| 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 | 31.8 | Very low | 30.4 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 97% | 0.966 | 73% | 0.732 | S | S | * | * | 0 | 113.9 | 0 | -101.9 | -175.5 | -174.3 | 0 | 0 | 106.3 | L3 K73 | M1-L3 PolarHBondContact O-N 2.99Å; M1-K73 PolarHBondContact SD-NZ 3.05Å; M1-K73 VanDerWaalsContact SD-NZ 3.37Å | |||
| 2 | D | 27.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -59 | 119.3 | 179.6 | -62 | -46.8 | 0 | 0 | 0 | 110.2 | ||||
| 3 | L | 29.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 45% | 0.45 | 69% | 0.692 | S | S | . | * | trans | -101.8 | 74.1 | 171.6 | -91.7 | 159.4 | 0 | 0 | 0 | 107.4 | M1 L5 F135 | M1-L3 PolarHBondContact O-N 2.99Å; L3-L5 PolarHBondContact O-N 3.24Å; L3-F135 HydrophobicContact CB-CE1 4.12Å; L3-F135 HydrophobicContact CB-CZ 3.66Å; L3-F135 WeakPolarHBondContact O-CZ 3.37Å | ||
| 4 | T | 32.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 64% | 0.638 | 68% | 0.684 | S | S | * | * | trans | -73.9 | 118.4 | 166 | 39.4 | 0 | 0 | 0 | 0 | 108.9 | P6 | T4-P6 VanDerWaalsContact O-CD 3.29Å; T4-P6 WeakPolarHBondContact O-CD 3.29Å; T4-P6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | L | 29.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 126 Ų | 126 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 7.9 | -171.2 | -117.9 | 98 | 0 | 0 | 0 | 119.9 | L3 | L3-L5 PolarHBondContact O-N 3.24Š|
| 6 | P | 27.8 | Very low | 33.7 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 7.9 | 176.2 | 10.7 | 12.1 | 0 | 0 | 0 | 120.2 | T4 | T4-P6 VanDerWaalsContact O-CD 3.29Å; T4-P6 WeakPolarHBondContact O-CD 3.29Å; T4-P6 VanDerWaalsContact O-N 3.16Å |
| 7 | E | 29.3 | Very low | 34.1 | Very low | 173 Ų | 173 | 118.6 Ų | 118.6 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | trans | -104 | 1.3 | -175.3 | -73.2 | -168.6 | 167.6 | 0 | 0 | 117.3 | N9 | E7-N9 PolarHBondContact O-N 3.43Š| ||
| 8 | L | 29.3 | Very low | 34.4 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | trans | -96.4 | 59.6 | -176.7 | -75.9 | 158.1 | 0 | 0 | 0 | 113 | C12 | L8-C12 WeakPolarHBondContact CD2-SG 3.41Š| ||
| 9 | N | 28 | Very low | 34.5 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -120.3 | 112.2 | 161.2 | -89.3 | -30.4 | 0 | 0 | 0 | 108.4 | E7 | E7-N9 PolarHBondContact O-N 3.43Š|
| 10 | H | 32.9 | Very low | 34.3 | Very low | 178 Ų | 178 | 119.1 Ų | 119.1 | 82% | 0.824 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 109.8 | -8.1 | 160.5 | -65.5 | -64.9 | 0 | 0 | 0 | 123.2 | ||
| 11 | N | 36.6 | Very low | 34.1 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -131.1 | 6 | -172 | -79.3 | -17.9 | 0 | 0 | 0 | 119.6 | F13 S14 | N11-F13 PolarHBondContact O-N 3.04Å; N11-S14 PolarHBondContact O-OG 3.49Å | ||
| 12 | C | 37.8 | Very low | 34.1 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -80.3 | -10.9 | -177 | -75.6 | 0 | 0 | 0 | 0 | 116.4 | L8 | L8-C12 WeakPolarHBondContact CD2-SG 3.41Š|
| 13 | F | 37.2 | Very low | 34.5 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 41% | 0.412 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -100.7 | -9.8 | -173.8 | -70.2 | -74.1 | 0 | 0 | 0 | 114.8 | N11 T15 N30 F33 | N11-F13 PolarHBondContact O-N 3.04Å; F13-T15 VanDerWaalsContact C-N 3.29Å; F13-T15 PolarHBondContact O-N 2.91Å; F13-N30 WeakPolarHBondContact CD1-OD1 3.13Å; F13-N30 PolarHBondContact O-ND2 3.35Å; F13-F33 HydrophobicContact CE1-CB 4.02Å; F13-F33 HydrophobicContact CE1-CD2 4.33Å; F13-F33 HydrophobicContact CE1-CG 4.33Å; F13-F33 HydrophobicContact CZ-CB 4.34Å |
| 14 | S | 40.2 | Very low | 34.5 | Very low | 82 Ų | 82 | 116 Ų | 116 | 57% | 0.573 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -11.3 | -173.5 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | N11 | N11-S14 PolarHBondContact O-OG 3.49Š|
| 15 | T | 43.6 | Very low | 34.5 | Very low | 100 Ų | 100 | 119 Ų | 119 | 61% | 0.613 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -12.2 | -177.3 | 46.2 | 0 | 0 | 0 | 0 | 114.2 | F13 | F13-T15 VanDerWaalsContact C-N 3.29Å; F13-T15 PolarHBondContact O-N 2.91Å |
| 16 | L | 45.3 | Very low | 35 | Very low | 29 Ų | 29 | 116.1 Ų | 116.1 | 15% | 0.152 | 67% | 0.669 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | -10.9 | -176 | -73.6 | 160.9 | 0 | 0 | 0 | 114 | I29 Y63 | L16-I29 HydrophobicContact CB-CG2 4.24Å; L16-I29 HydrophobicContact CD1-CG2 4.49Å; L16-Y63 WeakPolarHBondContact CD2-OH 3.46Å |
| 17 | D | 40.8 | Very low | 36.1 | Very low | 98 Ų | 98 | 114 Ų | 114 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.6 | 17.3 | -172.7 | -81.3 | -29.5 | 0 | 0 | 0 | 115.1 | N30 | D17-N30 PolarHBondContact OD1-ND2 2.75Å; D17-N30 PolarHBondContact OD2-ND2 2.92Å |
| 18 | H | 39.9 | Very low | 37.7 | Very low | 166 Ų | 166 | 108.3 Ų | 108.3 | 77% | 0.769 | 63% | 0.633 | S | S | * | * | trans | -112.9 | 61.9 | -179.1 | -67.4 | -37.8 | 0 | 0 | 0 | 113.8 | ||||
| 19 | S | 35.8 | Very low | 39.7 | Very low | 92 Ų | 92 | 103.7 Ų | 103.7 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | trans | -157.7 | 65.3 | 157.6 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | D21 | S19-D21 PolarHBondContact O-N 3Š| ||
| 20 | S | 30.9 | Very low | 41.8 | Very low | 106 Ų | 106 | 98.1 Ų | 98.1 | 74% | 0.741 | 58% | 0.579 | S | S | * | * | trans | -74.9 | 108 | 158.8 | 57 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 21 | D | 29.9 | Very low | 43.8 | Very low | 141 Ų | 141 | 94.6 Ų | 94.6 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | trans | 170.4 | 87.8 | 137.9 | -84.5 | -15.6 | 0 | 0 | 0 | 108.4 | S19 | S19-D21 PolarHBondContact O-N 3Š| ||
| 22 | N | 32.2 | Very low | 45.9 | Very low | 154 Ų | 154 | 88.2 Ų | 88.2 | 82% | 0.824 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -179.9 | 113.9 | 135.4 | -86.7 | -29.6 | 0 | 0 | 0 | 111.4 | ||
| 23 | S | 34.3 | Very low | 47.9 | Very low | 115 Ų | 115 | 84.6 Ų | 84.6 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | trans | 53.1 | 88.9 | 151.2 | 59.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 24 | G | 29.4 | Very low | 50 | Low | 69 Ų | 69 | 83.1 Ų | 83.1 | 71% | 0.711 | 51% | 0.509 | S | S | * | . | S | Bend | 64 | 61.4 | 119.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||
| 25 | N | 33.9 | Very low | 52 | Low | 165 Ų | 165 | 80.5 Ų | 80.5 | 88% | 0.882 | 49% | 0.489 | S | S | * | . | trans | 167 | 9.5 | 144.8 | -90.1 | -9.7 | 0 | 0 | 0 | 114.1 | V27 | N25-V27 PolarHBondContact O-N 3.19Å; N25-V27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | S | 40.1 | Very low | 53.8 | Low | 102 Ų | 102 | 75.8 Ų | 75.8 | 71% | 0.713 | 46% | 0.459 | S | S | * | . | trans | -76.3 | 103.1 | -175.6 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | S28 | S26-S28 PolarHBondContact O-N 3.34Š| ||
| 27 | V | 50.1 | Low | 55.4 | Low | 70 Ų | 70 | 77.1 Ų | 77.1 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | trans | -54.1 | 127.6 | 155.9 | 177.3 | 0 | 0 | 0 | 0 | 107.3 | N25 I29 H31 | N25-V27 PolarHBondContact O-N 3.19Å; N25-V27 VanDerWaalsContact O-N 3.11Å; V27-I29 PolarHBondContact O-N 3.09Å; V27-H31 HydrophobicContact CG1-CB 3.97Å | ||
| 28 | S | 62.5 | Low | 57 | Low | 52 Ų | 52 | 74.5 Ų | 74.5 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | trans | -58.9 | 140.3 | -178.7 | 77.8 | 0 | 0 | 0 | 0 | 109.9 | S26 N30 H31 S32 | S26-S28 PolarHBondContact O-N 3.34Å; S28-N30 PolarHBondContact O-N 3.15Å; S28-H31 WeakPolarHBondContact O-CB 3.25Å; S28-H31 PolarHBondContact O-N 3.45Å; S28-H31 WeakPolarHBondContact OG-CB 3.45Å; S28-H31 PolarHBondContact OG-N 3.24Å; S28-S32 PolarHBondContact O-N 3.07Å; S28-S32 PolarHBondContact O-OG 3.14Å | ||
| 29 | I | 72.8 | Confident | 58.9 | Low | 8 Ų | 8 | 75.2 Ų | 75.2 | 4% | 0.041 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -56.1 | -34.4 | 177.3 | -162 | -177.3 | 0 | 0 | 0 | 110.5 | L16 V27 S32 F33 W55 L71 | L16-I29 HydrophobicContact CB-CG2 4.24Å; L16-I29 HydrophobicContact CD1-CG2 4.49Å; V27-I29 PolarHBondContact O-N 3.09Å; I29-S32 WeakPolarHBondContact O-CB 3.36Å; I29-S32 PolarHBondContact O-N 2.8Å; I29-F33 HydrophobicContact CD1-CD2 4.42Å; I29-F33 HydrophobicContact CD1-CE2 3.78Å; I29-F33 HydrophobicContact CG1-CD2 3.88Å; I29-F33 HydrophobicContact CG1-CE2 3.68Å; I29-F33 VanDerWaalsContact O-CD2 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.42Å; I29-F33 PolarHBondContact O-N 3.38Å; I29-W55 HydrophobicContact CB-CD2 4.27Å; I29-W55 HydrophobicContact CB-CG 4.41Å; I29-W55 HydrophobicContact CD1-CD2 3.67Å; I29-W55 HydrophobicContact CD1-CE3 3.42Å; I29-W55 VanDerWaalsContact CD1-CE3 3.42Å; I29-W55 HydrophobicContact CD1-CG 4.48Å; I29-W55 HydrophobicContact CD1-CH2 3.8Å; I29-W55 HydrophobicContact CD1-CZ2 3.99Å; I29-W55 HydrophobicContact CD1-CZ3 3.51Å; I29-W55 HydrophobicContact CG1-CD2 4Å; I29-W55 HydrophobicContact CG1-CE3 4.15Å; I29-W55 HydrophobicContact CG1-CG 4.31Å; I29-L71 HydrophobicContact CD1-CD2 4Å |
| 30 | N | 70.8 | Confident | 61.1 | Low | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.134 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.4 | -72.1 | -9 | 0 | 0 | 0 | 112.2 | F13 D17 S28 F33 A34 | F13-N30 WeakPolarHBondContact CD1-OD1 3.13Å; F13-N30 PolarHBondContact O-ND2 3.35Å; D17-N30 PolarHBondContact OD1-ND2 2.75Å; D17-N30 PolarHBondContact OD2-ND2 2.92Å; S28-N30 PolarHBondContact O-N 3.15Å; N30-F33 PolarHBondContact O-N 3.43Å; N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 2.85Å |
| 31 | H | 75.3 | Confident | 63.7 | Low | 104 Ų | 104 | 71.5 Ų | 71.5 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 173.8 | -170.3 | 67.2 | 0 | 0 | 0 | 111.5 | V27 S28 F33 A34 L35 | V27-H31 HydrophobicContact CG1-CB 3.97Å; S28-H31 WeakPolarHBondContact O-CB 3.25Å; S28-H31 PolarHBondContact O-N 3.45Å; S28-H31 WeakPolarHBondContact OG-CB 3.45Å; S28-H31 PolarHBondContact OG-N 3.24Å; H31-F33 PolarHBondContact O-N 3.42Å; H31-A34 WeakPolarHBondContact O-CB 3.35Å; H31-A34 PolarHBondContact O-N 3.29Å; H31-L35 WeakPolarHBondContact O-CG 3.49Å; H31-L35 PolarHBondContact O-N 2.9Å; H31-L35 VanDerWaalsContact O-N 3.09Å |
| 32 | S | 81.9 | Confident | 66.2 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.007 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.5 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | S28 I29 L35 I36 S51 | S28-S32 PolarHBondContact O-N 3.07Å; S28-S32 PolarHBondContact O-OG 3.14Å; I29-S32 WeakPolarHBondContact O-CB 3.36Å; I29-S32 PolarHBondContact O-N 2.8Å; S32-L35 PolarHBondContact O-N 2.83Å; S32-I36 WeakPolarHBondContact O-CD1 3.49Å; S32-I36 WeakPolarHBondContact O-CG1 3.4Å; S32-S51 WeakPolarHBondContact OG-CB 3.41Å |
| 33 | F | 79.8 | Confident | 68.8 | Low | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.018 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.8 | -31 | 174.2 | -82.3 | -65.4 | 0 | 0 | 0 | 113.6 | F13 I29 N30 H31 L35 I36 V52 C74 L75 K78 | F13-F33 HydrophobicContact CE1-CB 4.02Å; F13-F33 HydrophobicContact CE1-CD2 4.33Å; F13-F33 HydrophobicContact CE1-CG 4.33Å; F13-F33 HydrophobicContact CZ-CB 4.34Å; I29-F33 HydrophobicContact CD1-CD2 4.42Å; I29-F33 HydrophobicContact CD1-CE2 3.78Å; I29-F33 HydrophobicContact CG1-CD2 3.88Å; I29-F33 HydrophobicContact CG1-CE2 3.68Å; I29-F33 VanDerWaalsContact O-CD2 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.42Å; I29-F33 PolarHBondContact O-N 3.38Å; N30-F33 PolarHBondContact O-N 3.43Å; H31-F33 PolarHBondContact O-N 3.42Å; F33-L35 VanDerWaalsContact C-N 3.31Å; F33-I36 HydrophobicContact CD1-CD1 4.32Å; F33-I36 CarbonylContact O-C 3.57Å; F33-I36 PolarHBondContact O-N 3.04Å; F33-I36 VanDerWaalsContact O-N 3.15Å; F33-V52 HydrophobicContact CD1-CG2 4.36Å; F33-V52 HydrophobicContact CE1-CG2 4.26Å; F33-V52 HydrophobicContact CE2-CG2 4.4Å; F33-V52 HydrophobicContact CG-CG2 4.48Å; F33-V52 HydrophobicContact CZ-CG1 4.16Å; F33-V52 HydrophobicContact CZ-CG2 4.27Å; F33-C74 VanDerWaalsContact CE1-SG 3.53Å; F33-C74 HydrophobicContact CZ-CB 4.37Å; F33-L75 HydrophobicContact CE1-CD2 4.24Å; F33-L75 HydrophobicContact CZ-CD2 4.22Å; F33-K78 HydrophobicContact CD1-CG 4.03Å; F33-K78 HydrophobicContact CE1-CG 4.23Å |
| 34 | A | 80.1 | Confident | 71.2 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 51% | 0.512 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.3 | -29.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N30 H31 I36 N40 | N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 2.85Å; H31-A34 WeakPolarHBondContact O-CB 3.35Å; H31-A34 PolarHBondContact O-N 3.29Å; A34-I36 PolarHBondContact O-N 2.93Å; A34-N40 PolarHBondContact O-ND2 3.16Å; A34-N40 VanDerWaalsContact O-ND2 3.16Å |
| 35 | L | 82.4 | Confident | 73.9 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.7 | -24.6 | 171.9 | -67.7 | 172.1 | 0 | 0 | 0 | 112.1 | H31 S32 F33 D37 N40 | H31-L35 WeakPolarHBondContact O-CG 3.49Å; H31-L35 PolarHBondContact O-N 2.9Å; H31-L35 VanDerWaalsContact O-N 3.09Å; S32-L35 PolarHBondContact O-N 2.83Å; F33-L35 VanDerWaalsContact C-N 3.31Å; L35-D37 PolarHBondContact O-N 3.08Å; L35-D37 VanDerWaalsContact O-N 3.11Å; L35-N40 WeakPolarHBondContact CA-ND2 3.48Å; L35-N40 PolarHBondContact O-ND2 2.96Å |
| 36 | I | 80.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -88.4 | 60.3 | 178 | -53.6 | 166.4 | 0 | 0 | 0 | 109.2 | S32 F33 A34 G48 A49 V52 K78 F82 L98 | S32-I36 WeakPolarHBondContact O-CD1 3.49Å; S32-I36 WeakPolarHBondContact O-CG1 3.4Å; F33-I36 HydrophobicContact CD1-CD1 4.32Å; F33-I36 CarbonylContact O-C 3.57Å; F33-I36 PolarHBondContact O-N 3.04Å; F33-I36 VanDerWaalsContact O-N 3.15Å; A34-I36 PolarHBondContact O-N 2.93Å; I36-G48 VanDerWaalsContact CD1-C 3.49Å; I36-A49 HydrophobicContact CD1-CB 4.25Å; I36-V52 HydrophobicContact CD1-CB 4.48Å; I36-V52 HydrophobicContact CD1-CG2 3.63Å; I36-K78 HydrophobicContact CG2-CB 4.19Å; I36-K78 HydrophobicContact CG2-CD 4.23Å; I36-K78 HydrophobicContact CG2-CG 4.21Å; I36-K78 WeakPolarHBondContact O-CE 3.41Å; I36-K78 PolarHBondContact O-NZ 3.33Å; I36-F82 HydrophobicContact CB-CE2 4.36Å; I36-F82 HydrophobicContact CG2-CD2 4.12Å; I36-F82 HydrophobicContact CG2-CE2 3.28Å; I36-F82 HydrophobicContact CG2-CZ 3.85Å; I36-L98 HydrophobicContact CD1-CD2 4.07Å; I36-L98 HydrophobicContact CG2-CD1 4.12Å | ||
| 37 | D | 79.6 | Confident | 78.8 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | trans | -116.6 | 138.4 | 172.9 | -169.7 | -34.4 | 0 | 0 | 0 | 109 | L35 K39 N40 Q45 | L35-D37 PolarHBondContact O-N 3.08Å; L35-D37 VanDerWaalsContact O-N 3.11Å; D37-K39 PolarHBondContact O-N 2.97Å; D37-K39 PolarHBondContact OD1-N 3.11Å; D37-N40 PolarHBondContact O-N 2.96Å; D37-Q45 PolarHBondContact O-NE2 3.38Å | ||
| 38 | C | 73.5 | Confident | 80.6 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.4 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | H85 | C38-H85 PolarHBondContact SG-CD2 3.03Š|
| 39 | K | 80.3 | Confident | 81.9 | Confident | 182 Ų | 182 | 56 Ų | 56 | 79% | 0.791 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -20.7 | 175.4 | -65.1 | 173.6 | -175.2 | 166.9 | 0 | 114.4 | D37 | D37-K39 PolarHBondContact O-N 2.97Å; D37-K39 PolarHBondContact OD1-N 3.11Å |
| 40 | N | 83.2 | Confident | 82.6 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -82.1 | 157.5 | -176.7 | -63 | -20.7 | 0 | 0 | 0 | 111.5 | A34 L35 D37 E44 Q45 | A34-N40 PolarHBondContact O-ND2 3.16Å; A34-N40 VanDerWaalsContact O-ND2 3.16Å; L35-N40 WeakPolarHBondContact CA-ND2 3.48Å; L35-N40 PolarHBondContact O-ND2 2.96Å; D37-N40 PolarHBondContact O-N 2.96Å; N40-E44 HydrophobicContact CB-CB 4.21Å; N40-Q45 HydrophobicContact CB-CG 4.1Å; N40-Q45 VanDerWaalsContact O-CD 3.28Å; N40-Q45 PolarHBondContact O-NE2 3.23Å |
| 41 | P | 84 | Confident | 83.4 | Confident | 74 Ų | 74 | 59 Ų | 59 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | trans | -59.5 | 149.4 | 171.6 | -20.3 | 31.3 | 0 | 0 | 0 | 112.6 | N43 E44 Q45 | P41-N43 PolarHBondContact O-N 2.97Å; P41-N43 VanDerWaalsContact O-N 3.08Å; P41-E44 WeakPolarHBondContact CD-OE2 3.2Å; P41-E44 HydrophobicContact CG-CG 4.37Å; P41-E44 PolarHBondContact O-N 3.19Å; P41-Q45 WeakPolarHBondContact O-CG 3.32Å; P41-Q45 PolarHBondContact O-N 3.29Å | ||
| 42 | Q | 83.2 | Confident | 84 | Confident | 147 Ų | 147 | 54.1 Ų | 54.1 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -52.3 | -36.2 | -179.4 | -70.8 | -179.3 | -12.7 | 0 | 0 | 114 | L46 | Q42-L46 WeakPolarHBondContact O-CB 3.38Å; Q42-L46 PolarHBondContact O-N 2.86Å |
