-L126 PolarHBondContact O-N 3.19Å; R123-L126 PolarHBondContact O-N 3.41Å; L126-L129 PolarHBondContact O-N 2.84Å; L126-R130 WeakPolarHBondContact O-CB 3.46Å; L126-R130 PolarHBondContact O-N 3.36Å |
| 127 | E | 57.6 | Low | 52.4 | Low | 102 Ų | 102 | 131.8 Ų | 131.8 | 48% | 0.477 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.8 | -43.6 | 172.7 | -79.3 | 170.3 | 179.6 | 0 | 0 | 111.8 | R123 L129 R130 I131 | R123-E127 WeakPolarHBondContact O-CB 3.41Å; R123-E127 WeakPolarHBondContact O-CG 3.28Å; R123-E127 PolarHBondContact O-N 2.89Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.35Å; E127-R130 PolarHBondContact O-N 2.82Å; E127-I131 WeakPolarHBondContact O-CB 3.32Å; E127-I131 VanDerWaalsContact O-CG1 3.29Å; E127-I131 WeakPolarHBondContact O-CG1 3.16Å; E127-I131 PolarHBondContact O-N 3.31Å |
| 128 | L | 54 | Low | 53.8 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 59% | 0.592 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63 | -35.5 | 174.4 | -79.5 | 165.4 | 0 | 0 | 0 | 112.5 | R124 R132 | R124-L128 VanDerWaalsContact O-CB 3.3Å; R124-L128 WeakPolarHBondContact O-CB 3.3Å; R124-L128 WeakPolarHBondContact O-CD1 3.29Å; R124-L128 VanDerWaalsContact O-CG 3.3Å; R124-L128 WeakPolarHBondContact O-CG 3.3Å; R124-L128 PolarHBondContact O-N 2.9Å; L128-R132 WeakPolarHBondContact O-CB 3.37Å; L128-R132 PolarHBondContact O-N 2.94Å |
| 129 | L | 56 | Low | 55 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.9 | -38.5 | 173.3 | -74.3 | 171.6 | 0 | 0 | 0 | 112.1 | R125 L126 E127 R132 R133 | R125-L129 WeakPolarHBondContact O-CB 3.29Å; R125-L129 VanDerWaalsContact O-CG 3.29Å; R125-L129 WeakPolarHBondContact O-CG 3.29Å; R125-L129 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 2.84Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 3.35Å; L129-R132 PolarHBondContact O-N 3.33Å; L129-R133 WeakPolarHBondContact O-CB 3.48Å; L129-R133 PolarHBondContact O-N 2.96Å |
| 130 | R | 57.7 | Low | 55.9 | Low | 194 Ų | 194 | 131.3 Ų | 131.3 | 73% | 0.732 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.5 | -43 | 177 | -155.1 | 174.8 | -164.9 | 160.3 | 3.3 | 111.2 | L126 E127 R133 I134 | L126-R130 WeakPolarHBondContact O-CB 3.46Å; L126-R130 PolarHBondContact O-N 3.36Å; E127-R130 PolarHBondContact O-N 2.82Å; R130-R133 PolarHBondContact O-N 3.46Å; R130-I134 HydrophobicContact CG-CD1 4.36Å; R130-I134 VanDerWaalsContact O-CG1 3.31Å; R130-I134 WeakPolarHBondContact O-CG1 3.4Å; R130-I134 PolarHBondContact O-N 2.83Å |
| 131 | I | 56.8 | Low | 56.8 | Low | 101 Ų | 101 | 133.5 Ų | 133.5 | 52% | 0.518 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -44.7 | 174.2 | -66.1 | 166.9 | 0 | 0 | 0 | 110.4 | E127 R133 I134 V135 | E127-I131 WeakPolarHBondContact O-CB 3.32Å; E127-I131 VanDerWaalsContact O-CG1 3.29Å; E127-I131 WeakPolarHBondContact O-CG1 3.16Å; E127-I131 PolarHBondContact O-N 3.31Å; I131-R133 VanDerWaalsContact C-N 3.29Å; I131-R133 PolarHBondContact O-N 3.33Å; I131-I134 PolarHBondContact O-N 3.31Å; I131-V135 HydrophobicContact CG2-CG2 3.99Å; I131-V135 VanDerWaalsContact O-CB 3.3Å; I131-V135 WeakPolarHBondContact O-CB 3.45Å; I131-V135 WeakPolarHBondContact O-CG2 3.31Å; I131-V135 PolarHBondContact O-N 3.4Å |
