| 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 | 31.2 | Very low | 35.9 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 59% | 0.586 | 60% | 0.596 | S | S | * | * | 0 | 111.3 | 0 | -169.6 | 175.2 | -87.3 | 0 | 0 | 106.9 | W3 W93 | M1-W3 HydrophobicContact CG-CZ2 4.46Å; M1-W3 PolarHBondContact O-N 3.22Å; M1-W3 VanDerWaalsContact SD-CE2 3.59Å; M1-W3 HydrophobicContact SD-CH2 4.27Å; M1-W3 HydrophobicContact SD-CZ2 3.41Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.45Å; M1-W93 HydrophobicContact CB-CH2 4.31Å; M1-W93 HydrophobicContact CB-CZ2 4.23Å | |||
| 2 | L | 30.4 | Very low | 36.9 | Very low | 61 Ų | 61 | 118.7 Ų | 118.7 | 32% | 0.319 | 62% | 0.622 | S | S | . | * | trans | -76.5 | 108.6 | 177.6 | -64.9 | 172.2 | 0 | 0 | 0 | 107.3 | L20 I29 K30 | L2-L20 HydrophobicContact CD1-CD1 3.76Å; L2-I29 HydrophobicContact CD2-CG2 3.33Å; L2-K30 WeakPolarHBondContact CD2-O 3.25Å | ||
| 3 | W | 35.2 | Very low | 38.3 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 26% | 0.258 | 65% | 0.645 | S | S | . | * | trans | -94.2 | 114.5 | 173.5 | -65.9 | 86 | 0 | 0 | 0 | 108.2 | M1 K30 I167 F172 | M1-W3 HydrophobicContact CG-CZ2 4.46Å; M1-W3 PolarHBondContact O-N 3.22Å; M1-W3 VanDerWaalsContact SD-CE2 3.59Å; M1-W3 HydrophobicContact SD-CH2 4.27Å; M1-W3 HydrophobicContact SD-CZ2 3.41Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.45Å; W3-K30 HydrophobicContact CB-CD 4.14Å; W3-I167 HydrophobicContact CZ3-CD1 4.47Å; W3-F172 HydrophobicContact CH2-CE1 4.43Å; W3-F172 HydrophobicContact CH2-CZ 4.18Å; W3-F172 HydrophobicContact CZ2-CZ 4.32Å | ||
| 4 | T | 34.4 | Very low | 40.1 | Very low | 52 Ų | 52 | 120.4 Ų | 120.4 | 32% | 0.319 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -103.4 | 134.1 | 167.5 | 52 | 0 | 0 | 0 | 0 | 108.8 | G6 L19 | T4-G6 PolarHBondContact O-N 3.02Å; T4-L19 WeakPolarHBondContact OG1-CD1 3.35Å |
| 5 | N | 37.3 | Very low | 42.9 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 130.4 | -177.8 | -69.1 | -22 | 0 | 0 | 0 | 111.8 | ||
| 6 | G | 33.3 | Very low | 45.3 | Very low | 54 Ų | 54 | 109.9 Ų | 109.9 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T4 | T4-G6 PolarHBondContact O-N 3.02Š|
| 7 | R | 34.5 | Very low | 47.5 | Very low | 230 Ų | 230 | 109.6 Ų | 109.6 | 87% | 0.868 | 58% | 0.58 | S | S | * | * | trans | -113.8 | 138.1 | 144 | -73.3 | -171.9 | -174.2 | -172.5 | 2.3 | 107.4 | S9 | R7-S9 PolarHBondContact O-N 3.03Š| ||
| 8 | P | 38.9 | Very low | 49.8 | Very low | 135 Ų | 135 | 107.1 Ų | 107.1 | 88% | 0.877 | 57% | 0.567 | S | S | * | * | trans | -76.3 | 119.4 | 171.1 | 30.3 | -28.1 | 0 | 0 | 0 | 108.1 | ||||
| 9 | S | 36.8 | Very low | 51.8 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | trans | -148.1 | 120.9 | 161.3 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | R7 S11 | R7-S9 PolarHBondContact O-N 3.03Å; S9-S11 PolarHBondContact O-N 3.48Å | ||
| 10 | N | 40.7 | Very low | 53.6 | Low | 179 Ų | 179 | 100.3 Ų | 100.3 | 96% | 0.957 | 53% | 0.53 | S | S | * | . | trans | -49.6 | 98.8 | 165.9 | -86.7 | -16.2 | 0 | 0 | 0 | 111.3 | ||||
| 11 | S | 42.2 | Very low | 55.2 | Low | 82 Ų | 82 | 100.7 Ų | 100.7 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 179.7 | 146 | 154.9 | 50.5 | 0 | 0 | 0 | 0 | 106.8 | S9 E13 | S9-S11 PolarHBondContact O-N 3.48Å; S11-E13 PolarHBondContact O-N 2.95Å |
| 12 | R | 47.8 | Very low | 58.1 | Low | 239 Ų | 239 | 101.7 Ų | 101.7 | 90% | 0.902 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -19 | 115.4 | 179.4 | -69.7 | 175.7 | 178.6 | 170.6 | -1.3 | 112.7 | N14 | R12-N14 PolarHBondContact O-N 2.95Š|
| 13 | E | 55.6 | Low | 61 | Low | 197 Ų | 197 | 102.6 Ų | 102.6 | 92% | 0.921 | 54% | 0.538 | S | S | * | . | trans | -48.7 | 107.6 | -174.7 | -71.7 | -178.1 | 159.8 | 0 | 0 | 110.3 | S11 S15 | S11-E13 PolarHBondContact O-N 2.95Å; E13-S15 PolarHBondContact O-N 2.75Å | ||
| 14 | N | 63.3 | Low | 63.7 | Low | 65 Ų | 65 | 106.1 Ų | 106.1 | 35% | 0.348 | 56% | 0.561 | S | S | . | * | trans | -63.6 | 128.1 | 172.7 | -72.9 | -70.7 | 0 | 0 | 0 | 106.8 | R12 D18 L19 K22 | R12-N14 PolarHBondContact O-N 2.95Å; N14-D18 HydrophobicContact CB-CB 3.87Å; N14-L19 HydrophobicContact CB-CD2 4.08Å; N14-L19 HydrophobicContact CB-CG 4.19Å; N14-K22 PolarHBondContact OD1-NZ 3.13Å; N14-K22 VanDerWaalsContact OD1-NZ 3.12Å | ||
| 15 | S | 81.5 | Confident | 66.4 | Low | 52 Ų | 52 | 108.8 Ų | 108.8 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | trans | -60.5 | 160.8 | 174.3 | 70.5 | 0 | 0 | 0 | 0 | 110.2 | E13 L17 D18 L19 | E13-S15 PolarHBondContact O-N 2.75Å; S15-L17 PolarHBondContact O-N 3.12Å; S15-L17 VanDerWaalsContact O-N 3.08Å; S15-L17 PolarHBondContact OG-N 3.05Å; S15-D18 WeakPolarHBondContact CB-OD2 3.24Å; S15-D18 PolarHBondContact N-OD2 3.16Å; S15-D18 WeakPolarHBondContact O-CB 3.22Å; S15-D18 PolarHBondContact O-N 3.43Å; S15-D18 PolarHBondContact OG-N 3.29Å; S15-D18 PolarHBondContact OG-OD2 3.49Å; S15-L19 PolarHBondContact O-N 3Å; S15-L19 VanDerWaalsContact O-N 3.1Å | ||
| 16 | G | 81.1 | Confident | 69 | Low | 21 Ų | 21 | 109.6 Ų | 109.6 | 22% | 0.216 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -54.7 | -29.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L20 | G16-L20 VanDerWaalsContact O-CG 3.29Å; G16-L20 WeakPolarHBondContact O-CG 3.41Å; G16-L20 PolarHBondContact O-N 2.89Å; G16-L20 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 84.1 | Confident | 71.8 | Confident | 104 Ų | 104 | 113.2 Ų | 113.2 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.4 | -43 | 174.8 | -176.4 | 62.7 | 0 | 0 | 0 | 112.2 | S15 L19 L20 N21 | S15-L17 PolarHBondContact O-N 3.12Å; S15-L17 VanDerWaalsContact O-N 3.08Å; S15-L17 PolarHBondContact OG-N 3.05Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 PolarHBondContact O-N 3.12Å; L17-L20 PolarHBondContact O-N 3.12Å; L17-N21 PolarHBondContact O-N 2.87Å; L17-N21 PolarHBondContact O-ND2 3.48Å |
| 18 | D | 89 | Confident | 74.5 | Confident | 65 Ų | 65 | 109.6 Ų | 109.6 | 35% | 0.348 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.3 | -36.2 | 177.5 | -62.1 | -45.1 | 0 | 0 | 0 | 111.7 | N14 S15 K22 | N14-D18 HydrophobicContact CB-CB 3.87Å; S15-D18 WeakPolarHBondContact CB-OD2 3.24Å; S15-D18 PolarHBondContact N-OD2 3.16Å; S15-D18 WeakPolarHBondContact O-CB 3.22Å; S15-D18 PolarHBondContact O-N 3.43Å; S15-D18 PolarHBondContact OG-N 3.29Å; S15-D18 PolarHBondContact OG-OD2 3.49Å; D18-K22 WeakPolarHBondContact O-CG 3.46Å; D18-K22 PolarHBondContact O-N 3.41Å |
| 19 | L | 87.3 | Confident | 77.1 | Confident | 64 Ų | 64 | 106.7 Ų | 106.7 | 34% | 0.335 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -48.1 | 173.1 | -65.6 | 175 | 0 | 0 | 0 | 111 | T4 N14 S15 L17 N21 K22 M23 | T4-L19 WeakPolarHBondContact OG1-CD1 3.35Å; N14-L19 HydrophobicContact CB-CD2 4.08Å; N14-L19 HydrophobicContact CB-CG 4.19Å; S15-L19 PolarHBondContact O-N 3Å; S15-L19 VanDerWaalsContact O-N 3.1Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 PolarHBondContact O-N 3.12Å; L19-N21 VanDerWaalsContact C-N 3.26Å; L19-N21 PolarHBondContact O-N 3.14Å; L19-K22 PolarHBondContact O-N 2.81Å; L19-M23 WeakPolarHBondContact O-CG 3.39Å; L19-M23 PolarHBondContact O-N 3Å |
| 20 | L | 87.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 105.7 Ų | 105.7 | 7% | 0.068 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -61.6 | -31 | 178.5 | -74 | 176.5 | 0 | 0 | 0 | 113.8 | L2 G16 L17 K22 M23 R27 I29 | L2-L20 HydrophobicContact CD1-CD1 3.76Å; G16-L20 VanDerWaalsContact O-CG 3.29Å; G16-L20 WeakPolarHBondContact O-CG 3.41Å; G16-L20 PolarHBondContact O-N 2.89Å; G16-L20 VanDerWaalsContact O-N 3.09Å; L17-L20 PolarHBondContact O-N 3.12Å; L20-K22 VanDerWaalsContact C-N 3.28Å; L20-K22 PolarHBondContact O-N 2.9Å; L20-M23 HydrophobicContact CD2-SD 4.1Å; L20-R27 WeakPolarHBondContact O-CD 3.16Å; L20-R27 PolarHBondContact O-NH1 3Å; L20-I29 HydrophobicContact CD1-CD1 4.02Å; L20-I29 HydrophobicContact CD1-CG1 4.16Å; L20-I29 HydrophobicContact CD1-CG2 4.38Å; L20-I29 HydrophobicContact CD2-CD1 4.26Å; L20-I29 HydrophobicContact CD2-CG1 3.81Å |
| 21 | N | 87.8 | Confident | 82.4 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.6 | -23.5 | 175.7 | -75.2 | -22.4 | 0 | 0 | 0 | 113 | L17 L19 | L17-N21 PolarHBondContact O-N 2.87Å; L17-N21 PolarHBondContact O-ND2 3.48Å; L19-N21 VanDerWaalsContact C-N 3.26Å; L19-N21 PolarHBondContact O-N 3.14Å |
| 22 | K | 91.3 | Very high | 85 | Confident | 140 Ų | 140 | 99.6 Ų | 99.6 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -95.9 | -11.1 | 179 | -65 | 171.1 | -173 | 171.8 | 0 | 113.3 | N14 D18 L19 L20 | N14-K22 PolarHBondContact OD1-NZ 3.13Å; N14-K22 VanDerWaalsContact OD1-NZ 3.12Å; D18-K22 WeakPolarHBondContact O-CG 3.46Å; D18-K22 PolarHBondContact O-N 3.41Å; L19-K22 PolarHBondContact O-N 2.81Å; L20-K22 VanDerWaalsContact C-N 3.28Å; L20-K22 PolarHBondContact O-N 2.9Å |
| 23 | M | 90.6 | Very high | 87.3 | Confident | 81 Ų | 81 | 90.2 Ų | 90.2 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -83.5 | 133.3 | -178 | -73.8 | 175.6 | 76.4 | 0 | 0 | 112.1 | L19 L20 R27 | L19-M23 WeakPolarHBondContact O-CG 3.39Å; L19-M23 PolarHBondContact O-N 3Å; L20-M23 HydrophobicContact CD2-SD 4.1Å; M23-R27 HydrophobicContact CB-CG 4.01Å |
| 24 | N | 92.8 | Very high | 89.3 | Confident | 141 Ų | 141 | 81.4 Ų | 81.4 | 75% | 0.754 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 143.8 | 171.5 | -67.9 | -30.3 | 0 | 0 | 0 | 111.1 | ||
| 25 | P | 90.4 | Very high | 90.9 | Very high | 108 Ų | 108 | 79.5 Ų | 79.5 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -62.6 | 150.6 | 169.3 | -22 | 33.8 | 0 | 0 | 0 | 112.8 | ||
| 26 | P | 91.4 | Very high | 91.5 | Very high | 133 Ų | 133 | 83.3 Ų | 83.3 | 86% | 0.864 | 43% | 0.434 | S | S | * | . | S | Bend | cis | -74.1 | 137.8 | -5.8 | 30.8 | -34.2 | 0 | 0 | 0 | 112.2 | ||
| 27 | R | 93.3 | Very high | 92.3 | Very high | 129 Ų | 129 | 87.3 Ų | 87.3 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 126.7 | -179.3 | -66.5 | 175.2 | -70.4 | -172.8 | -2.4 | 110.3 | L20 M23 | L20-R27 WeakPolarHBondContact O-CD 3.16Å; L20-R27 PolarHBondContact O-NH1 3Å; M23-R27 HydrophobicContact CB-CG 4.01Å |
| 28 | L | 91.5 | Very high | 92.8 | Very high | 154 Ų | 154 | 82.9 Ų | 82.9 | 81% | 0.806 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 126.7 | 172.2 | -176.4 | 64.6 | 0 | 0 | 0 | 109.9 | ||
| 29 | I | 93.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 84 Ų | 84 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | trans | -124.1 | 121.9 | -175.4 | -54.1 | -179.8 | 0 | 0 | 0 | 108.8 | L2 L20 | L2-I29 HydrophobicContact CD2-CG2 3.33Å; L20-I29 HydrophobicContact CD1-CD1 4.02Å; L20-I29 HydrophobicContact CD1-CG1 4.16Å; L20-I29 HydrophobicContact CD1-CG2 4.38Å; L20-I29 HydrophobicContact CD2-CD1 4.26Å; L20-I29 HydrophobicContact CD2-CG1 3.81Å | ||
| 30 | K | 93.3 | Very high | 93.4 | Very high | 68 Ų | 68 | 87 Ų | 87 | 30% | 0.296 | 45% | 0.454 | S | S | . | . | trans | -94.5 | 127.5 | 170.6 | 177 | -165.6 | 169.2 | -164.1 | 0 | 109.3 | L2 W3 H32 Y164 | L2-K30 WeakPolarHBondContact CD2-O 3.25Å; W3-K30 HydrophobicContact CB-CD 4.14Å; K30-H32 VanDerWaalsContact CE-NE2 3.31Å; K30-H32 WeakPolarHBondContact CE-NE2 3.14Å; K30-Y164 PolarHBondContact NZ-OH 2.64Å | ||
| 31 | T | 94.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 87.8 Ų | 87.8 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | trans | -143 | 153.6 | 173.1 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | L33 | T31-L33 WeakPolarHBondContact OG1-CB 3.46Å; T31-L33 VanDerWaalsContact OG1-CG 3.28Å; T31-L33 WeakPolarHBondContact OG1-CG 3.49Å; T31-L33 PolarHBondContact OG1-N 2.63Å; T31-L33 VanDerWaalsContact OG1-N 3.13Å | ||
| 32 | H | 96.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 85.1 Ų | 85.1 | 39% | 0.394 | 45% | 0.448 | S | S | . | . | trans | -115.9 | 21.1 | 168.6 | -62.2 | -65.9 | 0 | 0 | 0 | 110.7 | K30 W93 H99 | K30-H32 VanDerWaalsContact CE-NE2 3.31Å; K30-H32 WeakPolarHBondContact CE-NE2 3.14Å; H32-W93 HydrophobicContact CB-CD2 3.9Å; H32-W93 HydrophobicContact CB-CG 4Å; H32-W93 HydrophobicContact CB-CZ2 4.47Å; H32-W93 VanDerWaalsContact O-CD2 3.29Å; H32-H99 PolarHBondContact O-NE2 3.18Å; H32-H99 VanDerWaalsContact O-NE2 3.15Å | ||
| 33 | L | 96.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 79.5 Ų | 79.5 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | trans | -69.5 | 135.8 | 178.1 | -72.5 | 172.2 | 0 | 0 | 0 | 110 | T31 L37 V38 W93 H99 Y103 | T31-L33 WeakPolarHBondContact OG1-CB 3.46Å; T31-L33 VanDerWaalsContact OG1-CG 3.28Å; T31-L33 WeakPolarHBondContact OG1-CG 3.49Å; T31-L33 PolarHBondContact OG1-N 2.63Å; T31-L33 VanDerWaalsContact OG1-N 3.13Å; L33-L37 HydrophobicContact CB-CB 4.31Å; L33-L37 HydrophobicContact CD2-CB 4.09Å; L33-L37 HydrophobicContact CD2-CD1 4.46Å; L33-V38 HydrophobicContact CB-CG2 4.16Å; L33-W93 HydrophobicContact CD2-CE3 4.15Å; L33-W93 HydrophobicContact CD2-CZ3 3.63Å; L33-W93 HydrophobicContact CG-CZ3 4.48Å; L33-H99 PolarHBondContact O-NE2 2.96Å; L33-Y103 WeakPolarHBondContact O-CE2 3.42Å; L33-Y103 PolarHBondContact O-OH 3.19Å | ||
| 34 | P | 96.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 82.4 Ų | 82.4 | 7% | 0.071 | 44% | 0.436 | C | S | . | . | trans | -51.9 | 150 | 162.3 | -24.6 | 32.3 | 0 | 0 | 0 | 110.9 | Q36 L37 V38 | P34-Q36 VanDerWaalsContact C-N 3.25Å; P34-Q36 VanDerWaalsContact CB-OE1 3.25Å; P34-Q36 PolarHBondContact O-N 3.15Å; P34-Q36 VanDerWaalsContact O-N 3.15Å; P34-L37 HydrophobicContact CG-CD1 4.28Å; P34-L37 PolarHBondContact O-N 3.14Å; P34-V38 PolarHBondContact O-N 3.37Å | ||
| 35 | F | 96.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 81.8 Ų | 81.8 | 11% | 0.11 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -50 | -46.1 | -174.1 | 175.1 | -90.1 | 0 | 0 | 0 | 112.8 | L37 V38 W43 Y103 E106 K110 I112 | F35-L37 PolarHBondContact O-N 3.32Å; F35-V38 WeakPolarHBondContact O-CB 3.47Å; F35-V38 PolarHBondContact O-N 2.9Å; F35-V38 VanDerWaalsContact O-N 3.14Å; F35-W43 AromaticContact CD2-CE2 3.93Å; F35-W43 AromaticContact CD2-CH2 3.86Å; F35-W43 HydrophobicContact CD2-CH2 3.86Å; F35-W43 AromaticContact CD2-CZ2 3.41Å; F35-W43 HydrophobicContact CD2-CZ2 3.41Å; F35-W43 VanDerWaalsContact CD2-CZ2 3.41Å; F35-W43 AromaticContact CE2-CD2 3.94Å; F35-W43 HydrophobicContact CE2-CD2 3.94Å; F35-W43 AromaticContact CE2-CE2 3.47Å; F35-W43 VanDerWaalsContact CE2-CE2 3.47Å; F35-W43 HydrophobicContact CE2-CE3 4.22Å; F35-W43 AromaticContact CE2-CH2 3.72Å; F35-W43 HydrophobicContact CE2-CH2 3.72Å; F35-W43 AromaticContact CE2-CZ2 3.36Å; F35-W43 HydrophobicContact CE2-CZ2 3.36Å; F35-W43 HydrophobicContact CE2-CZ3 4.12Å; F35-W43 AromaticContact CE2-NE1 3.96Å; F35-W43 HydrophobicContact CG-CZ2 4.33Å; F35-W43 HydrophobicContact CZ-CD2 4.25Å; F35-W43 AromaticContact CZ-CE2 3.92Å; F35-W43 HydrophobicContact CZ-CZ2 4.25Å; F35-W43 AromaticContact CZ-NE1 3.98Å; F35-Y103 HydrophobicContact CB-CD2 4.05Å; F35-Y103 HydrophobicContact CB-CE2 3.98Å; F35-Y103 HydrophobicContact CB-CG 4.41Å; F35-Y103 HydrophobicContact CD2-CD1 4.32Å; F35-Y103 HydrophobicContact CD2-CE1 4.34Å; F35-Y103 VanDerWaalsContact N-CE2 3.33Å; F35-E106 HydrophobicContact CD1-CB 4.48Å; F35-E106 HydrophobicContact CD1-CG 3.67Å; F35-E106 HydrophobicContact CD2-CB 3.83Å; F35-E106 HydrophobicContact CD2-CG 3.92Å; F35-E106 HydrophobicContact CE1-CB 4.16Å; F35-E106 VanDerWaalsContact CE1-CD 3.41Å; F35-E106 HydrophobicContact CE1-CG 3.4Å; F35-E106 HydrophobicContact CE2-CB 3.44Å; F35-E106 VanDerWaalsContact CE2-CB 3.44Å; F35-E106 HydrophobicContact CE2-CG 3.66Å; F35-E106 HydrophobicContact CG-CB 4.33Å; F35-E106 HydrophobicContact CG-CG 3.93Å; F35-E106 HydrophobicContact CZ-CB 3.63Å; F35-E106 VanDerWaalsContact CZ-CD 3.45Å; F35-E106 HydrophobicContact CZ-CG 3.39Å; F35-E106 VanDerWaalsContact CZ-OE2 3.22Å; F35-E106 WeakPolarHBondContact CZ-OE2 3.28Å; F35-K110 HydrophobicContact CE2-CG 4.05Å; F35-K110 HydrophobicContact CZ-CG 4.01Å; F35-I112 HydrophobicContact CD2-CD1 4.32Å; F35-I112 HydrophobicContact CE2-CD1 4.08Å |
| 36 | Q | 95.6 | Very high | 95 | Very high | 133 Ų | 133 | 84.3 Ų | 84.3 | 62% | 0.621 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -66.8 | -15.8 | -178.3 | 71.2 | -81.5 | 19.1 | 0 | 0 | 114.3 | P34 | P34-Q36 VanDerWaalsContact C-N 3.25Å; P34-Q36 VanDerWaalsContact CB-OE1 3.25Å; P34-Q36 PolarHBondContact O-N 3.15Å; P34-Q36 VanDerWaalsContact O-N 3.15Å |
| 37 | L | 96.6 | Very high | 95.3 | Very high | 105 Ų | 105 | 80.2 Ų | 80.2 | 55% | 0.55 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -100.3 | -7 | 177.7 | -59.6 | -172.2 | 0 | 0 | 0 | 112.8 | L33 P34 F35 | L33-L37 HydrophobicContact CB-CB 4.31Å; L33-L37 HydrophobicContact CD2-CB 4.09Å; L33-L37 HydrophobicContact CD2-CD1 4.46Å; P34-L37 HydrophobicContact CG-CD1 4.28Å; P34-L37 PolarHBondContact O-N 3.14Å; F35-L37 PolarHBondContact O-N 3.32Å |
| 38 | V | 95.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 78 Ų | 78 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -68 | 131.9 | 170.2 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | L33 P34 F35 L40 F42 W43 Y103 | L33-V38 HydrophobicContact CB-CG2 4.16Å; P34-V38 PolarHBondContact O-N 3.37Å; F35-V38 WeakPolarHBondContact O-CB 3.47Å; F35-V38 PolarHBondContact O-N 2.9Å; F35-V38 VanDerWaalsContact O-N 3.14Å; V38-L40 PolarHBondContact O-N 2.87Å; V38-F42 HydrophobicContact CG1-CB 3.92Å; V38-F42 HydrophobicContact CG1-CD1 3.95Å; V38-F42 HydrophobicContact CG1-CG 3.98Å; V38-W43 HydrophobicContact CB-CZ2 3.62Å; V38-W43 HydrophobicContact CG1-CH2 4.44Å; V38-W43 HydrophobicContact CG1-CZ2 3.6Å; V38-W43 HydrophobicContact CG2-CZ2 3.87Å; V38-Y103 WeakPolarHBondContact CG2-OH 3.47Å |
| 39 | P | 94.7 | Very high | 95.8 | Very high | 89 Ų | 89 | 71.4 Ų | 71.4 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | trans | -52.6 | 131.9 | -177.6 | -28.3 | 35.1 | 0 | 0 | 0 | 112.5 | G41 F42 | P39-G41 PolarHBondContact O-N 2.87Å; P39-G41 VanDerWaalsContact O-N 3.13Å; P39-F42 VanDerWaalsContact O-CB 3.22Å; P39-F42 WeakPolarHBondContact O-CB 3.25Å; P39-F42 PolarHBondContact O-N 3.25Å | ||
| 40 | L | 94.7 | Very high | 96.1 | Very high | 127 Ų | 127 | 71.3 Ų | 71.3 | 67% | 0.665 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -52.5 | -39.9 | -177.1 | -66.7 | 175.3 | 0 | 0 | 0 | 112.6 | V38 F42 W43 E44 | V38-L40 PolarHBondContact O-N 2.87Å; L40-F42 PolarHBondContact O-N 3.02Å; L40-F42 VanDerWaalsContact O-N 3.12Å; L40-W43 PolarHBondContact O-N 3.2Å; L40-E44 WeakPolarHBondContact O-CG 3.21Å; L40-E44 PolarHBondContact O-N 2.96Å |
| 41 | G | 94.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.9 | -27.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P39 N45 | P39-G41 PolarHBondContact O-N 2.87Å; P39-G41 VanDerWaalsContact O-N 3.13Å; G41-N45 VanDerWaalsContact O-CB 3.25Å; G41-N45 WeakPolarHBondContact O-CB 3.22Å; G41-N45 PolarHBondContact O-N 3.44Å; G41-N45 PolarHBondContact O-ND2 3.18Å |
| 42 | F | 95.6 | Very high | 96.5 | Very high | 53 Ų | 53 | 70.6 Ų | 70.6 | 23% | 0.232 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.8 | -178.5 | -86.7 | 0 | 0 | 0 | 111.1 | V38 P39 L40 C47 A49 | V38-F42 HydrophobicContact CG1-CB 3.92Å; V38-F42 HydrophobicContact CG1-CD1 3.95Å; V38-F42 HydrophobicContact CG1-CG 3.98Å; P39-F42 VanDerWaalsContact O-CB 3.22Å; P39-F42 WeakPolarHBondContact O-CB 3.25Å; P39-F42 PolarHBondContact O-N 3.25Å; L40-F42 PolarHBondContact O-N 3.02Å; L40-F42 VanDerWaalsContact O-N 3.12Å; F42-C47 HydrophobicContact CD1-CB 3.96Å; F42-C47 HydrophobicContact CD2-CB 3.58Å; F42-C47 HydrophobicContact CE1-CB 3.73Å; F42-C47 HydrophobicContact CE2-CB 3.36Å; F42-C47 HydrophobicContact CG-CB 3.88Å; F42-C47 HydrophobicContact CZ-CB 3.43Å; F42-C47 VanDerWaalsContact CZ-CB 3.43Å; F42-C47 WeakPolarHBondContact O-CB 3.44Å; F42-C47 PolarHBondContact O-N 2.91Å; F42-C47 VanDerWaalsContact O-N 3.12Å; F42-A49 HydrophobicContact CE1-CB 4.01Å; F42-A49 HydrophobicContact CZ-CB 4.09Å |