| 43 | N | 86.1 | Confident | 84.3 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 72% | 0.717 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.7 | -37.9 | 177.4 | -72.6 | -13.4 | 0 | 0 | 0 | 112.8 | P41 H47 | P41-N43 PolarHBondContact O-N 2.97Å; P41-N43 VanDerWaalsContact O-N 3.08Å; N43-H47 WeakPolarHBondContact O-CB 3.19Å; N43-H47 PolarHBondContact O-N 3.01Å |
| 44 | E | 86.4 | Confident | 84.6 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 41% | 0.407 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 176.9 | -68.9 | -178.4 | -166.8 | 0 | 0 | 110.8 | N40 P41 L46 H47 G48 | N40-E44 HydrophobicContact CB-CB 4.21Å; P41-E44 WeakPolarHBondContact CD-OE2 3.2Å; P41-E44 HydrophobicContact CG-CG 4.37Å; P41-E44 PolarHBondContact O-N 3.19Å; E44-L46 PolarHBondContact O-N 3.39Å; E44-H47 PolarHBondContact O-N 2.96Å; E44-G48 PolarHBondContact O-N 2.63Å |
| 45 | Q | 86 | Confident | 85 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 173.9 | -63.2 | 170.7 | -20.5 | 0 | 0 | 111.2 | D37 N40 P41 G48 A49 F82 A94 | D37-Q45 PolarHBondContact O-NE2 3.38Å; N40-Q45 HydrophobicContact CB-CG 4.1Å; N40-Q45 VanDerWaalsContact O-CD 3.28Å; N40-Q45 PolarHBondContact O-NE2 3.23Å; P41-Q45 WeakPolarHBondContact O-CG 3.32Å; P41-Q45 PolarHBondContact O-N 3.29Å; Q45-G48 PolarHBondContact O-N 2.82Å; Q45-A49 WeakPolarHBondContact O-CB 3.18Å; Q45-A49 PolarHBondContact O-N 3.03Å; Q45-F82 HydrophobicContact CB-CE1 3.98Å; Q45-F82 HydrophobicContact CB-CZ 3.91Å; Q45-F82 HydrophobicContact CG-CE1 3.9Å; Q45-F82 HydrophobicContact CG-CZ 3.73Å; Q45-A94 HydrophobicContact CB-CB 4.24Å |
| 46 | L | 88.4 | Confident | 85.2 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.5 | 177.7 | 60.3 | 0 | 0 | 0 | 111.6 | Q42 E44 G48 A49 I50 P93 K97 | Q42-L46 WeakPolarHBondContact O-CB 3.38Å; Q42-L46 PolarHBondContact O-N 2.86Å; E44-L46 PolarHBondContact O-N 3.39Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-G48 PolarHBondContact O-N 3.19Å; L46-A49 PolarHBondContact O-N 2.99Å; L46-I50 HydrophobicContact CD1-CD1 4.05Å; L46-I50 HydrophobicContact CD1-CG1 4.17Å; L46-I50 HydrophobicContact CG-CD1 3.87Å; L46-I50 HydrophobicContact CG-CG1 4.43Å; L46-I50 VanDerWaalsContact O-CG1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3.13Å; L46-P93 HydrophobicContact CD1-CB 3.99Å; L46-P93 HydrophobicContact CD2-CB 4.27Å; L46-K97 HydrophobicContact CD1-CB 4.49Å |
| 47 | H | 88.3 | Confident | 85.4 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.1 | -174.3 | 63.8 | 0 | 0 | 0 | 112.1 | N43 E44 I50 S51 | N43-H47 WeakPolarHBondContact O-CB 3.19Å; N43-H47 PolarHBondContact O-N 3.01Å; E44-H47 PolarHBondContact O-N 2.96Å; H47-I50 PolarHBondContact O-N 3.22Å; H47-S51 WeakPolarHBondContact O-CB 3.35Å; H47-S51 PolarHBondContact O-N 3.34Å; H47-S51 PolarHBondContact O-OG 3.08Å |
| 48 | G | 87.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | I36 E44 Q45 L46 I50 S51 V52 | I36-G48 VanDerWaalsContact CD1-C 3.49Å; E44-G48 PolarHBondContact O-N 2.63Å; Q45-G48 PolarHBondContact O-N 2.82Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-G48 PolarHBondContact O-N 3.19Å; G48-I50 PolarHBondContact O-N 3.02Å; G48-S51 WeakPolarHBondContact O-CB 3.46Å; G48-S51 PolarHBondContact O-N 3.01Å; G48-S51 VanDerWaalsContact O-N 3.14Å; G48-V52 WeakPolarHBondContact O-CG2 3.5Å; G48-V52 PolarHBondContact O-N 3.23Å |
| 49 | A | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | I36 Q45 L46 S51 V52 R53 A94 K97 L98 | I36-A49 HydrophobicContact CD1-CB 4.25Å; Q45-A49 WeakPolarHBondContact O-CB 3.18Å; Q45-A49 PolarHBondContact O-N 3.03Å; L46-A49 PolarHBondContact O-N 2.99Å; A49-S51 VanDerWaalsContact C-N 3.33Å; A49-V52 PolarHBondContact O-N 3.1Å; A49-R53 PolarHBondContact O-N 3.1Å; A49-A94 HydrophobicContact CB-CB 4.47Å; A49-K97 HydrophobicContact CB-CB 3.82Å; A49-K97 HydrophobicContact CB-CG 4.26Å; A49-L98 HydrophobicContact CB-CD2 4.25Å; A49-L98 HydrophobicContact CB-CG 4.12Å |
| 50 | I | 88.9 | Confident | 86 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 171.8 | -69.2 | 166.7 | 0 | 0 | 0 | 110.4 | L46 H47 G48 V52 R53 S54 K97 | L46-I50 HydrophobicContact CD1-CD1 4.05Å; L46-I50 HydrophobicContact CD1-CG1 4.17Å; L46-I50 HydrophobicContact CG-CD1 3.87Å; L46-I50 HydrophobicContact CG-CG1 4.43Å; L46-I50 VanDerWaalsContact O-CG1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3.13Å; H47-I50 PolarHBondContact O-N 3.22Å; G48-I50 PolarHBondContact O-N 3.02Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 3.49Å; I50-R53 PolarHBondContact O-N 3.44Å; I50-S54 WeakPolarHBondContact O-CB 3.48Å; I50-S54 PolarHBondContact O-N 3.5Å; I50-K97 HydrophobicContact CG1-CD 3.82Å; I50-K97 HydrophobicContact CG1-CG 3.91Å |
| 51 | S | 87 | Confident | 85.9 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | S32 H47 G48 A49 S54 W55 | S32-S51 WeakPolarHBondContact OG-CB 3.41Å; H47-S51 WeakPolarHBondContact O-CB 3.35Å; H47-S51 PolarHBondContact O-N 3.34Å; H47-S51 PolarHBondContact O-OG 3.08Å; G48-S51 WeakPolarHBondContact O-CB 3.46Å; G48-S51 PolarHBondContact O-N 3.01Å; G48-S51 VanDerWaalsContact O-N 3.14Å; A49-S51 VanDerWaalsContact C-N 3.33Å; S51-S54 PolarHBondContact O-N 3.03Å; S51-W55 WeakPolarHBondContact O-CB 3.32Å; S51-W55 PolarHBondContact O-N 3.28Å |
| 52 | V | 88.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 172.9 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | F33 I36 G48 A49 I50 S54 W55 I56 L75 | F33-V52 HydrophobicContact CD1-CG2 4.36Å; F33-V52 HydrophobicContact CE1-CG2 4.26Å; F33-V52 HydrophobicContact CE2-CG2 4.4Å; F33-V52 HydrophobicContact CG-CG2 4.48Å; F33-V52 HydrophobicContact CZ-CG1 4.16Å; F33-V52 HydrophobicContact CZ-CG2 4.27Å; I36-V52 HydrophobicContact CD1-CB 4.48Å; I36-V52 HydrophobicContact CD1-CG2 3.63Å; G48-V52 WeakPolarHBondContact O-CG2 3.5Å; G48-V52 PolarHBondContact O-N 3.23Å; A49-V52 PolarHBondContact O-N 3.1Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 3.49Å; V52-S54 VanDerWaalsContact C-N 3.33Å; V52-S54 PolarHBondContact O-N 3.1Å; V52-W55 PolarHBondContact O-N 2.87Å; V52-I56 HydrophobicContact CG1-CD1 4.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.33Å; V52-I56 PolarHBondContact O-N 3.29Å; V52-L75 HydrophobicContact CG1-CD2 3.83Å |
| 53 | R | 88.1 | Confident | 85.8 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 177 | -167.4 | -180 | 173.6 | -174.7 | -6.6 | 111.7 | A49 I50 W55 I56 N57 K97 E100 S101 E171 | A49-R53 PolarHBondContact O-N 3.1Å; I50-R53 PolarHBondContact O-N 3.44Å; R53-W55 VanDerWaalsContact C-N 3.31Å; R53-W55 PolarHBondContact O-N 3.32Å; R53-I56 PolarHBondContact O-N 2.94Å; R53-N57 WeakPolarHBondContact O-CB 3.34Å; R53-N57 PolarHBondContact O-N 3.35Å; R53-K97 VanDerWaalsContact CD-CE 3.47Å; R53-E100 IonicContact CZ-OE2 3.5Å; R53-E100 IonicContact NE-OE2 2.96Å; R53-E100 IonicContact NH1-OE1 3.16Å; R53-E100 PolarHBondContact NH1-OE1 3.05Å; R53-E100 IonicContact NH1-OE2 3.39Å; R53-E100 PolarHBondContact NH1-OE2 3.09Å; R53-S101 WeakPolarHBondContact CA-OG 3.47Å; R53-S101 VanDerWaalsContact CB-OG 3.27Å; R53-S101 WeakPolarHBondContact CB-OG 3.43Å; R53-S101 PolarHBondContact N-OG 3.31Å; R53-E171 IonicContact CZ-OE1 3.55Å; R53-E171 IonicContact CZ-OE2 3.58Å; R53-E171 IonicContact NH1-OE1 2.82Å; R53-E171 PolarHBondContact NH1-OE1 3.18Å; R53-E171 IonicContact NH2-OE1 2.53Å; R53-E171 PolarHBondContact NH2-OE1 2.98Å; R53-E171 IonicContact NH2-OE2 2.73Å; R53-E171 PolarHBondContact NH2-OE2 2.84Å |
| 54 | S | 86.8 | Confident | 85.7 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 52% | 0.524 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -42 | 178.2 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | I50 S51 V52 N57 S58 | I50-S54 WeakPolarHBondContact O-CB 3.48Å; I50-S54 PolarHBondContact O-N 3.5Å; S51-S54 PolarHBondContact O-N 3.03Å; V52-S54 VanDerWaalsContact C-N 3.33Å; V52-S54 PolarHBondContact O-N 3.1Å; S54-N57 PolarHBondContact O-N 2.97Å; S54-S58 WeakPolarHBondContact O-CB 3.39Å; S54-S58 PolarHBondContact O-N 3.48Å; S54-S58 PolarHBondContact O-OG 3.04Å |
| 55 | W | 88.1 | Confident | 85.6 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 177.4 | -177.7 | 92.4 | 0 | 0 | 0 | 111.1 | I29 S51 V52 R53 N57 S58 A59 Y63 L64 L71 | I29-W55 HydrophobicContact CB-CD2 4.27Å; I29-W55 HydrophobicContact CB-CG 4.41Å; I29-W55 HydrophobicContact CD1-CD2 3.67Å; I29-W55 HydrophobicContact CD1-CE3 3.42Å; I29-W55 VanDerWaalsContact CD1-CE3 3.42Å; I29-W55 HydrophobicContact CD1-CG 4.48Å; I29-W55 HydrophobicContact CD1-CH2 3.8Å; I29-W55 HydrophobicContact CD1-CZ2 3.99Å; I29-W55 HydrophobicContact CD1-CZ3 3.51Å; I29-W55 HydrophobicContact CG1-CD2 4Å; I29-W55 HydrophobicContact CG1-CE3 4.15Å; I29-W55 HydrophobicContact CG1-CG 4.31Å; S51-W55 WeakPolarHBondContact O-CB 3.32Å; S51-W55 PolarHBondContact O-N 3.28Å; V52-W55 PolarHBondContact O-N 2.87Å; R53-W55 VanDerWaalsContact C-N 3.31Å; R53-W55 PolarHBondContact O-N 3.32Å; W55-N57 VanDerWaalsContact C-N 3.3Å; W55-N57 PolarHBondContact O-N 3.32Å; W55-S58 WeakPolarHBondContact CA-OG 3.29Å; W55-S58 CarbonylContact O-C 3.57Å; W55-S58 PolarHBondContact O-N 2.84Å; W55-S58 PolarHBondContact O-OG 3.26Å; W55-A59 HydrophobicContact CE3-CB 4.37Å; W55-A59 HydrophobicContact CH2-CB 4Å; W55-A59 HydrophobicContact CZ2-CB 4.22Å; W55-A59 HydrophobicContact CZ3-CB 4.11Å; W55-A59 WeakPolarHBondContact O-CB 3.05Å; W55-A59 PolarHBondContact O-N 2.88Å; W55-Y63 AromaticContact CH2-CD1 3.88Å; W55-Y63 HydrophobicContact CH2-CD1 3.88Å; W55-Y63 AromaticContact CH2-CE1 3.57Å; W55-Y63 HydrophobicContact CH2-CE1 3.57Å; W55-Y63 HydrophobicContact CZ2-CD1 4.24Å; W55-Y63 AromaticContact CZ2-CE1 3.82Å; W55-Y63 HydrophobicContact CZ2-CE1 3.82Å; W55-L64 HydrophobicContact CH2-CD2 4.15Å; W55-L64 HydrophobicContact CZ3-CD2 3.83Å; W55-L71 HydrophobicContact CZ3-CD1 4.33Å; W55-L71 HydrophobicContact CZ3-CD2 4.31Å |
| 56 | I | 86.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 177.4 | -63.5 | 172.7 | 0 | 0 | 0 | 110.6 | V52 R53 S58 A59 L64 L75 C104 L105 K108 | V52-I56 HydrophobicContact CG1-CD1 4.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.33Å; V52-I56 PolarHBondContact O-N 3.29Å; R53-I56 PolarHBondContact O-N 2.94Å; I56-S58 VanDerWaalsContact C-N 3.29Å; I56-S58 PolarHBondContact O-N 3.31Å; I56-A59 PolarHBondContact O-N 3.2Å; I56-L64 HydrophobicContact CG2-CD1 4.4Å; I56-L64 HydrophobicContact CG2-CD2 4.48Å; I56-L75 HydrophobicContact CD1-CD1 4.09Å; I56-C104 HydrophobicContact CG2-CB 4.43Å; I56-L105 HydrophobicContact CG2-CB 4.24Å; I56-L105 HydrophobicContact CG2-CD1 4.35Å; I56-K108 WeakPolarHBondContact O-CE 3.25Å; I56-K108 PolarHBondContact O-NZ 3.38Å |
| 57 | N | 84.9 | Confident | 85.4 | Confident | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -34.3 | 175.9 | -91.3 | -27.1 | 0 | 0 | 0 | 113.1 | R53 S54 W55 C104 K108 | R53-N57 WeakPolarHBondContact O-CB 3.34Å; R53-N57 PolarHBondContact O-N 3.35Å; S54-N57 PolarHBondContact O-N 2.97Å; W55-N57 VanDerWaalsContact C-N 3.3Å; W55-N57 PolarHBondContact O-N 3.32Å; N57-C104 PolarHBondContact OD1-SG 3Å; N57-K108 WeakPolarHBondContact O-CE 3.41Å; N57-K108 PolarHBondContact O-NZ 2.78Å |
| 58 | S | 83.5 | Confident | 85.2 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -86.8 | -21.2 | 178.9 | 68.3 | 0 | 0 | 0 | 0 | 115 | S54 W55 I56 | S54-S58 WeakPolarHBondContact O-CB 3.39Å; S54-S58 PolarHBondContact O-N 3.48Å; S54-S58 PolarHBondContact O-OG 3.04Å; W55-S58 WeakPolarHBondContact CA-OG 3.29Å; W55-S58 CarbonylContact O-C 3.57Å; W55-S58 PolarHBondContact O-N 2.84Å; W55-S58 PolarHBondContact O-OG 3.26Å; I56-S58 VanDerWaalsContact C-N 3.29Å; I56-S58 PolarHBondContact O-N 3.31Å |
| 59 | A | 80.5 | Confident | 84.9 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -67 | 145.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W55 I56 L64 K108 | W55-A59 HydrophobicContact CE3-CB 4.37Å; W55-A59 HydrophobicContact CH2-CB 4Å; W55-A59 HydrophobicContact CZ2-CB 4.22Å; W55-A59 HydrophobicContact CZ3-CB 4.11Å; W55-A59 WeakPolarHBondContact O-CB 3.05Å; W55-A59 PolarHBondContact O-N 2.88Å; I56-A59 PolarHBondContact O-N 3.2Å; A59-L64 HydrophobicContact CB-CD1 4.05Å; A59-L64 HydrophobicContact CB-CD2 3.79Å; A59-L64 HydrophobicContact CB-CG 3.84Å; A59-K108 PolarHBondContact O-NZ 2.94Å |
| 60 | N | 81.6 | Confident | 84.6 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | trans | -61.8 | 135.1 | 173.4 | -174.7 | 11 | 0 | 0 | 0 | 109.7 | D62 Y63 L64 | N60-D62 VanDerWaalsContact C-N 3.28Å; N60-D62 PolarHBondContact ND2-OD2 3.26Å; N60-D62 PolarHBondContact O-N 3.49Å; N60-Y63 PolarHBondContact O-N 2.93Å; N60-L64 PolarHBondContact O-N 2.96Å; N60-L64 VanDerWaalsContact O-N 3.15Å | ||
| 61 | N | 80.6 | Confident | 84.4 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | -179.3 | -69.5 | -14.2 | 0 | 0 | 0 | 111.2 | Y63 L64 E65 | N61-Y63 VanDerWaalsContact C-N 3.28Å; N61-Y63 PolarHBondContact O-N 2.84Å; N61-L64 WeakPolarHBondContact O-CB 3.5Å; N61-L64 PolarHBondContact O-N 3.4Å; N61-L64 VanDerWaalsContact O-N 3.08Å; N61-E65 VanDerWaalsContact O-CG 3.32Å; N61-E65 WeakPolarHBondContact O-CG 3.33Å; N61-E65 PolarHBondContact O-N 3.49Å |
| 62 | D | 80.8 | Confident | 84.5 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | 179.1 | -53 | -36.1 | 0 | 0 | 0 | 112 | N60 E65 E66 | N60-D62 VanDerWaalsContact C-N 3.28Å; N60-D62 PolarHBondContact ND2-OD2 3.26Å; N60-D62 PolarHBondContact O-N 3.49Å; D62-E65 PolarHBondContact O-N 3.15Å; D62-E66 PolarHBondContact O-N 2.9Å; D62-E66 VanDerWaalsContact O-N 3.08Å |
| 63 | Y | 84.3 | Confident | 84.3 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 178.3 | -176.8 | -88.5 | 0 | 0 | 0 | 112.1 | L16 W55 N60 N61 E65 N67 | L16-Y63 WeakPolarHBondContact CD2-OH 3.46Å; W55-Y63 AromaticContact CH2-CD1 3.88Å; W55-Y63 HydrophobicContact CH2-CD1 3.88Å; W55-Y63 AromaticContact CH2-CE1 3.57Å; W55-Y63 HydrophobicContact CH2-CE1 3.57Å; W55-Y63 HydrophobicContact CZ2-CD1 4.24Å; W55-Y63 AromaticContact CZ2-CE1 3.82Å; W55-Y63 HydrophobicContact CZ2-CE1 3.82Å; N60-Y63 PolarHBondContact O-N 2.93Å; N61-Y63 VanDerWaalsContact C-N 3.28Å; N61-Y63 PolarHBondContact O-N 2.84Å; Y63-E65 VanDerWaalsContact C-N 3.32Å; Y63-N67 HydrophobicContact CE1-CB 4.43Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.34Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.38Å; Y63-N67 VanDerWaalsContact CZ-ND2 3.34Å; Y63-N67 PolarHBondContact O-N 3.39Å; Y63-N67 VanDerWaalsContact O-N 3.12Å; Y63-N67 PolarHBondContact O-ND2 2.91Å |
| 64 | L | 85.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -36 | 176.8 | -67.3 | 175.4 | 0 | 0 | 0 | 111.5 | W55 I56 A59 N60 N61 L68 L71 L105 K108 T109 | W55-L64 HydrophobicContact CH2-CD2 4.15Å; W55-L64 HydrophobicContact CZ3-CD2 3.83Å; I56-L64 HydrophobicContact CG2-CD1 4.4Å; I56-L64 HydrophobicContact CG2-CD2 4.48Å; A59-L64 HydrophobicContact CB-CD1 4.05Å; A59-L64 HydrophobicContact CB-CD2 3.79Å; A59-L64 HydrophobicContact CB-CG 3.84Å; N60-L64 PolarHBondContact O-N 2.96Å; N60-L64 VanDerWaalsContact O-N 3.15Å; N61-L64 WeakPolarHBondContact O-CB 3.5Å; N61-L64 PolarHBondContact O-N 3.4Å; N61-L64 VanDerWaalsContact O-N 3.08Å; L64-L68 VanDerWaalsContact O-CA 3.32Å; L64-L68 WeakPolarHBondContact O-CA 3.46Å; L64-L68 VanDerWaalsContact O-CB 3.3Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3.09Å; L64-L68 VanDerWaalsContact O-N 3.1Å; L64-L71 HydrophobicContact CD2-CD1 3.8Å; L64-L105 HydrophobicContact CB-CD1 4.32Å; L64-L105 HydrophobicContact CD2-CD1 3.97Å; L64-K108 HydrophobicContact CD1-CB 4.18Å; L64-K108 HydrophobicContact CD1-CD 3.41Å; L64-K108 VanDerWaalsContact CD1-CD 3.41Å; L64-K108 HydrophobicContact CD1-CG 4.46Å; L64-T109 HydrophobicContact CB-CG2 4.13Å |
| 65 | E | 84.2 | Confident | 84.2 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 176.5 | -69.9 | -170.2 | 175.5 | 0 | 0 | 111.8 | N61 D62 Y63 L68 T109 L112 | N61-E65 VanDerWaalsContact O-CG 3.32Å; N61-E65 WeakPolarHBondContact O-CG 3.33Å; N61-E65 PolarHBondContact O-N 3.49Å; D62-E65 PolarHBondContact O-N 3.15Å; Y63-E65 VanDerWaalsContact C-N 3.32Å; E65-L68 WeakPolarHBondContact O-CB 3.44Å; E65-T109 HydrophobicContact CG-CG2 3.92Å; E65-L112 HydrophobicContact CB-CD1 3.54Å; E65-L112 HydrophobicContact CG-CD1 3.45Å; E65-L112 VanDerWaalsContact CG-CD1 3.45Å |
| 66 | E | 84.9 | Confident | 84.1 | Confident | 163 Ų | 163 | 52.4 Ų | 52.4 | 76% | 0.762 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 178 | -73 | -178.6 | 173.6 | 0 | 0 | 113.1 | D62 | D62-E66 PolarHBondContact O-N 2.9Å; D62-E66 VanDerWaalsContact O-N 3.08Å |