| 132 | R | 53.4 | Low | 57.7 | Low | 193 Ų | 193 | 134 Ų | 134 | 73% | 0.728 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.1 | -36.3 | 175.6 | -96.4 | -175.1 | 176 | 177.4 | -0.5 | 113.2 | L128 L129 R136 | L128-R132 WeakPolarHBondContact O-CB 3.37Å; L128-R132 PolarHBondContact O-N 2.94Å; L129-R132 PolarHBondContact O-N 3.33Å; R132-R136 WeakPolarHBondContact O-CB 3.3Å; R132-R136 PolarHBondContact O-N 3.01Å |
| 133 | R | 59.8 | Low | 58.1 | Low | 193 Ų | 193 | 131.4 Ų | 131.4 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.6 | -40.3 | 179.3 | -162.6 | 179.3 | -99.5 | 178 | -7.6 | 111.7 | L129 R130 I131 R136 M137 | L129-R133 WeakPolarHBondContact O-CB 3.48Å; L129-R133 PolarHBondContact O-N 2.96Å; R130-R133 PolarHBondContact O-N 3.46Å; I131-R133 VanDerWaalsContact C-N 3.29Å; I131-R133 PolarHBondContact O-N 3.33Å; R133-R136 PolarHBondContact O-N 2.97Å; R133-M137 PolarHBondContact O-N 3.36Å |
| 134 | I | 60.7 | Low | 58.7 | Low | 94 Ų | 94 | 125.9 Ų | 125.9 | 48% | 0.482 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -46.5 | 173.2 | -67.3 | 166.4 | 0 | 0 | 0 | 110.3 | R130 I131 R136 M137 H138 | R130-I134 HydrophobicContact CG-CD1 4.36Å; R130-I134 VanDerWaalsContact O-CG1 3.31Å; R130-I134 WeakPolarHBondContact O-CG1 3.4Å; R130-I134 PolarHBondContact O-N 2.83Å; I131-I134 PolarHBondContact O-N 3.31Å; I134-R136 PolarHBondContact O-N 2.96Å; I134-M137 PolarHBondContact O-N 3.28Å; I134-H138 WeakPolarHBondContact O-CB 3.24Å; I134-H138 PolarHBondContact O-N 3.5Å |
| 135 | V | 55.2 | Low | 59.3 | Low | 67 Ų | 67 | 121.9 Ų | 121.9 | 41% | 0.406 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -41.5 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | I131 H138 F139 | I131-V135 HydrophobicContact CG2-CG2 3.99Å; I131-V135 VanDerWaalsContact O-CB 3.3Å; I131-V135 WeakPolarHBondContact O-CB 3.45Å; I131-V135 WeakPolarHBondContact O-CG2 3.31Å; I131-V135 PolarHBondContact O-N 3.4Å; V135-H138 PolarHBondContact O-N 2.88Å; V135-F139 HydrophobicContact CG1-CD2 3.64Å; V135-F139 HydrophobicContact CG1-CE2 3.86Å; V135-F139 WeakPolarHBondContact O-CB 3.45Å; V135-F139 WeakPolarHBondContact O-CD2 3.44Å; V135-F139 PolarHBondContact O-N 2.92Å |
| 136 | R | 56.2 | Low | 60 | Low | 194 Ų | 194 | 117.2 Ų | 117.2 | 73% | 0.732 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -42.6 | 173.9 | -90.9 | -172 | -177.7 | 178.3 | 0.2 | 113 | R132 R133 I134 H138 N140 | R132-R136 WeakPolarHBondContact O-CB 3.3Å; R132-R136 PolarHBondContact O-N 3.01Å; R133-R136 PolarHBondContact O-N 2.97Å; I134-R136 PolarHBondContact O-N 2.96Å; R136-H138 VanDerWaalsContact C-N 3.33Å; R136-N140 VanDerWaalsContact O-CB 3.32Å; R136-N140 WeakPolarHBondContact O-CB 3.49Å; R136-N140 VanDerWaalsContact O-CG 3.28Å; R136-N140 PolarHBondContact O-N 2.87Å |