| 43 | W | 96.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.5 | -41.3 | 179.9 | -53.9 | 124.3 | 0 | 0 | 0 | 112 | F35 V38 L40 N45 K46 A49 Y103 K110 I112 | F35-W43 AromaticContact CD2-CE2 3.93Å; F35-W43 AromaticContact CD2-CH2 3.86Å; F35-W43 HydrophobicContact CD2-CH2 3.86Å; F35-W43 AromaticContact CD2-CZ2 3.41Å; F35-W43 HydrophobicContact CD2-CZ2 3.41Å; F35-W43 VanDerWaalsContact CD2-CZ2 3.41Å; F35-W43 AromaticContact CE2-CD2 3.94Å; F35-W43 HydrophobicContact CE2-CD2 3.94Å; F35-W43 AromaticContact CE2-CE2 3.47Å; F35-W43 VanDerWaalsContact CE2-CE2 3.47Å; F35-W43 HydrophobicContact CE2-CE3 4.22Å; F35-W43 AromaticContact CE2-CH2 3.72Å; F35-W43 HydrophobicContact CE2-CH2 3.72Å; F35-W43 AromaticContact CE2-CZ2 3.36Å; F35-W43 HydrophobicContact CE2-CZ2 3.36Å; F35-W43 HydrophobicContact CE2-CZ3 4.12Å; F35-W43 AromaticContact CE2-NE1 3.96Å; F35-W43 HydrophobicContact CG-CZ2 4.33Å; F35-W43 HydrophobicContact CZ-CD2 4.25Å; F35-W43 AromaticContact CZ-CE2 3.92Å; F35-W43 HydrophobicContact CZ-CZ2 4.25Å; F35-W43 AromaticContact CZ-NE1 3.98Å; V38-W43 HydrophobicContact CB-CZ2 3.62Å; V38-W43 HydrophobicContact CG1-CH2 4.44Å; V38-W43 HydrophobicContact CG1-CZ2 3.6Å; V38-W43 HydrophobicContact CG2-CZ2 3.87Å; L40-W43 PolarHBondContact O-N 3.2Å; W43-N45 VanDerWaalsContact C-N 3.33Å; W43-N45 PolarHBondContact O-N 2.95Å; W43-K46 PolarHBondContact O-N 2.97Å; W43-A49 HydrophobicContact CH2-CB 4.38Å; W43-A49 HydrophobicContact CZ3-CB 4.25Å; W43-Y103 HydrophobicContact CH2-CE1 4.19Å; W43-K110 HydrophobicContact CB-CD 4.43Å; W43-K110 HydrophobicContact CE3-CB 4.19Å; W43-K110 HydrophobicContact CE3-CG 4.32Å; W43-K110 HydrophobicContact CZ3-CB 4.38Å; W43-I112 HydrophobicContact CH2-CD1 4.09Å; W43-I112 HydrophobicContact CH2-CG1 4.36Å; W43-I112 HydrophobicContact CZ3-CD1 4.02Å; W43-I112 HydrophobicContact CZ3-CG1 3.97Å |
| 44 | E | 96.3 | Very high | 96.7 | Very high | 143 Ų | 143 | 66.2 Ų | 66.2 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.7 | -39.3 | 177.9 | -69.3 | 169.5 | 170.8 | 0 | 0 | 112 | L40 K46 | L40-E44 WeakPolarHBondContact O-CG 3.21Å; L40-E44 PolarHBondContact O-N 2.96Å; E44-K46 PolarHBondContact O-N 3.37Å |
| 45 | N | 95.8 | Very high | 96.7 | Very high | 127 Ų | 127 | 66 Ų | 66 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 9.4 | 175.1 | -71 | -65.3 | 0 | 0 | 0 | 113.5 | G41 W43 C47 | G41-N45 VanDerWaalsContact O-CB 3.25Å; G41-N45 WeakPolarHBondContact O-CB 3.22Å; G41-N45 PolarHBondContact O-N 3.44Å; G41-N45 PolarHBondContact O-ND2 3.18Å; W43-N45 VanDerWaalsContact C-N 3.33Å; W43-N45 PolarHBondContact O-N 2.95Å; N45-C47 PolarHBondContact O-N 2.72Å; N45-C47 VanDerWaalsContact O-N 3.12Å |
| 46 | K | 95.2 | Very high | 96.7 | Very high | 161 Ų | 161 | 65 Ų | 65 | 70% | 0.7 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.3 | 177 | -57 | -177.2 | 179.5 | -179 | 0 | 113.2 | W43 E44 N111 | W43-K46 PolarHBondContact O-N 2.97Å; E44-K46 PolarHBondContact O-N 3.37Å; K46-N111 PolarHBondContact O-ND2 3.11Å |
| 47 | C | 96.7 | Very high | 96.9 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | trans | -60 | 144 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | F42 N45 | F42-C47 HydrophobicContact CD1-CB 3.96Å; F42-C47 HydrophobicContact CD2-CB 3.58Å; F42-C47 HydrophobicContact CE1-CB 3.73Å; F42-C47 HydrophobicContact CE2-CB 3.36Å; F42-C47 HydrophobicContact CG-CB 3.88Å; F42-C47 HydrophobicContact CZ-CB 3.43Å; F42-C47 VanDerWaalsContact CZ-CB 3.43Å; F42-C47 WeakPolarHBondContact O-CB 3.44Å; F42-C47 PolarHBondContact O-N 2.91Å; F42-C47 VanDerWaalsContact O-N 3.12Å; N45-C47 PolarHBondContact O-N 2.72Å; N45-C47 VanDerWaalsContact O-N 3.12Å | ||
| 48 | K | 97.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | trans | -77.1 | 130.5 | 176.5 | -68.9 | -173.3 | -177.1 | -173.3 | 0 | 110.2 | Y134 L135 D136 | K48-Y134 VanDerWaalsContact CA-OH 3.25Å; K48-Y134 WeakPolarHBondContact CA-OH 3.21Å; K48-Y134 HydrophobicContact CB-CE1 3.83Å; K48-Y134 WeakPolarHBondContact CB-OH 3.29Å; K48-Y134 HydrophobicContact CD-CE1 4.21Å; K48-Y134 WeakPolarHBondContact CE-O 3.21Å; K48-Y134 HydrophobicContact CG-CE1 4.3Å; K48-Y134 PolarHBondContact NZ-O 3.5Å; K48-L135 HydrophobicContact CD-CD2 4.26Å; K48-D136 IonicContact NZ-OD2 2.83Å; K48-D136 PolarHBondContact NZ-OD2 3.19Å | ||
| 49 | A | 98.4 | Very high | 97.1 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F42 W43 N111 I112 L113 Y134 | F42-A49 HydrophobicContact CE1-CB 4.01Å; F42-A49 HydrophobicContact CZ-CB 4.09Å; W43-A49 HydrophobicContact CH2-CB 4.38Å; W43-A49 HydrophobicContact CZ3-CB 4.25Å; A49-N111 PolarHBondContact N-O 2.81Å; A49-I112 HydrophobicContact CB-CG1 4.23Å; A49-I112 CarbonylContact O-C 3.54Å; A49-I112 VanDerWaalsContact O-CA 3.32Å; A49-I112 WeakPolarHBondContact O-CA 3.36Å; A49-L113 PolarHBondContact O-N 2.83Å; A49-Y134 PolarHBondContact N-OH 3.05Å; A49-Y134 PolarHBondContact O-OH 2.94Å; A49-Y134 VanDerWaalsContact O-OH 3.05Å |
| 50 | I | 98.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 38% | 0.379 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 114.4 | 167.4 | -58.4 | 172.1 | 0 | 0 | 0 | 106.7 | V52 L113 L115 I131 Y134 | I50-V52 HydrophobicContact CG2-CG2 4.41Å; I50-L113 WeakPolarHBondContact CA-O 3.33Å; I50-L113 HydrophobicContact CG1-CB 4.35Å; I50-L113 HydrophobicContact CG1-CD2 4.32Å; I50-L113 HydrophobicContact CG2-CD2 4.4Å; I50-L115 HydrophobicContact CG2-CD1 3.68Å; I50-L115 HydrophobicContact CG2-CG 4.29Å; I50-I131 HydrophobicContact CD1-CG1 4.47Å; I50-I131 HydrophobicContact CD1-CG2 3.78Å; I50-Y134 HydrophobicContact CD1-CD1 4.38Å; I50-Y134 HydrophobicContact CG1-CD1 3.96Å; I50-Y134 HydrophobicContact CG1-CE1 3.77Å |
| 51 | Y | 98.7 | Very high | 97.4 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.7 | 177.4 | -175.8 | -95.3 | 0 | 0 | 0 | 109.6 | A53 H99 Y103 L113 Y114 L115 | Y51-A53 HydrophobicContact CD1-CB 4.37Å; Y51-A53 HydrophobicContact CE1-CB 3.86Å; Y51-H99 AromaticContact CE2-CE1 3.71Å; Y51-H99 AromaticContact CE2-ND1 3.68Å; Y51-H99 AromaticContact CZ-ND1 3.72Å; Y51-H99 PolarHBondContact OH-ND1 2.93Å; Y51-H99 PolarHBondContact OH-O 3Å; Y51-Y103 HydrophobicContact CD1-CG 4.31Å; Y51-Y103 AromaticContact CD2-CD1 3.38Å; Y51-Y103 HydrophobicContact CD2-CD1 3.38Å; Y51-Y103 AromaticContact CD2-CD2 3.59Å; Y51-Y103 HydrophobicContact CD2-CD2 3.59Å; Y51-Y103 AromaticContact CD2-CE1 3.73Å; Y51-Y103 HydrophobicContact CD2-CE1 3.73Å; Y51-Y103 AromaticContact CD2-CE2 3.92Å; Y51-Y103 HydrophobicContact CD2-CE2 3.92Å; Y51-Y103 AromaticContact CD2-CG 3.29Å; Y51-Y103 HydrophobicContact CD2-CG 3.29Å; Y51-Y103 AromaticContact CD2-CZ 3.98Å; Y51-Y103 HydrophobicContact CE1-CG 4.38Å; Y51-Y103 AromaticContact CE2-CD1 3.95Å; Y51-Y103 HydrophobicContact CE2-CD1 3.95Å; Y51-Y103 AromaticContact CE2-CD2 3.2Å; Y51-Y103 HydrophobicContact CE2-CD2 3.2Å; Y51-Y103 HydrophobicContact CE2-CE1 4.28Å; Y51-Y103 AromaticContact CE2-CE2 3.59Å; Y51-Y103 HydrophobicContact CE2-CE2 3.59Å; Y51-Y103 AromaticContact CE2-CG 3.4Å; Y51-Y103 HydrophobicContact CE2-CG 3.4Å; Y51-Y103 AromaticContact CG-CD1 3.83Å; Y51-Y103 HydrophobicContact CG-CD1 3.83Å; Y51-Y103 HydrophobicContact CG-CD2 4.44Å; Y51-Y103 AromaticContact CG-CG 3.78Å; Y51-Y103 HydrophobicContact CG-CG 3.78Å; Y51-Y103 AromaticContact CZ-CD2 3.79Å; Y51-Y103 AromaticContact CZ-CG 3.95Å; Y51-L113 PolarHBondContact N-O 3.38Å; Y51-Y114 HydrophobicContact CD1-CD1 4.47Å; Y51-Y114 AromaticContact CD1-CD2 3.52Å; Y51-Y114 HydrophobicContact CD1-CD2 3.52Å; Y51-Y114 HydrophobicContact CD1-CE1 4.25Å; Y51-Y114 AromaticContact CD1-CE2 3.23Å; Y51-Y114 HydrophobicContact CD1-CE2 3.23Å; Y51-Y114 HydrophobicContact CD1-CG 4.15Å; Y51-Y114 AromaticContact CD1-CZ 3.65Å; Y51-Y114 HydrophobicContact CE1-CD2 4.19Å; Y51-Y114 HydrophobicContact CE1-CE1 4.43Å; Y51-Y114 AromaticContact CE1-CE2 3.41Å; Y51-Y114 HydrophobicContact CE1-CE2 3.41Å; Y51-Y114 VanDerWaalsContact CE1-CE2 3.41Å; Y51-Y114 AromaticContact CE1-CZ 3.56Å; Y51-Y114 HydrophobicContact CG-CD2 4.31Å; Y51-Y114 HydrophobicContact CG-CE2 4.31Å; Y51-L115 PolarHBondContact O-N 3.1Å |
| 52 | V | 98.6 | Very high | 97.6 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.7 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | I50 L115 M120 | I50-V52 HydrophobicContact CG2-CG2 4.41Å; V52-L115 HydrophobicContact CG2-CB 4.4Å; V52-M120 HydrophobicContact CG1-SD 3.93Å; V52-M120 HydrophobicContact CG2-SD 4.33Å |
| 53 | A | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 155.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y51 V100 Y114 L115 F116 Y117 F215 | Y51-A53 HydrophobicContact CD1-CB 4.37Å; Y51-A53 HydrophobicContact CE1-CB 3.86Å; A53-V100 HydrophobicContact CB-CG1 4.42Å; A53-Y114 HydrophobicContact CB-CE1 3.45Å; A53-Y114 VanDerWaalsContact CB-CE1 3.45Å; A53-Y114 WeakPolarHBondContact CB-OH 3.28Å; A53-L115 PolarHBondContact N-O 2.92Å; A53-F116 HydrophobicContact CB-CD1 4.34Å; A53-F116 HydrophobicContact CB-CE1 4.45Å; A53-F116 CarbonylContact O-C 3.6Å; A53-F116 WeakPolarHBondContact O-CA 3.4Å; A53-Y117 PolarHBondContact O-N 3.24Å; A53-F215 HydrophobicContact CB-CE1 3.52Å; A53-F215 HydrophobicContact CB-CZ 3.77Å |
| 54 | R | 98.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | trans | -140.9 | 149.9 | 176 | -175.6 | 176.9 | -171.6 | -172.2 | 2 | 108.3 | D58 W96 Y117 E118 E184 | R54-D58 HydrophobicContact CG-CB 4.41Å; R54-W96 VanDerWaalsContact O-CZ2 3.29Å; R54-W96 WeakPolarHBondContact O-CZ2 3.08Å; R54-W96 PolarHBondContact O-NE1 3.46Å; R54-Y117 HydrophobicContact CB-CG 4.44Å; R54-Y117 HydrophobicContact CG-CD1 3.9Å; R54-Y117 HydrophobicContact CG-CG 4.04Å; R54-E118 WeakPolarHBondContact CG-OE1 3.41Å; R54-E184 PolarHBondContact NH2-O 2.88Å | ||
| 55 | N | 97.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | trans | -50.9 | 142.1 | 174.8 | 77.6 | 86.2 | 0 | 0 | 0 | 111.5 | K57 D58 N59 E118 R216 | N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.2Å; N55-D58 WeakPolarHBondContact ND2-CB 3.25Å; N55-D58 PolarHBondContact ND2-OD2 3.16Å; N55-D58 PolarHBondContact O-N 2.84Å; N55-D58 WeakPolarHBondContact OD1-CB 3.33Å; N55-D58 PolarHBondContact OD1-N 2.92Å; N55-N59 WeakPolarHBondContact O-CB 3.32Å; N55-N59 PolarHBondContact O-N 3.36Å; N55-E118 WeakPolarHBondContact CB-OE1 3.47Å; N55-E118 PolarHBondContact N-OE1 3.34Å; N55-E118 PolarHBondContact ND2-OE1 3.07Å; N55-R216 WeakPolarHBondContact CB-O 3.49Å | ||
| 56 | A | 97.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N59 L60 F86 W96 F200 Y204 | A56-N59 WeakPolarHBondContact O-CB 3.39Å; A56-N59 PolarHBondContact O-N 2.79Å; A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 PolarHBondContact O-N 2.72Å; A56-F86 HydrophobicContact CB-CE1 4.39Å; A56-W96 HydrophobicContact CB-CD2 3.76Å; A56-W96 HydrophobicContact CB-CE3 3.69Å; A56-W96 HydrophobicContact CB-CH2 3.73Å; A56-W96 HydrophobicContact CB-CZ2 3.73Å; A56-W96 HydrophobicContact CB-CZ3 3.69Å; A56-F200 HydrophobicContact CB-CE1 3.79Å; A56-F200 HydrophobicContact CB-CZ 3.64Å; A56-Y204 HydrophobicContact CB-CD2 4.21Å; A56-Y204 HydrophobicContact CB-CE2 4.13Å |
| 57 | K | 98.1 | Very high | 98 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -47 | -177.4 | -66.3 | -176.6 | 173.1 | 175.2 | 0 | 112 | N55 N59 L60 V61 W188 F192 S197 F200 D201 | N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.2Å; K57-N59 VanDerWaalsContact C-N 3.3Å; K57-N59 PolarHBondContact O-N 3.46Å; K57-L60 PolarHBondContact O-N 3.36Å; K57-V61 WeakPolarHBondContact O-CG2 3.25Å; K57-V61 PolarHBondContact O-N 3.46Å; K57-V61 VanDerWaalsContact O-N 3.07Å; K57-W188 HydrophobicContact CB-CB 3.66Å; K57-W188 HydrophobicContact CB-CD2 3.8Å; K57-W188 HydrophobicContact CB-CE3 4.29Å; K57-W188 HydrophobicContact CB-CG 3.51Å; K57-W188 HydrophobicContact CD-CD2 3.72Å; K57-W188 HydrophobicContact CD-CE3 3.59Å; K57-W188 HydrophobicContact CD-CG 4.37Å; K57-W188 HydrophobicContact CD-CH2 4.03Å; K57-W188 HydrophobicContact CD-CZ2 4.15Å; K57-W188 HydrophobicContact CD-CZ3 3.76Å; K57-W188 HydrophobicContact CG-CD2 4.4Å; K57-F192 HydrophobicContact CB-CE2 4.32Å; K57-F192 HydrophobicContact CB-CZ 4.31Å; K57-F192 HydrophobicContact CG-CE1 4.49Å; K57-F192 HydrophobicContact CG-CZ 4.24Å; K57-S197 PolarHBondContact NZ-O 2.8Å; K57-S197 PolarHBondContact NZ-OG 2.99Å; K57-F200 HydrophobicContact CD-CD1 4.22Å; K57-F200 VanDerWaalsContact CE-CD1 3.42Å; K57-F200 HydrophobicContact CG-CD1 3.71Å; K57-F200 HydrophobicContact CG-CE1 3.75Å; K57-F200 HydrophobicContact CG-CG 4.3Å; K57-F200 HydrophobicContact CG-CZ 4.37Å; K57-D201 WeakPolarHBondContact CE-OD1 3.32Å; K57-D201 IonicContact NZ-OD1 2.71Å; K57-D201 PolarHBondContact NZ-OD1 3.39Å; K57-D201 IonicContact NZ-OD2 3.71Å; K57-D201 PolarHBondContact NZ-OD2 3.18Å |
| 58 | D | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.6 | -34.2 | 173.5 | -80.8 | -35.3 | 0 | 0 | 0 | 112.3 | R54 N55 S62 G186 D187 W188 | R54-D58 HydrophobicContact CG-CB 4.41Å; N55-D58 WeakPolarHBondContact ND2-CB 3.25Å; N55-D58 PolarHBondContact ND2-OD2 3.16Å; N55-D58 PolarHBondContact O-N 2.84Å; N55-D58 WeakPolarHBondContact OD1-CB 3.33Å; N55-D58 PolarHBondContact OD1-N 2.92Å; D58-S62 VanDerWaalsContact O-CB 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.49Å; D58-S62 PolarHBondContact O-N 3.07Å; D58-G186 PolarHBondContact OD1-N 3.19Å; D58-G186 PolarHBondContact OD2-N 3.46Å; D58-D187 PolarHBondContact OD1-N 3.43Å; D58-W188 PolarHBondContact OD1-N 3.24Å |
| 59 | N | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 27.2 Ų | 27.2 | 25% | 0.251 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.4 | -171.5 | -88.6 | 0 | 0 | 0 | 110.7 | N55 A56 K57 V61 S62 Y63 | N55-N59 WeakPolarHBondContact O-CB 3.32Å; N55-N59 PolarHBondContact O-N 3.36Å; A56-N59 WeakPolarHBondContact O-CB 3.39Å; A56-N59 PolarHBondContact O-N 2.79Å; K57-N59 VanDerWaalsContact C-N 3.3Å; K57-N59 PolarHBondContact O-N 3.46Å; N59-V61 PolarHBondContact O-N 3.06Å; N59-S62 WeakPolarHBondContact O-CB 3.47Å; N59-S62 PolarHBondContact O-N 2.9Å; N59-Y63 WeakPolarHBondContact O-CB 3.41Å; N59-Y63 PolarHBondContact O-N 3.25Å |
| 60 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.4 | -50.7 | 176.5 | -177.6 | 166.7 | 0 | 0 | 0 | 111.6 | A56 K57 S62 Y63 Y64 F79 Y82 I83 F86 F192 F200 | A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 PolarHBondContact O-N 2.72Å; K57-L60 PolarHBondContact O-N 3.36Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.48Å; L60-Y63 PolarHBondContact O-N 3.3Å; L60-Y64 PolarHBondContact O-N 3.2Å; L60-F79 HydrophobicContact CD2-CE2 3.55Å; L60-F79 HydrophobicContact CD2-CZ 3.79Å; L60-Y82 HydrophobicContact CD2-CD1 4.16Å; L60-Y82 HydrophobicContact CG-CD1 4.46Å; L60-I83 HydrophobicContact CD1-CB 4.39Å; L60-I83 HydrophobicContact CD1-CG1 4.18Å; L60-I83 HydrophobicContact CD1-CG2 4.33Å; L60-I83 HydrophobicContact CD2-CG1 4.08Å; L60-F86 HydrophobicContact CB-CD1 4.26Å; L60-F86 HydrophobicContact CB-CD2 3.73Å; L60-F86 HydrophobicContact CB-CE1 4.28Å; L60-F86 HydrophobicContact CB-CE2 3.77Å; L60-F86 HydrophobicContact CB-CG 3.99Å; L60-F86 HydrophobicContact CB-CZ 4.04Å; L60-F86 HydrophobicContact CD1-CB 3.72Å; L60-F86 HydrophobicContact CD1-CD1 3.73Å; L60-F86 HydrophobicContact CD1-CD2 4.21Å; L60-F86 HydrophobicContact CD1-CE1 4.38Å; L60-F86 HydrophobicContact CD1-CG 3.63Å; L60-F86 HydrophobicContact CG-CB 3.92Å; L60-F86 HydrophobicContact CG-CD1 4.23Å; L60-F86 HydrophobicContact CG-CD2 3.79Å; L60-F86 HydrophobicContact CG-CE2 4.36Å; L60-F86 HydrophobicContact CG-CG 3.72Å; L60-F192 HydrophobicContact CD1-CZ 3.96Å; L60-F192 HydrophobicContact CD2-CE2 4.3Å; L60-F192 HydrophobicContact CD2-CZ 4.14Å; L60-F200 HydrophobicContact CD1-CD2 4.17Å; L60-F200 HydrophobicContact CD1-CE2 3.64Å |
| 61 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | K57 N59 Y63 Y64 Y65 F79 W188 H191 F192 | K57-V61 WeakPolarHBondContact O-CG2 3.25Å; K57-V61 PolarHBondContact O-N 3.46Å; K57-V61 VanDerWaalsContact O-N 3.07Å; N59-V61 PolarHBondContact O-N 3.06Å; V61-Y63 VanDerWaalsContact C-N 3.26Å; V61-Y63 PolarHBondContact O-N 3.38Å; V61-Y64 PolarHBondContact O-N 3.32Å; V61-Y65 HydrophobicContact CG1-CD2 3.91Å; V61-Y65 HydrophobicContact CG1-CE2 3.85Å; V61-Y65 VanDerWaalsContact O-CD2 3.27Å; V61-Y65 WeakPolarHBondContact O-CD2 3.38Å; V61-Y65 PolarHBondContact O-N 3.02Å; V61-F79 HydrophobicContact CG2-CE2 4.13Å; V61-F79 HydrophobicContact CG2-CZ 3.89Å; V61-W188 HydrophobicContact CG2-CB 4.05Å; V61-H191 VanDerWaalsContact CG1-CD2 3.42Å; V61-H191 WeakPolarHBondContact CG1-CD2 3.34Å; V61-H191 HydrophobicContact CG2-CB 4.04Å; V61-F192 HydrophobicContact CG2-CD2 4.27Å; V61-F192 HydrophobicContact CG2-CE2 3.8Å |
| 62 | S | 98.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 29.1 Ų | 29.1 | 32% | 0.315 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.2 | -37.7 | 178.7 | -163.8 | 0 | 0 | 0 | 0 | 112.3 | D58 N59 L60 F66 | D58-S62 VanDerWaalsContact O-CB 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.49Å; D58-S62 PolarHBondContact O-N 3.07Å; N59-S62 WeakPolarHBondContact O-CB 3.47Å; N59-S62 PolarHBondContact O-N 2.9Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.48Å; S62-F66 WeakPolarHBondContact O-CB 3.49Å; S62-F66 PolarHBondContact O-N 3.45Å; S62-F66 VanDerWaalsContact O-N 3.11Å |
| 63 | Y | 98 | Very high | 96.5 | Very high | 39 Ų | 39 | 28.3 Ų | 28.3 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.4 | -46.1 | 178.7 | -149.8 | 152.9 | 0 | 0 | 0 | 110.7 | N59 L60 V61 Y65 F66 D67 Y82 L91 P92 | N59-Y63 WeakPolarHBondContact O-CB 3.41Å; N59-Y63 PolarHBondContact O-N 3.25Å; L60-Y63 PolarHBondContact O-N 3.3Å; V61-Y63 VanDerWaalsContact C-N 3.26Å; V61-Y63 PolarHBondContact O-N 3.38Å; Y63-Y65 VanDerWaalsContact C-N 3.32Å; Y63-Y65 PolarHBondContact O-N 3.34Å; Y63-F66 HydrophobicContact CD2-CD1 4.32Å; Y63-F66 HydrophobicContact CE2-CD1 4.25Å; Y63-F66 CarbonylContact O-C 3.46Å; Y63-F66 WeakPolarHBondContact O-CA 3.38Å; Y63-F66 WeakPolarHBondContact O-CB 3.47Å; Y63-F66 PolarHBondContact O-N 3.48Å; Y63-D67 WeakPolarHBondContact CE2-OD1 3.28Å; Y63-D67 PolarHBondContact O-N 2.67Å; Y63-Y82 WeakPolarHBondContact CB-OH 3.29Å; Y63-Y82 WeakPolarHBondContact CD2-OH 3.2Å; Y63-Y82 VanDerWaalsContact CG-OH 3.31Å; Y63-L91 HydrophobicContact CD1-CD1 4.31Å; Y63-L91 HydrophobicContact CE1-CB 4.42Å; Y63-P92 VanDerWaalsContact OH-CB 3.28Å; Y63-P92 WeakPolarHBondContact OH-CB 3.36Å; Y63-P92 WeakPolarHBondContact OH-CD 3.41Å; Y63-P92 WeakPolarHBondContact OH-CG 3.42Å; Y63-P92 PolarHBondContact OH-O 3.38Å |
| 64 | Y | 98.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 13% | 0.125 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52.5 | -48.7 | 176.6 | 177.6 | -106.3 | 0 | 0 | 0 | 112.6 | L60 V61 F66 D67 L68 P76 G77 F79 Y82 | L60-Y64 PolarHBondContact O-N 3.2Å; V61-Y64 PolarHBondContact O-N 3.32Å; Y64-F66 VanDerWaalsContact C-N 3.33Å; Y64-F66 PolarHBondContact O-N 3.15Å; Y64-D67 PolarHBondContact O-N 3.46Å; Y64-L68 HydrophobicContact CD1-CD1 4.04Å; Y64-L68 HydrophobicContact CE1-CD1 3.59Å; Y64-L68 HydrophobicContact CE1-CG 4.28Å; Y64-L68 WeakPolarHBondContact O-CG 3.43Å; Y64-L68 PolarHBondContact O-N 3Å; Y64-P76 HydrophobicContact CD2-CB 3.95Å; Y64-P76 HydrophobicContact CD2-CG 4.4Å; Y64-P76 HydrophobicContact CE2-CB 3.96Å; Y64-P76 HydrophobicContact CE2-CG 4.17Å; Y64-G77 VanDerWaalsContact CE2-O 3.3Å; Y64-G77 WeakPolarHBondContact CE2-O 3.27Å; Y64-G77 PolarHBondContact OH-O 2.95Å; Y64-F79 AromaticContact CD1-CD2 3.73Å; Y64-F79 HydrophobicContact CD1-CD2 3.73Å; Y64-F79 HydrophobicContact CD1-CE2 4.37Å; Y64-F79 HydrophobicContact CD2-CD2 4.03Å; Y64-F79 HydrophobicContact CE1-CB 4.27Å; Y64-F79 HydrophobicContact CE1-CD2 4.04Å; Y64-F79 HydrophobicContact CE2-CB 4.24Å; Y64-F79 HydrophobicContact CE2-CD2 4.31Å; Y64-F79 AromaticContact CG-CD2 3.72Å; Y64-F79 HydrophobicContact CG-CD2 3.72Å; Y64-F79 HydrophobicContact CG-CE2 4.28Å; Y64-Y82 AromaticContact CD2-CD1 3.88Å; Y64-Y82 HydrophobicContact CD2-CD1 3.88Å; Y64-Y82 AromaticContact CD2-CD2 3.8Å; Y64-Y82 HydrophobicContact CD2-CD2 3.8Å; Y64-Y82 HydrophobicContact CD2-CE1 4.38Å; Y64-Y82 HydrophobicContact CD2-CE2 4.31Å; Y64-Y82 AromaticContact CD2-CG 3.55Å; Y64-Y82 HydrophobicContact CD2-CG 3.55Å; Y64-Y82 HydrophobicContact CE2-CD2 4.5Å; Y64-Y82 HydrophobicContact CE2-CG 4.34Å; Y64-Y82 HydrophobicContact CG-CD1 4.33Å; Y64-Y82 HydrophobicContact CG-CG 4.43Å; Y64-Y82 PolarHBondContact N-OH 3.25Å |