| 67 | N | 84 | Confident | 83.9 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 19% | 0.193 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 12 | -174.8 | -63.3 | -74.1 | 0 | 0 | 0 | 113.8 | Y63 G69 D70 L71 | Y63-N67 HydrophobicContact CE1-CB 4.43Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.34Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.38Å; Y63-N67 VanDerWaalsContact CZ-ND2 3.34Å; Y63-N67 PolarHBondContact O-N 3.39Å; Y63-N67 VanDerWaalsContact O-N 3.12Å; Y63-N67 PolarHBondContact O-ND2 2.91Å; N67-G69 VanDerWaalsContact C-N 3.33Å; N67-G69 PolarHBondContact O-N 3.18Å; N67-D70 PolarHBondContact O-N 3.47Å; N67-L71 HydrophobicContact CB-CD1 4.19Å; N67-L71 HydrophobicContact CB-CG 4.37Å; N67-L71 WeakPolarHBondContact O-CG 3.4Å; N67-L71 PolarHBondContact O-N 3Å |
| 68 | L | 85.2 | Confident | 83.9 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | -170.3 | -172 | 54.3 | 0 | 0 | 0 | 113.7 | L64 E65 R72 L105 T109 L112 | L64-L68 VanDerWaalsContact O-CA 3.32Å; L64-L68 WeakPolarHBondContact O-CA 3.46Å; L64-L68 VanDerWaalsContact O-CB 3.3Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3.09Å; L64-L68 VanDerWaalsContact O-N 3.1Å; E65-L68 WeakPolarHBondContact O-CB 3.44Å; L68-R72 HydrophobicContact CD1-CG 4.36Å; L68-R72 VanDerWaalsContact CD1-NE 3.27Å; L68-R72 VanDerWaalsContact CD1-NH2 3.31Å; L68-R72 VanDerWaalsContact CD2-CZ 3.43Å; L68-R72 WeakPolarHBondContact O-CB 3.42Å; L68-R72 VanDerWaalsContact O-CG 3.22Å; L68-R72 WeakPolarHBondContact O-CG 3.46Å; L68-R72 PolarHBondContact O-N 2.89Å; L68-R72 VanDerWaalsContact O-N 3.1Å; L68-L105 HydrophobicContact CD1-CD1 3.95Å; L68-L105 HydrophobicContact CD1-CD2 4.04Å; L68-L105 HydrophobicContact CD1-CG 3.84Å; L68-T109 HydrophobicContact CD1-CG2 4.14Å; L68-T109 WeakPolarHBondContact CD1-OG1 3.46Å; L68-L112 HydrophobicContact CD2-CB 3.49Å; L68-L112 VanDerWaalsContact CD2-CB 3.49Å; L68-L112 HydrophobicContact CD2-CD1 3.96Å; L68-L112 HydrophobicContact CD2-CG 4.41Å |
| 69 | G | 81.5 | Confident | 84 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N67 K73 | N67-G69 VanDerWaalsContact C-N 3.33Å; N67-G69 PolarHBondContact O-N 3.18Å; G69-K73 VanDerWaalsContact O-CG 3.31Å; G69-K73 WeakPolarHBondContact O-CG 3.19Å; G69-K73 PolarHBondContact O-N 3.5Å |
| 70 | D | 82.2 | Confident | 84.1 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -76.9 | -40.6 | -178.1 | -66.7 | -24.8 | 0 | 0 | 0 | 111.3 | N67 K73 C74 | N67-D70 PolarHBondContact O-N 3.47Å; D70-K73 PolarHBondContact O-N 3.48Å; D70-C74 WeakPolarHBondContact O-CB 3.28Å; D70-C74 PolarHBondContact O-N 3Å |
| 71 | L | 84.9 | Confident | 83.9 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.6 | -72.4 | 172.2 | 0 | 0 | 0 | 112.1 | I29 W55 L64 N67 K73 C74 L75 L105 | I29-L71 HydrophobicContact CD1-CD2 4Å; W55-L71 HydrophobicContact CZ3-CD1 4.33Å; W55-L71 HydrophobicContact CZ3-CD2 4.31Å; L64-L71 HydrophobicContact CD2-CD1 3.8Å; N67-L71 HydrophobicContact CB-CD1 4.19Å; N67-L71 HydrophobicContact CB-CG 4.37Å; N67-L71 WeakPolarHBondContact O-CG 3.4Å; N67-L71 PolarHBondContact O-N 3Å; L71-K73 PolarHBondContact O-N 3.49Å; L71-C74 PolarHBondContact O-N 3.05Å; L71-L75 WeakPolarHBondContact O-CB 3.41Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 2.96Å; L71-L105 HydrophobicContact CB-CD2 3.95Å; L71-L105 HydrophobicContact CD1-CD1 4.3Å |
| 72 | R | 88.2 | Confident | 83.6 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 177 | -72.1 | 171.8 | -174.6 | 170.9 | 3.5 | 111.9 | L68 M76 L105 W113 W119 | L68-R72 HydrophobicContact CD1-CG 4.36Å; L68-R72 VanDerWaalsContact CD1-NE 3.27Å; L68-R72 VanDerWaalsContact CD1-NH2 3.31Å; L68-R72 VanDerWaalsContact CD2-CZ 3.43Å; L68-R72 WeakPolarHBondContact O-CB 3.42Å; L68-R72 VanDerWaalsContact O-CG 3.22Å; L68-R72 WeakPolarHBondContact O-CG 3.46Å; L68-R72 PolarHBondContact O-N 2.89Å; L68-R72 VanDerWaalsContact O-N 3.1Å; R72-M76 WeakPolarHBondContact O-CB 3.45Å; R72-M76 WeakPolarHBondContact O-CG 3.36Å; R72-M76 PolarHBondContact O-N 3.24Å; R72-L105 HydrophobicContact CG-CD2 3.81Å; R72-W113 HydrophobicContact CG-CH2 3.82Å; R72-W113 HydrophobicContact CG-CZ2 4.2Å; R72-W113 HydrophobicContact CG-CZ3 4Å; R72-W113 VanDerWaalsContact NH1-CG 3.29Å; R72-W113 VanDerWaalsContact NH2-CE3 3.26Å; R72-W119 HydrophobicContact CB-CH2 4.04Å; R72-W119 HydrophobicContact CB-CZ3 4.39Å |
| 73 | K | 83.8 | Confident | 83.3 | Confident | 83 Ų | 83 | 41.6 Ų | 41.6 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.5 | -75.2 | 174.8 | -175.6 | 174.3 | 0 | 111.6 | M1 G69 D70 L71 M76 Q77 | M1-K73 PolarHBondContact SD-NZ 3.05Å; M1-K73 VanDerWaalsContact SD-NZ 3.37Å; G69-K73 VanDerWaalsContact O-CG 3.31Å; G69-K73 WeakPolarHBondContact O-CG 3.19Å; G69-K73 PolarHBondContact O-N 3.5Å; D70-K73 PolarHBondContact O-N 3.48Å; L71-K73 PolarHBondContact O-N 3.49Å; K73-M76 PolarHBondContact O-N 2.9Å; K73-Q77 WeakPolarHBondContact O-CB 3.19Å; K73-Q77 PolarHBondContact O-N 3.33Å |
| 74 | C | 84 | Confident | 82.4 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 17% | 0.169 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -47.8 | -179.7 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | F33 D70 L71 M76 Q77 K78 | F33-C74 VanDerWaalsContact CE1-SG 3.53Å; F33-C74 HydrophobicContact CZ-CB 4.37Å; D70-C74 WeakPolarHBondContact O-CB 3.28Å; D70-C74 PolarHBondContact O-N 3Å; L71-C74 PolarHBondContact O-N 3.05Å; C74-M76 PolarHBondContact O-N 3.22Å; C74-Q77 PolarHBondContact O-N 2.92Å; C74-K78 PolarHBondContact O-N 3.06Å |
| 75 | L | 88.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 175.9 | -74.2 | 171.9 | 0 | 0 | 0 | 111.5 | F33 V52 I56 L71 K78 I79 L98 L102 L105 | F33-L75 HydrophobicContact CE1-CD2 4.24Å; F33-L75 HydrophobicContact CZ-CD2 4.22Å; V52-L75 HydrophobicContact CG1-CD2 3.83Å; I56-L75 HydrophobicContact CD1-CD1 4.09Å; L71-L75 WeakPolarHBondContact O-CB 3.41Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 2.96Å; L75-K78 PolarHBondContact O-N 3.06Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 3.02Å; L75-L98 HydrophobicContact CD2-CD2 3.97Å; L75-L102 HydrophobicContact CB-CD1 4.09Å; L75-L102 HydrophobicContact CD1-CB 4.4Å; L75-L102 HydrophobicContact CD1-CD1 3.86Å; L75-L105 HydrophobicContact CD1-CD2 4.18Å |
| 76 | M | 86.9 | Confident | 80.3 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.8 | -77.3 | -53.8 | -65.1 | 0 | 0 | 112.5 | R72 K73 C74 K78 I79 L80 L102 W119 I120 V123 L124 | R72-M76 WeakPolarHBondContact O-CB 3.45Å; R72-M76 WeakPolarHBondContact O-CG 3.36Å; R72-M76 PolarHBondContact O-N 3.24Å; K73-M76 PolarHBondContact O-N 2.9Å; C74-M76 PolarHBondContact O-N 3.22Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 3.32Å; M76-I79 PolarHBondContact O-N 3.2Å; M76-I79 HydrophobicContact SD-CD1 4.02Å; M76-L80 VanDerWaalsContact O-CG 3.29Å; M76-L80 WeakPolarHBondContact O-CG 3.32Å; M76-L80 PolarHBondContact O-N 3.08Å; M76-L102 HydrophobicContact SD-CD2 3.73Å; M76-W119 HydrophobicContact CB-CH2 4.23Å; M76-W119 HydrophobicContact CG-CH2 3.51Å; M76-W119 HydrophobicContact CG-CZ3 3.43Å; M76-W119 VanDerWaalsContact CG-CZ3 3.43Å; M76-W119 HydrophobicContact SD-CZ3 4.36Å; M76-I120 HydrophobicContact CE-CG2 4.04Å; M76-I120 HydrophobicContact SD-CG2 4.04Å; M76-V123 HydrophobicContact CB-CG1 4.48Å; M76-V123 HydrophobicContact CE-CB 3.96Å; M76-V123 HydrophobicContact CE-CG1 3.49Å; M76-V123 VanDerWaalsContact CE-CG1 3.49Å; M76-L124 HydrophobicContact CE-CD2 4.24Å; M76-L124 HydrophobicContact CE-CG 4.23Å |
| 77 | Q | 83.3 | Confident | 79.2 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 176 | -178.5 | -179.8 | -15 | 0 | 0 | 111 | K73 C74 L80 E81 | K73-Q77 WeakPolarHBondContact O-CB 3.19Å; K73-Q77 PolarHBondContact O-N 3.33Å; C74-Q77 PolarHBondContact O-N 2.92Å; Q77-L80 PolarHBondContact O-N 2.69Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.19Å; Q77-E81 PolarHBondContact NE2-OE1 3.01Å; Q77-E81 WeakPolarHBondContact O-CG 3.32Å; Q77-E81 PolarHBondContact O-N 3.05Å |
| 78 | K | 84 | Confident | 78.7 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.3 | -70.1 | -52.1 | -170.8 | 174.7 | 0 | 112.4 | F33 I36 C74 L75 M76 L80 E81 F82 L98 | F33-K78 HydrophobicContact CD1-CG 4.03Å; F33-K78 HydrophobicContact CE1-CG 4.23Å; I36-K78 HydrophobicContact CG2-CB 4.19Å; I36-K78 HydrophobicContact CG2-CD 4.23Å; I36-K78 HydrophobicContact CG2-CG 4.21Å; I36-K78 WeakPolarHBondContact O-CE 3.41Å; I36-K78 PolarHBondContact O-NZ 3.33Å; C74-K78 PolarHBondContact O-N 3.06Å; L75-K78 PolarHBondContact O-N 3.06Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 3.32Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 3.31Å; K78-E81 VanDerWaalsContact CD-OE2 3.25Å; K78-E81 WeakPolarHBondContact CD-OE2 3.47Å; K78-E81 IonicContact NZ-OE2 2.68Å; K78-E81 PolarHBondContact NZ-OE2 3.01Å; K78-E81 PolarHBondContact O-N 3.46Å; K78-F82 VanDerWaalsContact O-CD2 3.25Å; K78-F82 WeakPolarHBondContact O-CD2 3.43Å; K78-F82 PolarHBondContact O-N 3.19Å; K78-L98 HydrophobicContact CB-CD1 4.15Å |
| 79 | I | 85.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 174.9 | -70 | 163.2 | 0 | 0 | 0 | 110.9 | L75 M76 F82 N83 I95 L98 Y99 | L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 3.02Å; M76-I79 PolarHBondContact O-N 3.2Å; M76-I79 HydrophobicContact SD-CD1 4.02Å; I79-F82 PolarHBondContact O-N 2.87Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.46Å; I79-N83 WeakPolarHBondContact O-CB 3.34Å; I79-N83 PolarHBondContact O-N 3.24Å; I79-N83 PolarHBondContact O-ND2 3.46Å; I79-N83 VanDerWaalsContact O-ND2 3.1Å; I79-I95 HydrophobicContact CG2-CG2 4.47Å; I79-L98 HydrophobicContact CD1-CB 4.1Å; I79-L98 HydrophobicContact CG1-CB 3.7Å; I79-L98 HydrophobicContact CG1-CD1 4.07Å; I79-Y99 HydrophobicContact CD1-CD1 3.84Å; I79-Y99 HydrophobicContact CD1-CE1 3.89Å; I79-Y99 HydrophobicContact CD1-CG 4.46Å; I79-Y99 HydrophobicContact CG2-CE1 4Å; I79-Y99 HydrophobicContact CG2-CE2 4.34Å; I79-Y99 WeakPolarHBondContact CG2-OH 3.5Å |
| 80 | L | 81.6 | Confident | 77.9 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 178.5 | -66.7 | -177.9 | 0 | 0 | 0 | 112.9 | M76 Q77 K78 F82 N83 C84 V123 L124 A127 | M76-L80 VanDerWaalsContact O-CG 3.29Å; M76-L80 WeakPolarHBondContact O-CG 3.32Å; M76-L80 PolarHBondContact O-N 3.08Å; Q77-L80 PolarHBondContact O-N 2.69Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 3.31Å; L80-F82 VanDerWaalsContact C-N 3.29Å; L80-F82 PolarHBondContact O-N 3.36Å; L80-N83 PolarHBondContact O-N 2.84Å; L80-N83 VanDerWaalsContact O-N 3.14Å; L80-C84 PolarHBondContact O-N 2.9Å; L80-C84 PolarHBondContact O-SG 2.83Å; L80-V123 HydrophobicContact CD1-CG1 3.99Å; L80-L124 HydrophobicContact CD2-CD2 4.11Å; L80-A127 HydrophobicContact CD1-CB 4.17Å; L80-A127 HydrophobicContact CD2-CB 3.33Å; L80-A127 HydrophobicContact CG-CB 4.32Å |
| 81 | E | 78 | Confident | 77.8 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.4 | -45.4 | 174.9 | -76.8 | 172.3 | -166.7 | 0 | 0 | 111.3 | Q77 K78 H85 | Q77-E81 WeakPolarHBondContact CG-OE1 3.19Å; Q77-E81 PolarHBondContact NE2-OE1 3.01Å; Q77-E81 WeakPolarHBondContact O-CG 3.32Å; Q77-E81 PolarHBondContact O-N 3.05Å; K78-E81 VanDerWaalsContact CD-OE2 3.25Å; K78-E81 WeakPolarHBondContact CD-OE2 3.47Å; K78-E81 IonicContact NZ-OE2 2.68Å; K78-E81 PolarHBondContact NZ-OE2 3.01Å; K78-E81 PolarHBondContact O-N 3.46Å; E81-H85 PolarHBondContact O-CD2 3.47Å; E81-H85 VanDerWaalsContact O-CD2 3.24Å |
| 82 | F | 75.4 | Confident | 77.7 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 177.4 | -87.5 | -92.8 | 0 | 0 | 0 | 113.1 | I36 Q45 K78 I79 L80 H85 I95 | I36-F82 HydrophobicContact CB-CE2 4.36Å; I36-F82 HydrophobicContact CG2-CD2 4.12Å; I36-F82 HydrophobicContact CG2-CE2 3.28Å; I36-F82 HydrophobicContact CG2-CZ 3.85Å; Q45-F82 HydrophobicContact CB-CE1 3.98Å; Q45-F82 HydrophobicContact CB-CZ 3.91Å; Q45-F82 HydrophobicContact CG-CE1 3.9Å; Q45-F82 HydrophobicContact CG-CZ 3.73Å; K78-F82 VanDerWaalsContact O-CD2 3.25Å; K78-F82 WeakPolarHBondContact O-CD2 3.43Å; K78-F82 PolarHBondContact O-N 3.19Å; I79-F82 PolarHBondContact O-N 2.87Å; L80-F82 VanDerWaalsContact C-N 3.29Å; L80-F82 PolarHBondContact O-N 3.36Å; F82-H85 PolarHBondContact O-N 3.25Å; F82-I95 HydrophobicContact CB-CD1 3.87Å; F82-I95 HydrophobicContact CB-CG1 3.72Å; F82-I95 HydrophobicContact CD1-CG1 4.48Å; F82-I95 HydrophobicContact CG-CG1 4.31Å |
| 83 | N | 74.1 | Confident | 77.6 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.064 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 178.1 | -79.8 | -34.4 | 0 | 0 | 0 | 112.4 | I79 L80 H85 S86 Q156 N160 | I79-N83 WeakPolarHBondContact CG2-ND2 3.46Å; I79-N83 WeakPolarHBondContact O-CB 3.34Å; I79-N83 PolarHBondContact O-N 3.24Å; I79-N83 PolarHBondContact O-ND2 3.46Å; I79-N83 VanDerWaalsContact O-ND2 3.1Å; L80-N83 PolarHBondContact O-N 2.84Å; L80-N83 VanDerWaalsContact O-N 3.14Å; N83-H85 PolarHBondContact O-N 3.2Å; N83-S86 PolarHBondContact O-N 2.91Å; N83-S86 VanDerWaalsContact O-N 3.15Å; N83-Q156 PolarHBondContact O-NE2 3.4Å; N83-Q156 PolarHBondContact O-OE1 2.85Å; N83-Q156 PolarHBondContact OD1-NE2 3.27Å; N83-N160 PolarHBondContact ND2-ND2 3.4Å; N83-N160 PolarHBondContact OD1-ND2 2.97Å |
| 84 | C | 64.6 | Low | 77.8 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 72% | 0.723 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -16 | 179 | -69.7 | 0 | 0 | 0 | 0 | 114.8 | L80 | L80-C84 PolarHBondContact O-N 2.9Å; L80-C84 PolarHBondContact O-SG 2.83Å |
| 85 | H | 61.9 | Low | 77.9 | Confident | 145 Ų | 145 | 47.6 Ų | 47.6 | 67% | 0.671 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -3.4 | -176.6 | -60.6 | -56.4 | 0 | 0 | 0 | 114.7 | C38 E81 F82 N83 | C38-H85 PolarHBondContact SG-CD2 3.03Å; E81-H85 PolarHBondContact O-CD2 3.47Å; E81-H85 VanDerWaalsContact O-CD2 3.24Å; F82-H85 PolarHBondContact O-N 3.25Å; N83-H85 PolarHBondContact O-N 3.2Å |
| 86 | S | 64.1 | Low | 78 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | trans | -105.6 | 136 | 179.5 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | N83 S88 Q156 | N83-S86 PolarHBondContact O-N 2.91Å; N83-S86 VanDerWaalsContact O-N 3.15Å; S86-S88 WeakPolarHBondContact OG-CB 3.48Å; S86-S88 PolarHBondContact OG-N 3.32Å; S86-S88 VanDerWaalsContact OG-N 3.08Å; S86-S88 PolarHBondContact OG-O 3.48Å; S86-Q156 PolarHBondContact O-NE2 3.47Å; S86-Q156 PolarHBondContact O-OE1 3.12Å | ||
| 87 | T | 62.5 | Low | 78.2 | Confident | 148 Ų | 148 | 50.9 Ų | 50.9 | 91% | 0.908 | 28% | 0.283 | S | S | * | . | trans | -100.1 | -0.4 | 166.4 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 88 | S | 73.3 | Confident | 78.5 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | trans | -82.2 | 140.9 | -178.1 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | S86 I90 Q156 | S86-S88 WeakPolarHBondContact OG-CB 3.48Å; S86-S88 PolarHBondContact OG-N 3.32Å; S86-S88 VanDerWaalsContact OG-N 3.08Å; S86-S88 PolarHBondContact OG-O 3.48Å; S88-I90 VanDerWaalsContact C-N 3.26Å; S88-I90 PolarHBondContact OG-N 3Å; S88-I90 PolarHBondContact OG-O 3.31Å; S88-Q156 WeakPolarHBondContact O-CG 3.22Å | ||
| 89 | H | 72.9 | Confident | 78.9 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -76.4 | -15.5 | 169.7 | 68.1 | -80.9 | 0 | 0 | 0 | 112.9 | K155 G159 E211 I212 | H89-K155 HydrophobicContact CB-CG 4.18Å; H89-G159 WeakPolarHBondContact O-CA 3.27Å; H89-E211 IonicContact CE1-OE2 3.46Å; H89-E211 PolarHBondContact CE1-OE2 3.08Å; H89-E211 IonicContact CG-OE2 3.43Å; H89-E211 IonicContact ND1-OE2 3.78Å; H89-E211 PolarHBondContact ND1-OE2 3.35Å; H89-E211 IonicContact NE2-OE2 3.84Å; H89-I212 HydrophobicContact CB-CD1 4.21Å |
| 90 | I | 76.8 | Confident | 79.2 | Confident | 105 Ų | 105 | 46.9 Ų | 46.9 | 54% | 0.538 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -91.1 | 121.4 | 174.5 | -53.8 | 176.7 | 0 | 0 | 0 | 108 | S88 | S88-I90 VanDerWaalsContact C-N 3.26Å; S88-I90 PolarHBondContact OG-N 3Å; S88-I90 PolarHBondContact OG-O 3.31Å |
| 91 | P | 78.9 | Confident | 79.7 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 145.1 | 174.7 | -25.5 | 37.4 | 0 | 0 | 0 | 111.7 | I95 N160 H163 | P91-I95 HydrophobicContact CB-CB 3.96Å; P91-I95 HydrophobicContact CB-CG2 3.8Å; P91-N160 WeakPolarHBondContact CG-OD1 3.38Å; P91-H163 HydrophobicContact CG-CB 3.84Å |