| 137 | M | 61.5 | Low | 60.2 | Low | 130 Ų | 130 | 119.1 Ų | 119.1 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.3 | -40.3 | 175.9 | -75.9 | -155.2 | -76.5 | 0 | 0 | 111.4 | R133 I134 N140 H141 | R133-M137 PolarHBondContact O-N 3.36Å; I134-M137 PolarHBondContact O-N 3.28Å; M137-N140 PolarHBondContact O-N 3Å; M137-H141 WeakPolarHBondContact O-CB 3.35Å; M137-H141 PolarHBondContact O-N 3.47Å |
| 138 | H | 67.7 | Low | 60.4 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 53% | 0.532 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68 | -42.3 | 178.9 | -135.6 | -62.9 | 0 | 0 | 0 | 112.5 | I134 V135 R136 H141 I142 | I134-H138 WeakPolarHBondContact O-CB 3.24Å; I134-H138 PolarHBondContact O-N 3.5Å; V135-H138 PolarHBondContact O-N 2.88Å; R136-H138 VanDerWaalsContact C-N 3.33Å; H138-H141 PolarHBondContact O-N 2.95Å; H138-I142 WeakPolarHBondContact O-CB 3.4Å; H138-I142 VanDerWaalsContact O-CG1 3.24Å; H138-I142 WeakPolarHBondContact O-CG1 3.42Å; H138-I142 PolarHBondContact O-N 3.45Å |
| 139 | F | 62.1 | Low | 60.6 | Low | 142 Ų | 142 | 118.5 Ų | 118.5 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.1 | -40 | 174.8 | -94.8 | -84.1 | 0 | 0 | 0 | 112.1 | V135 H141 I142 A143 | V135-F139 HydrophobicContact CG1-CD2 3.64Å; V135-F139 HydrophobicContact CG1-CE2 3.86Å; V135-F139 WeakPolarHBondContact O-CB 3.45Å; V135-F139 WeakPolarHBondContact O-CD2 3.44Å; V135-F139 PolarHBondContact O-N 2.92Å; F139-H141 VanDerWaalsContact C-N 3.35Å; F139-I142 PolarHBondContact O-N 2.9Å; F139-A143 VanDerWaalsContact O-CB 3.29Å; F139-A143 WeakPolarHBondContact O-CB 3.32Å; F139-A143 PolarHBondContact O-N 3Å |
| 140 | N | 67.8 | Low | 60.8 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.5 | -38.2 | 175.3 | -77 | -1.8 | 0 | 0 | 0 | 112 | R136 M137 A143 A144 | R136-N140 VanDerWaalsContact O-CB 3.32Å; R136-N140 WeakPolarHBondContact O-CB 3.49Å; R136-N140 VanDerWaalsContact O-CG 3.28Å; R136-N140 PolarHBondContact O-N 2.87Å; M137-N140 PolarHBondContact O-N 3Å; N140-A143 PolarHBondContact O-N 2.92Å; N140-A144 WeakPolarHBondContact O-CB 3.33Å; N140-A144 PolarHBondContact O-N 2.99Å |
| 141 | H | 70.1 | Confident | 60.9 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.8 | -41.2 | 177.1 | -165.4 | -90.4 | 0 | 0 | 0 | 112.1 | M137 H138 F139 A144 L145 | M137-H141 WeakPolarHBondContact O-CB 3.35Å; M137-H141 PolarHBondContact O-N 3.47Å; H138-H141 PolarHBondContact O-N 2.95Å; F139-H141 VanDerWaalsContact C-N 3.35Å; H141-A144 PolarHBondContact O-N 3.48Å; H141-L145 WeakPolarHBondContact ND1-CD1 3.29Å; H141-L145 PolarHBondContact O-N 3.49Å |
| 142 | I | 65.3 | Low | 61 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 41% | 0.41 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67 | -38.8 | 175.3 | -67.2 | 166 | 0 | 0 | 0 | 111.1 | H138 F139 L145 N146 | H138-I142 WeakPolarHBondContact O-CB 3.4Å; H138-I142 VanDerWaalsContact O-CG1 3.24Å; H138-I142 WeakPolarHBondContact O-CG1 3.42Å; H138-I142 PolarHBondContact O-N 3.45Å; F139-I142 PolarHBondContact O-N 2.9Å; I142-L145 PolarHBondContact O-N 3.46Å; I142-N146 PolarHBondContact O-N 3.42Å |