| 65 | Y | 98.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 24% | 0.239 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.3 | -29.3 | 177.4 | -78.7 | -73.9 | 0 | 0 | 0 | 113.7 | V61 Y63 L68 M69 S177 H191 | V61-Y65 HydrophobicContact CG1-CD2 3.91Å; V61-Y65 HydrophobicContact CG1-CE2 3.85Å; V61-Y65 VanDerWaalsContact O-CD2 3.27Å; V61-Y65 WeakPolarHBondContact O-CD2 3.38Å; V61-Y65 PolarHBondContact O-N 3.02Å; Y63-Y65 VanDerWaalsContact C-N 3.32Å; Y63-Y65 PolarHBondContact O-N 3.34Å; Y65-L68 HydrophobicContact CD1-CD1 3.9Å; Y65-L68 HydrophobicContact CE1-CD1 4.22Å; Y65-M69 WeakPolarHBondContact O-CG 3.34Å; Y65-M69 PolarHBondContact O-N 2.89Å; Y65-S177 WeakPolarHBondContact O-CB 3.45Å; Y65-H191 AromaticContact CE2-CE1 3.44Å; Y65-H191 VanDerWaalsContact CE2-CE1 3.44Å; Y65-H191 WeakPolarHBondContact CE2-CE1 3.29Å; Y65-H191 AromaticContact CE2-ND1 3.81Å; Y65-H191 AromaticContact CZ-CE1 3.74Å; Y65-H191 PolarHBondContact OH-CE1 3.33Å; Y65-H191 PolarHBondContact OH-ND1 2.84Å |
| 66 | F | 97.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 172.4 | 178.3 | -106.2 | 0 | 0 | 0 | 111.5 | S62 Y63 Y64 L68 M69 N70 F172 F179 | S62-F66 WeakPolarHBondContact O-CB 3.49Å; S62-F66 PolarHBondContact O-N 3.45Å; S62-F66 VanDerWaalsContact O-N 3.11Å; Y63-F66 HydrophobicContact CD2-CD1 4.32Å; Y63-F66 HydrophobicContact CE2-CD1 4.25Å; Y63-F66 CarbonylContact O-C 3.46Å; Y63-F66 WeakPolarHBondContact O-CA 3.38Å; Y63-F66 WeakPolarHBondContact O-CB 3.47Å; Y63-F66 PolarHBondContact O-N 3.48Å; Y64-F66 VanDerWaalsContact C-N 3.33Å; Y64-F66 PolarHBondContact O-N 3.15Å; F66-L68 VanDerWaalsContact C-N 3.34Å; F66-L68 PolarHBondContact O-N 3.49Å; F66-M69 HydrophobicContact CD2-SD 3.99Å; F66-M69 HydrophobicContact CE2-SD 4.16Å; F66-M69 VanDerWaalsContact O-CG 3.29Å; F66-M69 WeakPolarHBondContact O-CG 3.5Å; F66-M69 PolarHBondContact O-N 3.09Å; F66-N70 HydrophobicContact CD1-CB 4.47Å; F66-N70 HydrophobicContact CE1-CB 4.2Å; F66-N70 WeakPolarHBondContact CE1-ND2 3.43Å; F66-N70 HydrophobicContact CE2-CB 4.38Å; F66-N70 HydrophobicContact CZ-CB 4.15Å; F66-N70 WeakPolarHBondContact CZ-ND2 3.33Å; F66-N70 WeakPolarHBondContact O-CB 3.26Å; F66-N70 PolarHBondContact O-N 3.37Å; F66-F172 HydrophobicContact CE2-CE1 4.06Å; F66-F172 HydrophobicContact CE2-CE2 4.14Å; F66-F172 AromaticContact CE2-CZ 3.69Å; F66-F172 HydrophobicContact CE2-CZ 3.69Å; F66-F172 HydrophobicContact CZ-CE1 4.01Å; F66-F172 AromaticContact CZ-CZ 3.77Å; F66-F172 HydrophobicContact CZ-CZ 3.77Å; F66-F179 HydrophobicContact CD2-CD2 4.28Å; F66-F179 HydrophobicContact CD2-CE2 4.38Å; F66-F179 HydrophobicContact CE2-CD2 4.14Å; F66-F179 HydrophobicContact CE2-CE2 4.08Å |
| 67 | D | 96.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.2 | -30.9 | 177.7 | -72 | -13.8 | 0 | 0 | 0 | 112.2 | Y63 Y64 M69 P76 Y82 | Y63-D67 WeakPolarHBondContact CE2-OD1 3.28Å; Y63-D67 PolarHBondContact O-N 2.67Å; Y64-D67 PolarHBondContact O-N 3.46Å; D67-M69 VanDerWaalsContact C-N 3.31Å; D67-M69 PolarHBondContact O-N 3.49Å; D67-P76 HydrophobicContact CB-CB 3.94Å; D67-P76 HydrophobicContact CB-CG 4.06Å; D67-Y82 HydrophobicContact CB-CE2 4.46Å; D67-Y82 VanDerWaalsContact OD2-CE2 3.31Å; D67-Y82 WeakPolarHBondContact OD2-CE2 3.35Å; D67-Y82 PolarHBondContact OD2-OH 2.9Å |
| 68 | L | 96.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 173.2 | -75.6 | 175.3 | 0 | 0 | 0 | 112.6 | Y64 Y65 F66 K71 P76 I176 | Y64-L68 HydrophobicContact CD1-CD1 4.04Å; Y64-L68 HydrophobicContact CE1-CD1 3.59Å; Y64-L68 HydrophobicContact CE1-CG 4.28Å; Y64-L68 WeakPolarHBondContact O-CG 3.43Å; Y64-L68 PolarHBondContact O-N 3Å; Y65-L68 HydrophobicContact CD1-CD1 3.9Å; Y65-L68 HydrophobicContact CE1-CD1 4.22Å; F66-L68 VanDerWaalsContact C-N 3.34Å; F66-L68 PolarHBondContact O-N 3.49Å; L68-K71 PolarHBondContact O-NZ 3.21Å; L68-P76 HydrophobicContact CD2-CG 3.54Å; L68-P76 HydrophobicContact CG-CG 3.84Å; L68-I176 HydrophobicContact CB-CG2 3.89Å |
| 69 | M | 96 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -89.6 | -24.5 | -178.4 | 69.3 | 80.6 | 65.6 | 0 | 0 | 113.3 | Y65 F66 D67 K71 F172 D173 Q174 S177 | Y65-M69 WeakPolarHBondContact O-CG 3.34Å; Y65-M69 PolarHBondContact O-N 2.89Å; F66-M69 HydrophobicContact CD2-SD 3.99Å; F66-M69 HydrophobicContact CE2-SD 4.16Å; F66-M69 VanDerWaalsContact O-CG 3.29Å; F66-M69 WeakPolarHBondContact O-CG 3.5Å; F66-M69 PolarHBondContact O-N 3.09Å; D67-M69 VanDerWaalsContact C-N 3.31Å; D67-M69 PolarHBondContact O-N 3.49Å; M69-K71 PolarHBondContact O-N 3.41Å; M69-F172 HydrophobicContact CE-CB 3.47Å; M69-F172 VanDerWaalsContact CE-CB 3.47Å; M69-F172 HydrophobicContact CE-CD1 4.42Å; M69-F172 HydrophobicContact CE-CD2 4.02Å; M69-F172 HydrophobicContact CE-CG 3.73Å; M69-F172 CarbonylContact O-C 3.58Å; M69-F172 HydrophobicContact SD-CB 4.13Å; M69-F172 HydrophobicContact SD-CD1 3.99Å; M69-F172 HydrophobicContact SD-CD2 4.3Å; M69-F172 HydrophobicContact SD-CG 3.87Å; M69-D173 VanDerWaalsContact CB-O 3.3Å; M69-D173 WeakPolarHBondContact CB-O 3.34Å; M69-D173 PolarHBondContact O-N 3.37Å; M69-Q174 HydrophobicContact CE-CB 4.45Å; M69-Q174 HydrophobicContact CE-CG 3.66Å; M69-S177 WeakPolarHBondContact CB-O 3.36Å; M69-S177 WeakPolarHBondContact CG-O 3.47Å |
| 70 | N | 95.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -88.7 | 98.7 | -176.5 | -176.9 | -1 | 0 | 0 | 0 | 112.1 | F66 T72 Q73 F172 | F66-N70 HydrophobicContact CD1-CB 4.47Å; F66-N70 HydrophobicContact CE1-CB 4.2Å; F66-N70 WeakPolarHBondContact CE1-ND2 3.43Å; F66-N70 HydrophobicContact CE2-CB 4.38Å; F66-N70 HydrophobicContact CZ-CB 4.15Å; F66-N70 WeakPolarHBondContact CZ-ND2 3.33Å; F66-N70 WeakPolarHBondContact O-CB 3.26Å; F66-N70 PolarHBondContact O-N 3.37Å; N70-T72 PolarHBondContact O-N 3.33Å; N70-T72 VanDerWaalsContact O-N 3.13Å; N70-T72 WeakPolarHBondContact OD1-CB 3.4Å; N70-T72 PolarHBondContact OD1-N 2.9Å; N70-T72 VanDerWaalsContact OD1-N 3.07Å; N70-T72 PolarHBondContact OD1-OG1 3.26Å; N70-Q73 PolarHBondContact O-N 2.84Å; N70-Q73 VanDerWaalsContact O-N 3.17Å; N70-F172 HydrophobicContact CB-CD1 4.07Å; N70-F172 HydrophobicContact CB-CE1 4.01Å; N70-F172 VanDerWaalsContact CG-CE1 3.45Å; N70-F172 WeakPolarHBondContact OD1-CE1 3.43Å |
| 71 | K | 92.9 | Very high | 95.3 | Very high | 80 Ų | 80 | 47.8 Ų | 47.8 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -0.4 | -177.8 | -59 | -56 | -179.9 | -162.6 | 0 | 114.8 | L68 M69 E75 P170 V171 | L68-K71 PolarHBondContact O-NZ 3.21Å; M69-K71 PolarHBondContact O-N 3.41Å; K71-E75 IonicContact NZ-OE1 2.91Å; K71-E75 PolarHBondContact NZ-OE1 2.82Å; K71-P170 WeakPolarHBondContact CB-O 3.21Å; K71-V171 PolarHBondContact N-O 3.27Å |
| 72 | T | 90.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -8.9 | 171.1 | 70 | 0 | 0 | 0 | 0 | 113.4 | N70 V171 | N70-T72 PolarHBondContact O-N 3.33Å; N70-T72 VanDerWaalsContact O-N 3.13Å; N70-T72 WeakPolarHBondContact OD1-CB 3.4Å; N70-T72 PolarHBondContact OD1-N 2.9Å; N70-T72 VanDerWaalsContact OD1-N 3.07Å; N70-T72 PolarHBondContact OD1-OG1 3.26Å; T72-V171 HydrophobicContact CG2-CB 4.41Å; T72-V171 HydrophobicContact CG2-CG1 3.8Å |
| 73 | Q | 85.2 | Confident | 95.3 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -103.2 | 157.8 | 176.8 | -63.1 | -58.4 | -40.3 | 0 | 0 | 110.8 | N70 P92 | N70-Q73 PolarHBondContact O-N 2.84Å; N70-Q73 VanDerWaalsContact O-N 3.17Å; Q73-P92 VanDerWaalsContact OE1-CG 3.29Å |
| 74 | P | 89.5 | Confident | 95.3 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 69% | 0.688 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -57 | 142.2 | 167.4 | -21.5 | 33.4 | 0 | 0 | 0 | 110.8 | ||
| 75 | E | 91.9 | Very high | 95.3 | Very high | 119 Ų | 119 | 48.5 Ų | 48.5 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 130.9 | 175.7 | -74.1 | -73.2 | 150.3 | 0 | 0 | 110.3 | K71 G77 | K71-E75 IonicContact NZ-OE1 2.91Å; K71-E75 PolarHBondContact NZ-OE1 2.82Å; E75-G77 PolarHBondContact O-N 2.86Å |
| 76 | P | 94.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -66.6 | -27.5 | -169.5 | 23.2 | -32.6 | 0 | 0 | 0 | 112.9 | Y64 D67 L68 Y82 K85 | Y64-P76 HydrophobicContact CD2-CB 3.95Å; Y64-P76 HydrophobicContact CD2-CG 4.4Å; Y64-P76 HydrophobicContact CE2-CB 3.96Å; Y64-P76 HydrophobicContact CE2-CG 4.17Å; D67-P76 HydrophobicContact CB-CB 3.94Å; D67-P76 HydrophobicContact CB-CG 4.06Å; L68-P76 HydrophobicContact CD2-CG 3.54Å; L68-P76 HydrophobicContact CG-CG 3.84Å; P76-Y82 HydrophobicContact CB-CD2 3.54Å; P76-Y82 HydrophobicContact CB-CE2 3.63Å; P76-K85 PolarHBondContact O-NZ 3.26Å | ||
| 77 | G | 95.7 | Very high | 95.4 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | trans | 78.7 | -165 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y64 E75 | Y64-G77 VanDerWaalsContact CE2-O 3.3Å; Y64-G77 WeakPolarHBondContact CE2-O 3.27Å; Y64-G77 PolarHBondContact OH-O 2.95Å; E75-G77 PolarHBondContact O-N 2.86Å | ||
| 78 | P | 97.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 66% | 0.662 | 28% | 0.277 | S | S | * | . | trans | -64.3 | 147.5 | 176.6 | -20.9 | 33.2 | 0 | 0 | 0 | 112.4 | D80 G81 Y82 | P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 PolarHBondContact O-N 3.14Å; P78-G81 PolarHBondContact O-N 3.41Å; P78-G81 VanDerWaalsContact O-N 3.16Å; P78-Y82 PolarHBondContact O-N 3.28Å | ||
| 79 | F | 97.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.4 | -40.7 | -179.5 | -174.6 | -111.8 | 0 | 0 | 0 | 113.4 | L60 V61 Y64 G81 Y82 I83 H191 F192 | L60-F79 HydrophobicContact CD2-CE2 3.55Å; L60-F79 HydrophobicContact CD2-CZ 3.79Å; V61-F79 HydrophobicContact CG2-CE2 4.13Å; V61-F79 HydrophobicContact CG2-CZ 3.89Å; Y64-F79 AromaticContact CD1-CD2 3.73Å; Y64-F79 HydrophobicContact CD1-CD2 3.73Å; Y64-F79 HydrophobicContact CD1-CE2 4.37Å; Y64-F79 HydrophobicContact CD2-CD2 4.03Å; Y64-F79 HydrophobicContact CE1-CB 4.27Å; Y64-F79 HydrophobicContact CE1-CD2 4.04Å; Y64-F79 HydrophobicContact CE2-CB 4.24Å; Y64-F79 HydrophobicContact CE2-CD2 4.31Å; Y64-F79 AromaticContact CG-CD2 3.72Å; Y64-F79 HydrophobicContact CG-CD2 3.72Å; Y64-F79 HydrophobicContact CG-CE2 4.28Å; F79-G81 PolarHBondContact O-N 2.69Å; F79-Y82 WeakPolarHBondContact O-CA 3.5Å; F79-Y82 WeakPolarHBondContact O-CB 3.36Å; F79-Y82 PolarHBondContact O-N 2.98Å; F79-I83 HydrophobicContact CD1-CD1 4Å; F79-I83 HydrophobicContact CD1-CG1 4.45Å; F79-I83 HydrophobicContact CE1-CD1 3.67Å; F79-I83 HydrophobicContact CE1-CG1 4.11Å; F79-I83 HydrophobicContact CZ-CD1 4.22Å; F79-I83 HydrophobicContact CZ-CG1 4.2Å; F79-I83 WeakPolarHBondContact O-CG1 3.32Å; F79-I83 PolarHBondContact O-N 3.37Å; F79-H191 HydrophobicContact CE1-CB 3.81Å; F79-H191 WeakPolarHBondContact CE1-O 3.47Å; F79-H191 HydrophobicContact CE2-CB 4.47Å; F79-H191 HydrophobicContact CZ-CB 3.78Å; F79-F192 HydrophobicContact CE1-CD2 4.11Å; F79-F192 HydrophobicContact CE1-CE2 4.23Å; F79-F192 AromaticContact CZ-CD2 3.94Å; F79-F192 HydrophobicContact CZ-CD2 3.94Å; F79-F192 AromaticContact CZ-CE2 3.69Å; F79-F192 HydrophobicContact CZ-CE2 3.69Å; F79-F192 HydrophobicContact CZ-CZ 4.33Å |
| 80 | D | 96.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 178 | -172.1 | 58.9 | 0 | 0 | 0 | 112.5 | P78 Y82 I83 H84 Q196 | P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 PolarHBondContact O-N 3.14Å; D80-Y82 VanDerWaalsContact C-N 3.28Å; D80-Y82 PolarHBondContact O-N 3.39Å; D80-I83 PolarHBondContact O-N 2.87Å; D80-H84 PolarHBondContact O-CD2 3.42Å; D80-H84 VanDerWaalsContact O-CD2 3.3Å; D80-Q196 PolarHBondContact OD1-NE2 3.47Å |
| 81 | G | 97.5 | Very high | 95.4 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.9 | -31.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | P78 F79 H84 K85 | P78-G81 PolarHBondContact O-N 3.41Å; P78-G81 VanDerWaalsContact O-N 3.16Å; F79-G81 PolarHBondContact O-N 2.69Å; G81-H84 PolarHBondContact O-N 2.79Å; G81-K85 WeakPolarHBondContact O-CG 3.27Å; G81-K85 PolarHBondContact O-N 2.95Å |
| 82 | Y | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 178.1 | -164.2 | -91.6 | 0 | 0 | 0 | 112.5 | L60 Y63 Y64 D67 P76 P78 F79 D80 H84 K85 F86 L91 | L60-Y82 HydrophobicContact CD2-CD1 4.16Å; L60-Y82 HydrophobicContact CG-CD1 4.46Å; Y63-Y82 WeakPolarHBondContact CB-OH 3.29Å; Y63-Y82 WeakPolarHBondContact CD2-OH 3.2Å; Y63-Y82 VanDerWaalsContact CG-OH 3.31Å; Y64-Y82 AromaticContact CD2-CD1 3.88Å; Y64-Y82 HydrophobicContact CD2-CD1 3.88Å; Y64-Y82 AromaticContact CD2-CD2 3.8Å; Y64-Y82 HydrophobicContact CD2-CD2 3.8Å; Y64-Y82 HydrophobicContact CD2-CE1 4.38Å; Y64-Y82 HydrophobicContact CD2-CE2 4.31Å; Y64-Y82 AromaticContact CD2-CG 3.55Å; Y64-Y82 HydrophobicContact CD2-CG 3.55Å; Y64-Y82 HydrophobicContact CE2-CD2 4.5Å; Y64-Y82 HydrophobicContact CE2-CG 4.34Å; Y64-Y82 HydrophobicContact CG-CD1 4.33Å; Y64-Y82 HydrophobicContact CG-CG 4.43Å; Y64-Y82 PolarHBondContact N-OH 3.25Å; D67-Y82 HydrophobicContact CB-CE2 4.46Å; D67-Y82 VanDerWaalsContact OD2-CE2 3.31Å; D67-Y82 WeakPolarHBondContact OD2-CE2 3.35Å; D67-Y82 PolarHBondContact OD2-OH 2.9Å; P76-Y82 HydrophobicContact CB-CD2 3.54Å; P76-Y82 HydrophobicContact CB-CE2 3.63Å; P78-Y82 PolarHBondContact O-N 3.28Å; F79-Y82 WeakPolarHBondContact O-CA 3.5Å; F79-Y82 WeakPolarHBondContact O-CB 3.36Å; F79-Y82 PolarHBondContact O-N 2.98Å; D80-Y82 VanDerWaalsContact C-N 3.28Å; D80-Y82 PolarHBondContact O-N 3.39Å; Y82-H84 VanDerWaalsContact C-N 3.3Å; Y82-H84 PolarHBondContact O-N 3.35Å; Y82-K85 PolarHBondContact O-N 3.28Å; Y82-F86 PolarHBondContact O-N 2.94Å; Y82-L91 HydrophobicContact CD2-CD2 4.31Å; Y82-L91 HydrophobicContact CE1-CD1 3.75Å; Y82-L91 HydrophobicContact CE2-CD1 4.33Å; Y82-L91 HydrophobicContact CE2-CD2 3.67Å |
| 83 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.7 | -47.2 | 174.9 | -67.2 | 165 | 0 | 0 | 0 | 110.4 | L60 F79 D80 K85 F86 M87 F192 Q196 M199 F200 | L60-I83 HydrophobicContact CD1-CB 4.39Å; L60-I83 HydrophobicContact CD1-CG1 4.18Å; L60-I83 HydrophobicContact CD1-CG2 4.33Å; L60-I83 HydrophobicContact CD2-CG1 4.08Å; F79-I83 HydrophobicContact CD1-CD1 4Å; F79-I83 HydrophobicContact CD1-CG1 4.45Å; F79-I83 HydrophobicContact CE1-CD1 3.67Å; F79-I83 HydrophobicContact CE1-CG1 4.11Å; F79-I83 HydrophobicContact CZ-CD1 4.22Å; F79-I83 HydrophobicContact CZ-CG1 4.2Å; F79-I83 WeakPolarHBondContact O-CG1 3.32Å; F79-I83 PolarHBondContact O-N 3.37Å; D80-I83 PolarHBondContact O-N 2.87Å; I83-K85 PolarHBondContact O-N 3.01Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 2.79Å; I83-M87 HydrophobicContact CG2-CG 4.4Å; I83-M87 HydrophobicContact CG2-SD 3.67Å; I83-M87 VanDerWaalsContact O-CG 3.32Å; I83-M87 WeakPolarHBondContact O-CG 3.4Å; I83-M87 PolarHBondContact O-N 3.18Å; I83-F192 HydrophobicContact CD1-CD1 4.29Å; I83-F192 HydrophobicContact CD1-CE1 4.01Å; I83-F192 HydrophobicContact CD1-CZ 4.36Å; I83-F192 HydrophobicContact CG1-CE1 4.28Å; I83-F192 HydrophobicContact CG1-CZ 4.28Å; I83-Q196 HydrophobicContact CD1-CB 4.06Å; I83-Q196 HydrophobicContact CD1-CG 3.97Å; I83-M199 HydrophobicContact CG2-CE 3.8Å; I83-F200 HydrophobicContact CG2-CD2 4.2Å |
| 84 | H | 98 | Very high | 95.9 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 179 | -66.1 | -64.8 | 0 | 0 | 0 | 113 | D80 G81 Y82 F86 M87 R88 M199 | D80-H84 PolarHBondContact O-CD2 3.42Å; D80-H84 VanDerWaalsContact O-CD2 3.3Å; G81-H84 PolarHBondContact O-N 2.79Å; Y82-H84 VanDerWaalsContact C-N 3.3Å; Y82-H84 PolarHBondContact O-N 3.35Å; H84-F86 VanDerWaalsContact C-N 3.31Å; H84-F86 PolarHBondContact O-N 3.44Å; H84-M87 PolarHBondContact O-N 3.23Å; H84-R88 WeakPolarHBondContact O-CB 3.47Å; H84-R88 WeakPolarHBondContact O-CG 3.32Å; H84-R88 PolarHBondContact O-N 2.98Å; H84-M199 PolarHBondContact CE1-SD 3.23Å |
| 85 | K | 97.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 30% | 0.3 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.5 | -68.7 | 174.9 | -174.4 | 174.2 | 0 | 111.1 | P76 G81 Y82 I83 R88 G89 E90 L91 | P76-K85 PolarHBondContact O-NZ 3.26Å; G81-K85 WeakPolarHBondContact O-CG 3.27Å; G81-K85 PolarHBondContact O-N 2.95Å; Y82-K85 PolarHBondContact O-N 3.28Å; I83-K85 PolarHBondContact O-N 3.01Å; K85-R88 PolarHBondContact O-N 3.37Å; K85-G89 PolarHBondContact O-N 3.45Å; K85-G89 VanDerWaalsContact O-N 3.15Å; K85-E90 HydrophobicContact CB-CB 4.23Å; K85-E90 PolarHBondContact O-N 3.03Å; K85-L91 HydrophobicContact CB-CD2 4.02Å; K85-L91 HydrophobicContact CB-CG 4.35Å |
| 86 | F | 98.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 177.3 | -174.6 | -80 | 0 | 0 | 0 | 111.7 | A56 L60 Y82 I83 H84 R88 G89 L91 W96 F200 | A56-F86 HydrophobicContact CB-CE1 4.39Å; L60-F86 HydrophobicContact CB-CD1 4.26Å; L60-F86 HydrophobicContact CB-CD2 3.73Å; L60-F86 HydrophobicContact CB-CE1 4.28Å; L60-F86 HydrophobicContact CB-CE2 3.77Å; L60-F86 HydrophobicContact CB-CG 3.99Å; L60-F86 HydrophobicContact CB-CZ 4.04Å; L60-F86 HydrophobicContact CD1-CB 3.72Å; L60-F86 HydrophobicContact CD1-CD1 3.73Å; L60-F86 HydrophobicContact CD1-CD2 4.21Å; L60-F86 HydrophobicContact CD1-CE1 4.38Å; L60-F86 HydrophobicContact CD1-CG 3.63Å; L60-F86 HydrophobicContact CG-CB 3.92Å; L60-F86 HydrophobicContact CG-CD1 4.23Å; L60-F86 HydrophobicContact CG-CD2 3.79Å; L60-F86 HydrophobicContact CG-CE2 4.36Å; L60-F86 HydrophobicContact CG-CG 3.72Å; Y82-F86 PolarHBondContact O-N 2.94Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 2.79Å; H84-F86 VanDerWaalsContact C-N 3.31Å; H84-F86 PolarHBondContact O-N 3.44Å; F86-R88 VanDerWaalsContact C-N 3.3Å; F86-R88 PolarHBondContact O-N 3.17Å; F86-G89 PolarHBondContact O-N 3.08Å; F86-L91 HydrophobicContact CB-CD1 3.76Å; F86-L91 HydrophobicContact CD2-CD1 3.61Å; F86-L91 HydrophobicContact CG-CD1 4.12Å; F86-W96 HydrophobicContact CE1-CB 3.69Å; F86-W96 HydrophobicContact CE1-CG 4.04Å; F86-W96 HydrophobicContact CE2-CB 4.21Å; F86-W96 HydrophobicContact CZ-CB 3.41Å; F86-W96 VanDerWaalsContact CZ-CB 3.41Å; F86-W96 AromaticContact CZ-CD1 3.78Å; F86-W96 HydrophobicContact CZ-CD2 4.38Å; F86-W96 AromaticContact CZ-CG 3.56Å; F86-W96 HydrophobicContact CZ-CG 3.56Å; F86-F200 HydrophobicContact CD1-CE2 4.01Å; F86-F200 HydrophobicContact CD1-CZ 4.33Å; F86-F200 HydrophobicContact CE1-CE2 4.22Å; F86-F200 HydrophobicContact CE1-CZ 4.08Å |
| 87 | M | 97.9 | Very high | 96.7 | Very high | 25 Ų | 25 | 46 Ų | 46 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -38 | -179.9 | -67.9 | 163.9 | 74.1 | 0 | 0 | 112.3 | I83 H84 G89 M199 F200 D203 | I83-M87 HydrophobicContact CG2-CG 4.4Å; I83-M87 HydrophobicContact CG2-SD 3.67Å; I83-M87 VanDerWaalsContact O-CG 3.32Å; I83-M87 WeakPolarHBondContact O-CG 3.4Å; I83-M87 PolarHBondContact O-N 3.18Å; H84-M87 PolarHBondContact O-N 3.23Å; M87-G89 VanDerWaalsContact C-N 3.27Å; M87-G89 PolarHBondContact O-N 3.48Å; M87-M199 HydrophobicContact CE-CE 4.44Å; M87-M199 HydrophobicContact CE-CG 4.26Å; M87-M199 HydrophobicContact SD-CE 3.9Å; M87-F200 HydrophobicContact CG-CD2 3.88Å; M87-F200 HydrophobicContact CG-CE2 3.93Å; M87-F200 HydrophobicContact SD-CD2 4.15Å; M87-D203 HydrophobicContact CE-CB 3.29Å |
| 88 | R | 97.7 | Very high | 96.8 | Very high | 154 Ų | 154 | 48.2 Ų | 48.2 | 58% | 0.581 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.3 | 177.3 | -65.7 | -166.7 | -58.4 | -108.1 | -5.6 | 114 | H84 K85 F86 E90 | H84-R88 WeakPolarHBondContact O-CB 3.47Å; H84-R88 WeakPolarHBondContact O-CG 3.32Å; H84-R88 PolarHBondContact O-N 2.98Å; K85-R88 PolarHBondContact O-N 3.37Å; F86-R88 VanDerWaalsContact C-N 3.3Å; F86-R88 PolarHBondContact O-N 3.17Å; R88-E90 VanDerWaalsContact C-N 3.3Å; R88-E90 HydrophobicContact CB-CG 3.86Å; R88-E90 IonicContact CZ-OE1 2.97Å; R88-E90 IonicContact CZ-OE2 3.68Å; R88-E90 IonicContact NE-OE1 3.79Å; R88-E90 PolarHBondContact NE-OE1 2.98Å; R88-E90 IonicContact NE-OE2 2.78Å; R88-E90 PolarHBondContact NE-OE2 3.47Å; R88-E90 IonicContact NH2-OE1 3.86Å; R88-E90 IonicContact NH2-OE2 3.52Å; R88-E90 PolarHBondContact NH2-OE2 2.94Å; R88-E90 PolarHBondContact O-N 3.28Å |
| 89 | G | 96.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 28.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K85 F86 M87 L91 G94 | K85-G89 PolarHBondContact O-N 3.45Å; K85-G89 VanDerWaalsContact O-N 3.15Å; F86-G89 PolarHBondContact O-N 3.08Å; M87-G89 VanDerWaalsContact C-N 3.27Å; M87-G89 PolarHBondContact O-N 3.48Å; G89-L91 PolarHBondContact O-N 3.5Å; G89-G94 WeakPolarHBondContact O-CA 3.39Å |
| 90 | E | 96.2 | Very high | 96.9 | Very high | 111 Ų | 111 | 43.5 Ų | 43.5 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | trans | -87.9 | 16.8 | -179 | -65.1 | 171.9 | 177.1 | 0 | 0 | 112.8 | K85 R88 | K85-E90 HydrophobicContact CB-CB 4.23Å; K85-E90 PolarHBondContact O-N 3.03Å; R88-E90 VanDerWaalsContact C-N 3.3Å; R88-E90 HydrophobicContact CB-CG 3.86Å; R88-E90 IonicContact CZ-OE1 2.97Å; R88-E90 IonicContact CZ-OE2 3.68Å; R88-E90 IonicContact NE-OE1 3.79Å; R88-E90 PolarHBondContact NE-OE1 2.98Å; R88-E90 IonicContact NE-OE2 2.78Å; R88-E90 PolarHBondContact NE-OE2 3.47Å; R88-E90 IonicContact NH2-OE1 3.86Å; R88-E90 IonicContact NH2-OE2 3.52Å; R88-E90 PolarHBondContact NH2-OE2 2.94Å; R88-E90 PolarHBondContact O-N 3.28Å | ||