| 92 | T | 84.1 | Confident | 80.3 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 155.5 | 171.6 | 64.4 | 0 | 0 | 0 | 0 | 109.9 | A94 I95 T96 | T92-A94 PolarHBondContact O-N 2.86Å; T92-I95 HydrophobicContact CG2-CD1 4.42Å; T92-I95 WeakPolarHBondContact O-CA 3.47Å; T92-I95 WeakPolarHBondContact O-CB 3.3Å; T92-I95 PolarHBondContact O-N 3.01Å; T92-I95 WeakPolarHBondContact OG1-CD1 3.46Å; T92-I95 WeakPolarHBondContact OG1-CG1 3.37Å; T92-T96 PolarHBondContact O-N 2.9Å; T92-T96 PolarHBondContact O-OG1 3.4Å |
| 93 | P | 86.4 | Confident | 81.1 | Confident | 88 Ų | 88 | 41.7 Ų | 41.7 | 57% | 0.571 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -52.7 | -33.4 | 178.9 | -29.5 | 35.9 | 0 | 0 | 0 | 113.9 | L46 K97 | L46-P93 HydrophobicContact CD1-CB 3.99Å; L46-P93 HydrophobicContact CD2-CB 4.27Å; P93-K97 PolarHBondContact O-N 3.28Å |
| 94 | A | 86.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q45 A49 T92 K97 L98 | Q45-A94 HydrophobicContact CB-CB 4.24Å; A49-A94 HydrophobicContact CB-CB 4.47Å; T92-A94 PolarHBondContact O-N 2.86Å; A94-K97 PolarHBondContact O-N 3.2Å; A94-L98 WeakPolarHBondContact O-CG 3.31Å; A94-L98 PolarHBondContact O-N 3.46Å |
| 95 | I | 87.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.9 | -62.7 | 168 | 0 | 0 | 0 | 110.6 | I79 F82 P91 T92 K97 L98 Y99 | I79-I95 HydrophobicContact CG2-CG2 4.47Å; F82-I95 HydrophobicContact CB-CD1 3.87Å; F82-I95 HydrophobicContact CB-CG1 3.72Å; F82-I95 HydrophobicContact CD1-CG1 4.48Å; F82-I95 HydrophobicContact CG-CG1 4.31Å; P91-I95 HydrophobicContact CB-CB 3.96Å; P91-I95 HydrophobicContact CB-CG2 3.8Å; T92-I95 HydrophobicContact CG2-CD1 4.42Å; T92-I95 WeakPolarHBondContact O-CA 3.47Å; T92-I95 WeakPolarHBondContact O-CB 3.3Å; T92-I95 PolarHBondContact O-N 3.01Å; T92-I95 WeakPolarHBondContact OG1-CD1 3.46Å; T92-I95 WeakPolarHBondContact OG1-CG1 3.37Å; I95-K97 VanDerWaalsContact C-N 3.28Å; I95-K97 PolarHBondContact O-N 3Å; I95-L98 WeakPolarHBondContact O-CB 3.3Å; I95-L98 PolarHBondContact O-N 2.92Å; I95-L98 VanDerWaalsContact O-N 3.09Å; I95-Y99 HydrophobicContact CG2-CD2 3.7Å; I95-Y99 HydrophobicContact CG2-CE2 3.43Å; I95-Y99 VanDerWaalsContact CG2-CE2 3.43Å; I95-Y99 WeakPolarHBondContact O-CD2 3.29Å; I95-Y99 PolarHBondContact O-N 3.44Å |
| 96 | T | 89.8 | Confident | 84.4 | Confident | 29 Ų | 29 | 29.7 Ų | 29.7 | 18% | 0.178 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.4 | -47.9 | 173.6 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | T92 L98 Y99 E100 H163 L167 | T92-T96 PolarHBondContact O-N 2.9Å; T92-T96 PolarHBondContact O-OG1 3.4Å; T96-L98 VanDerWaalsContact C-N 3.32Å; T96-L98 PolarHBondContact O-N 3.04Å; T96-Y99 PolarHBondContact O-N 3.43Å; T96-E100 WeakPolarHBondContact O-CG 3.34Å; T96-E100 PolarHBondContact O-N 2.97Å; T96-H163 WeakPolarHBondContact CG2-NE2 3.44Å; T96-H163 PolarHBondContact OG1-NE2 3.12Å; T96-L167 HydrophobicContact CG2-CD1 4.2Å; T96-L167 HydrophobicContact CG2-CD2 4.09Å |
| 97 | K | 90.4 | Very high | 85.6 | Confident | 46 Ų | 46 | 29.3 Ų | 29.3 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -33.3 | 178.3 | -149.3 | 83.3 | -156.9 | 153.3 | 0 | 113.5 | L46 A49 I50 R53 P93 A94 I95 E100 S101 | L46-K97 HydrophobicContact CD1-CB 4.49Å; A49-K97 HydrophobicContact CB-CB 3.82Å; A49-K97 HydrophobicContact CB-CG 4.26Å; I50-K97 HydrophobicContact CG1-CD 3.82Å; I50-K97 HydrophobicContact CG1-CG 3.91Å; R53-K97 VanDerWaalsContact CD-CE 3.47Å; P93-K97 PolarHBondContact O-N 3.28Å; A94-K97 PolarHBondContact O-N 3.2Å; I95-K97 VanDerWaalsContact C-N 3.28Å; I95-K97 PolarHBondContact O-N 3Å; K97-E100 WeakPolarHBondContact CD-OE2 3.4Å; K97-E100 WeakPolarHBondContact CE-OE2 3.42Å; K97-E100 IonicContact NZ-OE1 3.88Å; K97-E100 IonicContact NZ-OE2 3.93Å; K97-E100 PolarHBondContact NZ-OE2 2.99Å; K97-S101 WeakPolarHBondContact O-CB 3.43Å; K97-S101 PolarHBondContact O-N 3.05Å; K97-S101 PolarHBondContact O-OG 2.88Å |
| 98 | L | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.4 | -40 | 173.7 | -72.8 | 173.7 | 0 | 0 | 0 | 112 | I36 A49 L75 K78 I79 A94 I95 T96 S101 L102 | I36-L98 HydrophobicContact CD1-CD2 4.07Å; I36-L98 HydrophobicContact CG2-CD1 4.12Å; A49-L98 HydrophobicContact CB-CD2 4.25Å; A49-L98 HydrophobicContact CB-CG 4.12Å; L75-L98 HydrophobicContact CD2-CD2 3.97Å; K78-L98 HydrophobicContact CB-CD1 4.15Å; I79-L98 HydrophobicContact CD1-CB 4.1Å; I79-L98 HydrophobicContact CG1-CB 3.7Å; I79-L98 HydrophobicContact CG1-CD1 4.07Å; A94-L98 WeakPolarHBondContact O-CG 3.31Å; A94-L98 PolarHBondContact O-N 3.46Å; I95-L98 WeakPolarHBondContact O-CB 3.3Å; I95-L98 PolarHBondContact O-N 2.92Å; I95-L98 VanDerWaalsContact O-N 3.09Å; T96-L98 VanDerWaalsContact C-N 3.32Å; T96-L98 PolarHBondContact O-N 3.04Å; L98-S101 VanDerWaalsContact O-CB 3.31Å; L98-S101 WeakPolarHBondContact O-CB 3.47Å; L98-S101 PolarHBondContact O-N 3.37Å; L98-L102 PolarHBondContact O-N 3.42Å |
| 99 | Y | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 172.4 | -78.8 | -54 | 0 | 0 | 0 | 111.8 | I79 I95 T96 S101 L102 I103 L164 L167 | I79-Y99 HydrophobicContact CD1-CD1 3.84Å; I79-Y99 HydrophobicContact CD1-CE1 3.89Å; I79-Y99 HydrophobicContact CD1-CG 4.46Å; I79-Y99 HydrophobicContact CG2-CE1 4Å; I79-Y99 HydrophobicContact CG2-CE2 4.34Å; I79-Y99 WeakPolarHBondContact CG2-OH 3.5Å; I95-Y99 HydrophobicContact CG2-CD2 3.7Å; I95-Y99 HydrophobicContact CG2-CE2 3.43Å; I95-Y99 VanDerWaalsContact CG2-CE2 3.43Å; I95-Y99 WeakPolarHBondContact O-CD2 3.29Å; I95-Y99 PolarHBondContact O-N 3.44Å; T96-Y99 PolarHBondContact O-N 3.43Å; Y99-S101 PolarHBondContact O-N 3.35Å; Y99-L102 WeakPolarHBondContact O-CB 3.3Å; Y99-L102 PolarHBondContact O-N 3.02Å; Y99-L102 VanDerWaalsContact O-N 3.1Å; Y99-I103 WeakPolarHBondContact O-CG1 3.34Å; Y99-I103 PolarHBondContact O-N 2.87Å; Y99-L164 HydrophobicContact CD1-CB 4.5Å; Y99-L164 HydrophobicContact CD1-CD1 3.75Å; Y99-L164 HydrophobicContact CE1-CD1 4.32Å; Y99-L164 HydrophobicContact CG-CD1 4.34Å; Y99-L167 HydrophobicContact CG-CD1 4.49Å |
| 100 | E | 91.7 | Very high | 88 | Confident | 25 Ų | 25 | 21.3 Ų | 21.3 | 12% | 0.117 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -36.8 | 172.9 | -67.4 | 169.5 | 159.3 | 0 | 0 | 112.2 | R53 T96 K97 L102 I103 C104 L167 | R53-E100 IonicContact CZ-OE2 3.5Å; R53-E100 IonicContact NE-OE2 2.96Å; R53-E100 IonicContact NH1-OE1 3.16Å; R53-E100 PolarHBondContact NH1-OE1 3.05Å; R53-E100 IonicContact NH1-OE2 3.39Å; R53-E100 PolarHBondContact NH1-OE2 3.09Å; T96-E100 WeakPolarHBondContact O-CG 3.34Å; T96-E100 PolarHBondContact O-N 2.97Å; K97-E100 WeakPolarHBondContact CD-OE2 3.4Å; K97-E100 WeakPolarHBondContact CE-OE2 3.42Å; K97-E100 IonicContact NZ-OE1 3.88Å; K97-E100 IonicContact NZ-OE2 3.93Å; K97-E100 PolarHBondContact NZ-OE2 2.99Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-I103 PolarHBondContact O-N 3.36Å; E100-C104 WeakPolarHBondContact O-CB 3.38Å; E100-C104 PolarHBondContact O-N 3.46Å; E100-L167 HydrophobicContact CG-CD1 4.4Å; E100-L167 HydrophobicContact CG-CD2 4.23Å |
| 101 | S | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | R53 K97 L98 Y99 L105 | R53-S101 WeakPolarHBondContact CA-OG 3.47Å; R53-S101 VanDerWaalsContact CB-OG 3.27Å; R53-S101 WeakPolarHBondContact CB-OG 3.43Å; R53-S101 PolarHBondContact N-OG 3.31Å; K97-S101 WeakPolarHBondContact O-CB 3.43Å; K97-S101 PolarHBondContact O-N 3.05Å; K97-S101 PolarHBondContact O-OG 2.88Å; L98-S101 VanDerWaalsContact O-CB 3.31Å; L98-S101 WeakPolarHBondContact O-CB 3.47Å; L98-S101 PolarHBondContact O-N 3.37Å; Y99-S101 PolarHBondContact O-N 3.35Å; S101-L105 WeakPolarHBondContact O-CB 3.34Å; S101-L105 PolarHBondContact O-N 2.9Å |
| 102 | L | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.6 | -166.5 | 68.8 | 0 | 0 | 0 | 111.9 | L75 M76 L98 Y99 E100 L105 Y106 W113 I120 | L75-L102 HydrophobicContact CB-CD1 4.09Å; L75-L102 HydrophobicContact CD1-CB 4.4Å; L75-L102 HydrophobicContact CD1-CD1 3.86Å; M76-L102 HydrophobicContact SD-CD2 3.73Å; L98-L102 PolarHBondContact O-N 3.42Å; Y99-L102 WeakPolarHBondContact O-CB 3.3Å; Y99-L102 PolarHBondContact O-N 3.02Å; Y99-L102 VanDerWaalsContact O-N 3.1Å; E100-L102 VanDerWaalsContact C-N 3.34Å; L102-L105 WeakPolarHBondContact O-CB 3.39Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-Y106 PolarHBondContact O-N 3.07Å; L102-W113 HydrophobicContact CD1-CH2 3.85Å; L102-W113 HydrophobicContact CD1-CZ3 4.38Å; L102-W113 HydrophobicContact CG-CH2 4.03Å; L102-W113 HydrophobicContact CG-CZ3 4.5Å; L102-I120 HydrophobicContact CD2-CD1 3.52Å; L102-I120 HydrophobicContact CD2-CG1 3.89Å; L102-I120 HydrophobicContact CD2-CG2 4.46Å; L102-I120 HydrophobicContact CG-CD1 4.25Å |
| 103 | I | 91.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 175.2 | -67.3 | 160 | 0 | 0 | 0 | 110.6 | Y99 E100 L105 Y106 F107 L164 L167 I168 E171 | Y99-I103 WeakPolarHBondContact O-CG1 3.34Å; Y99-I103 PolarHBondContact O-N 2.87Å; E100-I103 PolarHBondContact O-N 3.36Å; I103-L105 VanDerWaalsContact C-N 3.32Å; I103-L105 PolarHBondContact O-N 3.32Å; I103-Y106 WeakPolarHBondContact O-CA 3.06Å; I103-Y106 WeakPolarHBondContact O-CB 3.27Å; I103-Y106 PolarHBondContact O-N 3.49Å; I103-Y106 VanDerWaalsContact O-N 3.11Å; I103-F107 HydrophobicContact CG2-CD1 4.32Å; I103-F107 HydrophobicContact CG2-CD2 4.18Å; I103-F107 HydrophobicContact CG2-CE1 3.94Å; I103-F107 HydrophobicContact CG2-CE2 3.79Å; I103-F107 HydrophobicContact CG2-CG 4.44Å; I103-F107 HydrophobicContact CG2-CZ 3.65Å; I103-F107 PolarHBondContact O-N 3.37Å; I103-L164 HydrophobicContact CD1-CD1 4.22Å; I103-L164 HydrophobicContact CG1-CD1 4.3Å; I103-L167 HydrophobicContact CD1-CB 3.57Å; I103-I168 HydrophobicContact CD1-CB 4.07Å; I103-I168 HydrophobicContact CG1-CB 4.27Å; I103-I168 HydrophobicContact CG2-CG1 4.21Å; I103-E171 HydrophobicContact CG2-CB 3.99Å; I103-E171 HydrophobicContact CG2-CG 4.4Å |
| 104 | C | 90.3 | Very high | 88.1 | Confident | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.054 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -44.4 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | I56 N57 E100 Y106 F107 K108 | I56-C104 HydrophobicContact CG2-CB 4.43Å; N57-C104 PolarHBondContact OD1-SG 3Å; E100-C104 WeakPolarHBondContact O-CB 3.38Å; E100-C104 PolarHBondContact O-N 3.46Å; C104-Y106 VanDerWaalsContact C-N 3.31Å; C104-Y106 PolarHBondContact O-N 3.42Å; C104-F107 PolarHBondContact O-N 2.92Å; C104-K108 PolarHBondContact O-N 2.86Å |
| 105 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 175.1 | -176.9 | 63.6 | 0 | 0 | 0 | 111.5 | I56 L64 L68 L71 R72 L75 S101 L102 I103 K108 T109 | I56-L105 HydrophobicContact CG2-CB 4.24Å; I56-L105 HydrophobicContact CG2-CD1 4.35Å; L64-L105 HydrophobicContact CB-CD1 4.32Å; L64-L105 HydrophobicContact CD2-CD1 3.97Å; L68-L105 HydrophobicContact CD1-CD1 3.95Å; L68-L105 HydrophobicContact CD1-CD2 4.04Å; L68-L105 HydrophobicContact CD1-CG 3.84Å; L71-L105 HydrophobicContact CB-CD2 3.95Å; L71-L105 HydrophobicContact CD1-CD1 4.3Å; R72-L105 HydrophobicContact CG-CD2 3.81Å; L75-L105 HydrophobicContact CD1-CD2 4.18Å; S101-L105 WeakPolarHBondContact O-CB 3.34Å; S101-L105 PolarHBondContact O-N 2.9Å; L102-L105 WeakPolarHBondContact O-CB 3.39Å; L102-L105 PolarHBondContact O-N 3.46Å; I103-L105 VanDerWaalsContact C-N 3.32Å; I103-L105 PolarHBondContact O-N 3.32Å; L105-K108 PolarHBondContact O-N 3.2Å; L105-T109 PolarHBondContact O-N 3.46Å; L105-T109 VanDerWaalsContact O-N 3.12Å; L105-T109 PolarHBondContact O-OG1 3.45Å |
| 106 | Y | 90 | Very high | 87.8 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -49.1 | 173.9 | 171 | -122.3 | 0 | 0 | 0 | 112.2 | L102 I103 C104 K108 T109 P110 W113 P116 I168 I185 I189 | L102-Y106 PolarHBondContact O-N 3.07Å; I103-Y106 WeakPolarHBondContact O-CA 3.06Å; I103-Y106 WeakPolarHBondContact O-CB 3.27Å; I103-Y106 PolarHBondContact O-N 3.49Å; I103-Y106 VanDerWaalsContact O-N 3.11Å; C104-Y106 VanDerWaalsContact C-N 3.31Å; C104-Y106 PolarHBondContact O-N 3.42Å; Y106-K108 PolarHBondContact O-N 2.97Å; Y106-T109 CarbonylContact O-C 3.49Å; Y106-T109 VanDerWaalsContact O-C 3.25Å; Y106-T109 PolarHBondContact O-N 3.36Å; Y106-P110 HydrophobicContact CE2-CB 4.3Å; Y106-P110 WeakPolarHBondContact O-CA 3.47Å; Y106-P110 WeakPolarHBondContact O-CD 3.21Å; Y106-W113 HydrophobicContact CD2-CB 3.85Å; Y106-W113 HydrophobicContact CD2-CD2 4.33Å; Y106-W113 AromaticContact CD2-CE3 3.88Å; Y106-W113 HydrophobicContact CD2-CE3 3.88Å; Y106-W113 HydrophobicContact CD2-CG 4.39Å; Y106-W113 HydrophobicContact CE2-CB 4.08Å; Y106-W113 HydrophobicContact CG-CE3 4.19Å; Y106-P116 HydrophobicContact CD2-CB 4.09Å; Y106-P116 HydrophobicContact CD2-CG 4.14Å; Y106-P116 HydrophobicContact CE1-CG 4.25Å; Y106-P116 HydrophobicContact CE2-CB 4.18Å; Y106-P116 HydrophobicContact CE2-CG 3.73Å; Y106-P116 HydrophobicContact CG-CB 4.43Å; Y106-I168 HydrophobicContact CD1-CD1 4.43Å; Y106-I168 HydrophobicContact CE1-CD1 4.45Å; Y106-I185 HydrophobicContact CE1-CG2 4.02Å; Y106-I189 HydrophobicContact CE1-CG1 4.39Å |
| 107 | F | 89.5 | Confident | 87.7 | Confident | 12 Ų | 12 | 29.4 Ų | 29.4 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -27.5 | -179.3 | -72.1 | -2.3 | 0 | 0 | 0 | 113.6 | I103 C104 P110 I168 E171 F172 A175 L177 I185 | I103-F107 HydrophobicContact CG2-CD1 4.32Å; I103-F107 HydrophobicContact CG2-CD2 4.18Å; I103-F107 HydrophobicContact CG2-CE1 3.94Å; I103-F107 HydrophobicContact CG2-CE2 3.79Å; I103-F107 HydrophobicContact CG2-CG 4.44Å; I103-F107 HydrophobicContact CG2-CZ 3.65Å; I103-F107 PolarHBondContact O-N 3.37Å; C104-F107 PolarHBondContact O-N 2.92Å; F107-P110 WeakPolarHBondContact O-CD 3.26Å; F107-I168 HydrophobicContact CE1-CG1 4.17Å; F107-I168 HydrophobicContact CZ-CG1 4.19Å; F107-E171 HydrophobicContact CE2-CB 3.9Å; F107-E171 HydrophobicContact CZ-CB 4.44Å; F107-F172 HydrophobicContact CZ-CB 4.03Å; F107-F172 HydrophobicContact CZ-CD2 4.3Å; F107-A175 HydrophobicContact CD2-CB 4.21Å; F107-A175 HydrophobicContact CE2-CB 4.36Å; F107-L177 HydrophobicContact CB-CD2 4.17Å; F107-L177 HydrophobicContact CD2-CD1 3.89Å; F107-L177 HydrophobicContact CE2-CD1 4.19Å; F107-L177 HydrophobicContact CG-CD1 4.26Å; F107-I185 HydrophobicContact CB-CD1 4.05Å; F107-I185 HydrophobicContact CD1-CD1 3.58Å; F107-I185 HydrophobicContact CD1-CG1 4.1Å; F107-I185 HydrophobicContact CD1-CG2 4.09Å; F107-I185 HydrophobicContact CE1-CD1 4.17Å; F107-I185 HydrophobicContact CE1-CG2 3.73Å; F107-I185 HydrophobicContact CG-CD1 3.85Å |
| 108 | K | 87.5 | Confident | 87.5 | Confident | 46 Ų | 46 | 29.9 Ų | 29.9 | 20% | 0.2 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -80.4 | -25.4 | 172.3 | -76.7 | -164.8 | 164.1 | -162.4 | 0 | 114.2 | I56 N57 A59 L64 C104 L105 Y106 | I56-K108 WeakPolarHBondContact O-CE 3.25Å; I56-K108 PolarHBondContact O-NZ 3.38Å; N57-K108 WeakPolarHBondContact O-CE 3.41Å; N57-K108 PolarHBondContact O-NZ 2.78Å; A59-K108 PolarHBondContact O-NZ 2.94Å; L64-K108 HydrophobicContact CD1-CB 4.18Å; L64-K108 HydrophobicContact CD1-CD 3.41Å; L64-K108 VanDerWaalsContact CD1-CD 3.41Å; L64-K108 HydrophobicContact CD1-CG 4.46Å; C104-K108 PolarHBondContact O-N 2.86Å; L105-K108 PolarHBondContact O-N 3.2Å; Y106-K108 PolarHBondContact O-N 2.97Å |
| 109 | T | 87.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -124.3 | 42.3 | -176.9 | 62.3 | 0 | 0 | 0 | 0 | 113.5 | L64 E65 L68 L105 Y106 K111 L112 | L64-T109 HydrophobicContact CB-CG2 4.13Å; E65-T109 HydrophobicContact CG-CG2 3.92Å; L68-T109 HydrophobicContact CD1-CG2 4.14Å; L68-T109 WeakPolarHBondContact CD1-OG1 3.46Å; L105-T109 PolarHBondContact O-N 3.46Å; L105-T109 VanDerWaalsContact O-N 3.12Å; L105-T109 PolarHBondContact O-OG1 3.45Å; Y106-T109 CarbonylContact O-C 3.49Å; Y106-T109 VanDerWaalsContact O-C 3.25Å; Y106-T109 PolarHBondContact O-N 3.36Å; T109-K111 PolarHBondContact O-N 2.94Å; T109-K111 VanDerWaalsContact O-N 3.11Å; T109-L112 PolarHBondContact O-N 3.48Å |
| 110 | P | 83.9 | Confident | 87 | Confident | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -67.1 | -25 | -164.7 | 28.5 | -36.5 | 0 | 0 | 0 | 112.9 | Y106 F107 L112 I184 I185 | Y106-P110 HydrophobicContact CE2-CB 4.3Å; Y106-P110 WeakPolarHBondContact O-CA 3.47Å; Y106-P110 WeakPolarHBondContact O-CD 3.21Å; F107-P110 WeakPolarHBondContact O-CD 3.26Å; P110-L112 VanDerWaalsContact C-N 3.34Å; P110-I184 HydrophobicContact CB-CG2 4.01Å; P110-I184 HydrophobicContact CG-CG2 4.16Å; P110-I185 HydrophobicContact CB-CG1 3.83Å; P110-I185 HydrophobicContact CG-CG1 4.39Å |
| 111 | K | 83.5 | Confident | 86.7 | Confident | 166 Ų | 166 | 32.8 Ų | 32.8 | 72% | 0.722 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | -75.1 | -19.9 | 178.4 | -64.4 | -178.4 | -179.4 | 176.8 | 0 | 114 | T109 I184 | T109-K111 PolarHBondContact O-N 2.94Å; T109-K111 VanDerWaalsContact O-N 3.11Å; K111-I184 HydrophobicContact CG-CG2 4.28Å |