| 143 | A | 58.7 | Low | 61.1 | Low | 45 Ų | 45 | 114.4 Ų | 114.4 | 37% | 0.372 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F139 N140 L145 N146 F147 | F139-A143 VanDerWaalsContact O-CB 3.29Å; F139-A143 WeakPolarHBondContact O-CB 3.32Å; F139-A143 PolarHBondContact O-N 3Å; N140-A143 PolarHBondContact O-N 2.92Å; A143-L145 PolarHBondContact O-N 3.38Å; A143-N146 PolarHBondContact O-N 3.01Å; A143-F147 WeakPolarHBondContact O-CD2 3.28Å; A143-F147 PolarHBondContact O-N 3.38Å |
| 144 | A | 60.5 | Low | 61.1 | Low | 60 Ų | 60 | 115.3 Ų | 115.3 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.1 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N140 H141 F147 D148 | N140-A144 WeakPolarHBondContact O-CB 3.33Å; N140-A144 PolarHBondContact O-N 2.99Å; H141-A144 PolarHBondContact O-N 3.48Å; A144-F147 PolarHBondContact O-N 3.04Å; A144-D148 PolarHBondContact O-N 3.32Å |
| 145 | L | 60.3 | Low | 61.2 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.4 | -43.3 | 175.5 | -84.5 | 159.8 | 0 | 0 | 0 | 112.9 | H141 I142 A143 D148 V149 | H141-L145 WeakPolarHBondContact ND1-CD1 3.29Å; H141-L145 PolarHBondContact O-N 3.49Å; I142-L145 PolarHBondContact O-N 3.46Å; A143-L145 PolarHBondContact O-N 3.38Å; L145-D148 PolarHBondContact O-N 3.49Å; L145-V149 VanDerWaalsContact O-CG2 3.28Å; L145-V149 WeakPolarHBondContact O-CG2 3.45Å; L145-V149 PolarHBondContact O-N 2.94Å |
| 146 | N | 63.2 | Low | 61.4 | Low | 97 Ų | 97 | 119.6 Ų | 119.6 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.9 | -36 | 178.8 | -84.1 | -32.5 | 0 | 0 | 0 | 112.7 | I142 A143 L150 | I142-N146 PolarHBondContact O-N 3.42Å; A143-N146 PolarHBondContact O-N 3.01Å; N146-L150 WeakPolarHBondContact O-CB 3.45Å; N146-L150 WeakPolarHBondContact O-CG 3.38Å; N146-L150 PolarHBondContact O-N 3.23Å; N146-L150 VanDerWaalsContact O-N 3.08Å |
| 147 | F | 59.4 | Low | 61 | Low | 145 Ų | 145 | 116.3 Ų | 116.3 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.8 | -38.3 | 174.1 | -94.3 | -85.5 | 0 | 0 | 0 | 111.7 | A143 A144 L150 L151 | A143-F147 WeakPolarHBondContact O-CD2 3.28Å; A143-F147 PolarHBondContact O-N 3.38Å; A144-F147 PolarHBondContact O-N 3.04Å; F147-L150 PolarHBondContact O-N 3.42Å; F147-L151 WeakPolarHBondContact O-CB 3.33Å; F147-L151 PolarHBondContact O-N 3.41Å |
| 148 | D | 61.5 | Low | 61 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 57% | 0.572 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.7 | -42.6 | 177.7 | -130.3 | 3.5 | 0 | 0 | 0 | 111.7 | A144 L145 L150 L151 V152 | A144-D148 PolarHBondContact O-N 3.32Å; L145-D148 PolarHBondContact O-N 3.49Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 3.35Å; D148-L151 PolarHBondContact O-N 3.08Å; D148-V152 WeakPolarHBondContact O-CG2 3.44Å; D148-V152 PolarHBondContact O-N 2.96Å |
| 149 | V | 58.8 | Low | 60.7 | Low | 95 Ų | 95 | 115.6 Ų | 115.6 | 58% | 0.576 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -36.5 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | L145 R153 | L145-V149 VanDerWaalsContact O-CG2 3.28Å; L145-V149 WeakPolarHBondContact O-CG2 3.45Å; L145-V149 PolarHBondContact O-N 2.94Å; V149-R153 PolarHBondContact O-N 2.66Å |