| 91 | L | 94.1 | Very high | 97 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -104.3 | 163.2 | 176.6 | -62.6 | 179.5 | 0 | 0 | 0 | 110.5 | Y63 Y82 K85 F86 G89 W93 G94 | Y63-L91 HydrophobicContact CD1-CD1 4.31Å; Y63-L91 HydrophobicContact CE1-CB 4.42Å; Y82-L91 HydrophobicContact CD2-CD2 4.31Å; Y82-L91 HydrophobicContact CE1-CD1 3.75Å; Y82-L91 HydrophobicContact CE2-CD1 4.33Å; Y82-L91 HydrophobicContact CE2-CD2 3.67Å; K85-L91 HydrophobicContact CB-CD2 4.02Å; K85-L91 HydrophobicContact CB-CG 4.35Å; F86-L91 HydrophobicContact CB-CD1 3.76Å; F86-L91 HydrophobicContact CD2-CD1 3.61Å; F86-L91 HydrophobicContact CG-CD1 4.12Å; G89-L91 PolarHBondContact O-N 3.5Å; L91-W93 PolarHBondContact O-N 2.86Å; L91-G94 PolarHBondContact O-N 3.48Å |
| 92 | P | 92.4 | Very high | 97 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 28% | 0.279 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 143.9 | 174.6 | -18.6 | 27.8 | 0 | 0 | 0 | 111.3 | Y63 Q73 G94 | Y63-P92 VanDerWaalsContact OH-CB 3.28Å; Y63-P92 WeakPolarHBondContact OH-CB 3.36Å; Y63-P92 WeakPolarHBondContact OH-CD 3.41Å; Y63-P92 WeakPolarHBondContact OH-CG 3.42Å; Y63-P92 PolarHBondContact OH-O 3.38Å; Q73-P92 VanDerWaalsContact OE1-CG 3.29Å; P92-G94 PolarHBondContact O-N 3.3Å |
| 93 | W | 91.7 | Very high | 97 | Very high | 95 Ų | 95 | 41.3 Ų | 41.3 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -2.4 | -171.9 | -40.1 | 109.4 | 0 | 0 | 0 | 115.9 | M1 H32 L33 L91 | M1-W93 HydrophobicContact CB-CH2 4.31Å; M1-W93 HydrophobicContact CB-CZ2 4.23Å; H32-W93 HydrophobicContact CB-CD2 3.9Å; H32-W93 HydrophobicContact CB-CG 4Å; H32-W93 HydrophobicContact CB-CZ2 4.47Å; H32-W93 VanDerWaalsContact O-CD2 3.29Å; L33-W93 HydrophobicContact CD2-CE3 4.15Å; L33-W93 HydrophobicContact CD2-CZ3 3.63Å; L33-W93 HydrophobicContact CG-CZ3 4.48Å; L91-W93 PolarHBondContact O-N 2.86Å |
| 94 | G | 95.9 | Very high | 97 | Very high | 33 Ų | 33 | 43 Ų | 43 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | trans | 83 | -149.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G89 L91 P92 W96 | G89-G94 WeakPolarHBondContact O-CA 3.39Å; L91-G94 PolarHBondContact O-N 3.48Å; P92-G94 PolarHBondContact O-N 3.3Å; G94-W96 PolarHBondContact O-N 3.09Å | ||
| 95 | S | 97.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | trans | -63.5 | 120.1 | -179.1 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | Y97 D98 H99 | S95-Y97 PolarHBondContact O-N 3.19Å; S95-Y97 PolarHBondContact OG-N 3.15Å; S95-D98 VanDerWaalsContact CB-OD2 3.29Å; S95-D98 WeakPolarHBondContact CB-OD2 3.49Å; S95-D98 PolarHBondContact O-N 3.44Å; S95-D98 PolarHBondContact OG-N 3.36Å; S95-D98 PolarHBondContact OG-OD2 2.64Å; S95-H99 WeakPolarHBondContact O-CB 3.45Å; S95-H99 PolarHBondContact O-N 3.05Å | ||
| 96 | W | 98.3 | Very high | 96.8 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.5 | -40.7 | 171.6 | 173.6 | 93.7 | 0 | 0 | 0 | 111 | R54 A56 F86 G94 H99 V100 Y204 M208 F215 | R54-W96 VanDerWaalsContact O-CZ2 3.29Å; R54-W96 WeakPolarHBondContact O-CZ2 3.08Å; R54-W96 PolarHBondContact O-NE1 3.46Å; A56-W96 HydrophobicContact CB-CD2 3.76Å; A56-W96 HydrophobicContact CB-CE3 3.69Å; A56-W96 HydrophobicContact CB-CH2 3.73Å; A56-W96 HydrophobicContact CB-CZ2 3.73Å; A56-W96 HydrophobicContact CB-CZ3 3.69Å; F86-W96 HydrophobicContact CE1-CB 3.69Å; F86-W96 HydrophobicContact CE1-CG 4.04Å; F86-W96 HydrophobicContact CE2-CB 4.21Å; F86-W96 HydrophobicContact CZ-CB 3.41Å; F86-W96 VanDerWaalsContact CZ-CB 3.41Å; F86-W96 AromaticContact CZ-CD1 3.78Å; F86-W96 HydrophobicContact CZ-CD2 4.38Å; F86-W96 AromaticContact CZ-CG 3.56Å; F86-W96 HydrophobicContact CZ-CG 3.56Å; G94-W96 PolarHBondContact O-N 3.09Å; W96-H99 WeakPolarHBondContact O-CB 3.32Å; W96-H99 PolarHBondContact O-N 2.98Å; W96-V100 HydrophobicContact CD2-CG1 4.25Å; W96-V100 HydrophobicContact CD2-CG2 4.38Å; W96-V100 HydrophobicContact CE3-CG2 4.19Å; W96-V100 HydrophobicContact CH2-CG1 4.44Å; W96-V100 HydrophobicContact CH2-CG2 3.82Å; W96-V100 HydrophobicContact CZ2-CG1 3.83Å; W96-V100 HydrophobicContact CZ2-CG2 4.07Å; W96-V100 HydrophobicContact CZ3-CG2 3.9Å; W96-V100 WeakPolarHBondContact O-CG2 3.32Å; W96-V100 PolarHBondContact O-N 3.33Å; W96-Y204 AromaticContact CH2-CE2 3.66Å; W96-Y204 HydrophobicContact CH2-CE2 3.66Å; W96-Y204 HydrophobicContact CZ3-CD2 4.17Å; W96-Y204 AromaticContact CZ3-CE2 3.53Å; W96-Y204 HydrophobicContact CZ3-CE2 3.53Å; W96-M208 HydrophobicContact CZ3-SD 4.19Å; W96-F215 AromaticContact CH2-CD2 3.99Å; W96-F215 HydrophobicContact CH2-CD2 3.99Å; W96-F215 HydrophobicContact CH2-CE1 4.4Å; W96-F215 AromaticContact CH2-CE2 3.55Å; W96-F215 HydrophobicContact CH2-CE2 3.55Å; W96-F215 AromaticContact CH2-CZ 3.79Å; W96-F215 HydrophobicContact CH2-CZ 3.79Å; W96-F215 HydrophobicContact CZ2-CD2 4.47Å; W96-F215 AromaticContact CZ2-CE1 3.95Å; W96-F215 HydrophobicContact CZ2-CE1 3.95Å; W96-F215 AromaticContact CZ2-CE2 3.89Å; W96-F215 HydrophobicContact CZ2-CE2 3.89Å; W96-F215 AromaticContact CZ2-CZ 3.6Å; W96-F215 HydrophobicContact CZ2-CZ 3.6Å |
| 97 | Y | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -52 | -179.4 | -55.7 | -71 | 0 | 0 | 0 | 111.2 | S95 H99 V100 K101 D203 Y204 Q207 M208 | S95-Y97 PolarHBondContact O-N 3.19Å; S95-Y97 PolarHBondContact OG-N 3.15Å; Y97-H99 VanDerWaalsContact C-N 3.3Å; Y97-H99 PolarHBondContact O-N 3.49Å; Y97-V100 WeakPolarHBondContact O-CG2 3.29Å; Y97-V100 PolarHBondContact O-N 3.02Å; Y97-K101 VanDerWaalsContact C-CE 3.49Å; Y97-K101 VanDerWaalsContact O-CB 3.29Å; Y97-K101 WeakPolarHBondContact O-CB 3.19Å; Y97-K101 WeakPolarHBondContact O-CE 3.44Å; Y97-K101 WeakPolarHBondContact O-CG 3.17Å; Y97-K101 PolarHBondContact O-N 3.48Å; Y97-D203 WeakPolarHBondContact CE2-OD2 3.34Å; Y97-D203 PolarHBondContact OH-OD2 2.95Å; Y97-Y204 AromaticContact CE1-CD2 3.71Å; Y97-Y204 HydrophobicContact CE1-CD2 3.71Å; Y97-Y204 HydrophobicContact CE1-CE2 4.38Å; Y97-Y204 HydrophobicContact CE1-CG 4.32Å; Y97-Q207 HydrophobicContact CD1-CB 3.61Å; Y97-Q207 HydrophobicContact CD1-CG 4.32Å; Y97-Q207 HydrophobicContact CD2-CB 3.91Å; Y97-Q207 HydrophobicContact CD2-CG 3.81Å; Y97-Q207 HydrophobicContact CE1-CB 3.82Å; Y97-Q207 HydrophobicContact CE1-CG 4.25Å; Y97-Q207 HydrophobicContact CE2-CB 4.08Å; Y97-Q207 HydrophobicContact CE2-CG 3.7Å; Y97-Q207 HydrophobicContact CG-CB 3.66Å; Y97-Q207 HydrophobicContact CG-CG 4.11Å; Y97-M208 HydrophobicContact CD1-CG 3.93Å; Y97-M208 HydrophobicContact CD1-SD 3.79Å; Y97-M208 HydrophobicContact CE1-CG 4.34Å |
| 98 | D | 97.6 | Very high | 96.7 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70 | -33.2 | -177.4 | -59.6 | -34.3 | 0 | 0 | 0 | 111.2 | S95 K101 G102 | S95-D98 VanDerWaalsContact CB-OD2 3.29Å; S95-D98 WeakPolarHBondContact CB-OD2 3.49Å; S95-D98 PolarHBondContact O-N 3.44Å; S95-D98 PolarHBondContact OG-N 3.36Å; S95-D98 PolarHBondContact OG-OD2 2.64Å; D98-K101 VanDerWaalsContact OD1-CE 3.25Å; D98-K101 WeakPolarHBondContact OD1-CE 3.42Å; D98-K101 IonicContact OD1-NZ 2.63Å; D98-K101 PolarHBondContact OD1-NZ 3.13Å; D98-G102 PolarHBondContact O-N 3.33Å |
| 99 | H | 98.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 53 Ų | 53 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -52.2 | 175.4 | -158.4 | -63.2 | 0 | 0 | 0 | 111.6 | H32 L33 Y51 S95 W96 Y97 Y103 | H32-H99 PolarHBondContact O-NE2 3.18Å; H32-H99 VanDerWaalsContact O-NE2 3.15Å; L33-H99 PolarHBondContact O-NE2 2.96Å; Y51-H99 AromaticContact CE2-CE1 3.71Å; Y51-H99 AromaticContact CE2-ND1 3.68Å; Y51-H99 AromaticContact CZ-ND1 3.72Å; Y51-H99 PolarHBondContact OH-ND1 2.93Å; Y51-H99 PolarHBondContact OH-O 3Å; S95-H99 WeakPolarHBondContact O-CB 3.45Å; S95-H99 PolarHBondContact O-N 3.05Å; W96-H99 WeakPolarHBondContact O-CB 3.32Å; W96-H99 PolarHBondContact O-N 2.98Å; Y97-H99 VanDerWaalsContact C-N 3.3Å; Y97-H99 PolarHBondContact O-N 3.49Å; H99-Y103 AromaticContact CE1-CE2 3.56Å; H99-Y103 AromaticContact ND1-CD2 3.9Å; H99-Y103 AromaticContact ND1-CE2 3.9Å; H99-Y103 WeakPolarHBondContact O-CD2 3.46Å; H99-Y103 PolarHBondContact O-N 3.35Å |
| 100 | V | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 179.8 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | A53 W96 Y97 W104 M208 I213 F215 | A53-V100 HydrophobicContact CB-CG1 4.42Å; W96-V100 HydrophobicContact CD2-CG1 4.25Å; W96-V100 HydrophobicContact CD2-CG2 4.38Å; W96-V100 HydrophobicContact CE3-CG2 4.19Å; W96-V100 HydrophobicContact CH2-CG1 4.44Å; W96-V100 HydrophobicContact CH2-CG2 3.82Å; W96-V100 HydrophobicContact CZ2-CG1 3.83Å; W96-V100 HydrophobicContact CZ2-CG2 4.07Å; W96-V100 HydrophobicContact CZ3-CG2 3.9Å; W96-V100 WeakPolarHBondContact O-CG2 3.32Å; W96-V100 PolarHBondContact O-N 3.33Å; Y97-V100 WeakPolarHBondContact O-CG2 3.29Å; Y97-V100 PolarHBondContact O-N 3.02Å; V100-W104 WeakPolarHBondContact O-CB 3.33Å; V100-W104 PolarHBondContact O-N 3.36Å; V100-M208 HydrophobicContact CG2-CE 4.28Å; V100-I213 HydrophobicContact CB-CD1 4.41Å; V100-I213 HydrophobicContact CG2-CD1 4.17Å; V100-F215 HydrophobicContact CB-CE2 4.37Å; V100-F215 HydrophobicContact CB-CZ 3.97Å; V100-F215 HydrophobicContact CG1-CZ 3.95Å; V100-F215 HydrophobicContact CG2-CE2 4.05Å; V100-F215 HydrophobicContact CG2-CZ 4.1Å |
| 101 | K | 97.8 | Very high | 96.6 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.3 | -74.3 | -178.8 | -61.3 | -176.2 | 0 | 111.7 | Y97 D98 W104 V105 Q207 M208 V211 | Y97-K101 VanDerWaalsContact C-CE 3.49Å; Y97-K101 VanDerWaalsContact O-CB 3.29Å; Y97-K101 WeakPolarHBondContact O-CB 3.19Å; Y97-K101 WeakPolarHBondContact O-CE 3.44Å; Y97-K101 WeakPolarHBondContact O-CG 3.17Å; Y97-K101 PolarHBondContact O-N 3.48Å; D98-K101 VanDerWaalsContact OD1-CE 3.25Å; D98-K101 WeakPolarHBondContact OD1-CE 3.42Å; D98-K101 IonicContact OD1-NZ 2.63Å; D98-K101 PolarHBondContact OD1-NZ 3.13Å; K101-W104 PolarHBondContact O-N 3Å; K101-V105 WeakPolarHBondContact O-CG2 3.46Å; K101-V105 PolarHBondContact O-N 3.49Å; K101-Q207 PolarHBondContact NZ-O 2.89Å; K101-M208 HydrophobicContact CD-SD 4.13Å; K101-M208 HydrophobicContact CG-CE 4.26Å; K101-M208 HydrophobicContact CG-SD 4.11Å; K101-V211 HydrophobicContact CD-CB 4.45Å; K101-V211 HydrophobicContact CD-CG2 3.85Å; K101-V211 HydrophobicContact CG-CB 4.25Å; K101-V211 HydrophobicContact CG-CG2 3.92Å |
| 102 | G | 97.3 | Very high | 96.8 | Very high | 20 Ų | 20 | 54 Ų | 54 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -54.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | D98 W104 V105 E106 | D98-G102 PolarHBondContact O-N 3.33Å; G102-W104 VanDerWaalsContact C-N 3.28Å; G102-W104 PolarHBondContact O-N 3.5Å; G102-V105 PolarHBondContact O-N 2.83Å; G102-E106 WeakPolarHBondContact O-CB 3.42Å; G102-E106 VanDerWaalsContact O-CG 3.24Å; G102-E106 WeakPolarHBondContact O-CG 3.43Å; G102-E106 PolarHBondContact O-N 2.81Å; G102-E106 VanDerWaalsContact O-N 3.14Å |
| 103 | Y | 98.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 176.2 | -79.4 | -89.4 | 0 | 0 | 0 | 112.7 | L33 F35 V38 W43 Y51 H99 R107 I112 | L33-Y103 WeakPolarHBondContact O-CE2 3.42Å; L33-Y103 PolarHBondContact O-OH 3.19Å; F35-Y103 HydrophobicContact CB-CD2 4.05Å; F35-Y103 HydrophobicContact CB-CE2 3.98Å; F35-Y103 HydrophobicContact CB-CG 4.41Å; F35-Y103 HydrophobicContact CD2-CD1 4.32Å; F35-Y103 HydrophobicContact CD2-CE1 4.34Å; F35-Y103 VanDerWaalsContact N-CE2 3.33Å; V38-Y103 WeakPolarHBondContact CG2-OH 3.47Å; W43-Y103 HydrophobicContact CH2-CE1 4.19Å; Y51-Y103 HydrophobicContact CD1-CG 4.31Å; Y51-Y103 AromaticContact CD2-CD1 3.38Å; Y51-Y103 HydrophobicContact CD2-CD1 3.38Å; Y51-Y103 AromaticContact CD2-CD2 3.59Å; Y51-Y103 HydrophobicContact CD2-CD2 3.59Å; Y51-Y103 AromaticContact CD2-CE1 3.73Å; Y51-Y103 HydrophobicContact CD2-CE1 3.73Å; Y51-Y103 AromaticContact CD2-CE2 3.92Å; Y51-Y103 HydrophobicContact CD2-CE2 3.92Å; Y51-Y103 AromaticContact CD2-CG 3.29Å; Y51-Y103 HydrophobicContact CD2-CG 3.29Å; Y51-Y103 AromaticContact CD2-CZ 3.98Å; Y51-Y103 HydrophobicContact CE1-CG 4.38Å; Y51-Y103 AromaticContact CE2-CD1 3.95Å; Y51-Y103 HydrophobicContact CE2-CD1 3.95Å; Y51-Y103 AromaticContact CE2-CD2 3.2Å; Y51-Y103 HydrophobicContact CE2-CD2 3.2Å; Y51-Y103 HydrophobicContact CE2-CE1 4.28Å; Y51-Y103 AromaticContact CE2-CE2 3.59Å; Y51-Y103 HydrophobicContact CE2-CE2 3.59Å; Y51-Y103 AromaticContact CE2-CG 3.4Å; Y51-Y103 HydrophobicContact CE2-CG 3.4Å; Y51-Y103 AromaticContact CG-CD1 3.83Å; Y51-Y103 HydrophobicContact CG-CD1 3.83Å; Y51-Y103 HydrophobicContact CG-CD2 4.44Å; Y51-Y103 AromaticContact CG-CG 3.78Å; Y51-Y103 HydrophobicContact CG-CG 3.78Å; Y51-Y103 AromaticContact CZ-CD2 3.79Å; Y51-Y103 AromaticContact CZ-CG 3.95Å; H99-Y103 AromaticContact CE1-CE2 3.56Å; H99-Y103 AromaticContact ND1-CD2 3.9Å; H99-Y103 AromaticContact ND1-CE2 3.9Å; H99-Y103 WeakPolarHBondContact O-CD2 3.46Å; H99-Y103 PolarHBondContact O-N 3.35Å; Y103-R107 WeakPolarHBondContact O-CB 3.46Å; Y103-R107 PolarHBondContact O-N 2.82Å; Y103-R107 VanDerWaalsContact O-N 3.16Å; Y103-I112 HydrophobicContact CD1-CD1 4.2Å |
| 104 | W | 97.9 | Very high | 97.4 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -50.9 | 177.1 | -176.9 | -105.5 | 0 | 0 | 0 | 111.6 | V100 K101 G102 E106 R107 Y114 F116 V211 N212 I213 P214 | V100-W104 WeakPolarHBondContact O-CB 3.33Å; V100-W104 PolarHBondContact O-N 3.36Å; K101-W104 PolarHBondContact O-N 3Å; G102-W104 VanDerWaalsContact C-N 3.28Å; G102-W104 PolarHBondContact O-N 3.5Å; W104-E106 PolarHBondContact O-N 3.21Å; W104-R107 VanDerWaalsContact CE2-CZ 3.45Å; W104-R107 VanDerWaalsContact CE2-NH2 3.26Å; W104-R107 WeakPolarHBondContact O-CD 3.4Å; W104-R107 WeakPolarHBondContact O-CG 3.48Å; W104-R107 PolarHBondContact O-N 2.8Å; W104-R107 PolarHBondContact O-NH1 2.95Å; W104-Y114 HydrophobicContact CB-CE2 3.92Å; W104-Y114 AromaticContact CE3-CD1 3.73Å; W104-Y114 HydrophobicContact CE3-CD1 3.73Å; W104-Y114 AromaticContact CE3-CD2 3.85Å; W104-Y114 HydrophobicContact CE3-CD2 3.85Å; W104-Y114 AromaticContact CE3-CE1 3.75Å; W104-Y114 HydrophobicContact CE3-CE1 3.75Å; W104-Y114 AromaticContact CE3-CE2 3.87Å; W104-Y114 HydrophobicContact CE3-CE2 3.87Å; W104-Y114 AromaticContact CE3-CG 3.78Å; W104-Y114 HydrophobicContact CE3-CG 3.78Å; W104-Y114 AromaticContact CE3-CZ 3.82Å; W104-Y114 AromaticContact CZ3-CD1 3.78Å; W104-Y114 HydrophobicContact CZ3-CD1 3.78Å; W104-Y114 HydrophobicContact CZ3-CE1 4.03Å; W104-Y114 HydrophobicContact CZ3-CG 4.09Å; W104-F116 HydrophobicContact CH2-CZ 4.21Å; W104-F116 HydrophobicContact CZ3-CE2 4.18Å; W104-F116 AromaticContact CZ3-CZ 3.74Å; W104-F116 HydrophobicContact CZ3-CZ 3.74Å; W104-V211 HydrophobicContact CG-CG1 4.33Å; W104-N212 WeakPolarHBondContact CZ2-O 3.2Å; W104-I213 HydrophobicContact CB-CD1 3.58Å; W104-I213 HydrophobicContact CB-CG1 4.24Å; W104-I213 HydrophobicContact CD2-CB 4.44Å; W104-I213 HydrophobicContact CD2-CD1 4.12Å; W104-I213 HydrophobicContact CD2-CG1 3.88Å; W104-I213 HydrophobicContact CD2-CG2 4.09Å; W104-I213 HydrophobicContact CE3-CG2 3.97Å; W104-I213 HydrophobicContact CG-CD1 3.64Å; W104-I213 HydrophobicContact CG-CG1 3.72Å; W104-I213 HydrophobicContact CH2-CG2 4.37Å; W104-I213 HydrophobicContact CZ2-CG2 4.47Å; W104-I213 HydrophobicContact CZ3-CG2 4.12Å; W104-P214 HydrophobicContact CH2-CG 4.27Å |
| 105 | V | 96.9 | Very high | 97.6 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.7 | -48.3 | -179.7 | 171 | 0 | 0 | 0 | 0 | 110.7 | K101 G102 R107 K108 | K101-V105 WeakPolarHBondContact O-CG2 3.46Å; K101-V105 PolarHBondContact O-N 3.49Å; G102-V105 PolarHBondContact O-N 2.83Å; V105-R107 VanDerWaalsContact C-N 3.28Å; V105-R107 PolarHBondContact O-N 3.25Å; V105-K108 PolarHBondContact O-N 2.63Å |
| 106 | E | 96.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 28% | 0.276 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.9 | -20.4 | -172.9 | -67.7 | -72 | 153.2 | 0 | 0 | 113.8 | F35 G102 W104 K108 E109 K110 I112 | F35-E106 HydrophobicContact CD1-CB 4.48Å; F35-E106 HydrophobicContact CD1-CG 3.67Å; F35-E106 HydrophobicContact CD2-CB 3.83Å; F35-E106 HydrophobicContact CD2-CG 3.92Å; F35-E106 HydrophobicContact CE1-CB 4.16Å; F35-E106 VanDerWaalsContact CE1-CD 3.41Å; F35-E106 HydrophobicContact CE1-CG 3.4Å; F35-E106 HydrophobicContact CE2-CB 3.44Å; F35-E106 VanDerWaalsContact CE2-CB 3.44Å; F35-E106 HydrophobicContact CE2-CG 3.66Å; F35-E106 HydrophobicContact CG-CB 4.33Å; F35-E106 HydrophobicContact CG-CG 3.93Å; F35-E106 HydrophobicContact CZ-CB 3.63Å; F35-E106 VanDerWaalsContact CZ-CD 3.45Å; F35-E106 HydrophobicContact CZ-CG 3.39Å; F35-E106 VanDerWaalsContact CZ-OE2 3.22Å; F35-E106 WeakPolarHBondContact CZ-OE2 3.28Å; G102-E106 WeakPolarHBondContact O-CB 3.42Å; G102-E106 VanDerWaalsContact O-CG 3.24Å; G102-E106 WeakPolarHBondContact O-CG 3.43Å; G102-E106 PolarHBondContact O-N 2.81Å; G102-E106 VanDerWaalsContact O-N 3.14Å; W104-E106 PolarHBondContact O-N 3.21Å; E106-K108 PolarHBondContact O-N 2.94Å; E106-E109 PolarHBondContact O-N 3.28Å; E106-K110 HydrophobicContact CB-CG 4.3Å; E106-K110 WeakPolarHBondContact O-CB 3.48Å; E106-K110 PolarHBondContact O-N 2.78Å; E106-I112 HydrophobicContact CB-CD1 4.22Å |
| 107 | R | 96.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 27% | 0.272 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.8 | 176.9 | 87.5 | -160.2 | -175.9 | -59.2 | 4.2 | 114 | Y103 W104 V105 I112 | Y103-R107 WeakPolarHBondContact O-CB 3.46Å; Y103-R107 PolarHBondContact O-N 2.82Å; Y103-R107 VanDerWaalsContact O-N 3.16Å; W104-R107 VanDerWaalsContact CE2-CZ 3.45Å; W104-R107 VanDerWaalsContact CE2-NH2 3.26Å; W104-R107 WeakPolarHBondContact O-CD 3.4Å; W104-R107 WeakPolarHBondContact O-CG 3.48Å; W104-R107 PolarHBondContact O-N 2.8Å; W104-R107 PolarHBondContact O-NH1 2.95Å; V105-R107 VanDerWaalsContact C-N 3.28Å; V105-R107 PolarHBondContact O-N 3.25Å; R107-I112 HydrophobicContact CB-CB 3.98Å; R107-I112 HydrophobicContact CB-CG2 4.23Å |
| 108 | K | 95.6 | Very high | 97.6 | Very high | 158 Ų | 158 | 48.4 Ų | 48.4 | 69% | 0.687 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -33.3 | 177.7 | -66.8 | -178.3 | 177.2 | -179.9 | 0 | 111.9 | V105 E106 | V105-K108 PolarHBondContact O-N 2.63Å; E106-K108 PolarHBondContact O-N 2.94Å |
| 109 | E | 95.4 | Very high | 97.6 | Very high | 159 Ų | 159 | 45.6 Ų | 45.6 | 74% | 0.743 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -24.3 | -173 | -58.3 | -56 | 137.2 | 0 | 0 | 112.8 | E106 | E106-E109 PolarHBondContact O-N 3.28Š|
| 110 | K | 97 | Very high | 97.5 | Very high | 74 Ų | 74 | 47.2 Ų | 47.2 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -107.4 | 157.7 | -176.9 | -53.4 | -56.3 | -177.6 | -174.4 | 0 | 111.3 | F35 W43 E106 I112 | F35-K110 HydrophobicContact CE2-CG 4.05Å; F35-K110 HydrophobicContact CZ-CG 4.01Å; W43-K110 HydrophobicContact CB-CD 4.43Å; W43-K110 HydrophobicContact CE3-CB 4.19Å; W43-K110 HydrophobicContact CE3-CG 4.32Å; W43-K110 HydrophobicContact CZ3-CB 4.38Å; E106-K110 HydrophobicContact CB-CG 4.3Å; E106-K110 WeakPolarHBondContact O-CB 3.48Å; E106-K110 PolarHBondContact O-N 2.78Å; K110-I112 HydrophobicContact CB-CD1 3.8Å; K110-I112 HydrophobicContact CB-CG1 3.91Å; K110-I112 PolarHBondContact O-N 2.91Å |
| 111 | N | 97.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 51.3 Ų | 51.3 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | trans | -71.8 | 76.7 | 174.5 | -76 | -16.4 | 0 | 0 | 0 | 110.9 | K46 A49 Y134 | K46-N111 PolarHBondContact O-ND2 3.11Å; A49-N111 PolarHBondContact N-O 2.81Å; N111-Y134 VanDerWaalsContact C-OH 3.28Å; N111-Y134 PolarHBondContact O-OH 3.11Å | ||
| 112 | I | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.4 | -178.6 | -56.8 | 171.2 | 0 | 0 | 0 | 109.9 | F35 W43 A49 Y103 E106 R107 K110 | F35-I112 HydrophobicContact CD2-CD1 4.32Å; F35-I112 HydrophobicContact CE2-CD1 4.08Å; W43-I112 HydrophobicContact CH2-CD1 4.09Å; W43-I112 HydrophobicContact CH2-CG1 4.36Å; W43-I112 HydrophobicContact CZ3-CD1 4.02Å; W43-I112 HydrophobicContact CZ3-CG1 3.97Å; A49-I112 HydrophobicContact CB-CG1 4.23Å; A49-I112 CarbonylContact O-C 3.54Å; A49-I112 VanDerWaalsContact O-CA 3.32Å; A49-I112 WeakPolarHBondContact O-CA 3.36Å; Y103-I112 HydrophobicContact CD1-CD1 4.2Å; E106-I112 HydrophobicContact CB-CD1 4.22Å; R107-I112 HydrophobicContact CB-CB 3.98Å; R107-I112 HydrophobicContact CB-CG2 4.23Å; K110-I112 HydrophobicContact CB-CD1 3.8Å; K110-I112 HydrophobicContact CB-CG1 3.91Å; K110-I112 PolarHBondContact O-N 2.91Å |