| 112 | L | 84.6 | Confident | 86.3 | Confident | 85 Ų | 85 | 34.3 Ų | 34.3 | 45% | 0.445 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -103.2 | 0.5 | -173.8 | -60.4 | 179.3 | 0 | 0 | 0 | 112.9 | E65 L68 T109 P110 | E65-L112 HydrophobicContact CB-CD1 3.54Å; E65-L112 HydrophobicContact CG-CD1 3.45Å; E65-L112 VanDerWaalsContact CG-CD1 3.45Å; L68-L112 HydrophobicContact CD2-CB 3.49Å; L68-L112 VanDerWaalsContact CD2-CB 3.49Å; L68-L112 HydrophobicContact CD2-CD1 3.96Å; L68-L112 HydrophobicContact CD2-CG 4.41Å; T109-L112 PolarHBondContact O-N 3.48Å; P110-L112 VanDerWaalsContact C-N 3.34Å |
| 113 | W | 82.3 | Confident | 85.9 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 6% | 0.057 | 18% | 0.175 | C | C | . | . | trans | -118.6 | 93.5 | 175.9 | -145.2 | -24.8 | 0 | 0 | 0 | 111 | R72 L102 Y106 P116 W119 I120 | R72-W113 HydrophobicContact CG-CH2 3.82Å; R72-W113 HydrophobicContact CG-CZ2 4.2Å; R72-W113 HydrophobicContact CG-CZ3 4Å; R72-W113 VanDerWaalsContact NH1-CG 3.29Å; R72-W113 VanDerWaalsContact NH2-CE3 3.26Å; L102-W113 HydrophobicContact CD1-CH2 3.85Å; L102-W113 HydrophobicContact CD1-CZ3 4.38Å; L102-W113 HydrophobicContact CG-CH2 4.03Å; L102-W113 HydrophobicContact CG-CZ3 4.5Å; Y106-W113 HydrophobicContact CD2-CB 3.85Å; Y106-W113 HydrophobicContact CD2-CD2 4.33Å; Y106-W113 AromaticContact CD2-CE3 3.88Å; Y106-W113 HydrophobicContact CD2-CE3 3.88Å; Y106-W113 HydrophobicContact CD2-CG 4.39Å; Y106-W113 HydrophobicContact CE2-CB 4.08Å; Y106-W113 HydrophobicContact CG-CE3 4.19Å; W113-P116 HydrophobicContact CB-CB 4.38Å; W113-P116 HydrophobicContact CD2-CB 3.65Å; W113-P116 HydrophobicContact CE3-CB 4.17Å; W113-P116 HydrophobicContact CG-CB 3.76Å; W113-P116 HydrophobicContact CZ2-CB 4.33Å; W113-W119 HydrophobicContact CH2-CE3 4.46Å; W113-W119 HydrophobicContact CH2-CZ3 4.42Å; W113-W119 HydrophobicContact CZ2-CD2 4.34Å; W113-W119 AromaticContact CZ2-CE3 3.58Å; W113-W119 HydrophobicContact CZ2-CE3 3.58Å; W113-W119 AromaticContact CZ2-CZ3 3.9Å; W113-W119 HydrophobicContact CZ2-CZ3 3.9Å; W113-I120 HydrophobicContact CH2-CD1 4.21Å; W113-I120 HydrophobicContact CH2-CG1 4.42Å; W113-I120 HydrophobicContact CZ2-CD1 4.37Å; W113-I120 HydrophobicContact CZ2-CG1 4.23Å | ||
| 114 | S | 76.7 | Confident | 85.5 | Confident | 99 Ų | 99 | 35.5 Ų | 35.5 | 69% | 0.692 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -77.5 | 132.1 | 165.1 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 115 | H | 82.3 | Confident | 84.9 | Confident | 79 Ų | 79 | 35.1 Ų | 35.1 | 37% | 0.366 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 55.5 | 56 | 178.9 | -58.3 | -73.2 | 0 | 0 | 0 | 115.2 | L117 R118 W119 S191 D192 | H115-L117 PolarHBondContact O-N 3.14Å; H115-R118 HydrophobicContact CB-CB 3.96Å; H115-W119 PolarHBondContact O-N 3.38Å; H115-S191 PolarHBondContact CE1-O 3.08Å; H115-S191 PolarHBondContact ND1-OG 3.04Å; H115-D192 WeakPolarHBondContact CA-OD1 3.22Å; H115-D192 VanDerWaalsContact CA-OD2 3.31Å; H115-D192 WeakPolarHBondContact CA-OD2 3.48Å; H115-D192 WeakPolarHBondContact CB-OD1 3.24Å; H115-D192 IonicContact CE1-OD1 3.68Å; H115-D192 IonicContact CG-OD1 2.73Å; H115-D192 IonicContact ND1-OD1 3.63Å; H115-D192 PolarHBondContact ND1-OD1 2.84Å |
| 116 | P | 85.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | -177.2 | 27.3 | -35.6 | 0 | 0 | 0 | 113.1 | Y106 W113 W119 I120 D192 | Y106-P116 HydrophobicContact CD2-CB 4.09Å; Y106-P116 HydrophobicContact CD2-CG 4.14Å; Y106-P116 HydrophobicContact CE1-CG 4.25Å; Y106-P116 HydrophobicContact CE2-CB 4.18Å; Y106-P116 HydrophobicContact CE2-CG 3.73Å; Y106-P116 HydrophobicContact CG-CB 4.43Å; W113-P116 HydrophobicContact CB-CB 4.38Å; W113-P116 HydrophobicContact CD2-CB 3.65Å; W113-P116 HydrophobicContact CE3-CB 4.17Å; W113-P116 HydrophobicContact CG-CB 3.76Å; W113-P116 HydrophobicContact CZ2-CB 4.33Å; P116-W119 PolarHBondContact O-N 3.11Å; P116-I120 VanDerWaalsContact O-CG1 3.27Å; P116-I120 WeakPolarHBondContact O-CG1 3.29Å; P116-I120 PolarHBondContact O-N 3.06Å; P116-D192 WeakPolarHBondContact CD-OD2 3.23Å |
| 117 | L | 87.4 | Confident | 83.3 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.7 | -42 | -176.1 | -65.3 | 174.3 | 0 | 0 | 0 | 110.3 | H115 W119 I120 I121 L164 L165 I168 D192 V196 W223 | H115-L117 PolarHBondContact O-N 3.14Å; L117-W119 VanDerWaalsContact C-N 3.31Å; L117-W119 PolarHBondContact O-N 3.27Å; L117-I120 PolarHBondContact O-N 3.19Å; L117-I121 HydrophobicContact CB-CD1 4.38Å; L117-I121 WeakPolarHBondContact O-CB 3.43Å; L117-I121 WeakPolarHBondContact O-CD1 3.2Å; L117-I121 WeakPolarHBondContact O-CG1 3.35Å; L117-I121 PolarHBondContact O-N 3.19Å; L117-L164 HydrophobicContact CD2-CD2 4.4Å; L117-L165 HydrophobicContact CD1-CD2 4.15Å; L117-L165 HydrophobicContact CD2-CD2 4.36Å; L117-I168 HydrophobicContact CD2-CD1 4.03Å; L117-D192 HydrophobicContact CB-CB 4.08Å; L117-D192 WeakPolarHBondContact CB-OD2 3.45Å; L117-D192 HydrophobicContact CD1-CB 4.28Å; L117-D192 PolarHBondContact N-OD2 3.28Å; L117-V196 HydrophobicContact CD1-CG2 3.83Å; L117-W223 HydrophobicContact CD1-CH2 3.73Å; L117-W223 HydrophobicContact CD1-CZ3 4.18Å |
| 118 | R | 86.6 | Confident | 82.4 | Confident | 57 Ų | 57 | 39 Ų | 39 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.3 | -50.6 | 175.2 | -171.1 | -167.4 | -172.8 | 91.9 | 9.2 | 111.2 | H115 I120 I121 E122 I139 D141 D192 L195 | H115-R118 HydrophobicContact CB-CB 3.96Å; R118-I120 PolarHBondContact O-N 3.42Å; R118-I121 PolarHBondContact O-N 3.46Å; R118-E122 WeakPolarHBondContact CD-OE1 3.25Å; R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 WeakPolarHBondContact CG-OE1 3.25Å; R118-E122 IonicContact CZ-OE1 3.57Å; R118-E122 IonicContact NE-OE1 2.72Å; R118-E122 PolarHBondContact NE-OE1 2.99Å; R118-E122 IonicContact NH2-OE1 2.63Å; R118-E122 WeakPolarHBondContact O-CG 3.49Å; R118-E122 PolarHBondContact O-N 3.33Å; R118-I139 PolarHBondContact NH2-O 3.36Å; R118-D141 IonicContact CZ-OD1 2.74Å; R118-D141 IonicContact NH1-OD1 3.63Å; R118-D141 PolarHBondContact NH1-OD1 2.96Å; R118-D141 IonicContact NH2-OD1 2.83Å; R118-D141 PolarHBondContact NH2-OD1 3.17Å; R118-D192 PolarHBondContact N-OD2 3.06Å; R118-L195 HydrophobicContact CB-CD2 3.95Å; R118-L195 HydrophobicContact CG-CD2 4.04Å |
| 119 | W | 85.9 | Confident | 81.1 | Confident | 77 Ų | 77 | 41.8 Ų | 41.8 | 29% | 0.292 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -45 | -178.5 | -179.6 | 83.1 | 0 | 0 | 0 | 112.2 | R72 M76 W113 H115 P116 L117 I121 E122 V123 | R72-W119 HydrophobicContact CB-CH2 4.04Å; R72-W119 HydrophobicContact CB-CZ3 4.39Å; M76-W119 HydrophobicContact CB-CH2 4.23Å; M76-W119 HydrophobicContact CG-CH2 3.51Å; M76-W119 HydrophobicContact CG-CZ3 3.43Å; M76-W119 VanDerWaalsContact CG-CZ3 3.43Å; M76-W119 HydrophobicContact SD-CZ3 4.36Å; W113-W119 HydrophobicContact CH2-CE3 4.46Å; W113-W119 HydrophobicContact CH2-CZ3 4.42Å; W113-W119 HydrophobicContact CZ2-CD2 4.34Å; W113-W119 AromaticContact CZ2-CE3 3.58Å; W113-W119 HydrophobicContact CZ2-CE3 3.58Å; W113-W119 AromaticContact CZ2-CZ3 3.9Å; W113-W119 HydrophobicContact CZ2-CZ3 3.9Å; H115-W119 PolarHBondContact O-N 3.38Å; P116-W119 PolarHBondContact O-N 3.11Å; L117-W119 VanDerWaalsContact C-N 3.31Å; L117-W119 PolarHBondContact O-N 3.27Å; W119-I121 VanDerWaalsContact C-N 3.33Å; W119-I121 PolarHBondContact O-N 2.5Å; W119-E122 PolarHBondContact O-N 3.1Å; W119-V123 HydrophobicContact CD2-CG2 4.27Å; W119-V123 HydrophobicContact CH2-CG2 4.5Å; W119-V123 HydrophobicContact CZ2-CG2 4.12Å; W119-V123 VanDerWaalsContact O-CG2 3.3Å; W119-V123 WeakPolarHBondContact O-CG2 3.43Å; W119-V123 PolarHBondContact O-N 3.18Å; W119-V123 VanDerWaalsContact O-N 3.12Å |
| 120 | I | 86.7 | Confident | 79.8 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 179.6 | -61 | 165.2 | 0 | 0 | 0 | 110.4 | M76 L102 W113 P116 L117 R118 V123 L124 L164 | M76-I120 HydrophobicContact CE-CG2 4.04Å; M76-I120 HydrophobicContact SD-CG2 4.04Å; L102-I120 HydrophobicContact CD2-CD1 3.52Å; L102-I120 HydrophobicContact CD2-CG1 3.89Å; L102-I120 HydrophobicContact CD2-CG2 4.46Å; L102-I120 HydrophobicContact CG-CD1 4.25Å; W113-I120 HydrophobicContact CH2-CD1 4.21Å; W113-I120 HydrophobicContact CH2-CG1 4.42Å; W113-I120 HydrophobicContact CZ2-CD1 4.37Å; W113-I120 HydrophobicContact CZ2-CG1 4.23Å; P116-I120 VanDerWaalsContact O-CG1 3.27Å; P116-I120 WeakPolarHBondContact O-CG1 3.29Å; P116-I120 PolarHBondContact O-N 3.06Å; L117-I120 PolarHBondContact O-N 3.19Å; R118-I120 PolarHBondContact O-N 3.42Å; I120-V123 PolarHBondContact O-N 3.21Å; I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 WeakPolarHBondContact O-CG 3.29Å; I120-L124 PolarHBondContact O-N 3.37Å; I120-L164 HydrophobicContact CB-CD2 4.06Å; I120-L164 HydrophobicContact CD1-CD1 4.5Å; I120-L164 HydrophobicContact CD1-CD2 4.17Å; I120-L164 HydrophobicContact CG2-CD2 3.48Å; I120-L164 VanDerWaalsContact CG2-CD2 3.48Å |
| 121 | I | 85.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | -179.9 | -68.7 | 161.2 | 0 | 0 | 0 | 111.1 | L117 R118 W119 V123 L124 I125 I144 I161 L195 I199 | L117-I121 HydrophobicContact CB-CD1 4.38Å; L117-I121 WeakPolarHBondContact O-CB 3.43Å; L117-I121 WeakPolarHBondContact O-CD1 3.2Å; L117-I121 WeakPolarHBondContact O-CG1 3.35Å; L117-I121 PolarHBondContact O-N 3.19Å; R118-I121 PolarHBondContact O-N 3.46Å; W119-I121 VanDerWaalsContact C-N 3.33Å; W119-I121 PolarHBondContact O-N 2.5Å; I121-V123 VanDerWaalsContact C-N 3.33Å; I121-V123 PolarHBondContact O-N 2.85Å; I121-L124 PolarHBondContact O-N 3.18Å; I121-I125 HydrophobicContact CG2-CD1 3.76Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.34Å; I121-I125 PolarHBondContact O-N 2.98Å; I121-I144 HydrophobicContact CG2-CG2 4.46Å; I121-I161 HydrophobicContact CG1-CG2 4.4Å; I121-I161 HydrophobicContact CG2-CD1 4.46Å; I121-L195 HydrophobicContact CD1-CD2 4.05Å; I121-I199 HydrophobicContact CD1-CD1 3.6Å; I121-I199 HydrophobicContact CG1-CD1 4.49Å; I121-I199 HydrophobicContact CG2-CD1 4.26Å |
| 122 | E | 83.1 | Confident | 77.3 | Confident | 33 Ų | 33 | 41 Ų | 41 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -45.7 | 175.8 | -75 | 173.7 | 177 | 0 | 0 | 111.3 | R118 W119 L124 I125 H126 I139 I144 | R118-E122 WeakPolarHBondContact CD-OE1 3.25Å; R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 WeakPolarHBondContact CG-OE1 3.25Å; R118-E122 IonicContact CZ-OE1 3.57Å; R118-E122 IonicContact NE-OE1 2.72Å; R118-E122 PolarHBondContact NE-OE1 2.99Å; R118-E122 IonicContact NH2-OE1 2.63Å; R118-E122 WeakPolarHBondContact O-CG 3.49Å; R118-E122 PolarHBondContact O-N 3.33Å; W119-E122 PolarHBondContact O-N 3.1Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.2Å; E122-I125 PolarHBondContact O-N 2.93Å; E122-H126 PolarHBondContact O-CD2 2.97Å; E122-H126 PolarHBondContact O-N 2.84Å; E122-I139 HydrophobicContact CB-CD1 4.49Å; E122-I139 HydrophobicContact CG-CD1 4.33Å; E122-I144 HydrophobicContact CG-CD1 4.05Å |
| 123 | V | 82.3 | Confident | 75.8 | Confident | 29 Ų | 29 | 42 Ų | 42 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | M76 L80 W119 I120 I121 H126 A127 | M76-V123 HydrophobicContact CB-CG1 4.48Å; M76-V123 HydrophobicContact CE-CB 3.96Å; M76-V123 HydrophobicContact CE-CG1 3.49Å; M76-V123 VanDerWaalsContact CE-CG1 3.49Å; L80-V123 HydrophobicContact CD1-CG1 3.99Å; W119-V123 HydrophobicContact CD2-CG2 4.27Å; W119-V123 HydrophobicContact CH2-CG2 4.5Å; W119-V123 HydrophobicContact CZ2-CG2 4.12Å; W119-V123 VanDerWaalsContact O-CG2 3.3Å; W119-V123 WeakPolarHBondContact O-CG2 3.43Å; W119-V123 PolarHBondContact O-N 3.18Å; W119-V123 VanDerWaalsContact O-N 3.12Å; I120-V123 PolarHBondContact O-N 3.21Å; I121-V123 VanDerWaalsContact C-N 3.33Å; I121-V123 PolarHBondContact O-N 2.85Å; V123-H126 PolarHBondContact O-N 3.33Å; V123-A127 PolarHBondContact O-N 3.26Å |
| 124 | L | 83.1 | Confident | 74.4 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 177 | -72.9 | 173.1 | 0 | 0 | 0 | 112.4 | M76 L80 I120 I121 E122 A127 I157 I161 | M76-L124 HydrophobicContact CE-CD2 4.24Å; M76-L124 HydrophobicContact CE-CG 4.23Å; L80-L124 HydrophobicContact CD2-CD2 4.11Å; I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 WeakPolarHBondContact O-CG 3.29Å; I120-L124 PolarHBondContact O-N 3.37Å; I121-L124 PolarHBondContact O-N 3.18Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.2Å; L124-A127 PolarHBondContact O-N 3.4Å; L124-I157 HydrophobicContact CB-CG2 4.07Å; L124-I161 HydrophobicContact CD1-CG1 3.94Å |
| 125 | I | 78.6 | Confident | 72.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 176.7 | -70.3 | 166.9 | 0 | 0 | 0 | 110.8 | I121 E122 A127 D128 I139 I144 C147 L148 F153 | I121-I125 HydrophobicContact CG2-CD1 3.76Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.34Å; I121-I125 PolarHBondContact O-N 2.98Å; E122-I125 PolarHBondContact O-N 2.93Å; I125-A127 PolarHBondContact O-N 2.89Å; I125-D128 WeakPolarHBondContact O-CB 3.48Å; I125-D128 PolarHBondContact O-N 3.2Å; I125-D128 VanDerWaalsContact O-N 3.1Å; I125-I139 HydrophobicContact CG2-CD1 4.41Å; I125-I144 HydrophobicContact CD1-CB 4.4Å; I125-I144 HydrophobicContact CD1-CG1 4.37Å; I125-I144 HydrophobicContact CD1-CG2 3.75Å; I125-C147 HydrophobicContact CG2-CB 3.87Å; I125-L148 HydrophobicContact CD1-CD2 4.19Å; I125-L148 HydrophobicContact CD1-CG 4.33Å; I125-L148 HydrophobicContact CG1-CD2 4.24Å; I125-F153 HydrophobicContact CB-CE2 4.45Å; I125-F153 HydrophobicContact CB-CZ 4.48Å; I125-F153 HydrophobicContact CG1-CE2 4.25Å; I125-F153 HydrophobicContact CG1-CZ 3.91Å; I125-F153 HydrophobicContact CG2-CE2 4.28Å |
| 126 | H | 75.3 | Confident | 71.3 | Confident | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -24.7 | 178.8 | -74.6 | -58.8 | 0 | 0 | 0 | 113.9 | E122 V123 D128 A132 I139 | E122-H126 PolarHBondContact O-CD2 2.97Å; E122-H126 PolarHBondContact O-N 2.84Å; V123-H126 PolarHBondContact O-N 3.33Å; H126-D128 PolarHBondContact O-N 2.91Å; H126-A132 WeakPolarHBondContact O-CA 3.42Å; H126-I139 VanDerWaalsContact CE1-CD1 3.47Å; H126-I139 WeakPolarHBondContact CE1-CD1 3.33Å; H126-I139 WeakPolarHBondContact NE2-CD1 3.2Å |
| 127 | A | 72.6 | Confident | 69.7 | Low | 47 Ų | 47 | 52 Ų | 52 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L80 V123 L124 I125 S129 | L80-A127 HydrophobicContact CD1-CB 4.17Å; L80-A127 HydrophobicContact CD2-CB 3.33Å; L80-A127 HydrophobicContact CG-CB 4.32Å; V123-A127 PolarHBondContact O-N 3.26Å; L124-A127 PolarHBondContact O-N 3.4Å; I125-A127 PolarHBondContact O-N 2.89Å; A127-S129 PolarHBondContact O-N 3.42Å |
| 128 | D | 69.8 | Low | 68.5 | Low | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -67.7 | 130.3 | 171.2 | -156.9 | -29.3 | 0 | 0 | 0 | 110 | I125 H126 L130 Y131 A132 F153 S154 I157 | I125-D128 WeakPolarHBondContact O-CB 3.48Å; I125-D128 PolarHBondContact O-N 3.2Å; I125-D128 VanDerWaalsContact O-N 3.1Å; H126-D128 PolarHBondContact O-N 2.91Å; D128-L130 PolarHBondContact O-N 3.5Å; D128-L130 PolarHBondContact OD1-N 2.99Å; D128-Y131 HydrophobicContact CB-CD2 4.32Å; D128-Y131 PolarHBondContact O-N 2.93Å; D128-A132 PolarHBondContact O-N 3.27Å; D128-F153 HydrophobicContact CB-CD2 4.3Å; D128-F153 HydrophobicContact CB-CE2 3.94Å; D128-F153 WeakPolarHBondContact OD2-CD2 3.38Å; D128-S154 WeakPolarHBondContact OD2-CB 3.31Å; D128-S154 PolarHBondContact OD2-N 3.2Å; D128-I157 HydrophobicContact CB-CD1 3.46Å; D128-I157 VanDerWaalsContact CB-CD1 3.46Å |
| 129 | S | 59.8 | Low | 67.6 | Low | 104 Ų | 104 | 54 Ų | 54 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -29.1 | 178.5 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | A127 | A127-S129 PolarHBondContact O-N 3.42Š|
| 130 | L | 59.7 | Low | 66.8 | Low | 79 Ų | 79 | 52.7 Ų | 52.7 | 41% | 0.414 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -28.4 | 178 | -83.5 | 152.6 | 0 | 0 | 0 | 113.9 | D128 A152 | D128-L130 PolarHBondContact O-N 3.5Å; D128-L130 PolarHBondContact OD1-N 2.99Å; L130-A152 HydrophobicContact CD1-CB 3.64Å; L130-A152 WeakPolarHBondContact CD1-O 3.44Å |