| 150 | L | 59.2 | Low | 60.6 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 60% | 0.602 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.6 | -32.1 | 175 | -81.3 | 163.6 | 0 | 0 | 0 | 113 | N146 F147 D148 R154 | N146-L150 WeakPolarHBondContact O-CB 3.45Å; N146-L150 WeakPolarHBondContact O-CG 3.38Å; N146-L150 PolarHBondContact O-N 3.23Å; N146-L150 VanDerWaalsContact O-N 3.08Å; F147-L150 PolarHBondContact O-N 3.42Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 3.35Å; L150-R154 PolarHBondContact O-N 3.24Å |
| 151 | L | 60.8 | Low | 60.1 | Low | 98 Ų | 98 | 114.2 Ų | 114.2 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.1 | -41.3 | 176.3 | -109.7 | 140.3 | 0 | 0 | 0 | 112 | F147 D148 R153 R154 N155 | F147-L151 WeakPolarHBondContact O-CB 3.33Å; F147-L151 PolarHBondContact O-N 3.41Å; D148-L151 PolarHBondContact O-N 3.08Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.45Å; L151-R154 PolarHBondContact O-N 2.94Å; L151-N155 PolarHBondContact O-N 3.47Å |
| 152 | V | 58 | Low | 59.5 | Low | 91 Ų | 91 | 113.8 Ų | 113.8 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63 | -37.4 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | D148 R154 N155 T156 | D148-V152 WeakPolarHBondContact O-CG2 3.44Å; D148-V152 PolarHBondContact O-N 2.96Å; V152-R154 VanDerWaalsContact C-N 3.32Å; V152-R154 PolarHBondContact O-N 3.31Å; V152-N155 PolarHBondContact O-N 3.22Å; V152-T156 PolarHBondContact O-N 3.42Å; V152-T156 PolarHBondContact O-OG1 3.19Å |
| 153 | R | 56.8 | Low | 59.1 | Low | 208 Ų | 208 | 116 Ų | 116 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.9 | -21.1 | 176.8 | -129 | -176.7 | -169.8 | -166.6 | 2.5 | 114.6 | V149 L151 | V149-R153 PolarHBondContact O-N 2.66Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.45Å |
| 154 | R | 59.1 | Low | 59.2 | Low | 213 Ų | 213 | 121.1 Ų | 121.1 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -88.7 | -21.9 | 177.3 | -113.2 | -172.7 | -177.8 | 178.4 | 1 | 113.7 | L150 L151 V152 | L150-R154 PolarHBondContact O-N 3.24Å; L151-R154 PolarHBondContact O-N 2.94Å; V152-R154 VanDerWaalsContact C-N 3.32Å; V152-R154 PolarHBondContact O-N 3.31Å |
| 155 | N | 63.3 | Low | 59.1 | Low | 134 Ų | 134 | 125.8 Ų | 125.8 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -95.8 | -1.1 | 178.1 | -77.9 | -10.1 | 0 | 0 | 0 | 113.5 | L151 V152 | L151-N155 PolarHBondContact O-N 3.47Å; V152-N155 PolarHBondContact O-N 3.22Å |
| 156 | T | 59.6 | Low | 59 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | trans | -116.8 | 3.1 | -178.6 | 42.5 | 0 | 0 | 0 | 0 | 114.7 | V152 | V152-T156 PolarHBondContact O-N 3.42Å; V152-T156 PolarHBondContact O-OG1 3.19Å | ||
| 157 | G | 48 | Very low | 58.6 | Low | 124 Ų | 124 | 131.5 Ų | 131.5 | 100% | 1.278 | 71% | 0.705 | S | S | * | * | trans | -125.4 | 0 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 157 of 157 residues in 160.5 ms
(Link to these results)