| 113 | L | 98.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.12 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 109.6 | 163 | 179.4 | 66 | 0 | 0 | 0 | 108.9 | A49 I50 Y51 L115 I131 Y134 | A49-L113 PolarHBondContact O-N 2.83Å; I50-L113 WeakPolarHBondContact CA-O 3.33Å; I50-L113 HydrophobicContact CG1-CB 4.35Å; I50-L113 HydrophobicContact CG1-CD2 4.32Å; I50-L113 HydrophobicContact CG2-CD2 4.4Å; Y51-L113 PolarHBondContact N-O 3.38Å; L113-L115 HydrophobicContact CD1-CD2 4.06Å; L113-L115 HydrophobicContact CD2-CD1 4.1Å; L113-L115 HydrophobicContact CD2-CD2 3.94Å; L113-L115 HydrophobicContact CD2-CG 4.11Å; L113-L115 HydrophobicContact CG-CD1 4.48Å; L113-L115 HydrophobicContact CG-CD2 3.8Å; L113-L115 HydrophobicContact CG-CG 3.97Å; L113-I131 HydrophobicContact CD2-CB 4.48Å; L113-I131 HydrophobicContact CD2-CG1 3.9Å; L113-Y134 HydrophobicContact CB-CD1 3.71Å; L113-Y134 HydrophobicContact CB-CD2 3.72Å; L113-Y134 HydrophobicContact CB-CE1 3.8Å; L113-Y134 HydrophobicContact CB-CE2 3.8Å; L113-Y134 HydrophobicContact CB-CG 3.66Å; L113-Y134 HydrophobicContact CD1-CG 4.47Å; L113-Y134 HydrophobicContact CD2-CD1 3.9Å; L113-Y134 HydrophobicContact CD2-CG 3.84Å; L113-Y134 HydrophobicContact CG-CD1 4.41Å; L113-Y134 HydrophobicContact CG-CD2 4.5Å; L113-Y134 HydrophobicContact CG-CG 4.19Å |
| 114 | Y | 98.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.4 | 176.8 | -159 | -71 | 0 | 0 | 0 | 110.1 | Y51 A53 W104 F116 I213 | Y51-Y114 HydrophobicContact CD1-CD1 4.47Å; Y51-Y114 AromaticContact CD1-CD2 3.52Å; Y51-Y114 HydrophobicContact CD1-CD2 3.52Å; Y51-Y114 HydrophobicContact CD1-CE1 4.25Å; Y51-Y114 AromaticContact CD1-CE2 3.23Å; Y51-Y114 HydrophobicContact CD1-CE2 3.23Å; Y51-Y114 HydrophobicContact CD1-CG 4.15Å; Y51-Y114 AromaticContact CD1-CZ 3.65Å; Y51-Y114 HydrophobicContact CE1-CD2 4.19Å; Y51-Y114 HydrophobicContact CE1-CE1 4.43Å; Y51-Y114 AromaticContact CE1-CE2 3.41Å; Y51-Y114 HydrophobicContact CE1-CE2 3.41Å; Y51-Y114 VanDerWaalsContact CE1-CE2 3.41Å; Y51-Y114 AromaticContact CE1-CZ 3.56Å; Y51-Y114 HydrophobicContact CG-CD2 4.31Å; Y51-Y114 HydrophobicContact CG-CE2 4.31Å; A53-Y114 HydrophobicContact CB-CE1 3.45Å; A53-Y114 VanDerWaalsContact CB-CE1 3.45Å; A53-Y114 WeakPolarHBondContact CB-OH 3.28Å; W104-Y114 HydrophobicContact CB-CE2 3.92Å; W104-Y114 AromaticContact CE3-CD1 3.73Å; W104-Y114 HydrophobicContact CE3-CD1 3.73Å; W104-Y114 AromaticContact CE3-CD2 3.85Å; W104-Y114 HydrophobicContact CE3-CD2 3.85Å; W104-Y114 AromaticContact CE3-CE1 3.75Å; W104-Y114 HydrophobicContact CE3-CE1 3.75Å; W104-Y114 AromaticContact CE3-CE2 3.87Å; W104-Y114 HydrophobicContact CE3-CE2 3.87Å; W104-Y114 AromaticContact CE3-CG 3.78Å; W104-Y114 HydrophobicContact CE3-CG 3.78Å; W104-Y114 AromaticContact CE3-CZ 3.82Å; W104-Y114 AromaticContact CZ3-CD1 3.78Å; W104-Y114 HydrophobicContact CZ3-CD1 3.78Å; W104-Y114 HydrophobicContact CZ3-CE1 4.03Å; W104-Y114 HydrophobicContact CZ3-CG 4.09Å; Y114-F116 HydrophobicContact CD1-CE1 4.32Å; Y114-F116 HydrophobicContact CD1-CE2 4.16Å; Y114-F116 AromaticContact CD1-CZ 3.92Å; Y114-F116 HydrophobicContact CD1-CZ 3.92Å; Y114-F116 HydrophobicContact CE1-CD1 4.34Å; Y114-F116 AromaticContact CE1-CE1 3.67Å; Y114-F116 HydrophobicContact CE1-CE1 3.67Å; Y114-F116 HydrophobicContact CE1-CE2 4.32Å; Y114-F116 AromaticContact CE1-CZ 3.65Å; Y114-F116 HydrophobicContact CE1-CZ 3.65Å; Y114-I213 HydrophobicContact CE1-CG2 4.49Å |
| 115 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155 | -179.2 | -59.5 | 179.9 | 0 | 0 | 0 | 111 | I50 Y51 V52 A53 L113 M120 E127 I131 | I50-L115 HydrophobicContact CG2-CD1 3.68Å; I50-L115 HydrophobicContact CG2-CG 4.29Å; Y51-L115 PolarHBondContact O-N 3.1Å; V52-L115 HydrophobicContact CG2-CB 4.4Å; A53-L115 PolarHBondContact N-O 2.92Å; L113-L115 HydrophobicContact CD1-CD2 4.06Å; L113-L115 HydrophobicContact CD2-CD1 4.1Å; L113-L115 HydrophobicContact CD2-CD2 3.94Å; L113-L115 HydrophobicContact CD2-CG 4.11Å; L113-L115 HydrophobicContact CG-CD1 4.48Å; L113-L115 HydrophobicContact CG-CD2 3.8Å; L113-L115 HydrophobicContact CG-CG 3.97Å; L115-M120 HydrophobicContact CB-SD 4.47Å; L115-M120 HydrophobicContact CD1-SD 4.47Å; L115-E127 WeakPolarHBondContact CD2-OE2 3.5Å; L115-I131 HydrophobicContact CD1-CD1 3.77Å; L115-I131 HydrophobicContact CD1-CG1 3.73Å |
| 116 | F | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 59.4 Ų | 59.4 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.4 | 172.7 | -62.8 | -82.1 | 0 | 0 | 0 | 109.7 | A53 W104 Y114 E118 D119 M120 I213 P214 F215 | A53-F116 HydrophobicContact CB-CD1 4.34Å; A53-F116 HydrophobicContact CB-CE1 4.45Å; A53-F116 CarbonylContact O-C 3.6Å; A53-F116 WeakPolarHBondContact O-CA 3.4Å; W104-F116 HydrophobicContact CH2-CZ 4.21Å; W104-F116 HydrophobicContact CZ3-CE2 4.18Å; W104-F116 AromaticContact CZ3-CZ 3.74Å; W104-F116 HydrophobicContact CZ3-CZ 3.74Å; Y114-F116 HydrophobicContact CD1-CE1 4.32Å; Y114-F116 HydrophobicContact CD1-CE2 4.16Å; Y114-F116 AromaticContact CD1-CZ 3.92Å; Y114-F116 HydrophobicContact CD1-CZ 3.92Å; Y114-F116 HydrophobicContact CE1-CD1 4.34Å; Y114-F116 AromaticContact CE1-CE1 3.67Å; Y114-F116 HydrophobicContact CE1-CE1 3.67Å; Y114-F116 HydrophobicContact CE1-CE2 4.32Å; Y114-F116 AromaticContact CE1-CZ 3.65Å; Y114-F116 HydrophobicContact CE1-CZ 3.65Å; F116-E118 PolarHBondContact O-N 3.18Å; F116-D119 HydrophobicContact CB-CB 4.26Å; F116-D119 WeakPolarHBondContact O-CB 3.49Å; F116-D119 PolarHBondContact O-N 3.24Å; F116-D119 VanDerWaalsContact O-N 3.11Å; F116-M120 WeakPolarHBondContact O-CG 3.45Å; F116-M120 PolarHBondContact O-N 3.24Å; F116-M120 VanDerWaalsContact O-N 3.11Å; F116-I213 HydrophobicContact CE1-CG2 3.63Å; F116-I213 HydrophobicContact CZ-CG2 3.68Å; F116-P214 HydrophobicContact CE2-CG 4Å; F116-P214 HydrophobicContact CZ-CG 3.83Å; F116-F215 AromaticContact CD1-CD1 3.91Å; F116-F215 HydrophobicContact CD1-CD1 3.91Å; F116-F215 AromaticContact CD1-CE1 3.96Å; F116-F215 HydrophobicContact CD1-CE1 3.96Å; F116-F215 AromaticContact CE1-CD1 3.91Å; F116-F215 HydrophobicContact CE1-CD1 3.91Å; F116-F215 AromaticContact CE1-CE1 3.86Å; F116-F215 HydrophobicContact CE1-CE1 3.86Å; F116-F215 HydrophobicContact CE1-CG 4.38Å; F116-F215 HydrophobicContact CE1-CZ 4.3Å |
| 117 | Y | 98.1 | Very high | 97.5 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.4 | -35.9 | 175.6 | 174.7 | -94.1 | 0 | 0 | 0 | 111.4 | A53 R54 M120 K121 G183 V185 | A53-Y117 PolarHBondContact O-N 3.24Å; R54-Y117 HydrophobicContact CB-CG 4.44Å; R54-Y117 HydrophobicContact CG-CD1 3.9Å; R54-Y117 HydrophobicContact CG-CG 4.04Å; Y117-M120 PolarHBondContact O-N 3.4Å; Y117-K121 HydrophobicContact CD1-CG 4.09Å; Y117-K121 HydrophobicContact CE1-CD 4.34Å; Y117-K121 HydrophobicContact CE1-CG 3.58Å; Y117-K121 HydrophobicContact CE2-CG 4.25Å; Y117-K121 WeakPolarHBondContact O-CG 3.42Å; Y117-K121 PolarHBondContact O-N 2.91Å; Y117-G183 WeakPolarHBondContact OH-CA 3.37Å; Y117-G183 PolarHBondContact OH-O 2.98Å; Y117-V185 HydrophobicContact CD1-CG2 3.99Å; Y117-V185 HydrophobicContact CE1-CG2 3.79Å |
| 118 | E | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 177.9 | -61.7 | 77 | -164.6 | 0 | 0 | 111.7 | R54 N55 F116 M120 K121 E122 V185 R216 | R54-E118 WeakPolarHBondContact CG-OE1 3.41Å; N55-E118 WeakPolarHBondContact CB-OE1 3.47Å; N55-E118 PolarHBondContact N-OE1 3.34Å; N55-E118 PolarHBondContact ND2-OE1 3.07Å; F116-E118 PolarHBondContact O-N 3.18Å; E118-M120 VanDerWaalsContact C-N 3.35Å; E118-K121 PolarHBondContact O-N 3.35Å; E118-E122 WeakPolarHBondContact O-CB 3.48Å; E118-E122 PolarHBondContact O-N 3.06Å; E118-V185 HydrophobicContact CB-CG2 4.44Å; E118-V185 HydrophobicContact CG-CG1 3.77Å; E118-V185 HydrophobicContact CG-CG2 4.05Å; E118-R216 HydrophobicContact CB-CB 4.27Å; E118-R216 HydrophobicContact CG-CB 4.23Å; E118-R216 WeakPolarHBondContact CG-O 3.35Å |
| 119 | D | 97.5 | Very high | 97.7 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 175.3 | -64.5 | -9.4 | 0 | 0 | 0 | 111.4 | F116 K121 E122 N123 E127 R216 | F116-D119 HydrophobicContact CB-CB 4.26Å; F116-D119 WeakPolarHBondContact O-CB 3.49Å; F116-D119 PolarHBondContact O-N 3.24Å; F116-D119 VanDerWaalsContact O-N 3.11Å; D119-K121 PolarHBondContact O-N 2.9Å; D119-E122 PolarHBondContact O-N 3.47Å; D119-N123 CarbonylContact O-C 3.55Å; D119-N123 PolarHBondContact O-N 3.28Å; D119-E127 HydrophobicContact CB-CG 4.01Å; D119-R216 IonicContact OD1-CZ 3.73Å; D119-R216 IonicContact OD1-NE 3.36Å; D119-R216 PolarHBondContact OD1-NE 3.07Å; D119-R216 IonicContact OD1-NH2 3.7Å; D119-R216 PolarHBondContact OD1-NH2 2.61Å |
| 120 | M | 97.3 | Very high | 97.8 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 32% | 0.315 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.6 | -30.7 | 177.1 | -64.4 | 174.2 | 66.7 | 0 | 0 | 112 | V52 L115 F116 Y117 E118 P124 E127 | V52-M120 HydrophobicContact CG1-SD 3.93Å; V52-M120 HydrophobicContact CG2-SD 4.33Å; L115-M120 HydrophobicContact CB-SD 4.47Å; L115-M120 HydrophobicContact CD1-SD 4.47Å; F116-M120 WeakPolarHBondContact O-CG 3.45Å; F116-M120 PolarHBondContact O-N 3.24Å; F116-M120 VanDerWaalsContact O-N 3.11Å; Y117-M120 PolarHBondContact O-N 3.4Å; E118-M120 VanDerWaalsContact C-N 3.35Å; M120-P124 WeakPolarHBondContact O-CA 3.28Å; M120-P124 WeakPolarHBondContact O-CB 3.41Å; M120-E127 HydrophobicContact CB-CG 4.36Å; M120-E127 HydrophobicContact CG-CB 3.94Å; M120-E127 HydrophobicContact CG-CG 3.89Å |
| 121 | K | 96 | Very high | 97.9 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -78 | -40.1 | 175.7 | -78.8 | -61.4 | -49.8 | -169.3 | 0 | 112.7 | Y117 E118 D119 G183 V185 I219 | Y117-K121 HydrophobicContact CD1-CG 4.09Å; Y117-K121 HydrophobicContact CE1-CD 4.34Å; Y117-K121 HydrophobicContact CE1-CG 3.58Å; Y117-K121 HydrophobicContact CE2-CG 4.25Å; Y117-K121 WeakPolarHBondContact O-CG 3.42Å; Y117-K121 PolarHBondContact O-N 2.91Å; E118-K121 PolarHBondContact O-N 3.35Å; D119-K121 PolarHBondContact O-N 2.9Å; K121-G183 WeakPolarHBondContact CE-O 3.21Å; K121-G183 PolarHBondContact NZ-O 2.97Å; K121-V185 HydrophobicContact CB-CG2 4Å; K121-V185 HydrophobicContact CG-CG2 4Å; K121-I219 HydrophobicContact CB-CD1 4.33Å |
| 122 | E | 96.3 | Very high | 97.9 | Very high | 90 Ų | 90 | 41.1 Ų | 41.1 | 42% | 0.421 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.3 | -49.2 | -179.9 | 177.3 | -174.5 | -117 | 0 | 0 | 112.2 | E118 D119 R126 R216 I219 | E118-E122 WeakPolarHBondContact O-CB 3.48Å; E118-E122 PolarHBondContact O-N 3.06Å; D119-E122 PolarHBondContact O-N 3.47Å; E122-R126 IonicContact OE2-NH1 3.57Å; E122-R126 IonicContact OE2-NH2 2.8Å; E122-R216 IonicContact OE1-CZ 3.47Å; E122-R216 IonicContact OE1-NH1 3.28Å; E122-R216 PolarHBondContact OE1-NH1 2.97Å; E122-R216 IonicContact OE1-NH2 3.45Å; E122-R216 IonicContact OE2-CZ 3.44Å; E122-R216 IonicContact OE2-NH1 2.77Å; E122-R216 PolarHBondContact OE2-NH1 2.77Å; E122-R216 IonicContact OE2-NH2 2.69Å; E122-R216 PolarHBondContact OE2-NH2 3.13Å; E122-I219 HydrophobicContact CB-CD1 4.17Å |
| 123 | N | 97.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | trans | -139 | 78.2 | -178.5 | -166.5 | -25.9 | 0 | 0 | 0 | 110.7 | D119 R125 R126 E127 | D119-N123 CarbonylContact O-C 3.55Å; D119-N123 PolarHBondContact O-N 3.28Å; N123-R125 PolarHBondContact O-N 2.69Å; N123-R126 HydrophobicContact CB-CB 4.01Å; N123-R126 VanDerWaalsContact CG-CB 3.46Å; N123-R126 PolarHBondContact O-N 3.42Å; N123-R126 WeakPolarHBondContact OD1-CB 3.31Å; N123-R126 PolarHBondContact OD1-N 3.23Å; N123-E127 PolarHBondContact O-N 2.9Å | ||
| 124 | P | 97.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.8 | -34 | -178.2 | 22 | -33.2 | 0 | 0 | 0 | 112.7 | M120 E127 V128 V148 | M120-P124 WeakPolarHBondContact O-CA 3.28Å; M120-P124 WeakPolarHBondContact O-CB 3.41Å; P124-E127 PolarHBondContact O-N 3.12Å; P124-V128 WeakPolarHBondContact O-CB 3.49Å; P124-V128 VanDerWaalsContact O-CG2 3.28Å; P124-V128 WeakPolarHBondContact O-CG2 3.48Å; P124-V128 PolarHBondContact O-N 2.8Å; P124-V148 HydrophobicContact CB-CG1 4.1Å; P124-V148 HydrophobicContact CB-CG2 4.5Å; P124-V148 HydrophobicContact CG-CG1 3.88Å |
| 125 | R | 98.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 52 Ų | 52 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 178.4 | -178.2 | 170.1 | 175.1 | 114.3 | 5.6 | 111.6 | N123 E127 V128 E129 D141 I144 N145 V148 | N123-R125 PolarHBondContact O-N 2.69Å; R125-E127 VanDerWaalsContact C-N 3.3Å; R125-E127 PolarHBondContact O-N 3.1Å; R125-V128 PolarHBondContact O-N 3.25Å; R125-E129 IonicContact CZ-OE1 3.25Å; R125-E129 IonicContact NE-OE1 3.57Å; R125-E129 PolarHBondContact NE-OE1 2.77Å; R125-E129 IonicContact NH2-OE1 3.47Å; R125-E129 PolarHBondContact NH2-OE1 3.36Å; R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 3.44Å; R125-D141 IonicContact CZ-OD1 2.77Å; R125-D141 PolarHBondContact NH1-O 3.23Å; R125-D141 VanDerWaalsContact NH2-CG 3.27Å; R125-D141 IonicContact NH2-OD1 2.79Å; R125-D141 PolarHBondContact NH2-OD1 2.87Å; R125-D141 IonicContact NH2-OD2 3.73Å; R125-I144 HydrophobicContact CG-CG2 3.81Å; R125-N145 PolarHBondContact NH1-ND2 3.43Å; R125-N145 PolarHBondContact NH1-OD1 3.44Å; R125-V148 HydrophobicContact CB-CG2 4.07Å |
| 126 | R | 97.9 | Very high | 97.6 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.8 | -44 | 176.1 | -178.8 | -174.8 | 72.1 | -154.3 | -4.2 | 111.4 | E122 N123 E129 R130 | E122-R126 IonicContact OE2-NH1 3.57Å; E122-R126 IonicContact OE2-NH2 2.8Å; N123-R126 HydrophobicContact CB-CB 4.01Å; N123-R126 VanDerWaalsContact CG-CB 3.46Å; N123-R126 PolarHBondContact O-N 3.42Å; N123-R126 WeakPolarHBondContact OD1-CB 3.31Å; N123-R126 PolarHBondContact OD1-N 3.23Å; R126-E129 PolarHBondContact O-N 2.68Å; R126-R130 WeakPolarHBondContact O-CG 3.41Å; R126-R130 PolarHBondContact O-N 3.46Å |
| 127 | E | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.5 | -35.9 | -179.2 | -59.8 | -47.2 | 124.9 | 0 | 0 | 112.4 | L115 D119 M120 N123 P124 R125 R130 I131 | L115-E127 WeakPolarHBondContact CD2-OE2 3.5Å; D119-E127 HydrophobicContact CB-CG 4.01Å; M120-E127 HydrophobicContact CB-CG 4.36Å; M120-E127 HydrophobicContact CG-CB 3.94Å; M120-E127 HydrophobicContact CG-CG 3.89Å; N123-E127 PolarHBondContact O-N 2.9Å; P124-E127 PolarHBondContact O-N 3.12Å; R125-E127 VanDerWaalsContact C-N 3.3Å; R125-E127 PolarHBondContact O-N 3.1Å; E127-R130 WeakPolarHBondContact O-CB 3.42Å; E127-R130 PolarHBondContact O-N 3.26Å; E127-R130 IonicContact OE1-NH1 3.5Å; E127-R130 PolarHBondContact OE1-NH1 3.49Å; E127-R130 WeakPolarHBondContact OE2-CD 3.33Å; E127-R130 IonicContact OE2-CZ 2.63Å; E127-R130 IonicContact OE2-NE 2.72Å; E127-R130 IonicContact OE2-NH1 3.02Å; E127-R130 PolarHBondContact OE2-NH1 3.24Å; E127-I131 WeakPolarHBondContact O-CG1 3.46Å; E127-I131 PolarHBondContact O-N 3.38Å |
| 128 | V | 98.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 9% | 0.085 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 170.9 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | P124 R125 R130 I131 M132 I144 I147 V148 | P124-V128 WeakPolarHBondContact O-CB 3.49Å; P124-V128 VanDerWaalsContact O-CG2 3.28Å; P124-V128 WeakPolarHBondContact O-CG2 3.48Å; P124-V128 PolarHBondContact O-N 2.8Å; R125-V128 PolarHBondContact O-N 3.25Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 2.95Å; V128-I131 PolarHBondContact O-N 3.16Å; V128-I131 VanDerWaalsContact O-N 3.14Å; V128-M132 HydrophobicContact CG1-CG 4.36Å; V128-M132 WeakPolarHBondContact O-CG 3.47Å; V128-M132 PolarHBondContact O-N 2.94Å; V128-I144 HydrophobicContact CG1-CG2 4.11Å; V128-I147 HydrophobicContact CG1-CB 4.29Å; V128-I147 HydrophobicContact CG1-CD1 4.3Å; V128-I147 HydrophobicContact CG1-CG2 3.89Å; V128-I147 HydrophobicContact CG2-CG2 3.83Å; V128-V148 HydrophobicContact CB-CG2 4.49Å; V128-V148 HydrophobicContact CG2-CG2 4.07Å |
| 129 | E | 98 | Very high | 97.1 | Very high | 64 Ų | 64 | 68.2 Ų | 68.2 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 176.4 | -73.8 | 168.2 | -174.9 | 0 | 0 | 112.3 | R125 R126 R133 I144 | R125-E129 IonicContact CZ-OE1 3.25Å; R125-E129 IonicContact NE-OE1 3.57Å; R125-E129 PolarHBondContact NE-OE1 2.77Å; R125-E129 IonicContact NH2-OE1 3.47Å; R125-E129 PolarHBondContact NH2-OE1 3.36Å; R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 3.44Å; R126-E129 PolarHBondContact O-N 2.68Å; E129-R133 WeakPolarHBondContact O-CG 3.46Å; E129-R133 PolarHBondContact O-N 3.3Å; E129-R133 PolarHBondContact O-NE 3.36Å; E129-I144 HydrophobicContact CG-CD1 3.92Å; E129-I144 HydrophobicContact CG-CG2 4.31Å |
| 130 | R | 98.1 | Very high | 97.1 | Very high | 75 Ų | 75 | 69.9 Ų | 69.9 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 172.5 | -73.5 | 174.9 | 72.2 | -167.4 | 5.5 | 111.8 | R126 E127 V128 Y134 | R126-R130 WeakPolarHBondContact O-CG 3.41Å; R126-R130 PolarHBondContact O-N 3.46Å; E127-R130 WeakPolarHBondContact O-CB 3.42Å; E127-R130 PolarHBondContact O-N 3.26Å; E127-R130 IonicContact OE1-NH1 3.5Å; E127-R130 PolarHBondContact OE1-NH1 3.49Å; E127-R130 WeakPolarHBondContact OE2-CD 3.33Å; E127-R130 IonicContact OE2-CZ 2.63Å; E127-R130 IonicContact OE2-NE 2.72Å; E127-R130 IonicContact OE2-NH1 3.02Å; E127-R130 PolarHBondContact OE2-NH1 3.24Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 2.95Å; R130-Y134 WeakPolarHBondContact O-CB 3.27Å; R130-Y134 PolarHBondContact O-N 3.22Å |
| 131 | I | 98.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 71.5 Ų | 71.5 | 17% | 0.169 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 176.4 | -67.2 | 164.7 | 0 | 0 | 0 | 110.7 | I50 L113 L115 E127 V128 R133 Y134 L135 | I50-I131 HydrophobicContact CD1-CG1 4.47Å; I50-I131 HydrophobicContact CD1-CG2 3.78Å; L113-I131 HydrophobicContact CD2-CB 4.48Å; L113-I131 HydrophobicContact CD2-CG1 3.9Å; L115-I131 HydrophobicContact CD1-CD1 3.77Å; L115-I131 HydrophobicContact CD1-CG1 3.73Å; E127-I131 WeakPolarHBondContact O-CG1 3.46Å; E127-I131 PolarHBondContact O-N 3.38Å; V128-I131 PolarHBondContact O-N 3.16Å; V128-I131 VanDerWaalsContact O-N 3.14Å; I131-R133 PolarHBondContact O-N 3.39Å; I131-Y134 PolarHBondContact O-N 3.47Å; I131-L135 HydrophobicContact CG2-CD1 3.77Å; I131-L135 HydrophobicContact CG2-CG 4.27Å; I131-L135 WeakPolarHBondContact O-CB 3.42Å; I131-L135 WeakPolarHBondContact O-CG 3.46Å; I131-L135 PolarHBondContact O-N 3.27Å |
| 132 | M | 97.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 73.3 Ų | 73.3 | 14% | 0.143 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 179 | -68.1 | -58.2 | 108.3 | 0 | 0 | 111.4 | V128 Y134 L135 D136 L137 V139 | V128-M132 HydrophobicContact CG1-CG 4.36Å; V128-M132 WeakPolarHBondContact O-CG 3.47Å; V128-M132 PolarHBondContact O-N 2.94Å; M132-Y134 PolarHBondContact O-N 2.94Å; M132-L135 CarbonylContact O-C 3.58Å; M132-L135 PolarHBondContact O-N 3.42Å; M132-L135 VanDerWaalsContact O-N 3.16Å; M132-D136 PolarHBondContact O-N 3.47Å; M132-L137 CarbonylContact C-O 3.57Å; M132-L137 HydrophobicContact CB-CB 4.5Å; M132-L137 PolarHBondContact O-N 3.45Å; M132-L137 HydrophobicContact SD-CB 4.13Å; M132-L137 HydrophobicContact SD-CD1 4.09Å; M132-V139 HydrophobicContact CG-CG2 3.96Å; M132-V139 HydrophobicContact SD-CG2 4.13Å |
| 133 | R | 97.3 | Very high | 97.3 | Very high | 171 Ų | 171 | 72.1 Ų | 72.1 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 175.3 | -75.4 | -174.5 | -68.6 | 167.1 | -5.4 | 112.4 | E129 I131 L135 D136 | E129-R133 WeakPolarHBondContact O-CG 3.46Å; E129-R133 PolarHBondContact O-N 3.3Å; E129-R133 PolarHBondContact O-NE 3.36Å; I131-R133 PolarHBondContact O-N 3.39Å; R133-L135 VanDerWaalsContact C-N 3.25Å; R133-L135 PolarHBondContact O-N 2.85Å; R133-D136 PolarHBondContact O-N 3.31Å |