| 131 | Y | 58.9 | Low | 66 | Low | 29 Ų | 29 | 55.5 Ų | 55.5 | 11% | 0.114 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -3.4 | -170.8 | -64.7 | -76.6 | 0 | 0 | 0 | 113.4 | D128 S133 T134 C147 N150 F153 | D128-Y131 HydrophobicContact CB-CD2 4.32Å; D128-Y131 PolarHBondContact O-N 2.93Å; Y131-S133 PolarHBondContact O-N 3.06Å; Y131-S133 VanDerWaalsContact O-N 3.09Å; Y131-T134 PolarHBondContact O-N 3.2Å; Y131-T134 PolarHBondContact O-OG1 2.81Å; Y131-T134 VanDerWaalsContact O-OG1 3.1Å; Y131-C147 HydrophobicContact CE1-CB 4.29Å; Y131-C147 WeakPolarHBondContact CE1-SG 3.35Å; Y131-C147 HydrophobicContact CE2-CB 4.17Å; Y131-N150 PolarHBondContact OH-ND2 3.28Å; Y131-F153 HydrophobicContact CD2-CD2 4.19Å; Y131-F153 HydrophobicContact CD2-CE2 4.34Å; Y131-F153 AromaticContact CE2-CD2 3.91Å; Y131-F153 HydrophobicContact CE2-CD2 3.91Å; Y131-F153 HydrophobicContact CE2-CE2 4.45Å |
| 132 | A | 57.9 | Low | 65.3 | Low | 60 Ų | 60 | 63 Ų | 63 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H126 D128 | H126-A132 WeakPolarHBondContact O-CA 3.42Å; D128-A132 PolarHBondContact O-N 3.27Å |
| 133 | S | 52.1 | Low | 64.7 | Low | 106 Ų | 106 | 65.7 Ų | 65.7 | 74% | 0.741 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7 | -178.5 | 55.8 | 0 | 0 | 0 | 0 | 115.5 | Y131 | Y131-S133 PolarHBondContact O-N 3.06Å; Y131-S133 VanDerWaalsContact O-N 3.09Å |
| 134 | T | 52.2 | Low | 64.3 | Low | 85 Ų | 85 | 64.3 Ų | 64.3 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | trans | -106.2 | 74.6 | -179.3 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | Y131 N136 | Y131-T134 PolarHBondContact O-N 3.2Å; Y131-T134 PolarHBondContact O-OG1 2.81Å; Y131-T134 VanDerWaalsContact O-OG1 3.1Å; T134-N136 PolarHBondContact O-N 3.35Å | ||
| 135 | F | 44.5 | Very low | 63.7 | Low | 106 Ų | 106 | 67 Ų | 67 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | trans | -81.3 | 95 | 177.5 | -126.4 | -90.3 | 0 | 0 | 0 | 110 | L3 | L3-F135 HydrophobicContact CB-CE1 4.12Å; L3-F135 HydrophobicContact CB-CZ 3.66Å; L3-F135 WeakPolarHBondContact O-CZ 3.37Å | ||
| 136 | N | 50.4 | Low | 63.5 | Low | 108 Ų | 108 | 73.1 Ų | 73.1 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | trans | -119.4 | 126.1 | 162.2 | -109.1 | -9.3 | 0 | 0 | 0 | 107.8 | T134 S138 | T134-N136 PolarHBondContact O-N 3.35Å; N136-S138 PolarHBondContact O-N 2.79Å | ||
| 137 | P | 51.5 | Low | 63.4 | Low | 108 Ų | 108 | 71.5 Ų | 71.5 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -73.4 | 18 | -167.3 | 28.3 | -35.2 | 0 | 0 | 0 | 115.7 | ||
| 138 | S | 61.4 | Low | 63.4 | Low | 88 Ų | 88 | 69.4 Ų | 69.4 | 62% | 0.615 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -162.7 | 105.7 | 171.7 | 56.1 | 0 | 0 | 0 | 0 | 108 | N136 | N136-S138 PolarHBondContact O-N 2.79Š|
| 139 | I | 67.3 | Low | 63.3 | Low | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.077 | 42% | 0.417 | C | S | . | . | trans | -78.5 | 128.5 | 173 | -55.5 | 169.3 | 0 | 0 | 0 | 107.3 | R118 E122 I125 H126 E143 I144 | R118-I139 PolarHBondContact NH2-O 3.36Å; E122-I139 HydrophobicContact CB-CD1 4.49Å; E122-I139 HydrophobicContact CG-CD1 4.33Å; I125-I139 HydrophobicContact CG2-CD1 4.41Å; H126-I139 VanDerWaalsContact CE1-CD1 3.47Å; H126-I139 WeakPolarHBondContact CE1-CD1 3.33Å; H126-I139 WeakPolarHBondContact NE2-CD1 3.2Å; I139-E143 HydrophobicContact CG2-CB 3.27Å; I139-E143 HydrophobicContact CG2-CG 4.42Å; I139-I144 HydrophobicContact CB-CG1 3.96Å; I139-I144 HydrophobicContact CG2-CB 4.48Å; I139-I144 HydrophobicContact CG2-CG1 3.57Å | ||
| 140 | S | 70.7 | Confident | 63.9 | Low | 49 Ų | 49 | 70.2 Ų | 70.2 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | trans | -66.9 | 156.6 | 172.8 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | E142 E143 I144 | S140-E142 PolarHBondContact O-N 2.91Å; S140-E143 PolarHBondContact N-OE2 3.49Å; S140-E143 PolarHBondContact O-N 3.21Å; S140-E143 WeakPolarHBondContact OG-CB 3.4Å; S140-E143 VanDerWaalsContact OG-CD 3.24Å; S140-E143 WeakPolarHBondContact OG-CG 3.35Å; S140-E143 PolarHBondContact OG-N 3.42Å; S140-E143 PolarHBondContact OG-OE2 3.44Å; S140-I144 PolarHBondContact O-N 2.84Å | ||
| 141 | D | 69.2 | Low | 64.1 | Low | 66 Ų | 66 | 70.4 Ų | 70.4 | 35% | 0.353 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.2 | -34.9 | 177.6 | -69.8 | -1.3 | 0 | 0 | 0 | 112.1 | R118 I144 Q145 | R118-D141 IonicContact CZ-OD1 2.74Å; R118-D141 IonicContact NH1-OD1 3.63Å; R118-D141 PolarHBondContact NH1-OD1 2.96Å; R118-D141 IonicContact NH2-OD1 2.83Å; R118-D141 PolarHBondContact NH2-OD1 3.17Å; D141-I144 PolarHBondContact O-N 2.99Å; D141-Q145 WeakPolarHBondContact O-CB 3.49Å; D141-Q145 VanDerWaalsContact O-CG 3.25Å; D141-Q145 WeakPolarHBondContact O-CG 3.49Å; D141-Q145 PolarHBondContact O-N 3.34Å |
| 142 | E | 70 | Confident | 64.5 | Low | 157 Ų | 157 | 71.7 Ų | 71.7 | 73% | 0.734 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 176.1 | -64.5 | -179.8 | 179 | 0 | 0 | 111.9 | S140 Q145 H146 | S140-E142 PolarHBondContact O-N 2.91Å; E142-Q145 PolarHBondContact O-N 3.49Å; E142-H146 WeakPolarHBondContact O-CB 3.41Å; E142-H146 PolarHBondContact O-N 2.93Å |
| 143 | E | 71.5 | Confident | 65.2 | Low | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 176.4 | -74.9 | 165.4 | 151.4 | 0 | 0 | 111.7 | I139 S140 Q145 H146 C147 | I139-E143 HydrophobicContact CG2-CB 3.27Å; I139-E143 HydrophobicContact CG2-CG 4.42Å; S140-E143 PolarHBondContact N-OE2 3.49Å; S140-E143 PolarHBondContact O-N 3.21Å; S140-E143 WeakPolarHBondContact OG-CB 3.4Å; S140-E143 VanDerWaalsContact OG-CD 3.24Å; S140-E143 WeakPolarHBondContact OG-CG 3.35Å; S140-E143 PolarHBondContact OG-N 3.42Å; S140-E143 PolarHBondContact OG-OE2 3.44Å; E143-Q145 VanDerWaalsContact C-N 3.32Å; E143-Q145 PolarHBondContact O-N 2.88Å; E143-H146 PolarHBondContact O-N 3.47Å; E143-C147 PolarHBondContact O-N 3.26Å; E143-C147 PolarHBondContact O-SG 2.9Å |
| 144 | I | 73.5 | Confident | 66.5 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 172.7 | -67.2 | 175 | 0 | 0 | 0 | 109.3 | I121 E122 I125 I139 S140 D141 H146 C147 L148 L195 | I121-I144 HydrophobicContact CG2-CG2 4.46Å; E122-I144 HydrophobicContact CG-CD1 4.05Å; I125-I144 HydrophobicContact CD1-CB 4.4Å; I125-I144 HydrophobicContact CD1-CG1 4.37Å; I125-I144 HydrophobicContact CD1-CG2 3.75Å; I139-I144 HydrophobicContact CB-CG1 3.96Å; I139-I144 HydrophobicContact CG2-CB 4.48Å; I139-I144 HydrophobicContact CG2-CG1 3.57Å; S140-I144 PolarHBondContact O-N 2.84Å; D141-I144 PolarHBondContact O-N 2.99Å; I144-H146 VanDerWaalsContact C-N 3.32Å; I144-H146 PolarHBondContact O-N 3.28Å; I144-C147 PolarHBondContact O-N 3.37Å; I144-L148 HydrophobicContact CG2-CD1 3.78Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.46Å; I144-L148 PolarHBondContact O-N 3.46Å; I144-L195 HydrophobicContact CD1-CD1 4.29Å; I144-L195 HydrophobicContact CG2-CD1 3.95Å |
| 145 | Q | 71.3 | Confident | 67.9 | Low | 58 Ų | 58 | 64.6 Ų | 64.6 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 176.9 | -76 | -178.4 | 15.6 | 0 | 0 | 112.5 | D141 E142 E143 L148 T149 N198 Q202 | D141-Q145 WeakPolarHBondContact O-CB 3.49Å; D141-Q145 VanDerWaalsContact O-CG 3.25Å; D141-Q145 WeakPolarHBondContact O-CG 3.49Å; D141-Q145 PolarHBondContact O-N 3.34Å; E142-Q145 PolarHBondContact O-N 3.49Å; E143-Q145 VanDerWaalsContact C-N 3.32Å; E143-Q145 PolarHBondContact O-N 2.88Å; Q145-L148 PolarHBondContact O-N 3.09Å; Q145-T149 WeakPolarHBondContact O-CB 3.47Å; Q145-T149 VanDerWaalsContact O-CG2 3.29Å; Q145-T149 WeakPolarHBondContact O-CG2 3.45Å; Q145-T149 PolarHBondContact O-N 3.49Å; Q145-T149 PolarHBondContact O-OG1 3.45Å; Q145-N198 PolarHBondContact NE2-ND2 3.36Å; Q145-Q202 VanDerWaalsContact CB-NE2 3.33Å |
| 146 | H | 73.6 | Confident | 69.7 | Low | 128 Ų | 128 | 60.7 Ų | 60.7 | 59% | 0.593 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 177.4 | -177.3 | -81.4 | 0 | 0 | 0 | 111.7 | E142 E143 I144 T149 N150 | E142-H146 WeakPolarHBondContact O-CB 3.41Å; E142-H146 PolarHBondContact O-N 2.93Å; E143-H146 PolarHBondContact O-N 3.47Å; I144-H146 VanDerWaalsContact C-N 3.32Å; I144-H146 PolarHBondContact O-N 3.28Å; H146-T149 WeakPolarHBondContact CA-OG1 3.27Å; H146-T149 PolarHBondContact O-OG1 2.82Å; H146-T149 VanDerWaalsContact O-OG1 3.05Å; H146-N150 PolarHBondContact O-N 3.19Å |
| 147 | C | 72.5 | Confident | 71.3 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.1 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | I125 Y131 E143 I144 T149 N150 | I125-C147 HydrophobicContact CG2-CB 3.87Å; Y131-C147 HydrophobicContact CE1-CB 4.29Å; Y131-C147 WeakPolarHBondContact CE1-SG 3.35Å; Y131-C147 HydrophobicContact CE2-CB 4.17Å; E143-C147 PolarHBondContact O-N 3.26Å; E143-C147 PolarHBondContact O-SG 2.9Å; I144-C147 PolarHBondContact O-N 3.37Å; C147-T149 VanDerWaalsContact C-N 3.35Å; C147-T149 PolarHBondContact O-N 3.21Å; C147-N150 WeakPolarHBondContact O-CB 2.99Å; C147-N150 PolarHBondContact O-N 2.64Å |
| 148 | L | 72.8 | Confident | 72.9 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72 | -27.1 | -176.6 | -65.1 | 177.6 | 0 | 0 | 0 | 113.6 | I125 I144 Q145 F153 I161 I199 F203 | I125-L148 HydrophobicContact CD1-CD2 4.19Å; I125-L148 HydrophobicContact CD1-CG 4.33Å; I125-L148 HydrophobicContact CG1-CD2 4.24Å; I144-L148 HydrophobicContact CG2-CD1 3.78Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.46Å; I144-L148 PolarHBondContact O-N 3.46Å; Q145-L148 PolarHBondContact O-N 3.09Å; L148-F153 HydrophobicContact CD2-CD1 4.28Å; L148-F153 HydrophobicContact CD2-CE1 3.68Å; L148-F153 HydrophobicContact CD2-CZ 3.95Å; L148-I161 HydrophobicContact CD2-CD1 3.93Å; L148-I199 HydrophobicContact CD1-CD1 4.01Å; L148-I199 HydrophobicContact CD1-CG1 3.59Å; L148-I199 HydrophobicContact CD1-CG2 4.46Å; L148-F203 HydrophobicContact CB-CE1 4.15Å; L148-F203 HydrophobicContact CD2-CE1 4.26Å; L148-F203 HydrophobicContact CD2-CZ 3.98Å |
| 149 | T | 69.2 | Low | 74.1 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -80.7 | -14 | 175.5 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | Q145 H146 C147 S151 Q202 | Q145-T149 WeakPolarHBondContact O-CB 3.47Å; Q145-T149 VanDerWaalsContact O-CG2 3.29Å; Q145-T149 WeakPolarHBondContact O-CG2 3.45Å; Q145-T149 PolarHBondContact O-N 3.49Å; Q145-T149 PolarHBondContact O-OG1 3.45Å; H146-T149 WeakPolarHBondContact CA-OG1 3.27Å; H146-T149 PolarHBondContact O-OG1 2.82Å; H146-T149 VanDerWaalsContact O-OG1 3.05Å; C147-T149 VanDerWaalsContact C-N 3.35Å; C147-T149 PolarHBondContact O-N 3.21Å; T149-S151 PolarHBondContact O-N 2.94Å; T149-Q202 HydrophobicContact CG2-CG 4.1Å |
| 150 | N | 71.3 | Confident | 75.1 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | trans | -65.3 | 124 | 178 | -171.7 | -11.7 | 0 | 0 | 0 | 110.5 | Y131 H146 C147 A152 F153 | Y131-N150 PolarHBondContact OH-ND2 3.28Å; H146-N150 PolarHBondContact O-N 3.19Å; C147-N150 WeakPolarHBondContact O-CB 2.99Å; C147-N150 PolarHBondContact O-N 2.64Å; N150-A152 PolarHBondContact O-N 2.74Å; N150-A152 WeakPolarHBondContact OD1-CB 3.33Å; N150-A152 PolarHBondContact OD1-N 2.96Å; N150-F153 HydrophobicContact CB-CB 4.41Å; N150-F153 WeakPolarHBondContact O-CB 3.07Å; N150-F153 PolarHBondContact O-N 2.69Å | ||
| 151 | S | 63.3 | Low | 76 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22 | 177.4 | 61 | 0 | 0 | 0 | 0 | 113.2 | T149 F153 | T149-S151 PolarHBondContact O-N 2.94Å; S151-F153 VanDerWaalsContact C-N 3.33Å |
| 152 | A | 67.3 | Low | 77 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L130 N150 | L130-A152 HydrophobicContact CD1-CB 3.64Å; L130-A152 WeakPolarHBondContact CD1-O 3.44Å; N150-A152 PolarHBondContact O-N 2.74Å; N150-A152 WeakPolarHBondContact OD1-CB 3.33Å; N150-A152 PolarHBondContact OD1-N 2.96Å |
| 153 | F | 74.3 | Confident | 78 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -65 | 134.7 | 179.3 | -168.3 | -106.5 | 0 | 0 | 0 | 110.9 | I125 D128 Y131 L148 N150 S151 K155 I157 K158 | I125-F153 HydrophobicContact CB-CE2 4.45Å; I125-F153 HydrophobicContact CB-CZ 4.48Å; I125-F153 HydrophobicContact CG1-CE2 4.25Å; I125-F153 HydrophobicContact CG1-CZ 3.91Å; I125-F153 HydrophobicContact CG2-CE2 4.28Å; D128-F153 HydrophobicContact CB-CD2 4.3Å; D128-F153 HydrophobicContact CB-CE2 3.94Å; D128-F153 WeakPolarHBondContact OD2-CD2 3.38Å; Y131-F153 HydrophobicContact CD2-CD2 4.19Å; Y131-F153 HydrophobicContact CD2-CE2 4.34Å; Y131-F153 AromaticContact CE2-CD2 3.91Å; Y131-F153 HydrophobicContact CE2-CD2 3.91Å; Y131-F153 HydrophobicContact CE2-CE2 4.45Å; L148-F153 HydrophobicContact CD2-CD1 4.28Å; L148-F153 HydrophobicContact CD2-CE1 3.68Å; L148-F153 HydrophobicContact CD2-CZ 3.95Å; N150-F153 HydrophobicContact CB-CB 4.41Å; N150-F153 WeakPolarHBondContact O-CB 3.07Å; N150-F153 PolarHBondContact O-N 2.69Å; S151-F153 VanDerWaalsContact C-N 3.33Å; F153-K155 PolarHBondContact O-N 2.99Å; F153-I157 HydrophobicContact CE1-CB 3.86Å; F153-I157 HydrophobicContact CE1-CG2 3.63Å; F153-I157 HydrophobicContact CZ-CB 4Å; F153-I157 HydrophobicContact CZ-CD1 4.49Å; F153-I157 HydrophobicContact CZ-CG2 3.45Å; F153-I157 VanDerWaalsContact CZ-CG2 3.45Å; F153-K158 HydrophobicContact CD1-CD 4.39Å; F153-K158 HydrophobicContact CD1-CG 3.7Å; F153-K158 HydrophobicContact CE1-CG 4.07Å |
| 154 | S | 78.1 | Confident | 78.9 | Confident | 35 Ų | 35 | 31 Ų | 31 | 25% | 0.245 | 18% | 0.175 | C | C | . | . | trans | -57.9 | 123.3 | -170.4 | 178 | 0 | 0 | 0 | 0 | 112.6 | D128 Q156 I157 K158 | D128-S154 WeakPolarHBondContact OD2-CB 3.31Å; D128-S154 PolarHBondContact OD2-N 3.2Å; S154-Q156 PolarHBondContact O-N 3.23Å; S154-Q156 PolarHBondContact OG-N 2.91Å; S154-I157 PolarHBondContact O-N 2.98Å; S154-K158 PolarHBondContact O-N 3.1Å; S154-K158 VanDerWaalsContact O-N 3.13Å | ||
| 155 | K | 81.2 | Confident | 79.8 | Confident | 62 Ų | 62 | 31 Ų | 31 | 27% | 0.27 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -53.6 | -35.8 | 173.5 | -174.6 | -177.3 | 175.2 | -179.9 | 0 | 111.8 | H89 F153 K158 G159 E211 I212 | H89-K155 HydrophobicContact CB-CG 4.18Å; F153-K155 PolarHBondContact O-N 2.99Å; K155-K158 PolarHBondContact O-N 3.33Å; K155-G159 PolarHBondContact O-N 3.46Å; K155-E211 WeakPolarHBondContact CE-OE2 3.33Å; K155-E211 IonicContact NZ-OE1 2.64Å; K155-E211 PolarHBondContact NZ-OE1 2.9Å; K155-E211 IonicContact NZ-OE2 3.64Å; K155-E211 PolarHBondContact NZ-OE2 3.15Å; K155-I212 HydrophobicContact CG-CD1 4.02Å; K155-I212 HydrophobicContact CG-CG1 3.95Å |
| 156 | Q | 83.8 | Confident | 80.8 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 11% | 0.112 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -45 | 175.8 | 175.8 | -172.5 | 11.5 | 0 | 0 | 112.1 | N83 S86 S88 S154 K158 G159 N160 | N83-Q156 PolarHBondContact O-NE2 3.4Å; N83-Q156 PolarHBondContact O-OE1 2.85Å; N83-Q156 PolarHBondContact OD1-NE2 3.27Å; S86-Q156 PolarHBondContact O-NE2 3.47Å; S86-Q156 PolarHBondContact O-OE1 3.12Å; S88-Q156 WeakPolarHBondContact O-CG 3.22Å; S154-Q156 PolarHBondContact O-N 3.23Å; S154-Q156 PolarHBondContact OG-N 2.91Å; Q156-K158 VanDerWaalsContact C-N 3.34Å; Q156-G159 PolarHBondContact O-N 3.19Å; Q156-N160 VanDerWaalsContact O-CG 3.3Å; Q156-N160 PolarHBondContact O-N 3.45Å |
| 157 | I | 83.1 | Confident | 81.7 | Confident | 12 Ų | 12 | 22.8 Ų | 22.8 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -178.2 | -61.1 | 174.2 | 0 | 0 | 0 | 110.2 | L124 D128 F153 S154 G159 N160 I161 | L124-I157 HydrophobicContact CB-CG2 4.07Å; D128-I157 HydrophobicContact CB-CD1 3.46Å; D128-I157 VanDerWaalsContact CB-CD1 3.46Å; F153-I157 HydrophobicContact CE1-CB 3.86Å; F153-I157 HydrophobicContact CE1-CG2 3.63Å; F153-I157 HydrophobicContact CZ-CB 4Å; F153-I157 HydrophobicContact CZ-CD1 4.49Å; F153-I157 HydrophobicContact CZ-CG2 3.45Å; F153-I157 VanDerWaalsContact CZ-CG2 3.45Å; S154-I157 PolarHBondContact O-N 2.98Å; I157-G159 PolarHBondContact O-N 3.4Å; I157-N160 PolarHBondContact O-N 3.1Å; I157-I161 HydrophobicContact CG2-CD1 4.1Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 3.03Å |
| 158 | K | 86 | Confident | 82.6 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.9 | -48.3 | 171.3 | -63.1 | -175.9 | 175.9 | 174.7 | 0 | 111.6 | F153 S154 K155 Q156 N160 I161 L162 F203 D206 I212 | F153-K158 HydrophobicContact CD1-CD 4.39Å; F153-K158 HydrophobicContact CD1-CG 3.7Å; F153-K158 HydrophobicContact CE1-CG 4.07Å; S154-K158 PolarHBondContact O-N 3.1Å; S154-K158 VanDerWaalsContact O-N 3.13Å; K155-K158 PolarHBondContact O-N 3.33Å; Q156-K158 VanDerWaalsContact C-N 3.34Å; K158-N160 PolarHBondContact O-N 3.22Å; K158-I161 PolarHBondContact O-N 3.27Å; K158-L162 PolarHBondContact O-N 2.89Å; K158-L162 VanDerWaalsContact O-N 3.12Å; K158-F203 HydrophobicContact CB-CE1 4.39Å; K158-F203 HydrophobicContact CB-CE2 4.11Å; K158-F203 HydrophobicContact CB-CZ 3.9Å; K158-F203 HydrophobicContact CD-CD1 4.5Å; K158-F203 HydrophobicContact CD-CE1 4.04Å; K158-F203 HydrophobicContact CD-CZ 4.37Å; K158-F203 HydrophobicContact CG-CE1 3.88Å; K158-F203 HydrophobicContact CG-CE2 4.43Å; K158-F203 HydrophobicContact CG-CZ 3.73Å; K158-D206 IonicContact NZ-OD2 3.83Å; K158-D206 PolarHBondContact NZ-OD2 3.24Å; K158-I212 HydrophobicContact CB-CD1 4.02Å; K158-I212 HydrophobicContact CB-CG1 4.49Å; K158-I212 HydrophobicContact CB-CG2 4.24Å; K158-I212 HydrophobicContact CD-CG2 4.41Å |
| 159 | G | 86.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H89 K155 Q156 I157 I161 L162 H163 | H89-G159 WeakPolarHBondContact O-CA 3.27Å; K155-G159 PolarHBondContact O-N 3.46Å; Q156-G159 PolarHBondContact O-N 3.19Å; I157-G159 PolarHBondContact O-N 3.4Å; G159-I161 PolarHBondContact O-N 2.91Å; G159-L162 PolarHBondContact O-N 3.1Å; G159-H163 WeakPolarHBondContact O-CB 3.32Å; G159-H163 PolarHBondContact O-N 3.41Å |
| 160 | N | 87.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.1 | -75 | -10.6 | 0 | 0 | 0 | 113.1 | N83 P91 Q156 I157 K158 H163 L164 | N83-N160 PolarHBondContact ND2-ND2 3.4Å; N83-N160 PolarHBondContact OD1-ND2 2.97Å; P91-N160 WeakPolarHBondContact CG-OD1 3.38Å; Q156-N160 VanDerWaalsContact O-CG 3.3Å; Q156-N160 PolarHBondContact O-N 3.45Å; I157-N160 PolarHBondContact O-N 3.1Å; K158-N160 PolarHBondContact O-N 3.22Å; N160-H163 PolarHBondContact O-N 3.35Å; N160-L164 WeakPolarHBondContact O-CB 3.42Å; N160-L164 PolarHBondContact O-N 3.21Å |
| 161 | I | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 177 | -68.6 | 166.5 | 0 | 0 | 0 | 110 | I121 L124 L148 I157 K158 G159 H163 L164 L165 I199 F203 | I121-I161 HydrophobicContact CG1-CG2 4.4Å; I121-I161 HydrophobicContact CG2-CD1 4.46Å; L124-I161 HydrophobicContact CD1-CG1 3.94Å; L148-I161 HydrophobicContact CD2-CD1 3.93Å; I157-I161 HydrophobicContact CG2-CD1 4.1Å; I157-I161 WeakPolarHBondContact O-CG1 3.45Å; I157-I161 PolarHBondContact O-N 3.03Å; K158-I161 PolarHBondContact O-N 3.27Å; G159-I161 PolarHBondContact O-N 2.91Å; I161-H163 PolarHBondContact O-N 3.27Å; I161-L164 PolarHBondContact O-N 3.28Å; I161-L165 HydrophobicContact CG2-CD1 4.31Å; I161-L165 WeakPolarHBondContact O-CG 3.45Å; I161-L165 PolarHBondContact O-N 3.36Å; I161-L165 VanDerWaalsContact O-N 3.09Å; I161-I199 HydrophobicContact CG2-CG2 4.06Å; I161-F203 HydrophobicContact CB-CE2 4.34Å; I161-F203 HydrophobicContact CD1-CZ 4.47Å; I161-F203 HydrophobicContact CG2-CE2 4.21Å |
| 162 | L | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 178.4 | -72.7 | 172.4 | 0 | 0 | 0 | 112.8 | K158 G159 L165 S166 L200 F203 I212 L215 A216 T219 | K158-L162 PolarHBondContact O-N 2.89Å; K158-L162 VanDerWaalsContact O-N 3.12Å; G159-L162 PolarHBondContact O-N 3.1Å; L162-L165 PolarHBondContact O-N 3.12Å; L162-S166 PolarHBondContact O-N 3.37Å; L162-S166 PolarHBondContact O-OG 3.08Å; L162-L200 HydrophobicContact CD2-CD2 3.92Å; L162-F203 HydrophobicContact CD1-CD2 3.83Å; L162-F203 HydrophobicContact CD1-CE2 4.47Å; L162-F203 HydrophobicContact CD2-CD2 3.74Å; L162-F203 HydrophobicContact CD2-CE2 4.43Å; L162-F203 HydrophobicContact CG-CD2 3.65Å; L162-F203 HydrophobicContact CG-CE2 4.06Å; L162-I212 HydrophobicContact CD1-CG2 3.99Å; L162-L215 HydrophobicContact CB-CD2 3.63Å; L162-L215 HydrophobicContact CB-CG 3.84Å; L162-L215 HydrophobicContact CD1-CB 3.99Å; L162-L215 HydrophobicContact CD1-CD2 3.88Å; L162-L215 HydrophobicContact CD1-CG 3.93Å; L162-L215 HydrophobicContact CG-CD2 4.42Å; L162-A216 HydrophobicContact CD1-CB 3.93Å; L162-A216 HydrophobicContact CD2-CB 3.91Å; L162-T219 HydrophobicContact CD2-CG2 4.22Å; L162-T219 PolarHBondContact O-OG1 3.18Å |
| 163 | H | 90.5 | Very high | 86.8 | Confident | 39 Ų | 39 | 18.7 Ų | 18.7 | 18% | 0.181 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.3 | -170.4 | 70.3 | 0 | 0 | 0 | 111.7 | P91 T96 G159 N160 I161 L165 S166 L167 | P91-H163 HydrophobicContact CG-CB 3.84Å; T96-H163 WeakPolarHBondContact CG2-NE2 3.44Å; T96-H163 PolarHBondContact OG1-NE2 3.12Å; G159-H163 WeakPolarHBondContact O-CB 3.32Å; G159-H163 PolarHBondContact O-N 3.41Å; N160-H163 PolarHBondContact O-N 3.35Å; I161-H163 PolarHBondContact O-N 3.27Å; H163-L165 VanDerWaalsContact C-N 3.33Å; H163-L165 PolarHBondContact O-N 3.05Å; H163-S166 PolarHBondContact O-N 2.84Å; H163-L167 VanDerWaalsContact CD2-CD1 3.47Å; H163-L167 WeakPolarHBondContact CD2-CD1 3.47Å; H163-L167 WeakPolarHBondContact NE2-CD1 3.34Å; H163-L167 WeakPolarHBondContact O-CB 3.47Å; H163-L167 WeakPolarHBondContact O-CG 3.35Å; H163-L167 PolarHBondContact O-N 3.01Å |
| 164 | L | 91.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 174.3 | 174.3 | 69 | 0 | 0 | 0 | 111.9 | Y99 I103 L117 I120 N160 I161 S166 L167 I168 | Y99-L164 HydrophobicContact CD1-CB 4.5Å; Y99-L164 HydrophobicContact CD1-CD1 3.75Å; Y99-L164 HydrophobicContact CE1-CD1 4.32Å; Y99-L164 HydrophobicContact CG-CD1 4.34Å; I103-L164 HydrophobicContact CD1-CD1 4.22Å; I103-L164 HydrophobicContact CG1-CD1 4.3Å; L117-L164 HydrophobicContact CD2-CD2 4.4Å; I120-L164 HydrophobicContact CB-CD2 4.06Å; I120-L164 HydrophobicContact CD1-CD1 4.5Å; I120-L164 HydrophobicContact CD1-CD2 4.17Å; I120-L164 HydrophobicContact CG2-CD2 3.48Å; I120-L164 VanDerWaalsContact CG2-CD2 3.48Å; N160-L164 WeakPolarHBondContact O-CB 3.42Å; N160-L164 PolarHBondContact O-N 3.21Å; I161-L164 PolarHBondContact O-N 3.28Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 3.04Å; L164-L167 PolarHBondContact O-N 3.45Å; L164-I168 PolarHBondContact O-N 3.1Å |
| 165 | L | 92.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -33.5 | 178.7 | -69.2 | 175.5 | 0 | 0 | 0 | 112.6 | L117 I161 L162 H163 I168 S169 V196 L200 T219 W223 | L117-L165 HydrophobicContact CD1-CD2 4.15Å; L117-L165 HydrophobicContact CD2-CD2 4.36Å; I161-L165 HydrophobicContact CG2-CD1 4.31Å; I161-L165 WeakPolarHBondContact O-CG 3.45Å; I161-L165 PolarHBondContact O-N 3.36Å; I161-L165 VanDerWaalsContact O-N 3.09Å; L162-L165 PolarHBondContact O-N 3.12Å; H163-L165 VanDerWaalsContact C-N 3.33Å; H163-L165 PolarHBondContact O-N 3.05Å; L165-I168 VanDerWaalsContact O-CG2 3.27Å; L165-I168 WeakPolarHBondContact O-CG2 3.49Å; L165-S169 PolarHBondContact O-OG 3.5Å; L165-V196 HydrophobicContact CD1-CG1 4.02Å; L165-V196 HydrophobicContact CD2-CG1 3.93Å; L165-V196 HydrophobicContact CD2-CG2 3.83Å; L165-L200 HydrophobicContact CD1-CD2 4.22Å; L165-T219 HydrophobicContact CB-CG2 3.56Å; L165-T219 HydrophobicContact CD1-CG2 4.47Å; L165-W223 HydrophobicContact CD2-CE3 4.32Å; L165-W223 HydrophobicContact CD2-CH2 4.38Å; L165-W223 HydrophobicContact CD2-CZ3 3.8Å |
| 166 | S | 91.9 | Very high | 87.5 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.6 | -47.5 | 175.5 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | L162 H163 L164 I168 S169 E170 T219 | L162-S166 PolarHBondContact O-N 3.37Å; L162-S166 PolarHBondContact O-OG 3.08Å; H163-S166 PolarHBondContact O-N 2.84Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 3.04Å; S166-I168 PolarHBondContact O-N 2.88Å; S166-S169 WeakPolarHBondContact O-CB 3.43Å; S166-S169 PolarHBondContact O-N 2.9Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-E170 WeakPolarHBondContact O-CG 3.49Å; S166-E170 PolarHBondContact O-N 3.17Å; S166-T219 WeakPolarHBondContact OG-CB 3.41Å; S166-T219 WeakPolarHBondContact OG-CG2 3.48Å; S166-T219 PolarHBondContact OG-OG1 2.94Å |
| 167 | L | 91.6 | Very high | 87.4 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | -179.9 | -74.3 | 176.1 | 0 | 0 | 0 | 113 | T96 Y99 E100 I103 H163 L164 S169 E170 E171 | T96-L167 HydrophobicContact CG2-CD1 4.2Å; T96-L167 HydrophobicContact CG2-CD2 4.09Å; Y99-L167 HydrophobicContact CG-CD1 4.49Å; E100-L167 HydrophobicContact CG-CD1 4.4Å; E100-L167 HydrophobicContact CG-CD2 4.23Å; I103-L167 HydrophobicContact CD1-CB 3.57Å; H163-L167 VanDerWaalsContact CD2-CD1 3.47Å; H163-L167 WeakPolarHBondContact CD2-CD1 3.47Å; H163-L167 WeakPolarHBondContact NE2-CD1 3.34Å; H163-L167 WeakPolarHBondContact O-CB 3.47Å; H163-L167 WeakPolarHBondContact O-CG 3.35Å; H163-L167 PolarHBondContact O-N 3.01Å; L164-L167 PolarHBondContact O-N 3.45Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.42Å; L167-E170 PolarHBondContact O-N 2.98Å; L167-E171 VanDerWaalsContact O-CB 3.28Å; L167-E171 WeakPolarHBondContact O-CB 3.37Å; L167-E171 WeakPolarHBondContact O-CG 3.49Å; L167-E171 PolarHBondContact O-N 3.48Å |
| 168 | I | 91.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.8 | -168.2 | 170.8 | 0 | 0 | 0 | 111.3 | I103 Y106 F107 L117 L164 L165 S166 F172 I189 W223 F227 | I103-I168 HydrophobicContact CD1-CB 4.07Å; I103-I168 HydrophobicContact CG1-CB 4.27Å; I103-I168 HydrophobicContact CG2-CG1 4.21Å; Y106-I168 HydrophobicContact CD1-CD1 4.43Å; Y106-I168 HydrophobicContact CE1-CD1 4.45Å; F107-I168 HydrophobicContact CE1-CG1 4.17Å; F107-I168 HydrophobicContact CZ-CG1 4.19Å; L117-I168 HydrophobicContact CD2-CD1 4.03Å; L164-I168 PolarHBondContact O-N 3.1Å; L165-I168 VanDerWaalsContact O-CG2 3.27Å; L165-I168 WeakPolarHBondContact O-CG2 3.49Å; S166-I168 PolarHBondContact O-N 2.88Å; I168-F172 VanDerWaalsContact O-CB 3.27Å; I168-F172 WeakPolarHBondContact O-CB 3.46Å; I168-F172 PolarHBondContact O-N 3.35Å; I168-F172 VanDerWaalsContact O-N 3.07Å; I168-I189 HydrophobicContact CD1-CD1 3.93Å; I168-I189 HydrophobicContact CD1-CG1 4.28Å; I168-I189 HydrophobicContact CG1-CD1 4.28Å; I168-W223 HydrophobicContact CG2-CZ3 3.99Å; I168-F227 HydrophobicContact CG2-CE2 4.5Å |
| 169 | S | 87.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -43.8 | 175.4 | -66 | 0 | 0 | 0 | 0 | 112 | L165 S166 L167 F172 I222 N226 F227 | L165-S169 PolarHBondContact O-OG 3.5Å; S166-S169 WeakPolarHBondContact O-CB 3.43Å; S166-S169 PolarHBondContact O-N 2.9Å; S166-S169 VanDerWaalsContact O-N 3.16Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 3.42Å; S169-F172 PolarHBondContact O-N 2.84Å; S169-I222 VanDerWaalsContact CB-CG2 3.48Å; S169-N226 PolarHBondContact O-ND2 3.42Å; S169-F227 WeakPolarHBondContact OG-CE2 3.47Å |
| 170 | E | 88.1 | Confident | 87 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.6 | -50.5 | 178.1 | -71.8 | 171.9 | -168.7 | 0 | 0 | 111.5 | S166 L167 F172 T173 T174 I222 | S166-E170 WeakPolarHBondContact O-CG 3.49Å; S166-E170 PolarHBondContact O-N 3.17Å; L167-E170 PolarHBondContact O-N 2.98Å; E170-F172 PolarHBondContact O-N 3.29Å; E170-T173 PolarHBondContact O-N 3.5Å; E170-T173 PolarHBondContact O-OG1 3.31Å; E170-T174 PolarHBondContact O-N 3.17Å; E170-T174 VanDerWaalsContact O-N 3.15Å; E170-T174 PolarHBondContact O-OG1 3.26Å; E170-I222 HydrophobicContact CG-CG2 4.28Å |
| 171 | E | 87.4 | Confident | 86.8 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -32.5 | 178.4 | -74 | -75.1 | 145.6 | 0 | 0 | 112.2 | R53 I103 F107 L167 T173 T174 A175 | R53-E171 IonicContact CZ-OE1 3.55Å; R53-E171 IonicContact CZ-OE2 3.58Å; R53-E171 IonicContact NH1-OE1 2.82Å; R53-E171 PolarHBondContact NH1-OE1 3.18Å; R53-E171 IonicContact NH2-OE1 2.53Å; R53-E171 PolarHBondContact NH2-OE1 2.98Å; R53-E171 IonicContact NH2-OE2 2.73Å; R53-E171 PolarHBondContact NH2-OE2 2.84Å; I103-E171 HydrophobicContact CG2-CB 3.99Å; I103-E171 HydrophobicContact CG2-CG 4.4Å; F107-E171 HydrophobicContact CE2-CB 3.9Å; F107-E171 HydrophobicContact CZ-CB 4.44Å; L167-E171 VanDerWaalsContact O-CB 3.28Å; L167-E171 WeakPolarHBondContact O-CB 3.37Å; L167-E171 WeakPolarHBondContact O-CG 3.49Å; L167-E171 PolarHBondContact O-N 3.48Å; E171-T173 PolarHBondContact O-N 3.2Å; E171-T174 WeakPolarHBondContact CA-OG1 3.21Å; E171-T174 PolarHBondContact O-N 3.23Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 3.22Å |
| 172 | F | 87.5 | Confident | 86.5 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -32.5 | 176.3 | -177.3 | -100.4 | 0 | 0 | 0 | 112.7 | F107 I168 S169 E170 K182 I185 K186 F227 | F107-F172 HydrophobicContact CZ-CB 4.03Å; F107-F172 HydrophobicContact CZ-CD2 4.3Å; I168-F172 VanDerWaalsContact O-CB 3.27Å; I168-F172 WeakPolarHBondContact O-CB 3.46Å; I168-F172 PolarHBondContact O-N 3.35Å; I168-F172 VanDerWaalsContact O-N 3.07Å; S169-F172 PolarHBondContact O-N 2.84Å; E170-F172 PolarHBondContact O-N 3.29Å; F172-K182 HydrophobicContact CE2-CB 4.14Å; F172-K182 HydrophobicContact CE2-CG 4.15Å; F172-K182 HydrophobicContact CZ-CB 3.95Å; F172-K182 HydrophobicContact CZ-CD 4.28Å; F172-K182 HydrophobicContact CZ-CG 4.11Å; F172-I185 HydrophobicContact CD2-CG2 3.78Å; F172-I185 HydrophobicContact CE2-CB 4.16Å; F172-I185 HydrophobicContact CE2-CG2 3.79Å; F172-K186 VanDerWaalsContact CE1-CE 3.45Å; F172-K186 HydrophobicContact CE1-CG 4.37Å; F172-K186 HydrophobicContact CE2-CG 4.17Å; F172-K186 HydrophobicContact CZ-CD 4.07Å; F172-K186 VanDerWaalsContact CZ-CE 3.42Å; F172-K186 HydrophobicContact CZ-CG 3.65Å; F172-F227 HydrophobicContact CB-CE1 4.05Å; F172-F227 HydrophobicContact CB-CZ 3.83Å; F172-F227 HydrophobicContact CD1-CD1 4.45Å; F172-F227 AromaticContact CD1-CE1 3.7Å; F172-F227 HydrophobicContact CD1-CE1 3.7Å; F172-F227 HydrophobicContact CD1-CZ 4.28Å; F172-F227 AromaticContact CD2-CE1 3.92Å; F172-F227 HydrophobicContact CD2-CE1 3.92Å; F172-F227 HydrophobicContact CD2-CZ 4.42Å; F172-F227 HydrophobicContact CE1-CE1 4.13Å; F172-F227 HydrophobicContact CE2-CE1 4.31Å; F172-F227 AromaticContact CG-CE1 3.6Å; F172-F227 HydrophobicContact CG-CE1 3.6Å; F172-F227 AromaticContact CG-CZ 3.93Å; F172-F227 HydrophobicContact CG-CZ 3.93Å; F172-F227 HydrophobicContact CZ-CE1 4.42Å |
| 173 | T | 82.5 | Confident | 86.1 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.8 | -37.7 | 177.5 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | E170 E171 N226 | E170-T173 PolarHBondContact O-N 3.5Å; E170-T173 PolarHBondContact O-OG1 3.31Å; E171-T173 PolarHBondContact O-N 3.2Å; T173-N226 HydrophobicContact CG2-CB 4.4Å; T173-N226 WeakPolarHBondContact CG2-ND2 3.36Å |
| 174 | T | 85.2 | Confident | 85.8 | Confident | 96 Ų | 96 | 52.1 Ų | 52.1 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -87 | -25.3 | -174 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | E170 E171 | E170-T174 PolarHBondContact O-N 3.17Å; E170-T174 VanDerWaalsContact O-N 3.15Å; E170-T174 PolarHBondContact O-OG1 3.26Å; E171-T174 WeakPolarHBondContact CA-OG1 3.21Å; E171-T174 PolarHBondContact O-N 3.23Å |
| 175 | A | 81.3 | Confident | 85.5 | Confident | 24 Ų | 24 | 52 Ų | 52 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -70.9 | 136.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F107 E171 L177 | F107-A175 HydrophobicContact CD2-CB 4.21Å; F107-A175 HydrophobicContact CE2-CB 4.36Å; E171-A175 WeakPolarHBondContact O-CB 3.47Å; E171-A175 PolarHBondContact O-N 3.22Å; A175-L177 HydrophobicContact CB-CD1 3.99Å; A175-L177 HydrophobicContact CB-CD2 4.38Å; A175-L177 HydrophobicContact CB-CG 3.8Å; A175-L177 PolarHBondContact O-N 3.3Å |
| 176 | Q | 81.7 | Confident | 84.9 | Confident | 206 Ų | 206 | 55 Ų | 55 | 96% | 0.963 | 30% | 0.296 | S | S | * | . | trans | -75.5 | 65.9 | 175.8 | -67.1 | -173.9 | -7.8 | 0 | 0 | 111.8 | ||||
| 177 | L | 81.2 | Confident | 84.3 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 20% | 0.199 | 32% | 0.324 | C | S | . | . | trans | -92.7 | 137.7 | 179.5 | -57.7 | 168.9 | 0 | 0 | 0 | 110.4 | F107 A175 V181 K182 I185 | F107-L177 HydrophobicContact CB-CD2 4.17Å; F107-L177 HydrophobicContact CD2-CD1 3.89Å; F107-L177 HydrophobicContact CE2-CD1 4.19Å; F107-L177 HydrophobicContact CG-CD1 4.26Å; A175-L177 HydrophobicContact CB-CD1 3.99Å; A175-L177 HydrophobicContact CB-CD2 4.38Å; A175-L177 HydrophobicContact CB-CG 3.8Å; A175-L177 PolarHBondContact O-N 3.3Å; L177-V181 HydrophobicContact CB-CG1 4.36Å; L177-V181 HydrophobicContact CD2-CG1 3.95Å; L177-K182 HydrophobicContact CB-CD 4.47Å; L177-K182 HydrophobicContact CB-CG 3.7Å; L177-K182 HydrophobicContact CD1-CG 4.32Å; L177-I185 HydrophobicContact CD1-CD1 3.63Å; L177-I185 HydrophobicContact CD2-CD1 4.4Å | ||
| 178 | T | 82.8 | Confident | 83.7 | Confident | 86 Ų | 86 | 61.6 Ų | 61.6 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | trans | -64.3 | 153.1 | 170.7 | 60.6 | 0 | 0 | 0 | 0 | 110.4 | S180 V181 K182 | T178-S180 PolarHBondContact O-N 2.89Å; T178-S180 PolarHBondContact OG1-OG 3Å; T178-V181 PolarHBondContact O-N 3.24Å; T178-V181 VanDerWaalsContact OG1-CG2 3.28Å; T178-V181 WeakPolarHBondContact OG1-CG2 3.45Å; T178-V181 PolarHBondContact OG1-N 3.42Å; T178-K182 PolarHBondContact O-N 2.84Å | ||