| 134 | Y | 97.9 | Very high | 97.3 | Very high | 46 Ų | 46 | 69.6 Ų | 69.6 | 18% | 0.18 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.2 | -32.8 | 177.8 | 173.6 | -104.5 | 0 | 0 | 0 | 113 | K48 A49 I50 N111 L113 R130 I131 M132 D136 | K48-Y134 VanDerWaalsContact CA-OH 3.25Å; K48-Y134 WeakPolarHBondContact CA-OH 3.21Å; K48-Y134 HydrophobicContact CB-CE1 3.83Å; K48-Y134 WeakPolarHBondContact CB-OH 3.29Å; K48-Y134 HydrophobicContact CD-CE1 4.21Å; K48-Y134 WeakPolarHBondContact CE-O 3.21Å; K48-Y134 HydrophobicContact CG-CE1 4.3Å; K48-Y134 PolarHBondContact NZ-O 3.5Å; A49-Y134 PolarHBondContact N-OH 3.05Å; A49-Y134 PolarHBondContact O-OH 2.94Å; A49-Y134 VanDerWaalsContact O-OH 3.05Å; I50-Y134 HydrophobicContact CD1-CD1 4.38Å; I50-Y134 HydrophobicContact CG1-CD1 3.96Å; I50-Y134 HydrophobicContact CG1-CE1 3.77Å; N111-Y134 VanDerWaalsContact C-OH 3.28Å; N111-Y134 PolarHBondContact O-OH 3.11Å; L113-Y134 HydrophobicContact CB-CD1 3.71Å; L113-Y134 HydrophobicContact CB-CD2 3.72Å; L113-Y134 HydrophobicContact CB-CE1 3.8Å; L113-Y134 HydrophobicContact CB-CE2 3.8Å; L113-Y134 HydrophobicContact CB-CG 3.66Å; L113-Y134 HydrophobicContact CD1-CG 4.47Å; L113-Y134 HydrophobicContact CD2-CD1 3.9Å; L113-Y134 HydrophobicContact CD2-CG 3.84Å; L113-Y134 HydrophobicContact CG-CD1 4.41Å; L113-Y134 HydrophobicContact CG-CD2 4.5Å; L113-Y134 HydrophobicContact CG-CG 4.19Å; R130-Y134 WeakPolarHBondContact O-CB 3.27Å; R130-Y134 PolarHBondContact O-N 3.22Å; I131-Y134 PolarHBondContact O-N 3.47Å; M132-Y134 PolarHBondContact O-N 2.94Å; Y134-D136 VanDerWaalsContact C-N 3.25Å; Y134-D136 PolarHBondContact O-N 3.19Å |
| 135 | L | 96.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 71 Ų | 71 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1.6 | 176 | -65.8 | 177.9 | 0 | 0 | 0 | 113.4 | K48 I131 M132 R133 L137 | K48-L135 HydrophobicContact CD-CD2 4.26Å; I131-L135 HydrophobicContact CG2-CD1 3.77Å; I131-L135 HydrophobicContact CG2-CG 4.27Å; I131-L135 WeakPolarHBondContact O-CB 3.42Å; I131-L135 WeakPolarHBondContact O-CG 3.46Å; I131-L135 PolarHBondContact O-N 3.27Å; M132-L135 CarbonylContact O-C 3.58Å; M132-L135 PolarHBondContact O-N 3.42Å; M132-L135 VanDerWaalsContact O-N 3.16Å; R133-L135 VanDerWaalsContact C-N 3.25Å; R133-L135 PolarHBondContact O-N 2.85Å; L135-L137 HydrophobicContact CB-CD1 3.91Å; L135-L137 HydrophobicContact CB-CG 3.94Å; L135-L137 HydrophobicContact CD1-CD1 4.23Å; L135-L137 PolarHBondContact O-N 3.07Å |
| 136 | D | 96.3 | Very high | 97.3 | Very high | 133 Ų | 133 | 74 Ų | 74 | 71% | 0.711 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 35.7 | -172.6 | -54 | -51.4 | 0 | 0 | 0 | 112.8 | K48 M132 R133 Y134 | K48-D136 IonicContact NZ-OD2 2.83Å; K48-D136 PolarHBondContact NZ-OD2 3.19Å; M132-D136 PolarHBondContact O-N 3.47Å; R133-D136 PolarHBondContact O-N 3.31Å; Y134-D136 VanDerWaalsContact C-N 3.25Å; Y134-D136 PolarHBondContact O-N 3.19Å |
| 137 | L | 95.8 | Very high | 97.3 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 48% | 0.482 | 37% | 0.369 | S | S | . | . | trans | -104.4 | 134.8 | 178.1 | -63.2 | 176.2 | 0 | 0 | 0 | 110.5 | M132 L135 | M132-L137 CarbonylContact C-O 3.57Å; M132-L137 HydrophobicContact CB-CB 4.5Å; M132-L137 PolarHBondContact O-N 3.45Å; M132-L137 HydrophobicContact SD-CB 4.13Å; M132-L137 HydrophobicContact SD-CD1 4.09Å; L135-L137 HydrophobicContact CB-CD1 3.91Å; L135-L137 HydrophobicContact CB-CG 3.94Å; L135-L137 HydrophobicContact CD1-CD1 4.23Å; L135-L137 PolarHBondContact O-N 3.07Å | ||
| 138 | S | 94.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 87% | 0.874 | 38% | 0.378 | S | S | * | . | trans | -114 | 121.2 | 169.4 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 139 | V | 94.6 | Very high | 97.3 | Very high | 53 Ų | 53 | 77.8 Ų | 77.8 | 32% | 0.321 | 40% | 0.397 | S | S | . | . | trans | -132.7 | 156.8 | -178.2 | -67.5 | 0 | 0 | 0 | 0 | 109.7 | M132 V143 I144 | M132-V139 HydrophobicContact CG-CG2 3.96Å; M132-V139 HydrophobicContact SD-CG2 4.13Å; V139-V143 HydrophobicContact CB-CB 4.11Å; V139-V143 HydrophobicContact CB-CG1 3.94Å; V139-V143 HydrophobicContact CG1-CG1 4.19Å; V139-V143 HydrophobicContact CG2-CG1 4.31Å; V139-I144 HydrophobicContact CG2-CD1 4.14Å; V139-I144 HydrophobicContact CG2-CG1 3.67Å | ||
| 140 | S | 97.2 | Very high | 97.3 | Very high | 62 Ų | 62 | 78.8 Ų | 78.8 | 43% | 0.434 | 40% | 0.404 | S | S | . | . | trans | -71 | 159.2 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 112 | D142 V143 I144 | S140-D142 PolarHBondContact O-N 3.49Å; S140-V143 WeakPolarHBondContact O-CB 3.38Å; S140-V143 PolarHBondContact O-N 2.94Å; S140-V143 WeakPolarHBondContact OG-CG2 3.34Å; S140-V143 PolarHBondContact OG-N 2.96Å; S140-I144 PolarHBondContact O-N 3.39Å | ||
| 141 | D | 97.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 78.6 Ų | 78.6 | 52% | 0.524 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57 | -33.6 | 175.4 | -78.4 | -12.8 | 0 | 0 | 0 | 113.2 | R125 I144 N145 | R125-D141 IonicContact CZ-OD1 2.77Å; R125-D141 PolarHBondContact NH1-O 3.23Å; R125-D141 VanDerWaalsContact NH2-CG 3.27Å; R125-D141 IonicContact NH2-OD1 2.79Å; R125-D141 PolarHBondContact NH2-OD1 2.87Å; R125-D141 IonicContact NH2-OD2 3.73Å; D141-I144 PolarHBondContact O-N 2.75Å; D141-N145 WeakPolarHBondContact O-CB 3.46Å; D141-N145 VanDerWaalsContact O-CG 3.3Å; D141-N145 PolarHBondContact O-N 2.99Å; D141-N145 PolarHBondContact O-ND2 2.64Å |
| 142 | D | 97.8 | Very high | 97.2 | Very high | 125 Ų | 125 | 79 Ų | 79 | 67% | 0.668 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 176.2 | -64.3 | -33.6 | 0 | 0 | 0 | 111.7 | S140 N145 R146 | S140-D142 PolarHBondContact O-N 3.49Å; D142-N145 PolarHBondContact O-N 3.29Å; D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 PolarHBondContact O-N 2.9Å |
| 143 | V | 97.9 | Very high | 97.2 | Very high | 65 Ų | 65 | 80.4 Ų | 80.4 | 39% | 0.394 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | V139 S140 R146 I147 | V139-V143 HydrophobicContact CB-CB 4.11Å; V139-V143 HydrophobicContact CB-CG1 3.94Å; V139-V143 HydrophobicContact CG1-CG1 4.19Å; V139-V143 HydrophobicContact CG2-CG1 4.31Å; S140-V143 WeakPolarHBondContact O-CB 3.38Å; S140-V143 PolarHBondContact O-N 2.94Å; S140-V143 WeakPolarHBondContact OG-CG2 3.34Å; S140-V143 PolarHBondContact OG-N 2.96Å; V143-R146 PolarHBondContact O-N 3.42Å; V143-I147 HydrophobicContact CG1-CD1 3.96Å; V143-I147 HydrophobicContact CG1-CG1 4.48Å; V143-I147 VanDerWaalsContact O-CG1 3.28Å; V143-I147 WeakPolarHBondContact O-CG1 3.27Å; V143-I147 PolarHBondContact O-N 2.89Å |
| 144 | I | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 80.6 Ų | 80.6 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 176.2 | -65.6 | 168.5 | 0 | 0 | 0 | 110.6 | R125 V128 E129 V139 S140 D141 R146 I147 V148 | R125-I144 HydrophobicContact CG-CG2 3.81Å; V128-I144 HydrophobicContact CG1-CG2 4.11Å; E129-I144 HydrophobicContact CG-CD1 3.92Å; E129-I144 HydrophobicContact CG-CG2 4.31Å; V139-I144 HydrophobicContact CG2-CD1 4.14Å; V139-I144 HydrophobicContact CG2-CG1 3.67Å; S140-I144 PolarHBondContact O-N 3.39Å; D141-I144 PolarHBondContact O-N 2.75Å; I144-R146 VanDerWaalsContact C-N 3.27Å; I144-R146 PolarHBondContact O-N 2.78Å; I144-I147 PolarHBondContact O-N 2.98Å; I144-V148 WeakPolarHBondContact O-CG2 3.36Å; I144-V148 PolarHBondContact O-N 3.42Å |
| 145 | N | 97.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 80.2 Ų | 80.2 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 177 | -77.6 | -30.7 | 0 | 0 | 0 | 111.4 | R125 D141 D142 V148 E149 | R125-N145 PolarHBondContact NH1-ND2 3.43Å; R125-N145 PolarHBondContact NH1-OD1 3.44Å; D141-N145 WeakPolarHBondContact O-CB 3.46Å; D141-N145 VanDerWaalsContact O-CG 3.3Å; D141-N145 PolarHBondContact O-N 2.99Å; D141-N145 PolarHBondContact O-ND2 2.64Å; D142-N145 PolarHBondContact O-N 3.29Å; N145-V148 PolarHBondContact O-N 3.31Å; N145-E149 PolarHBondContact O-N 2.98Å |
| 146 | R | 98.2 | Very high | 97.2 | Very high | 127 Ų | 127 | 80.1 Ų | 80.1 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 177.9 | -170.8 | 57.3 | 171.4 | 170.3 | 0.7 | 112.6 | D142 V143 I144 E149 L150 | D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 PolarHBondContact O-N 2.9Å; V143-R146 PolarHBondContact O-N 3.42Å; I144-R146 VanDerWaalsContact C-N 3.27Å; I144-R146 PolarHBondContact O-N 2.78Å; R146-E149 IonicContact CZ-OE2 3.52Å; R146-E149 IonicContact NH1-OE1 3.85Å; R146-E149 PolarHBondContact NH1-OE1 3.39Å; R146-E149 IonicContact NH1-OE2 2.94Å; R146-E149 PolarHBondContact NH1-OE2 3.44Å; R146-E149 PolarHBondContact O-N 2.93Å; R146-L150 HydrophobicContact CG-CD1 3.89Å; R146-L150 HydrophobicContact CG-CG 4.35Å; R146-L150 WeakPolarHBondContact O-CB 3.48Å; R146-L150 VanDerWaalsContact O-CG 3.27Å; R146-L150 WeakPolarHBondContact O-CG 3.17Å; R146-L150 PolarHBondContact O-N 3.11Å |
| 147 | I | 98.1 | Very high | 97.2 | Very high | 48 Ų | 48 | 77.7 Ų | 77.7 | 25% | 0.246 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 173.9 | -69 | 163.9 | 0 | 0 | 0 | 109.8 | V128 V143 I144 E149 L150 T151 | V128-I147 HydrophobicContact CG1-CB 4.29Å; V128-I147 HydrophobicContact CG1-CD1 4.3Å; V128-I147 HydrophobicContact CG1-CG2 3.89Å; V128-I147 HydrophobicContact CG2-CG2 3.83Å; V143-I147 HydrophobicContact CG1-CD1 3.96Å; V143-I147 HydrophobicContact CG1-CG1 4.48Å; V143-I147 VanDerWaalsContact O-CG1 3.28Å; V143-I147 WeakPolarHBondContact O-CG1 3.27Å; V143-I147 PolarHBondContact O-N 2.89Å; I144-I147 PolarHBondContact O-N 2.98Å; I147-E149 VanDerWaalsContact C-N 3.32Å; I147-E149 PolarHBondContact O-N 3.35Å; I147-L150 PolarHBondContact O-N 2.97Å; I147-T151 HydrophobicContact CG2-CG2 4.24Å; I147-T151 WeakPolarHBondContact O-CB 3.16Å; I147-T151 WeakPolarHBondContact O-CG2 3.31Å; I147-T151 PolarHBondContact O-N 3.22Å; I147-T151 PolarHBondContact O-OG1 2.92Å |
| 148 | V | 98.3 | Very high | 97.1 | Very high | 31 Ų | 31 | 80.3 Ų | 80.3 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 179.6 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | P124 R125 V128 I144 N145 S152 | P124-V148 HydrophobicContact CB-CG1 4.1Å; P124-V148 HydrophobicContact CB-CG2 4.5Å; P124-V148 HydrophobicContact CG-CG1 3.88Å; R125-V148 HydrophobicContact CB-CG2 4.07Å; V128-V148 HydrophobicContact CB-CG2 4.49Å; V128-V148 HydrophobicContact CG2-CG2 4.07Å; I144-V148 WeakPolarHBondContact O-CG2 3.36Å; I144-V148 PolarHBondContact O-N 3.42Å; N145-V148 PolarHBondContact O-N 3.31Å; V148-S152 PolarHBondContact O-N 3.35Å; V148-S152 VanDerWaalsContact O-N 3.11Å |
| 149 | E | 97.9 | Very high | 97.2 | Very high | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 178.1 | -172.7 | -163.4 | 164.2 | 0 | 0 | 112.2 | N145 R146 I147 T151 S152 S155 | N145-E149 PolarHBondContact O-N 2.98Å; R146-E149 IonicContact CZ-OE2 3.52Å; R146-E149 IonicContact NH1-OE1 3.85Å; R146-E149 PolarHBondContact NH1-OE1 3.39Å; R146-E149 IonicContact NH1-OE2 2.94Å; R146-E149 PolarHBondContact NH1-OE2 3.44Å; R146-E149 PolarHBondContact O-N 2.93Å; I147-E149 VanDerWaalsContact C-N 3.32Å; I147-E149 PolarHBondContact O-N 3.35Å; E149-T151 VanDerWaalsContact C-N 3.32Å; E149-T151 PolarHBondContact O-N 2.89Å; E149-S152 WeakPolarHBondContact O-CB 3.22Å; E149-S152 PolarHBondContact O-N 2.61Å; E149-S152 PolarHBondContact O-OG 3.38Å; E149-S155 VanDerWaalsContact O-CB 3.32Å; E149-S155 WeakPolarHBondContact O-CB 3.5Å; E149-S155 PolarHBondContact O-OG 2.62Å |
| 150 | L | 97.9 | Very high | 97.1 | Very high | 85 Ų | 85 | 78.4 Ų | 78.4 | 45% | 0.445 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.8 | -28.4 | -176.9 | -70.2 | 176 | 0 | 0 | 0 | 113.1 | R146 I147 S155 | R146-L150 HydrophobicContact CG-CD1 3.89Å; R146-L150 HydrophobicContact CG-CG 4.35Å; R146-L150 WeakPolarHBondContact O-CB 3.48Å; R146-L150 VanDerWaalsContact O-CG 3.27Å; R146-L150 WeakPolarHBondContact O-CG 3.17Å; R146-L150 PolarHBondContact O-N 3.11Å; I147-L150 PolarHBondContact O-N 2.97Å; L150-S155 WeakPolarHBondContact O-CB 3.47Å |
| 151 | T | 97.5 | Very high | 96.8 | Very high | 72 Ų | 72 | 82.3 Ų | 82.3 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 4.7 | 176.8 | 61 | 0 | 0 | 0 | 0 | 113.3 | I147 E149 M156 | I147-T151 HydrophobicContact CG2-CG2 4.24Å; I147-T151 WeakPolarHBondContact O-CB 3.16Å; I147-T151 WeakPolarHBondContact O-CG2 3.31Å; I147-T151 PolarHBondContact O-N 3.22Å; I147-T151 PolarHBondContact O-OG1 2.92Å; E149-T151 VanDerWaalsContact C-N 3.32Å; E149-T151 PolarHBondContact O-N 2.89Å; T151-M156 VanDerWaalsContact O-SD 3.39Å |
| 152 | S | 97.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 78.5 Ų | 78.5 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -63.8 | 150.7 | 171.3 | 75.5 | 0 | 0 | 0 | 0 | 111.1 | V148 E149 K154 S155 M156 | V148-S152 PolarHBondContact O-N 3.35Å; V148-S152 VanDerWaalsContact O-N 3.11Å; E149-S152 WeakPolarHBondContact O-CB 3.22Å; E149-S152 PolarHBondContact O-N 2.61Å; E149-S152 PolarHBondContact O-OG 3.38Å; S152-K154 VanDerWaalsContact C-N 3.26Å; S152-K154 PolarHBondContact O-N 3.05Å; S152-S155 PolarHBondContact O-N 3.06Å; S152-S155 VanDerWaalsContact O-N 3.13Å; S152-S155 WeakPolarHBondContact OG-CB 3.24Å; S152-S155 PolarHBondContact OG-N 3.43Å; S152-S155 PolarHBondContact OG-OG 3.48Å; S152-M156 WeakPolarHBondContact O-CG 3.34Å; S152-M156 PolarHBondContact O-N 3.3Å |
| 153 | F | 96.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 73.7 Ų | 73.7 | 25% | 0.254 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.5 | -41.6 | -179.5 | -178.9 | -104.3 | 0 | 0 | 0 | 112.3 | M156 K157 M180 K182 | F153-M156 PolarHBondContact O-N 2.87Å; F153-K157 HydrophobicContact CE1-CD 3.84Å; F153-K157 HydrophobicContact CZ-CD 3.95Å; F153-K157 WeakPolarHBondContact O-CB 3.42Å; F153-K157 PolarHBondContact O-N 3.46Å; F153-M180 HydrophobicContact CE2-CB 4.14Å; F153-M180 HydrophobicContact CE2-SD 4.36Å; F153-M180 HydrophobicContact CZ-CB 4.46Å; F153-K182 WeakPolarHBondContact CE1-O 3.44Å; F153-K182 VanDerWaalsContact CZ-C 3.43Å; F153-K182 WeakPolarHBondContact CZ-O 3.32Å |
| 154 | K | 96.7 | Very high | 96.1 | Very high | 175 Ų | 175 | 72 Ų | 72 | 76% | 0.761 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.3 | -50.6 | 176.5 | -176.9 | -176.8 | 177.1 | -175.5 | 0 | 111.2 | S152 | S152-K154 VanDerWaalsContact C-N 3.26Å; S152-K154 PolarHBondContact O-N 3.05Å |
| 155 | S | 97.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 74.6 Ų | 74.6 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | E149 L150 S152 N159 | E149-S155 VanDerWaalsContact O-CB 3.32Å; E149-S155 WeakPolarHBondContact O-CB 3.5Å; E149-S155 PolarHBondContact O-OG 2.62Å; L150-S155 WeakPolarHBondContact O-CB 3.47Å; S152-S155 PolarHBondContact O-N 3.06Å; S152-S155 VanDerWaalsContact O-N 3.13Å; S152-S155 WeakPolarHBondContact OG-CB 3.24Å; S152-S155 PolarHBondContact OG-N 3.43Å; S152-S155 PolarHBondContact OG-OG 3.48Å; S155-N159 WeakPolarHBondContact O-CB 3.36Å; S155-N159 PolarHBondContact O-N 2.8Å |
| 156 | M | 97.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 74.5 Ų | 74.5 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.9 | -33.8 | -178.2 | -69.1 | -172.1 | 74.4 | 0 | 0 | 113.1 | T151 S152 F153 E158 N159 A162 M180 | T151-M156 VanDerWaalsContact O-SD 3.39Å; S152-M156 WeakPolarHBondContact O-CG 3.34Å; S152-M156 PolarHBondContact O-N 3.3Å; F153-M156 PolarHBondContact O-N 2.87Å; M156-E158 VanDerWaalsContact C-N 3.28Å; M156-E158 PolarHBondContact O-N 3.38Å; M156-N159 PolarHBondContact O-N 3.16Å; M156-A162 HydrophobicContact CB-CB 4.32Å; M156-A162 HydrophobicContact CE-CB 3.85Å; M156-M180 HydrophobicContact CB-CE 3.99Å; M156-M180 HydrophobicContact CB-SD 4.41Å; M156-M180 HydrophobicContact CE-CE 3.81Å |
| 157 | K | 96.1 | Very high | 95 | Very high | 82 Ų | 82 | 70 Ų | 70 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 178.2 | -175.1 | 168.4 | -176.1 | 170.7 | 0 | 112.2 | F153 N163 M180 | F153-K157 HydrophobicContact CE1-CD 3.84Å; F153-K157 HydrophobicContact CZ-CD 3.95Å; F153-K157 WeakPolarHBondContact O-CB 3.42Å; F153-K157 PolarHBondContact O-N 3.46Å; K157-N163 WeakPolarHBondContact O-CB 3.39Å; K157-N163 PolarHBondContact O-ND2 2.9Å; K157-M180 HydrophobicContact CB-CB 4.08Å; K157-M180 HydrophobicContact CG-CB 3.96Å |
| 158 | E | 95.4 | Very high | 94.7 | Very high | 148 Ų | 148 | 71.6 Ų | 71.6 | 69% | 0.692 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.5 | 177.6 | -59.4 | -56.5 | 146.9 | 0 | 0 | 113.4 | M156 P160 | M156-E158 VanDerWaalsContact C-N 3.28Å; M156-E158 PolarHBondContact O-N 3.38Å; E158-P160 WeakPolarHBondContact O-CD 3.47Å |
| 159 | N | 95.5 | Very high | 94.4 | Very high | 63 Ų | 63 | 74 Ų | 74 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | trans | -91.2 | 113.8 | -175.3 | -176.5 | -10.4 | 0 | 0 | 0 | 112 | S155 M156 M161 A162 N163 | S155-N159 WeakPolarHBondContact O-CB 3.36Å; S155-N159 PolarHBondContact O-N 2.8Å; M156-N159 PolarHBondContact O-N 3.16Å; N159-M161 PolarHBondContact O-N 3.34Å; N159-M161 VanDerWaalsContact O-N 3.1Å; N159-M161 WeakPolarHBondContact OD1-CB 3.34Å; N159-M161 PolarHBondContact OD1-N 3.01Å; N159-A162 HydrophobicContact CB-CB 4.19Å; N159-A162 PolarHBondContact O-N 3.23Å; N159-N163 PolarHBondContact O-N 3.41Å; N159-N163 PolarHBondContact O-OD1 3.17Å | ||
| 160 | P | 93.3 | Very high | 94.1 | Very high | 75 Ų | 75 | 74.4 Ų | 74.4 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.6 | 179.7 | -24.2 | 35.8 | 0 | 0 | 0 | 114.7 | E158 A162 N163 | E158-P160 WeakPolarHBondContact O-CD 3.47Å; P160-A162 VanDerWaalsContact C-N 3.28Å; P160-N163 WeakPolarHBondContact CA-OD1 3.32Å |
| 161 | M | 90.9 | Very high | 93.9 | Very high | 144 Ų | 144 | 72.3 Ų | 72.3 | 71% | 0.709 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.4 | 177.1 | -60.1 | -176.1 | 66.6 | 0 | 0 | 113.1 | N159 | N159-M161 PolarHBondContact O-N 3.34Å; N159-M161 VanDerWaalsContact O-N 3.1Å; N159-M161 WeakPolarHBondContact OD1-CB 3.34Å; N159-M161 PolarHBondContact OD1-N 3.01Å |
| 162 | A | 91.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 69 Ų | 69 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -32.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M156 N159 P160 Y164 M180 | M156-A162 HydrophobicContact CB-CB 4.32Å; M156-A162 HydrophobicContact CE-CB 3.85Å; N159-A162 HydrophobicContact CB-CB 4.19Å; N159-A162 PolarHBondContact O-N 3.23Å; P160-A162 VanDerWaalsContact C-N 3.28Å; A162-Y164 VanDerWaalsContact C-N 3.29Å; A162-Y164 WeakPolarHBondContact O-CD2 3.44Å; A162-Y164 PolarHBondContact O-N 2.96Å; A162-M180 HydrophobicContact CB-CE 4.26Å; A162-M180 WeakPolarHBondContact O-CE 3.37Å |
| 163 | N | 92.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 69 Ų | 69 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -85.3 | 5.8 | -175.3 | 70.8 | 9.6 | 0 | 0 | 0 | 114.5 | K157 N159 P160 S165 Q174 M180 | K157-N163 WeakPolarHBondContact O-CB 3.39Å; K157-N163 PolarHBondContact O-ND2 2.9Å; N159-N163 PolarHBondContact O-N 3.41Å; N159-N163 PolarHBondContact O-OD1 3.17Å; P160-N163 WeakPolarHBondContact CA-OD1 3.32Å; N163-S165 PolarHBondContact O-N 3.11Å; N163-S165 WeakPolarHBondContact OD1-CB 3.42Å; N163-S165 PolarHBondContact OD1-N 3.46Å; N163-S165 PolarHBondContact OD1-OG 3.35Å; N163-Q174 PolarHBondContact O-NE2 3.16Å; N163-Q174 PolarHBondContact O-OE1 3.02Å; N163-M180 HydrophobicContact CB-CG 3.87Å |
| 164 | Y | 92.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 68.6 Ų | 68.6 | 11% | 0.114 | 38% | 0.38 | C | S | . | . | trans | 60.8 | 19.9 | 179.5 | -75.3 | -109.9 | 0 | 0 | 0 | 114.6 | K30 A162 C166 I167 F172 Q174 F179 | K30-Y164 PolarHBondContact NZ-OH 2.64Å; A162-Y164 VanDerWaalsContact C-N 3.29Å; A162-Y164 WeakPolarHBondContact O-CD2 3.44Å; A162-Y164 PolarHBondContact O-N 2.96Å; Y164-C166 PolarHBondContact O-N 3.27Å; Y164-C166 VanDerWaalsContact O-N 3.16Å; Y164-I167 HydrophobicContact CD1-CD1 4.4Å; Y164-I167 HydrophobicContact CD1-CG1 3.68Å; Y164-I167 HydrophobicContact CG-CG1 4.38Å; Y164-I167 WeakPolarHBondContact O-CB 3.27Å; Y164-I167 PolarHBondContact O-N 3.36Å; Y164-F172 HydrophobicContact CD1-CD2 4.17Å; Y164-F172 AromaticContact CD1-CE2 3.56Å; Y164-F172 HydrophobicContact CD1-CE2 3.56Å; Y164-F172 HydrophobicContact CE1-CE2 4.19Å; Y164-F172 HydrophobicContact CG-CE2 4.24Å; Y164-Q174 PolarHBondContact O-NE2 2.91Å; Y164-F179 AromaticContact CD2-CD1 3.39Å; Y164-F179 HydrophobicContact CD2-CD1 3.39Å; Y164-F179 HydrophobicContact CD2-CD2 4.09Å; Y164-F179 AromaticContact CD2-CE1 3.24Å; Y164-F179 HydrophobicContact CD2-CE1 3.24Å; Y164-F179 AromaticContact CD2-CE2 3.96Å; Y164-F179 HydrophobicContact CD2-CE2 3.96Å; Y164-F179 AromaticContact CD2-CG 3.83Å; Y164-F179 HydrophobicContact CD2-CG 3.83Å; Y164-F179 AromaticContact CD2-CZ 3.55Å; Y164-F179 HydrophobicContact CD2-CZ 3.55Å; Y164-F179 HydrophobicContact CE2-CD1 4.03Å; Y164-F179 AromaticContact CE2-CE1 3.36Å; Y164-F179 HydrophobicContact CE2-CE1 3.36Å; Y164-F179 HydrophobicContact CE2-CE2 4.02Å; Y164-F179 AromaticContact CE2-CZ 3.36Å; Y164-F179 HydrophobicContact CE2-CZ 3.36Å; Y164-F179 HydrophobicContact CG-CD1 4.07Å; Y164-F179 HydrophobicContact CG-CD2 4.12Å; Y164-F179 HydrophobicContact CG-CE1 4.2Å; Y164-F179 HydrophobicContact CG-CE2 4.24Å; Y164-F179 HydrophobicContact CG-CG 4.04Å; Y164-F179 HydrophobicContact CG-CZ 4.28Å; Y164-F179 AromaticContact CZ-CZ 3.93Å | ||
| 165 | S | 90.9 | Very high | 93.5 | Very high | 66 Ų | 66 | 65.4 Ų | 65.4 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.7 | 175.4 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | N163 I167 | N163-S165 PolarHBondContact O-N 3.11Å; N163-S165 WeakPolarHBondContact OD1-CB 3.42Å; N163-S165 PolarHBondContact OD1-N 3.46Å; N163-S165 PolarHBondContact OD1-OG 3.35Å; S165-I167 VanDerWaalsContact C-N 3.28Å |
| 166 | C | 90.3 | Very high | 93.5 | Very high | 77 Ų | 77 | 67.3 Ų | 67.3 | 52% | 0.52 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.1 | 173.1 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | Y164 | Y164-C166 PolarHBondContact O-N 3.27Å; Y164-C166 VanDerWaalsContact O-N 3.16Å |
| 167 | I | 89.8 | Confident | 93.4 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 17% | 0.169 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -81.9 | 127.9 | 176.3 | -57.3 | -51.7 | 0 | 0 | 0 | 109.2 | W3 Y164 S165 V171 F172 | W3-I167 HydrophobicContact CZ3-CD1 4.47Å; Y164-I167 HydrophobicContact CD1-CD1 4.4Å; Y164-I167 HydrophobicContact CD1-CG1 3.68Å; Y164-I167 HydrophobicContact CG-CG1 4.38Å; Y164-I167 WeakPolarHBondContact O-CB 3.27Å; Y164-I167 PolarHBondContact O-N 3.36Å; S165-I167 VanDerWaalsContact C-N 3.28Å; I167-V171 HydrophobicContact CG2-CB 3.69Å; I167-V171 HydrophobicContact CG2-CG1 3.56Å; I167-F172 HydrophobicContact CB-CB 4.19Å; I167-F172 HydrophobicContact CB-CD2 3.88Å; I167-F172 HydrophobicContact CB-CG 4.22Å; I167-F172 HydrophobicContact CG1-CD2 4Å; I167-F172 HydrophobicContact CG1-CE2 4.24Å; I167-F172 HydrophobicContact CG2-CB 3.76Å; I167-F172 HydrophobicContact CG2-CD1 4.29Å; I167-F172 HydrophobicContact CG2-CD2 3.77Å; I167-F172 HydrophobicContact CG2-CE2 4.4Å; I167-F172 HydrophobicContact CG2-CG 3.69Å |
| 168 | P | 91.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 63.4 Ų | 63.4 | 53% | 0.532 | 37% | 0.373 | S | S | . | . | trans | -61.1 | 147.1 | -179.4 | -24.5 | 34.7 | 0 | 0 | 0 | 113.4 | P170 V171 F172 | P168-P170 VanDerWaalsContact C-CD 3.42Å; P168-P170 VanDerWaalsContact C-N 3.34Å; P168-V171 WeakPolarHBondContact O-CA 3.36Å; P168-V171 WeakPolarHBondContact O-CB 3.36Å; P168-V171 PolarHBondContact O-N 2.9Å; P168-F172 PolarHBondContact O-N 2.83Å | ||
| 169 | S | 91.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 57% | 0.573 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.7 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 115.4 | V171 F172 D173 | S169-V171 PolarHBondContact O-N 3.39Å; S169-V171 VanDerWaalsContact O-N 3.13Å; S169-F172 WeakPolarHBondContact CA-O 3.47Å; S169-F172 CarbonylContact O-C 3.56Å; S169-F172 PolarHBondContact O-N 3.14Å; S169-D173 PolarHBondContact O-N 2.93Å |
| 170 | P | 93 | Very high | 93.5 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 71% | 0.714 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.9 | 173.8 | -25.6 | 36.1 | 0 | 0 | 0 | 114.7 | K71 P168 | K71-P170 WeakPolarHBondContact CB-O 3.21Å; P168-P170 VanDerWaalsContact C-CD 3.42Å; P168-P170 VanDerWaalsContact C-N 3.34Å |
| 171 | V | 93.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 56 Ų | 56 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -58 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | K71 T72 I167 P168 S169 | K71-V171 PolarHBondContact N-O 3.27Å; T72-V171 HydrophobicContact CG2-CB 4.41Å; T72-V171 HydrophobicContact CG2-CG1 3.8Å; I167-V171 HydrophobicContact CG2-CB 3.69Å; I167-V171 HydrophobicContact CG2-CG1 3.56Å; P168-V171 WeakPolarHBondContact O-CA 3.36Å; P168-V171 WeakPolarHBondContact O-CB 3.36Å; P168-V171 PolarHBondContact O-N 2.9Å; S169-V171 PolarHBondContact O-N 3.39Å; S169-V171 VanDerWaalsContact O-N 3.13Å |
| 172 | F | 95.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -122.3 | 101.2 | -176.9 | -79.8 | 6.6 | 0 | 0 | 0 | 111.2 | W3 F66 M69 N70 Y164 I167 P168 S169 Q174 F179 | W3-F172 HydrophobicContact CH2-CE1 4.43Å; W3-F172 HydrophobicContact CH2-CZ 4.18Å; W3-F172 HydrophobicContact CZ2-CZ 4.32Å; F66-F172 HydrophobicContact CE2-CE1 4.06Å; F66-F172 HydrophobicContact CE2-CE2 4.14Å; F66-F172 AromaticContact CE2-CZ 3.69Å; F66-F172 HydrophobicContact CE2-CZ 3.69Å; F66-F172 HydrophobicContact CZ-CE1 4.01Å; F66-F172 AromaticContact CZ-CZ 3.77Å; F66-F172 HydrophobicContact CZ-CZ 3.77Å; M69-F172 HydrophobicContact CE-CB 3.47Å; M69-F172 VanDerWaalsContact CE-CB 3.47Å; M69-F172 HydrophobicContact CE-CD1 4.42Å; M69-F172 HydrophobicContact CE-CD2 4.02Å; M69-F172 HydrophobicContact CE-CG 3.73Å; M69-F172 CarbonylContact O-C 3.58Å; M69-F172 HydrophobicContact SD-CB 4.13Å; M69-F172 HydrophobicContact SD-CD1 3.99Å; M69-F172 HydrophobicContact SD-CD2 4.3Å; M69-F172 HydrophobicContact SD-CG 3.87Å; N70-F172 HydrophobicContact CB-CD1 4.07Å; N70-F172 HydrophobicContact CB-CE1 4.01Å; N70-F172 VanDerWaalsContact CG-CE1 3.45Å; N70-F172 WeakPolarHBondContact OD1-CE1 3.43Å; Y164-F172 HydrophobicContact CD1-CD2 4.17Å; Y164-F172 AromaticContact CD1-CE2 3.56Å; Y164-F172 HydrophobicContact CD1-CE2 3.56Å; Y164-F172 HydrophobicContact CE1-CE2 4.19Å; Y164-F172 HydrophobicContact CG-CE2 4.24Å; I167-F172 HydrophobicContact CB-CB 4.19Å; I167-F172 HydrophobicContact CB-CD2 3.88Å; I167-F172 HydrophobicContact CB-CG 4.22Å; I167-F172 HydrophobicContact CG1-CD2 4Å; I167-F172 HydrophobicContact CG1-CE2 4.24Å; I167-F172 HydrophobicContact CG2-CB 3.76Å; I167-F172 HydrophobicContact CG2-CD1 4.29Å; I167-F172 HydrophobicContact CG2-CD2 3.77Å; I167-F172 HydrophobicContact CG2-CE2 4.4Å; I167-F172 HydrophobicContact CG2-CG 3.69Å; P168-F172 PolarHBondContact O-N 2.83Å; S169-F172 WeakPolarHBondContact CA-O 3.47Å; S169-F172 CarbonylContact O-C 3.56Å; S169-F172 PolarHBondContact O-N 3.14Å; F172-Q174 PolarHBondContact O-N 3.04Å; F172-Q174 VanDerWaalsContact O-N 3.08Å; F172-F179 HydrophobicContact CE2-CD2 4.38Å |
| 173 | D | 95.8 | Very high | 94 | Very high | 42 Ų | 42 | 52.6 Ų | 52.6 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | trans | -83.3 | 82.6 | 174.6 | -170.9 | -7.5 | 0 | 0 | 0 | 111.1 | M69 S169 S175 I176 | M69-D173 VanDerWaalsContact CB-O 3.3Å; M69-D173 WeakPolarHBondContact CB-O 3.34Å; M69-D173 PolarHBondContact O-N 3.37Å; S169-D173 PolarHBondContact O-N 2.93Å; D173-S175 PolarHBondContact O-N 3.26Å; D173-S175 VanDerWaalsContact O-N 3.07Å; D173-S175 WeakPolarHBondContact OD1-CB 3.45Å; D173-S175 PolarHBondContact OD1-N 3.01Å; D173-S175 VanDerWaalsContact OD1-N 3.13Å; D173-S175 PolarHBondContact OD1-OG 3.17Å; D173-I176 HydrophobicContact CB-CD1 4.04Å; D173-I176 HydrophobicContact CB-CG1 4.34Å; D173-I176 PolarHBondContact O-N 3.19Å; D173-I176 VanDerWaalsContact O-N 3.15Å; D173-I176 WeakPolarHBondContact OD2-CD1 3.36Å | ||
| 174 | Q | 93.7 | Very high | 94.1 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.8 | -179.2 | -58.8 | -141.7 | 42.7 | 0 | 0 | 114.2 | M69 N163 Y164 F172 I176 S177 | M69-Q174 HydrophobicContact CE-CB 4.45Å; M69-Q174 HydrophobicContact CE-CG 3.66Å; N163-Q174 PolarHBondContact O-NE2 3.16Å; N163-Q174 PolarHBondContact O-OE1 3.02Å; Y164-Q174 PolarHBondContact O-NE2 2.91Å; F172-Q174 PolarHBondContact O-N 3.04Å; F172-Q174 VanDerWaalsContact O-N 3.08Å; Q174-I176 VanDerWaalsContact C-N 3.33Å; Q174-S177 WeakPolarHBondContact CA-O 3.39Å; Q174-S177 CarbonylContact O-C 3.4Å |
| 175 | S | 95.6 | Very high | 94.3 | Very high | 108 Ų | 108 | 56.7 Ų | 56.7 | 76% | 0.755 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -27.7 | 174.7 | 77.8 | 0 | 0 | 0 | 0 | 112.4 | D173 | D173-S175 PolarHBondContact O-N 3.26Å; D173-S175 VanDerWaalsContact O-N 3.07Å; D173-S175 WeakPolarHBondContact OD1-CB 3.45Å; D173-S175 PolarHBondContact OD1-N 3.01Å; D173-S175 VanDerWaalsContact OD1-N 3.13Å; D173-S175 PolarHBondContact OD1-OG 3.17Å |
| 176 | I | 95.7 | Very high | 94.6 | Very high | 78 Ų | 78 | 54.1 Ų | 54.1 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -50.1 | 174.5 | -61.9 | 174.6 | 0 | 0 | 0 | 110.2 | L68 D173 Q174 | L68-I176 HydrophobicContact CB-CG2 3.89Å; D173-I176 HydrophobicContact CB-CD1 4.04Å; D173-I176 HydrophobicContact CB-CG1 4.34Å; D173-I176 PolarHBondContact O-N 3.19Å; D173-I176 VanDerWaalsContact O-N 3.15Å; D173-I176 WeakPolarHBondContact OD2-CD1 3.36Å; Q174-I176 VanDerWaalsContact C-N 3.33Å |
| 177 | S | 96.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -152.6 | 126.3 | 173.9 | -154.9 | 0 | 0 | 0 | 0 | 110 | Y65 M69 Q174 | Y65-S177 WeakPolarHBondContact O-CB 3.45Å; M69-S177 WeakPolarHBondContact CB-O 3.36Å; M69-S177 WeakPolarHBondContact CG-O 3.47Å; Q174-S177 WeakPolarHBondContact CA-O 3.39Å; Q174-S177 CarbonylContact O-C 3.4Å |
| 178 | P | 96.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | trans | -70.2 | 144.3 | 177.6 | 27.8 | -32.7 | 0 | 0 | 0 | 110.5 | M180 R181 | P178-M180 VanDerWaalsContact C-N 3.29Å; P178-M180 PolarHBondContact O-N 3.46Å; P178-R181 PolarHBondContact O-N 2.78Å | ||
| 179 | F | 96.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -57.9 | -44.5 | 177.8 | -178.5 | -93 | 0 | 0 | 0 | 111.2 | F66 Y164 F172 R181 | F66-F179 HydrophobicContact CD2-CD2 4.28Å; F66-F179 HydrophobicContact CD2-CE2 4.38Å; F66-F179 HydrophobicContact CE2-CD2 4.14Å; F66-F179 HydrophobicContact CE2-CE2 4.08Å; Y164-F179 AromaticContact CD2-CD1 3.39Å; Y164-F179 HydrophobicContact CD2-CD1 3.39Å; Y164-F179 HydrophobicContact CD2-CD2 4.09Å; Y164-F179 AromaticContact CD2-CE1 3.24Å; Y164-F179 HydrophobicContact CD2-CE1 3.24Å; Y164-F179 AromaticContact CD2-CE2 3.96Å; Y164-F179 HydrophobicContact CD2-CE2 3.96Å; Y164-F179 AromaticContact CD2-CG 3.83Å; Y164-F179 HydrophobicContact CD2-CG 3.83Å; Y164-F179 AromaticContact CD2-CZ 3.55Å; Y164-F179 HydrophobicContact CD2-CZ 3.55Å; Y164-F179 HydrophobicContact CE2-CD1 4.03Å; Y164-F179 AromaticContact CE2-CE1 3.36Å; Y164-F179 HydrophobicContact CE2-CE1 3.36Å; Y164-F179 HydrophobicContact CE2-CE2 4.02Å; Y164-F179 AromaticContact CE2-CZ 3.36Å; Y164-F179 HydrophobicContact CE2-CZ 3.36Å; Y164-F179 HydrophobicContact CG-CD1 4.07Å; Y164-F179 HydrophobicContact CG-CD2 4.12Å; Y164-F179 HydrophobicContact CG-CE1 4.2Å; Y164-F179 HydrophobicContact CG-CE2 4.24Å; Y164-F179 HydrophobicContact CG-CG 4.04Å; Y164-F179 HydrophobicContact CG-CZ 4.28Å; Y164-F179 AromaticContact CZ-CZ 3.93Å; F172-F179 HydrophobicContact CE2-CD2 4.38Å; F179-R181 PolarHBondContact O-N 2.71Å; F179-R181 VanDerWaalsContact O-N 3.14Å |
| 180 | M | 96.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -84.5 | 75.7 | 170.1 | -69.1 | -70.3 | 178.4 | 0 | 0 | 110.5 | F153 M156 K157 A162 N163 P178 | F153-M180 HydrophobicContact CE2-CB 4.14Å; F153-M180 HydrophobicContact CE2-SD 4.36Å; F153-M180 HydrophobicContact CZ-CB 4.46Å; M156-M180 HydrophobicContact CB-CE 3.99Å; M156-M180 HydrophobicContact CB-SD 4.41Å; M156-M180 HydrophobicContact CE-CE 3.81Å; K157-M180 HydrophobicContact CB-CB 4.08Å; K157-M180 HydrophobicContact CG-CB 3.96Å; A162-M180 HydrophobicContact CB-CE 4.26Å; A162-M180 WeakPolarHBondContact O-CE 3.37Å; N163-M180 HydrophobicContact CB-CG 3.87Å; P178-M180 VanDerWaalsContact C-N 3.29Å; P178-M180 PolarHBondContact O-N 3.46Å |
| 181 | R | 96.6 | Very high | 96 | Very high | 38 Ų | 38 | 50 Ų | 50 | 14% | 0.143 | 26% | 0.263 | C | S | . | . | trans | -69.5 | -83.6 | -170.4 | -165 | -175.1 | 64.6 | 89 | 3.7 | 114.8 | P178 F179 D187 | P178-R181 PolarHBondContact O-N 2.78Å; F179-R181 PolarHBondContact O-N 2.71Å; F179-R181 VanDerWaalsContact O-N 3.14Å; R181-D187 IonicContact CZ-OD2 2.79Å; R181-D187 IonicContact NH1-OD2 3.21Å; R181-D187 PolarHBondContact NH1-OD2 2.74Å; R181-D187 IonicContact NH2-OD2 2.73Å; R181-D187 PolarHBondContact NH2-OD2 3.33Å | ||
| 182 | K | 96 | Very high | 96.2 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | trans | -116.6 | -37.9 | -177.5 | -69.8 | -162.1 | -175.2 | -176.2 | 0 | 114.5 | F153 E184 D187 | F153-K182 WeakPolarHBondContact CE1-O 3.44Å; F153-K182 VanDerWaalsContact CZ-C 3.43Å; F153-K182 WeakPolarHBondContact CZ-O 3.32Å; K182-E184 VanDerWaalsContact C-N 3.32Å; K182-E184 PolarHBondContact O-N 3.44Å; K182-D187 HydrophobicContact CD-CB 4.43Å; K182-D187 WeakPolarHBondContact CD-OD1 3.46Å; K182-D187 WeakPolarHBondContact CD-OD2 3.44Å; K182-D187 WeakPolarHBondContact CE-OD1 3.49Å; K182-D187 IonicContact NZ-OD1 2.67Å; K182-D187 PolarHBondContact NZ-OD1 3.13Å; K182-D187 IonicContact NZ-OD2 3.06Å | ||
| 183 | G | 94.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | trans | 67.4 | 29.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y117 K121 | Y117-G183 WeakPolarHBondContact OH-CA 3.37Å; Y117-G183 PolarHBondContact OH-O 2.98Å; K121-G183 WeakPolarHBondContact CE-O 3.21Å; K121-G183 PolarHBondContact NZ-O 2.97Å | ||
| 184 | E | 94.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 54.2 Ų | 54.2 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | trans | -119.2 | 161.4 | -174.2 | -71 | 169.3 | 173.1 | 0 | 0 | 111.9 | R54 K182 | R54-E184 PolarHBondContact NH2-O 2.88Å; K182-E184 VanDerWaalsContact C-N 3.32Å; K182-E184 PolarHBondContact O-N 3.44Å | ||
| 185 | V | 96.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 58.2 Ų | 58.2 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -104.3 | 135.6 | 171.8 | 178.7 | 0 | 0 | 0 | 0 | 108 | Y117 E118 K121 I219 | Y117-V185 HydrophobicContact CD1-CG2 3.99Å; Y117-V185 HydrophobicContact CE1-CG2 3.79Å; E118-V185 HydrophobicContact CB-CG2 4.44Å; E118-V185 HydrophobicContact CG-CG1 3.77Å; E118-V185 HydrophobicContact CG-CG2 4.05Å; K121-V185 HydrophobicContact CB-CG2 4Å; K121-V185 HydrophobicContact CG-CG2 4Å; V185-I219 HydrophobicContact CB-CD1 4.05Å; V185-I219 HydrophobicContact CB-CG1 4.44Å; V185-I219 HydrophobicContact CG1-CD1 4.33Å; V185-I219 HydrophobicContact CG1-CG1 4.23Å; V185-I219 HydrophobicContact CG2-CD1 3.85Å |
| 186 | G | 96.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 88.8 | 8.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D58 W188 K189 | D58-G186 PolarHBondContact OD1-N 3.19Å; D58-G186 PolarHBondContact OD2-N 3.46Å; G186-W188 PolarHBondContact O-N 2.83Å; G186-K189 PolarHBondContact O-N 2.73Å |
| 187 | D | 96.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -61.7 | -25.8 | 177.9 | -177.1 | 50.3 | 0 | 0 | 0 | 111.7 | D58 R181 K182 K189 N190 H191 | D58-D187 PolarHBondContact OD1-N 3.43Å; R181-D187 IonicContact CZ-OD2 2.79Å; R181-D187 IonicContact NH1-OD2 3.21Å; R181-D187 PolarHBondContact NH1-OD2 2.74Å; R181-D187 IonicContact NH2-OD2 2.73Å; R181-D187 PolarHBondContact NH2-OD2 3.33Å; K182-D187 HydrophobicContact CD-CB 4.43Å; K182-D187 WeakPolarHBondContact CD-OD1 3.46Å; K182-D187 WeakPolarHBondContact CD-OD2 3.44Å; K182-D187 WeakPolarHBondContact CE-OD1 3.49Å; K182-D187 IonicContact NZ-OD1 2.67Å; K182-D187 PolarHBondContact NZ-OD1 3.13Å; K182-D187 IonicContact NZ-OD2 3.06Å; D187-K189 PolarHBondContact O-N 3.06Å; D187-N190 WeakPolarHBondContact O-CB 3.32Å; D187-N190 PolarHBondContact O-N 2.96Å; D187-N190 PolarHBondContact O-ND2 3.43Å; D187-N190 PolarHBondContact OD1-ND2 3.26Å; D187-H191 PolarHBondContact O-CD2 3.17Å; D187-H191 IonicContact OD1-NE2 3.99Å; D187-H191 IonicContact OD2-CD2 3.26Å; D187-H191 IonicContact OD2-NE2 3.64Å; D187-H191 PolarHBondContact OD2-NE2 3.02Å |
| 188 | W | 97.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 10% | 0.095 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -49.5 | -30.9 | 176 | 69.3 | -96.7 | 0 | 0 | 0 | 114.3 | K57 D58 V61 G186 N190 H191 F192 S197 S217 | K57-W188 HydrophobicContact CB-CB 3.66Å; K57-W188 HydrophobicContact CB-CD2 3.8Å; K57-W188 HydrophobicContact CB-CE3 4.29Å; K57-W188 HydrophobicContact CB-CG 3.51Å; K57-W188 HydrophobicContact CD-CD2 3.72Å; K57-W188 HydrophobicContact CD-CE3 3.59Å; K57-W188 HydrophobicContact CD-CG 4.37Å; K57-W188 HydrophobicContact CD-CH2 4.03Å; K57-W188 HydrophobicContact CD-CZ2 4.15Å; K57-W188 HydrophobicContact CD-CZ3 3.76Å; K57-W188 HydrophobicContact CG-CD2 4.4Å; D58-W188 PolarHBondContact OD1-N 3.24Å; V61-W188 HydrophobicContact CG2-CB 4.05Å; G186-W188 PolarHBondContact O-N 2.83Å; W188-N190 PolarHBondContact O-N 3.25Å; W188-H191 PolarHBondContact O-N 3.23Å; W188-F192 HydrophobicContact CB-CD2 4.11Å; W188-F192 HydrophobicContact CB-CE2 4.17Å; W188-F192 HydrophobicContact CE3-CB 4.21Å; W188-F192 HydrophobicContact CE3-CD2 4.24Å; W188-F192 HydrophobicContact CE3-CG 4.22Å; W188-F192 WeakPolarHBondContact O-CD2 3.3Å; W188-F192 PolarHBondContact O-N 3.07Å; W188-S197 WeakPolarHBondContact CZ3-OG 3.44Å; W188-S217 PolarHBondContact NE1-O 2.78Å |
| 189 | K | 96.3 | Very high | 97 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -61.1 | -23.9 | 176.7 | -70.6 | 179 | 167.7 | 174.5 | 0 | 114 | G186 D187 H191 L218 | G186-K189 PolarHBondContact O-N 2.73Å; D187-K189 PolarHBondContact O-N 3.06Å; K189-H191 VanDerWaalsContact C-N 3.28Å; K189-L218 HydrophobicContact CD-CD2 4.35Å; K189-L218 VanDerWaalsContact CE-CD2 3.49Å |
| 190 | N | 97.3 | Very high | 97 | Very high | 116 Ų | 116 | 54.7 Ų | 54.7 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -81.6 | -7.9 | 178 | -60.4 | -47.4 | 0 | 0 | 0 | 112.9 | D187 W188 | D187-N190 WeakPolarHBondContact O-CB 3.32Å; D187-N190 PolarHBondContact O-N 2.96Å; D187-N190 PolarHBondContact O-ND2 3.43Å; D187-N190 PolarHBondContact OD1-ND2 3.26Å; W188-N190 PolarHBondContact O-N 3.25Å |
| 191 | H | 97.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -34.2 | -173.3 | -55 | -85 | 0 | 0 | 0 | 113.1 | V61 Y65 F79 D187 W188 K189 | V61-H191 VanDerWaalsContact CG1-CD2 3.42Å; V61-H191 WeakPolarHBondContact CG1-CD2 3.34Å; V61-H191 HydrophobicContact CG2-CB 4.04Å; Y65-H191 AromaticContact CE2-CE1 3.44Å; Y65-H191 VanDerWaalsContact CE2-CE1 3.44Å; Y65-H191 WeakPolarHBondContact CE2-CE1 3.29Å; Y65-H191 AromaticContact CE2-ND1 3.81Å; Y65-H191 AromaticContact CZ-CE1 3.74Å; Y65-H191 PolarHBondContact OH-CE1 3.33Å; Y65-H191 PolarHBondContact OH-ND1 2.84Å; F79-H191 HydrophobicContact CE1-CB 3.81Å; F79-H191 WeakPolarHBondContact CE1-O 3.47Å; F79-H191 HydrophobicContact CE2-CB 4.47Å; F79-H191 HydrophobicContact CZ-CB 3.78Å; D187-H191 PolarHBondContact O-CD2 3.17Å; D187-H191 IonicContact OD1-NE2 3.99Å; D187-H191 IonicContact OD2-CD2 3.26Å; D187-H191 IonicContact OD2-NE2 3.64Å; D187-H191 PolarHBondContact OD2-NE2 3.02Å; W188-H191 PolarHBondContact O-N 3.23Å; K189-H191 VanDerWaalsContact C-N 3.28Å |
| 192 | F | 97.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -81.6 | 134.6 | -179.9 | -79.5 | -111.3 | 0 | 0 | 0 | 111.1 | K57 L60 V61 F79 I83 W188 Q196 F200 | K57-F192 HydrophobicContact CB-CE2 4.32Å; K57-F192 HydrophobicContact CB-CZ 4.31Å; K57-F192 HydrophobicContact CG-CE1 4.49Å; K57-F192 HydrophobicContact CG-CZ 4.24Å; L60-F192 HydrophobicContact CD1-CZ 3.96Å; L60-F192 HydrophobicContact CD2-CE2 4.3Å; L60-F192 HydrophobicContact CD2-CZ 4.14Å; V61-F192 HydrophobicContact CG2-CD2 4.27Å; V61-F192 HydrophobicContact CG2-CE2 3.8Å; F79-F192 HydrophobicContact CE1-CD2 4.11Å; F79-F192 HydrophobicContact CE1-CE2 4.23Å; F79-F192 AromaticContact CZ-CD2 3.94Å; F79-F192 HydrophobicContact CZ-CD2 3.94Å; F79-F192 AromaticContact CZ-CE2 3.69Å; F79-F192 HydrophobicContact CZ-CE2 3.69Å; F79-F192 HydrophobicContact CZ-CZ 4.33Å; I83-F192 HydrophobicContact CD1-CD1 4.29Å; I83-F192 HydrophobicContact CD1-CE1 4.01Å; I83-F192 HydrophobicContact CD1-CZ 4.36Å; I83-F192 HydrophobicContact CG1-CE1 4.28Å; I83-F192 HydrophobicContact CG1-CZ 4.28Å; W188-F192 HydrophobicContact CB-CD2 4.11Å; W188-F192 HydrophobicContact CB-CE2 4.17Å; W188-F192 HydrophobicContact CE3-CB 4.21Å; W188-F192 HydrophobicContact CE3-CD2 4.24Å; W188-F192 HydrophobicContact CE3-CG 4.22Å; W188-F192 WeakPolarHBondContact O-CD2 3.3Å; W188-F192 PolarHBondContact O-N 3.07Å; F192-Q196 HydrophobicContact CD1-CB 3.92Å; F192-F200 HydrophobicContact CE1-CB 4.2Å; F192-F200 HydrophobicContact CE1-CD2 4.23Å; F192-F200 HydrophobicContact CE1-CG 4.29Å | ||
| 193 | T | 98.2 | Very high | 97.2 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | trans | -71.3 | 160.3 | 160.2 | 82.3 | 0 | 0 | 0 | 0 | 110.3 | E195 Q196 S197 | T193-E195 WeakPolarHBondContact CB-OE2 3.29Å; T193-E195 PolarHBondContact O-N 3.13Å; T193-E195 PolarHBondContact OG1-N 3.35Å; T193-E195 PolarHBondContact OG1-OE2 3.43Å; T193-Q196 PolarHBondContact O-N 3.34Å; T193-Q196 PolarHBondContact OG1-N 3.06Å; T193-S197 WeakPolarHBondContact O-CB 3.49Å; T193-S197 PolarHBondContact O-N 3.49Å | ||
| 194 | P | 97.6 | Very high | 97.3 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.2 | -38.9 | 173.6 | -27.1 | 36.5 | 0 | 0 | 0 | 113.2 | S197 K198 | P194-S197 PolarHBondContact O-N 2.87Å; P194-K198 WeakPolarHBondContact O-CB 3.49Å; P194-K198 PolarHBondContact O-N 2.81Å |
| 195 | E | 98 | Very high | 97.4 | Very high | 133 Ų | 133 | 60 Ų | 60 | 62% | 0.621 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.6 | -46 | 179.8 | -59 | 69 | -147.1 | 0 | 0 | 111.2 | T193 S197 K198 M199 | T193-E195 WeakPolarHBondContact CB-OE2 3.29Å; T193-E195 PolarHBondContact O-N 3.13Å; T193-E195 PolarHBondContact OG1-N 3.35Å; T193-E195 PolarHBondContact OG1-OE2 3.43Å; E195-S197 VanDerWaalsContact C-N 3.32Å; E195-S197 PolarHBondContact O-N 3.4Å; E195-K198 PolarHBondContact O-N 3.28Å; E195-M199 WeakPolarHBondContact O-CB 3.09Å; E195-M199 PolarHBondContact O-N 3.42Å |
| 196 | Q | 98.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 65.1 Ų | 65.1 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.2 | -72.5 | 173 | -21.9 | 0 | 0 | 111.3 | D80 I83 F192 T193 M199 F200 | D80-Q196 PolarHBondContact OD1-NE2 3.47Å; I83-Q196 HydrophobicContact CD1-CB 4.06Å; I83-Q196 HydrophobicContact CD1-CG 3.97Å; F192-Q196 HydrophobicContact CD1-CB 3.92Å; T193-Q196 PolarHBondContact O-N 3.34Å; T193-Q196 PolarHBondContact OG1-N 3.06Å; Q196-M199 PolarHBondContact O-N 3.04Å; Q196-F200 WeakPolarHBondContact O-CB 3.47Å; Q196-F200 PolarHBondContact O-N 3.48Å |
| 197 | S | 97.7 | Very high | 97.5 | Very high | 20 Ų | 20 | 68 Ų | 68 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | K57 W188 T193 P194 E195 F200 D201 | K57-S197 PolarHBondContact NZ-O 2.8Å; K57-S197 PolarHBondContact NZ-OG 2.99Å; W188-S197 WeakPolarHBondContact CZ3-OG 3.44Å; T193-S197 WeakPolarHBondContact O-CB 3.49Å; T193-S197 PolarHBondContact O-N 3.49Å; P194-S197 PolarHBondContact O-N 2.87Å; E195-S197 VanDerWaalsContact C-N 3.32Å; E195-S197 PolarHBondContact O-N 3.4Å; S197-F200 PolarHBondContact O-N 2.98Å; S197-D201 PolarHBondContact O-N 3.16Å; S197-D201 PolarHBondContact OG-OD2 3.39Å |
| 198 | K | 97.7 | Very high | 97.4 | Very high | 135 Ų | 135 | 68.5 Ų | 68.5 | 59% | 0.587 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.7 | -47.7 | 179.2 | -177.5 | -177.3 | 175 | -171.8 | 0 | 111.7 | P194 E195 F200 D201 E202 | P194-K198 WeakPolarHBondContact O-CB 3.49Å; P194-K198 PolarHBondContact O-N 2.81Å; E195-K198 PolarHBondContact O-N 3.28Å; K198-F200 VanDerWaalsContact C-N 3.27Å; K198-F200 PolarHBondContact O-N 3.01Å; K198-D201 PolarHBondContact O-N 3.19Å; K198-E202 WeakPolarHBondContact CE-OE1 3.44Å; K198-E202 WeakPolarHBondContact O-CG 3.3Å; K198-E202 PolarHBondContact O-N 3.35Å |
| 199 | M | 98 | Very high | 97.3 | Very high | 57 Ų | 57 | 74.8 Ų | 74.8 | 28% | 0.281 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 176.1 | 176.5 | -168.9 | 68.4 | 0 | 0 | 111.5 | I83 H84 M87 E195 Q196 E202 D203 | I83-M199 HydrophobicContact CG2-CE 3.8Å; H84-M199 PolarHBondContact CE1-SD 3.23Å; M87-M199 HydrophobicContact CE-CE 4.44Å; M87-M199 HydrophobicContact CE-CG 4.26Å; M87-M199 HydrophobicContact SD-CE 3.9Å; E195-M199 WeakPolarHBondContact O-CB 3.09Å; E195-M199 PolarHBondContact O-N 3.42Å; Q196-M199 PolarHBondContact O-N 3.04Å; M199-E202 PolarHBondContact O-N 3.32Å; M199-D203 PolarHBondContact O-N 2.87Å |
| 200 | F | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.009 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 178.1 | -168.7 | -78.4 | 0 | 0 | 0 | 111.8 | A56 K57 L60 I83 F86 M87 F192 Q196 S197 K198 D203 Y204 | A56-F200 HydrophobicContact CB-CE1 3.79Å; A56-F200 HydrophobicContact CB-CZ 3.64Å; K57-F200 HydrophobicContact CD-CD1 4.22Å; K57-F200 VanDerWaalsContact CE-CD1 3.42Å; K57-F200 HydrophobicContact CG-CD1 3.71Å; K57-F200 HydrophobicContact CG-CE1 3.75Å; K57-F200 HydrophobicContact CG-CG 4.3Å; K57-F200 HydrophobicContact CG-CZ 4.37Å; L60-F200 HydrophobicContact CD1-CD2 4.17Å; L60-F200 HydrophobicContact CD1-CE2 3.64Å; I83-F200 HydrophobicContact CG2-CD2 4.2Å; F86-F200 HydrophobicContact CD1-CE2 4.01Å; F86-F200 HydrophobicContact CD1-CZ 4.33Å; F86-F200 HydrophobicContact CE1-CE2 4.22Å; F86-F200 HydrophobicContact CE1-CZ 4.08Å; M87-F200 HydrophobicContact CG-CD2 3.88Å; M87-F200 HydrophobicContact CG-CE2 3.93Å; M87-F200 HydrophobicContact SD-CD2 4.15Å; F192-F200 HydrophobicContact CE1-CB 4.2Å; F192-F200 HydrophobicContact CE1-CD2 4.23Å; F192-F200 HydrophobicContact CE1-CG 4.29Å; Q196-F200 WeakPolarHBondContact O-CB 3.47Å; Q196-F200 PolarHBondContact O-N 3.48Å; S197-F200 PolarHBondContact O-N 2.98Å; K198-F200 VanDerWaalsContact C-N 3.27Å; K198-F200 PolarHBondContact O-N 3.01Å; F200-D203 PolarHBondContact O-N 2.91Å; F200-Y204 HydrophobicContact CE1-CD2 4.13Å; F200-Y204 VanDerWaalsContact O-CB 3.29Å; F200-Y204 WeakPolarHBondContact O-CB 3.36Å; F200-Y204 PolarHBondContact O-N 3.1Å |
| 201 | D | 97.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 72 Ų | 72 | 35% | 0.348 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 178.1 | -68.9 | -35 | 0 | 0 | 0 | 111.5 | K57 S197 K198 D203 Y204 E205 | K57-D201 WeakPolarHBondContact CE-OD1 3.32Å; K57-D201 IonicContact NZ-OD1 2.71Å; K57-D201 PolarHBondContact NZ-OD1 3.39Å; K57-D201 IonicContact NZ-OD2 3.71Å; K57-D201 PolarHBondContact NZ-OD2 3.18Å; S197-D201 PolarHBondContact O-N 3.16Å; S197-D201 PolarHBondContact OG-OD2 3.39Å; K198-D201 PolarHBondContact O-N 3.19Å; D201-D203 VanDerWaalsContact C-N 3.34Å; D201-D203 PolarHBondContact O-N 3.42Å; D201-Y204 PolarHBondContact O-N 2.98Å; D201-E205 WeakPolarHBondContact O-CB 3.43Å; D201-E205 WeakPolarHBondContact O-CG 3.42Å; D201-E205 PolarHBondContact O-N 3.4Å |
| 202 | E | 97.6 | Very high | 96.7 | Very high | 89 Ų | 89 | 77 Ų | 77 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -36.7 | 176.6 | -71.2 | 176.1 | -170.9 | 0 | 0 | 113.1 | K198 M199 K206 | K198-E202 WeakPolarHBondContact CE-OE1 3.44Å; K198-E202 WeakPolarHBondContact O-CG 3.3Å; K198-E202 PolarHBondContact O-N 3.35Å; M199-E202 PolarHBondContact O-N 3.32Å; E202-K206 WeakPolarHBondContact O-CD 3.5Å; E202-K206 VanDerWaalsContact O-CG 3.27Å; E202-K206 WeakPolarHBondContact O-CG 3.48Å; E202-K206 PolarHBondContact O-N 2.67Å |
| 203 | D | 97.9 | Very high | 96.5 | Very high | 31 Ų | 31 | 76.6 Ų | 76.6 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.4 | -45.6 | 172.8 | -179.4 | 64.7 | 0 | 0 | 0 | 111.2 | M87 Y97 M199 F200 D201 E205 K206 Q207 | M87-D203 HydrophobicContact CE-CB 3.29Å; Y97-D203 WeakPolarHBondContact CE2-OD2 3.34Å; Y97-D203 PolarHBondContact OH-OD2 2.95Å; M199-D203 PolarHBondContact O-N 2.87Å; F200-D203 PolarHBondContact O-N 2.91Å; D201-D203 VanDerWaalsContact C-N 3.34Å; D201-D203 PolarHBondContact O-N 3.42Å; D203-E205 VanDerWaalsContact C-N 3.34Å; D203-E205 PolarHBondContact O-N 3.18Å; D203-K206 WeakPolarHBondContact O-CB 3.38Å; D203-K206 PolarHBondContact O-N 2.86Å; D203-K206 VanDerWaalsContact O-N 3.09Å; D203-Q207 VanDerWaalsContact O-CG 3.26Å; D203-Q207 WeakPolarHBondContact O-CG 3.46Å; D203-Q207 PolarHBondContact O-N 2.91Å |
| 204 | Y | 97.2 | Very high | 96.4 | Very high | 51 Ų | 51 | 77.3 Ų | 77.3 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56 | -47.7 | 178.9 | -176.4 | -82.7 | 0 | 0 | 0 | 111.6 | A56 W96 Y97 F200 D201 K206 Q207 M208 F215 | A56-Y204 HydrophobicContact CB-CD2 4.21Å; A56-Y204 HydrophobicContact CB-CE2 4.13Å; W96-Y204 AromaticContact CH2-CE2 3.66Å; W96-Y204 HydrophobicContact CH2-CE2 3.66Å; W96-Y204 HydrophobicContact CZ3-CD2 4.17Å; W96-Y204 AromaticContact CZ3-CE2 3.53Å; W96-Y204 HydrophobicContact CZ3-CE2 3.53Å; Y97-Y204 AromaticContact CE1-CD2 3.71Å; Y97-Y204 HydrophobicContact CE1-CD2 3.71Å; Y97-Y204 HydrophobicContact CE1-CE2 4.38Å; Y97-Y204 HydrophobicContact CE1-CG 4.32Å; F200-Y204 HydrophobicContact CE1-CD2 4.13Å; F200-Y204 VanDerWaalsContact O-CB 3.29Å; F200-Y204 WeakPolarHBondContact O-CB 3.36Å; F200-Y204 PolarHBondContact O-N 3.1Å; D201-Y204 PolarHBondContact O-N 2.98Å; Y204-K206 VanDerWaalsContact C-N 3.3Å; Y204-K206 PolarHBondContact O-N 2.89Å; Y204-Q207 PolarHBondContact O-N 3.13Å; Y204-M208 HydrophobicContact CD1-CB 4.33Å; Y204-M208 HydrophobicContact CD1-CG 4.09Å; Y204-M208 HydrophobicContact CD2-CG 4.2Å; Y204-M208 HydrophobicContact CE1-CB 4.03Å; Y204-M208 HydrophobicContact CE1-CG 3.81Å; Y204-M208 HydrophobicContact CE2-CG 3.93Å; Y204-M208 HydrophobicContact CG-CG 4.26Å; Y204-M208 VanDerWaalsContact O-CB 3.25Å; Y204-M208 WeakPolarHBondContact O-CB 3.48Å; Y204-M208 WeakPolarHBondContact O-CG 3.44Å; Y204-M208 PolarHBondContact O-N 3.48Å; Y204-F215 VanDerWaalsContact OH-CD2 3.27Å; Y204-F215 WeakPolarHBondContact OH-CD2 3.33Å |
| 205 | E | 96.3 | Very high | 96.2 | Very high | 138 Ų | 138 | 74 Ų | 74 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.1 | -42.9 | 176.9 | -76.1 | 178.7 | -178.6 | 0 | 0 | 111.7 | D201 D203 K209 | D201-E205 WeakPolarHBondContact O-CB 3.43Å; D201-E205 WeakPolarHBondContact O-CG 3.42Å; D201-E205 PolarHBondContact O-N 3.4Å; D203-E205 VanDerWaalsContact C-N 3.34Å; D203-E205 PolarHBondContact O-N 3.18Å; E205-K209 WeakPolarHBondContact O-CB 3.47Å; E205-K209 PolarHBondContact O-N 3.31Å; E205-K209 VanDerWaalsContact O-N 3.1Å |
| 206 | K | 97 | Very high | 95.7 | Very high | 141 Ų | 141 | 70.6 Ų | 70.6 | 61% | 0.613 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.7 | -43.6 | 177.8 | -68.8 | 167.5 | -168.6 | 167.1 | 0 | 112.1 | E202 D203 Y204 K209 | E202-K206 WeakPolarHBondContact O-CD 3.5Å; E202-K206 VanDerWaalsContact O-CG 3.27Å; E202-K206 WeakPolarHBondContact O-CG 3.48Å; E202-K206 PolarHBondContact O-N 2.67Å; D203-K206 WeakPolarHBondContact O-CB 3.38Å; D203-K206 PolarHBondContact O-N 2.86Å; D203-K206 VanDerWaalsContact O-N 3.09Å; Y204-K206 VanDerWaalsContact C-N 3.3Å; Y204-K206 PolarHBondContact O-N 2.89Å; K206-K209 WeakPolarHBondContact O-CG 3.19Å |
| 207 | Q | 97.4 | Very high | 94.3 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74.9 | -27.3 | -175.2 | -65.3 | -66.8 | -12.1 | 0 | 0 | 113.3 | Y97 K101 D203 Y204 | Y97-Q207 HydrophobicContact CD1-CB 3.61Å; Y97-Q207 HydrophobicContact CD1-CG 4.32Å; Y97-Q207 HydrophobicContact CD2-CB 3.91Å; Y97-Q207 HydrophobicContact CD2-CG 3.81Å; Y97-Q207 HydrophobicContact CE1-CB 3.82Å; Y97-Q207 HydrophobicContact CE1-CG 4.25Å; Y97-Q207 HydrophobicContact CE2-CB 4.08Å; Y97-Q207 HydrophobicContact CE2-CG 3.7Å; Y97-Q207 HydrophobicContact CG-CB 3.66Å; Y97-Q207 HydrophobicContact CG-CG 4.11Å; K101-Q207 PolarHBondContact NZ-O 2.89Å; D203-Q207 VanDerWaalsContact O-CG 3.26Å; D203-Q207 WeakPolarHBondContact O-CG 3.46Å; D203-Q207 PolarHBondContact O-N 2.91Å; Y204-Q207 PolarHBondContact O-N 3.13Å |
| 208 | M | 96.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 75.6 Ų | 75.6 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -105.7 | -2.2 | -175.1 | -61.3 | -62.1 | -67.8 | 0 | 0 | 113.8 | W96 Y97 V100 K101 Y204 D210 V211 I213 F215 | W96-M208 HydrophobicContact CZ3-SD 4.19Å; Y97-M208 HydrophobicContact CD1-CG 3.93Å; Y97-M208 HydrophobicContact CD1-SD 3.79Å; Y97-M208 HydrophobicContact CE1-CG 4.34Å; V100-M208 HydrophobicContact CG2-CE 4.28Å; K101-M208 HydrophobicContact CD-SD 4.13Å; K101-M208 HydrophobicContact CG-CE 4.26Å; K101-M208 HydrophobicContact CG-SD 4.11Å; Y204-M208 HydrophobicContact CD1-CB 4.33Å; Y204-M208 HydrophobicContact CD1-CG 4.09Å; Y204-M208 HydrophobicContact CD2-CG 4.2Å; Y204-M208 HydrophobicContact CE1-CB 4.03Å; Y204-M208 HydrophobicContact CE1-CG 3.81Å; Y204-M208 HydrophobicContact CE2-CG 3.93Å; Y204-M208 HydrophobicContact CG-CG 4.26Å; Y204-M208 VanDerWaalsContact O-CB 3.25Å; Y204-M208 WeakPolarHBondContact O-CB 3.48Å; Y204-M208 WeakPolarHBondContact O-CG 3.44Å; Y204-M208 PolarHBondContact O-N 3.48Å; M208-D210 PolarHBondContact O-N 3.43Å; M208-V211 PolarHBondContact O-N 2.96Å; M208-I213 HydrophobicContact CE-CB 4.36Å; M208-I213 HydrophobicContact CE-CD1 3.87Å; M208-I213 HydrophobicContact CE-CG1 4.02Å; M208-F215 HydrophobicContact CE-CE2 4.25Å |
| 209 | K | 94.4 | Very high | 90.1 | Very high | 157 Ų | 157 | 75.5 Ų | 75.5 | 68% | 0.683 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -33.9 | -175.6 | 70.3 | -176.9 | -174.6 | 175.4 | 0 | 115.2 | E205 K206 | E205-K209 WeakPolarHBondContact O-CB 3.47Å; E205-K209 PolarHBondContact O-N 3.31Å; E205-K209 VanDerWaalsContact O-N 3.1Å; K206-K209 WeakPolarHBondContact O-CG 3.19Å |
| 210 | D | 92.9 | Very high | 89.7 | Confident | 139 Ų | 139 | 76.5 Ų | 76.5 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -3.2 | -173.3 | -58.8 | -49.5 | 0 | 0 | 0 | 112.9 | M208 | M208-D210 PolarHBondContact O-N 3.43Š|
| 211 | V | 92.6 | Very high | 89.2 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | trans | -136.4 | 119.3 | -176.6 | -170 | 0 | 0 | 0 | 0 | 110.9 | K101 W104 M208 I213 | K101-V211 HydrophobicContact CD-CB 4.45Å; K101-V211 HydrophobicContact CD-CG2 3.85Å; K101-V211 HydrophobicContact CG-CB 4.25Å; K101-V211 HydrophobicContact CG-CG2 3.92Å; W104-V211 HydrophobicContact CG-CG1 4.33Å; M208-V211 PolarHBondContact O-N 2.96Å; V211-I213 HydrophobicContact CB-CG1 4.41Å; V211-I213 HydrophobicContact CG1-CD1 4.02Å; V211-I213 HydrophobicContact CG1-CG1 3.5Å; V211-I213 PolarHBondContact O-N 3.2Å | ||
| 212 | N | 91.9 | Very high | 88.8 | Confident | 145 Ų | 145 | 81.2 Ų | 81.2 | 78% | 0.775 | 41% | 0.405 | S | S | * | . | trans | -87.3 | 88.8 | 172.9 | -168 | 3.4 | 0 | 0 | 0 | 110.6 | W104 | W104-N212 WeakPolarHBondContact CZ2-O 3.2Š| ||
| 213 | I | 95.3 | Very high | 88.3 | Confident | 11 Ų | 11 | 80.8 Ų | 80.8 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | trans | -100 | 123.1 | 168.7 | -46.5 | -170.5 | 0 | 0 | 0 | 107.9 | V100 W104 Y114 F116 M208 V211 F215 | V100-I213 HydrophobicContact CB-CD1 4.41Å; V100-I213 HydrophobicContact CG2-CD1 4.17Å; W104-I213 HydrophobicContact CB-CD1 3.58Å; W104-I213 HydrophobicContact CB-CG1 4.24Å; W104-I213 HydrophobicContact CD2-CB 4.44Å; W104-I213 HydrophobicContact CD2-CD1 4.12Å; W104-I213 HydrophobicContact CD2-CG1 3.88Å; W104-I213 HydrophobicContact CD2-CG2 4.09Å; W104-I213 HydrophobicContact CE3-CG2 3.97Å; W104-I213 HydrophobicContact CG-CD1 3.64Å; W104-I213 HydrophobicContact CG-CG1 3.72Å; W104-I213 HydrophobicContact CH2-CG2 4.37Å; W104-I213 HydrophobicContact CZ2-CG2 4.47Å; W104-I213 HydrophobicContact CZ3-CG2 4.12Å; Y114-I213 HydrophobicContact CE1-CG2 4.49Å; F116-I213 HydrophobicContact CE1-CG2 3.63Å; F116-I213 HydrophobicContact CZ-CG2 3.68Å; M208-I213 HydrophobicContact CE-CB 4.36Å; M208-I213 HydrophobicContact CE-CD1 3.87Å; M208-I213 HydrophobicContact CE-CG1 4.02Å; V211-I213 HydrophobicContact CB-CG1 4.41Å; V211-I213 HydrophobicContact CG1-CD1 4.02Å; V211-I213 HydrophobicContact CG1-CG1 3.5Å; V211-I213 PolarHBondContact O-N 3.2Å; I213-F215 HydrophobicContact CB-CD2 3.78Å; I213-F215 HydrophobicContact CB-CE2 3.66Å; I213-F215 HydrophobicContact CD1-CE2 4.02Å; I213-F215 HydrophobicContact CG1-CE2 4.38Å; I213-F215 HydrophobicContact CG2-CD2 3.66Å; I213-F215 HydrophobicContact CG2-CE2 3.38Å; I213-F215 HydrophobicContact CG2-CG 4.41Å; I213-F215 HydrophobicContact CG2-CZ 3.9Å; I213-F215 PolarHBondContact O-N 3.08Å | ||
| 214 | P | 94.4 | Very high | 87.7 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | trans | -78.5 | 58.1 | -173 | 34.2 | -38.8 | 0 | 0 | 0 | 112.6 | W104 F116 R216 | W104-P214 HydrophobicContact CH2-CG 4.27Å; F116-P214 HydrophobicContact CE2-CG 4Å; F116-P214 HydrophobicContact CZ-CG 3.83Å; P214-R216 PolarHBondContact O-N 3.15Å | ||
| 215 | F | 93.6 | Very high | 87 | Confident | 30 Ų | 30 | 86.1 Ų | 86.1 | 13% | 0.132 | 43% | 0.434 | C | S | . | . | trans | -66.2 | 129.4 | 174 | -75 | -72.2 | 0 | 0 | 0 | 110.7 | A53 W96 V100 F116 Y204 M208 I213 | A53-F215 HydrophobicContact CB-CE1 3.52Å; A53-F215 HydrophobicContact CB-CZ 3.77Å; W96-F215 AromaticContact CH2-CD2 3.99Å; W96-F215 HydrophobicContact CH2-CD2 3.99Å; W96-F215 HydrophobicContact CH2-CE1 4.4Å; W96-F215 AromaticContact CH2-CE2 3.55Å; W96-F215 HydrophobicContact CH2-CE2 3.55Å; W96-F215 AromaticContact CH2-CZ 3.79Å; W96-F215 HydrophobicContact CH2-CZ 3.79Å; W96-F215 HydrophobicContact CZ2-CD2 4.47Å; W96-F215 AromaticContact CZ2-CE1 3.95Å; W96-F215 HydrophobicContact CZ2-CE1 3.95Å; W96-F215 AromaticContact CZ2-CE2 3.89Å; W96-F215 HydrophobicContact CZ2-CE2 3.89Å; W96-F215 AromaticContact CZ2-CZ 3.6Å; W96-F215 HydrophobicContact CZ2-CZ 3.6Å; V100-F215 HydrophobicContact CB-CE2 4.37Å; V100-F215 HydrophobicContact CB-CZ 3.97Å; V100-F215 HydrophobicContact CG1-CZ 3.95Å; V100-F215 HydrophobicContact CG2-CE2 4.05Å; V100-F215 HydrophobicContact CG2-CZ 4.1Å; F116-F215 AromaticContact CD1-CD1 3.91Å; F116-F215 HydrophobicContact CD1-CD1 3.91Å; F116-F215 AromaticContact CD1-CE1 3.96Å; F116-F215 HydrophobicContact CD1-CE1 3.96Å; F116-F215 AromaticContact CE1-CD1 3.91Å; F116-F215 HydrophobicContact CE1-CD1 3.91Å; F116-F215 AromaticContact CE1-CE1 3.86Å; F116-F215 HydrophobicContact CE1-CE1 3.86Å; F116-F215 HydrophobicContact CE1-CG 4.38Å; F116-F215 HydrophobicContact CE1-CZ 4.3Å; Y204-F215 VanDerWaalsContact OH-CD2 3.27Å; Y204-F215 WeakPolarHBondContact OH-CD2 3.33Å; M208-F215 HydrophobicContact CE-CE2 4.25Å; I213-F215 HydrophobicContact CB-CD2 3.78Å; I213-F215 HydrophobicContact CB-CE2 3.66Å; I213-F215 HydrophobicContact CD1-CE2 4.02Å; I213-F215 HydrophobicContact CG1-CE2 4.38Å; I213-F215 HydrophobicContact CG2-CD2 3.66Å; I213-F215 HydrophobicContact CG2-CE2 3.38Å; I213-F215 HydrophobicContact CG2-CG 4.41Å; I213-F215 HydrophobicContact CG2-CZ 3.9Å; I213-F215 PolarHBondContact O-N 3.08Å | ||
| 216 | R | 87.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 82.4 Ų | 82.4 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | trans | -93.5 | 120.9 | 171.7 | -64.9 | -168.1 | -71.3 | 166.4 | -11 | 109 | N55 E118 D119 E122 P214 L218 | N55-R216 WeakPolarHBondContact CB-O 3.49Å; E118-R216 HydrophobicContact CB-CB 4.27Å; E118-R216 HydrophobicContact CG-CB 4.23Å; E118-R216 WeakPolarHBondContact CG-O 3.35Å; D119-R216 IonicContact OD1-CZ 3.73Å; D119-R216 IonicContact OD1-NE 3.36Å; D119-R216 PolarHBondContact OD1-NE 3.07Å; D119-R216 IonicContact OD1-NH2 3.7Å; D119-R216 PolarHBondContact OD1-NH2 2.61Å; E122-R216 IonicContact OE1-CZ 3.47Å; E122-R216 IonicContact OE1-NH1 3.28Å; E122-R216 PolarHBondContact OE1-NH1 2.97Å; E122-R216 IonicContact OE1-NH2 3.45Å; E122-R216 IonicContact OE2-CZ 3.44Å; E122-R216 IonicContact OE2-NH1 2.77Å; E122-R216 PolarHBondContact OE2-NH1 2.77Å; E122-R216 IonicContact OE2-NH2 2.69Å; E122-R216 PolarHBondContact OE2-NH2 3.13Å; P214-R216 PolarHBondContact O-N 3.15Å; R216-L218 VanDerWaalsContact C-N 3.29Å | ||
| 217 | S | 69.3 | Low | 85.5 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -82.8 | -12.4 | 171.6 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | W188 | W188-S217 PolarHBondContact NE1-O 2.78Š|
| 218 | L | 58.2 | Low | 84.5 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 43% | 0.429 | 41% | 0.409 | S | S | . | . | trans | -148.2 | 150.6 | 179.1 | -62.1 | 173.8 | 0 | 0 | 0 | 111.4 | K189 R216 | K189-L218 HydrophobicContact CD-CD2 4.35Å; K189-L218 VanDerWaalsContact CE-CD2 3.49Å; R216-L218 VanDerWaalsContact C-N 3.29Å | ||
| 219 | I | 48.5 | Very low | 83.5 | Confident | 134 Ų | 134 | 84.3 Ų | 84.3 | 69% | 0.687 | 44% | 0.441 | S | S | * | . | trans | -104.1 | 0 | 161.5 | -60.1 | 170.7 | 0 | 0 | 0 | 106.7 | K121 E122 V185 | K121-I219 HydrophobicContact CB-CD1 4.33Å; E122-I219 HydrophobicContact CB-CD1 4.17Å; V185-I219 HydrophobicContact CB-CD1 4.05Å; V185-I219 HydrophobicContact CB-CG1 4.44Å; V185-I219 HydrophobicContact CG1-CD1 4.33Å; V185-I219 HydrophobicContact CG1-CG1 4.23Å; V185-I219 HydrophobicContact CG2-CD1 3.85Å |
Retrieved 219 of 219 residues in 234.7 ms
(Link to these results)