| 179 | H | 82 | Confident | 83.3 | Confident | 156 Ų | 156 | 61.6 Ų | 61.6 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54.4 | -39 | 179.3 | -177.8 | -81.5 | 0 | 0 | 0 | 112.5 | K182 C183 | H179-K182 PolarHBondContact O-N 3.29Å; H179-C183 PolarHBondContact CE1-SG 3.3Å; H179-C183 PolarHBondContact O-N 3.29Å; H179-C183 PolarHBondContact O-SG 2.63Å; H179-C183 VanDerWaalsContact O-SG 3.35Å |
| 180 | S | 82.1 | Confident | 82.8 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 53% | 0.531 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177 | 55 | 0 | 0 | 0 | 0 | 112.8 | T178 C183 I184 | T178-S180 PolarHBondContact O-N 2.89Å; T178-S180 PolarHBondContact OG1-OG 3Å; S180-C183 PolarHBondContact O-N 2.68Å; S180-I184 WeakPolarHBondContact O-CG1 3.13Å; S180-I184 PolarHBondContact O-N 3.19Å |
| 181 | V | 83.1 | Confident | 82.4 | Confident | 38 Ų | 38 | 66 Ų | 66 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L177 T178 C183 I184 I185 | L177-V181 HydrophobicContact CB-CG1 4.36Å; L177-V181 HydrophobicContact CD2-CG1 3.95Å; T178-V181 PolarHBondContact O-N 3.24Å; T178-V181 VanDerWaalsContact OG1-CG2 3.28Å; T178-V181 WeakPolarHBondContact OG1-CG2 3.45Å; T178-V181 PolarHBondContact OG1-N 3.42Å; V181-C183 VanDerWaalsContact C-N 3.32Å; V181-C183 PolarHBondContact O-N 2.94Å; V181-I184 PolarHBondContact O-N 3.18Å; V181-I185 HydrophobicContact CG1-CD1 3.61Å; V181-I185 HydrophobicContact CG1-CG1 4.33Å; V181-I185 WeakPolarHBondContact O-CG1 3.48Å; V181-I185 PolarHBondContact O-N 2.99Å |
| 182 | K | 84.1 | Confident | 82.1 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 173.7 | -71.9 | -167.6 | 177 | -166.8 | 0 | 112.1 | F172 L177 T178 H179 I185 K186 | F172-K182 HydrophobicContact CE2-CB 4.14Å; F172-K182 HydrophobicContact CE2-CG 4.15Å; F172-K182 HydrophobicContact CZ-CB 3.95Å; F172-K182 HydrophobicContact CZ-CD 4.28Å; F172-K182 HydrophobicContact CZ-CG 4.11Å; L177-K182 HydrophobicContact CB-CD 4.47Å; L177-K182 HydrophobicContact CB-CG 3.7Å; L177-K182 HydrophobicContact CD1-CG 4.32Å; T178-K182 PolarHBondContact O-N 2.84Å; H179-K182 PolarHBondContact O-N 3.29Å; K182-I185 PolarHBondContact O-N 3.46Å; K182-K186 WeakPolarHBondContact O-CB 3.37Å; K182-K186 WeakPolarHBondContact O-CG 3.48Å; K182-K186 PolarHBondContact O-N 2.99Å |
| 183 | C | 82.2 | Confident | 81.9 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 175 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | H179 S180 V181 I185 K186 E187 | H179-C183 PolarHBondContact CE1-SG 3.3Å; H179-C183 PolarHBondContact O-N 3.29Å; H179-C183 PolarHBondContact O-SG 2.63Å; H179-C183 VanDerWaalsContact O-SG 3.35Å; S180-C183 PolarHBondContact O-N 2.68Å; V181-C183 VanDerWaalsContact C-N 3.32Å; V181-C183 PolarHBondContact O-N 2.94Å; C183-I185 VanDerWaalsContact C-N 3.34Å; C183-I185 PolarHBondContact O-N 2.92Å; C183-K186 PolarHBondContact O-N 3.34Å; C183-E187 WeakPolarHBondContact O-CG 3.3Å; C183-E187 PolarHBondContact O-N 2.65Å |
| 184 | I | 83.5 | Confident | 82 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 179.8 | -62.8 | 164.5 | 0 | 0 | 0 | 110.9 | P110 K111 S180 V181 E187 G188 | P110-I184 HydrophobicContact CB-CG2 4.01Å; P110-I184 HydrophobicContact CG-CG2 4.16Å; K111-I184 HydrophobicContact CG-CG2 4.28Å; S180-I184 WeakPolarHBondContact O-CG1 3.13Å; S180-I184 PolarHBondContact O-N 3.19Å; V181-I184 PolarHBondContact O-N 3.18Å; I184-E187 PolarHBondContact O-N 2.91Å; I184-G188 PolarHBondContact O-N 2.98Å |
| 185 | I | 84.6 | Confident | 82 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.2 | -70.6 | 163 | 0 | 0 | 0 | 110.5 | Y106 F107 P110 F172 L177 V181 K182 C183 E187 G188 I189 | Y106-I185 HydrophobicContact CE1-CG2 4.02Å; F107-I185 HydrophobicContact CB-CD1 4.05Å; F107-I185 HydrophobicContact CD1-CD1 3.58Å; F107-I185 HydrophobicContact CD1-CG1 4.1Å; F107-I185 HydrophobicContact CD1-CG2 4.09Å; F107-I185 HydrophobicContact CE1-CD1 4.17Å; F107-I185 HydrophobicContact CE1-CG2 3.73Å; F107-I185 HydrophobicContact CG-CD1 3.85Å; P110-I185 HydrophobicContact CB-CG1 3.83Å; P110-I185 HydrophobicContact CG-CG1 4.39Å; F172-I185 HydrophobicContact CD2-CG2 3.78Å; F172-I185 HydrophobicContact CE2-CB 4.16Å; F172-I185 HydrophobicContact CE2-CG2 3.79Å; L177-I185 HydrophobicContact CD1-CD1 3.63Å; L177-I185 HydrophobicContact CD2-CD1 4.4Å; V181-I185 HydrophobicContact CG1-CD1 3.61Å; V181-I185 HydrophobicContact CG1-CG1 4.33Å; V181-I185 WeakPolarHBondContact O-CG1 3.48Å; V181-I185 PolarHBondContact O-N 2.99Å; K182-I185 PolarHBondContact O-N 3.46Å; C183-I185 VanDerWaalsContact C-N 3.34Å; C183-I185 PolarHBondContact O-N 2.92Å; I185-E187 VanDerWaalsContact C-N 3.34Å; I185-E187 PolarHBondContact O-N 3.45Å; I185-G188 PolarHBondContact O-N 3.19Å; I185-I189 HydrophobicContact CG2-CD1 3.66Å; I185-I189 HydrophobicContact CG2-CG1 4.31Å; I185-I189 WeakPolarHBondContact O-CB 3.18Å; I185-I189 WeakPolarHBondContact O-CG1 3.38Å; I185-I189 PolarHBondContact O-N 3.47Å |
| 186 | K | 81.3 | Confident | 82.3 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 27% | 0.274 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175 | -78.5 | -169.8 | 176 | -161.3 | 0 | 111.9 | F172 K182 C183 I189 H190 F227 | F172-K186 VanDerWaalsContact CE1-CE 3.45Å; F172-K186 HydrophobicContact CE1-CG 4.37Å; F172-K186 HydrophobicContact CE2-CG 4.17Å; F172-K186 HydrophobicContact CZ-CD 4.07Å; F172-K186 VanDerWaalsContact CZ-CE 3.42Å; F172-K186 HydrophobicContact CZ-CG 3.65Å; K182-K186 WeakPolarHBondContact O-CB 3.37Å; K182-K186 WeakPolarHBondContact O-CG 3.48Å; K182-K186 PolarHBondContact O-N 2.99Å; C183-K186 PolarHBondContact O-N 3.34Å; K186-I189 PolarHBondContact O-N 3.22Å; K186-H190 VanDerWaalsContact O-CB 3.26Å; K186-H190 WeakPolarHBondContact O-CB 3.45Å; K186-H190 PolarHBondContact O-N 3.17Å; K186-F227 HydrophobicContact CG-CD1 4.47Å |
| 187 | E | 77.7 | Confident | 82.5 | Confident | 136 Ų | 136 | 54.1 Ų | 54.1 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 175.1 | -73.5 | 174.3 | -178.6 | 0 | 0 | 112.1 | C183 I184 I185 H190 S191 | C183-E187 WeakPolarHBondContact O-CG 3.3Å; C183-E187 PolarHBondContact O-N 2.65Å; I184-E187 PolarHBondContact O-N 2.91Å; I185-E187 VanDerWaalsContact C-N 3.34Å; I185-E187 PolarHBondContact O-N 3.45Å; E187-H190 WeakPolarHBondContact O-CB 3.48Å; E187-H190 PolarHBondContact O-N 2.99Å; E187-S191 PolarHBondContact O-N 3.34Å |
| 188 | G | 79 | Confident | 82.8 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I184 I185 S191 | I184-G188 PolarHBondContact O-N 2.98Å; I185-G188 PolarHBondContact O-N 3.19Å; G188-S191 WeakPolarHBondContact O-CB 3.3Å; G188-S191 PolarHBondContact O-N 3.16Å; G188-S191 PolarHBondContact O-OG 3.03Å |
| 189 | I | 83.2 | Confident | 83 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 176.3 | -69.4 | 172.4 | 0 | 0 | 0 | 111.1 | Y106 I168 I185 K186 S191 D192 E193 W223 F227 | Y106-I189 HydrophobicContact CE1-CG1 4.39Å; I168-I189 HydrophobicContact CD1-CD1 3.93Å; I168-I189 HydrophobicContact CD1-CG1 4.28Å; I168-I189 HydrophobicContact CG1-CD1 4.28Å; I185-I189 HydrophobicContact CG2-CD1 3.66Å; I185-I189 HydrophobicContact CG2-CG1 4.31Å; I185-I189 WeakPolarHBondContact O-CB 3.18Å; I185-I189 WeakPolarHBondContact O-CG1 3.38Å; I185-I189 PolarHBondContact O-N 3.47Å; K186-I189 PolarHBondContact O-N 3.22Å; I189-S191 PolarHBondContact O-N 2.97Å; I189-D192 PolarHBondContact O-N 2.92Å; I189-E193 PolarHBondContact O-N 2.63Å; I189-W223 HydrophobicContact CG2-CH2 3.49Å; I189-W223 VanDerWaalsContact CG2-CH2 3.49Å; I189-W223 HydrophobicContact CG2-CZ2 3.72Å; I189-W223 HydrophobicContact CG2-CZ3 4.45Å; I189-F227 HydrophobicContact CD1-CD1 4.17Å; I189-F227 HydrophobicContact CD1-CE1 3.42Å; I189-F227 VanDerWaalsContact CD1-CE1 3.42Å; I189-F227 HydrophobicContact CD1-CE2 4.13Å; I189-F227 HydrophobicContact CD1-CZ 3.4Å; I189-F227 VanDerWaalsContact CD1-CZ 3.4Å; I189-F227 HydrophobicContact CG2-CD1 4.39Å; I189-F227 HydrophobicContact CG2-CD2 4.4Å; I189-F227 HydrophobicContact CG2-CG 4.31Å |
| 190 | H | 78.8 | Confident | 83.4 | Confident | 120 Ų | 120 | 42.7 Ų | 42.7 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -59 | -31.2 | 176.4 | -169.6 | 63.3 | 0 | 0 | 0 | 112.1 | K186 E187 D192 E193 | K186-H190 VanDerWaalsContact O-CB 3.26Å; K186-H190 WeakPolarHBondContact O-CB 3.45Å; K186-H190 PolarHBondContact O-N 3.17Å; E187-H190 WeakPolarHBondContact O-CB 3.48Å; E187-H190 PolarHBondContact O-N 2.99Å; H190-D192 PolarHBondContact O-N 2.88Å; H190-E193 IonicContact CE1-OE2 2.66Å; H190-E193 PolarHBondContact CE1-OE2 3.39Å; H190-E193 IonicContact CG-OE2 2.99Å; H190-E193 IonicContact ND1-OE2 2.89Å; H190-E193 PolarHBondContact ND1-OE2 3.16Å; H190-E193 VanDerWaalsContact O-CB 3.27Å; H190-E193 WeakPolarHBondContact O-CB 3.28Å; H190-E193 PolarHBondContact O-N 3.41Å |
| 191 | S | 79.3 | Confident | 83.7 | Confident | 55 Ų | 55 | 42.5 Ų | 42.5 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24 | 175.8 | 79.6 | 0 | 0 | 0 | 0 | 114 | H115 E187 G188 I189 | H115-S191 PolarHBondContact CE1-O 3.08Å; H115-S191 PolarHBondContact ND1-OG 3.04Å; E187-S191 PolarHBondContact O-N 3.34Å; G188-S191 WeakPolarHBondContact O-CB 3.3Å; G188-S191 PolarHBondContact O-N 3.16Å; G188-S191 PolarHBondContact O-OG 3.03Å; I189-S191 PolarHBondContact O-N 2.97Å |
| 192 | D | 81.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 3.2 | 177.3 | -70.8 | -27.4 | 0 | 0 | 0 | 112.6 | H115 P116 L117 R118 I189 H190 I194 L195 V196 | H115-D192 WeakPolarHBondContact CA-OD1 3.22Å; H115-D192 VanDerWaalsContact CA-OD2 3.31Å; H115-D192 WeakPolarHBondContact CA-OD2 3.48Å; H115-D192 WeakPolarHBondContact CB-OD1 3.24Å; H115-D192 IonicContact CE1-OD1 3.68Å; H115-D192 IonicContact CG-OD1 2.73Å; H115-D192 IonicContact ND1-OD1 3.63Å; H115-D192 PolarHBondContact ND1-OD1 2.84Å; P116-D192 WeakPolarHBondContact CD-OD2 3.23Å; L117-D192 HydrophobicContact CB-CB 4.08Å; L117-D192 WeakPolarHBondContact CB-OD2 3.45Å; L117-D192 HydrophobicContact CD1-CB 4.28Å; L117-D192 PolarHBondContact N-OD2 3.28Å; R118-D192 PolarHBondContact N-OD2 3.06Å; I189-D192 PolarHBondContact O-N 2.92Å; H190-D192 PolarHBondContact O-N 2.88Å; D192-I194 PolarHBondContact O-N 2.75Å; D192-L195 WeakPolarHBondContact O-CB 3.21Å; D192-L195 PolarHBondContact O-N 3.38Å; D192-L195 VanDerWaalsContact O-N 3.16Å; D192-V196 WeakPolarHBondContact O-CG2 3.48Å; D192-V196 PolarHBondContact O-N 3.47Å |
| 193 | E | 83.2 | Confident | 84.2 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | -170.9 | -171.5 | -172.8 | 132.5 | 0 | 0 | 113.2 | I189 H190 L195 V196 R197 Y240 | I189-E193 PolarHBondContact O-N 2.63Å; H190-E193 IonicContact CE1-OE2 2.66Å; H190-E193 PolarHBondContact CE1-OE2 3.39Å; H190-E193 IonicContact CG-OE2 2.99Å; H190-E193 IonicContact ND1-OE2 2.89Å; H190-E193 PolarHBondContact ND1-OE2 3.16Å; H190-E193 VanDerWaalsContact O-CB 3.27Å; H190-E193 WeakPolarHBondContact O-CB 3.28Å; H190-E193 PolarHBondContact O-N 3.41Å; E193-L195 VanDerWaalsContact C-N 3.29Å; E193-L195 PolarHBondContact O-N 2.95Å; E193-V196 PolarHBondContact O-N 3.29Å; E193-R197 WeakPolarHBondContact O-CB 3.3Å; E193-R197 PolarHBondContact O-N 3.02Å; E193-Y240 HydrophobicContact CG-CE2 4.28Å; E193-Y240 WeakPolarHBondContact CG-OH 3.37Å; E193-Y240 VanDerWaalsContact OE1-CE2 3.3Å; E193-Y240 WeakPolarHBondContact OE1-CE2 3.38Å |
| 194 | I | 83.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 37.1 Ų | 37.1 | 51% | 0.508 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | -179.1 | -62.9 | 174.5 | 0 | 0 | 0 | 110.4 | D192 N198 | D192-I194 PolarHBondContact O-N 2.75Å; I194-N198 WeakPolarHBondContact O-CB 3.29Å; I194-N198 PolarHBondContact O-N 2.94Å; I194-N198 VanDerWaalsContact O-N 3.08Å; I194-N198 PolarHBondContact O-ND2 3.44Å |
| 195 | L | 85.2 | Confident | 84.6 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -52.2 | 176.7 | 176.2 | 65.5 | 0 | 0 | 0 | 110 | R118 I121 I144 D192 E193 R197 N198 I199 | R118-L195 HydrophobicContact CB-CD2 3.95Å; R118-L195 HydrophobicContact CG-CD2 4.04Å; I121-L195 HydrophobicContact CD1-CD2 4.05Å; I144-L195 HydrophobicContact CD1-CD1 4.29Å; I144-L195 HydrophobicContact CG2-CD1 3.95Å; D192-L195 WeakPolarHBondContact O-CB 3.21Å; D192-L195 PolarHBondContact O-N 3.38Å; D192-L195 VanDerWaalsContact O-N 3.16Å; E193-L195 VanDerWaalsContact C-N 3.29Å; E193-L195 PolarHBondContact O-N 2.95Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 3.43Å; L195-N198 PolarHBondContact O-N 2.79Å; L195-N198 VanDerWaalsContact O-N 3.16Å; L195-I199 HydrophobicContact CD1-CD1 4.04Å; L195-I199 HydrophobicContact CD1-CG1 4.37Å; L195-I199 HydrophobicContact CG-CD1 3.92Å; L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.35Å; L195-I199 PolarHBondContact O-N 3.45Å |
| 196 | V | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | -179.7 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L117 L165 D192 E193 N198 I199 L200 W223 | L117-V196 HydrophobicContact CD1-CG2 3.83Å; L165-V196 HydrophobicContact CD1-CG1 4.02Å; L165-V196 HydrophobicContact CD2-CG1 3.93Å; L165-V196 HydrophobicContact CD2-CG2 3.83Å; D192-V196 WeakPolarHBondContact O-CG2 3.48Å; D192-V196 PolarHBondContact O-N 3.47Å; E193-V196 PolarHBondContact O-N 3.29Å; V196-N198 VanDerWaalsContact C-N 3.3Å; V196-N198 PolarHBondContact O-N 2.86Å; V196-I199 PolarHBondContact O-N 3.34Å; V196-I199 VanDerWaalsContact O-N 3.17Å; V196-L200 HydrophobicContact CG1-CD1 3.9Å; V196-L200 HydrophobicContact CG1-CG 4.22Å; V196-L200 WeakPolarHBondContact O-CG 3.48Å; V196-L200 PolarHBondContact O-N 2.73Å; V196-W223 HydrophobicContact CB-CH2 4.19Å; V196-W223 HydrophobicContact CB-CZ2 3.91Å; V196-W223 HydrophobicContact CG1-CD2 3.9Å; V196-W223 HydrophobicContact CG1-CE3 4.14Å; V196-W223 HydrophobicContact CG1-CH2 3.89Å; V196-W223 HydrophobicContact CG1-CZ2 3.65Å; V196-W223 HydrophobicContact CG1-CZ3 4.13Å; V196-W223 HydrophobicContact CG2-CH2 3.77Å; V196-W223 HydrophobicContact CG2-CZ2 3.96Å; V196-W223 HydrophobicContact CG2-CZ3 4.46Å |
| 197 | R | 86.9 | Confident | 84.3 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 177.2 | -171.9 | 178.8 | 62.5 | -134.8 | -0.8 | 111.9 | E193 L195 K201 S239 Y240 I243 | E193-R197 WeakPolarHBondContact O-CB 3.3Å; E193-R197 PolarHBondContact O-N 3.02Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 3.43Å; R197-K201 VanDerWaalsContact O-CB 3.28Å; R197-K201 WeakPolarHBondContact O-CB 3.28Å; R197-K201 PolarHBondContact O-N 2.69Å; R197-S239 VanDerWaalsContact CD-O 3.31Å; R197-S239 WeakPolarHBondContact CD-O 3.46Å; R197-S239 PolarHBondContact NH1-OG 2.88Å; R197-Y240 HydrophobicContact CG-CE1 4.42Å; R197-I243 HydrophobicContact CB-CD1 4.44Å; R197-I243 HydrophobicContact CG-CD1 3.61Å; R197-I243 HydrophobicContact CG-CG1 4.4Å |
| 198 | N | 86.8 | Confident | 84.2 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 178.7 | -69.2 | -28.5 | 0 | 0 | 0 | 112 | Q145 I194 L195 V196 K201 Q202 | Q145-N198 PolarHBondContact NE2-ND2 3.36Å; I194-N198 WeakPolarHBondContact O-CB 3.29Å; I194-N198 PolarHBondContact O-N 2.94Å; I194-N198 VanDerWaalsContact O-N 3.08Å; I194-N198 PolarHBondContact O-ND2 3.44Å; L195-N198 PolarHBondContact O-N 2.79Å; L195-N198 VanDerWaalsContact O-N 3.16Å; V196-N198 VanDerWaalsContact C-N 3.3Å; V196-N198 PolarHBondContact O-N 2.86Å; N198-K201 PolarHBondContact O-N 2.85Å; N198-Q202 WeakPolarHBondContact O-CB 3.4Å; N198-Q202 VanDerWaalsContact O-CG 3.26Å; N198-Q202 WeakPolarHBondContact O-CG 3.37Å; N198-Q202 PolarHBondContact O-N 2.87Å |
| 199 | I | 87.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -50.1 | 176.4 | -66.1 | 175 | 0 | 0 | 0 | 110.7 | I121 L148 I161 L195 V196 K201 Q202 F203 | I121-I199 HydrophobicContact CD1-CD1 3.6Å; I121-I199 HydrophobicContact CG1-CD1 4.49Å; I121-I199 HydrophobicContact CG2-CD1 4.26Å; L148-I199 HydrophobicContact CD1-CD1 4.01Å; L148-I199 HydrophobicContact CD1-CG1 3.59Å; L148-I199 HydrophobicContact CD1-CG2 4.46Å; I161-I199 HydrophobicContact CG2-CG2 4.06Å; L195-I199 HydrophobicContact CD1-CD1 4.04Å; L195-I199 HydrophobicContact CD1-CG1 4.37Å; L195-I199 HydrophobicContact CG-CD1 3.92Å; L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.35Å; L195-I199 PolarHBondContact O-N 3.45Å; V196-I199 PolarHBondContact O-N 3.34Å; V196-I199 VanDerWaalsContact O-N 3.17Å; I199-K201 PolarHBondContact O-N 3.41Å; I199-Q202 PolarHBondContact O-N 3.11Å; I199-F203 HydrophobicContact CG2-CD2 3.82Å; I199-F203 HydrophobicContact CG2-CE2 3.64Å; I199-F203 HydrophobicContact CG2-CG 4.4Å; I199-F203 HydrophobicContact CG2-CZ 4.06Å; I199-F203 WeakPolarHBondContact O-CG 3.45Å; I199-F203 PolarHBondContact O-N 3.03Å |
| 200 | L | 90.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 178.2 | -66.7 | 174.6 | 0 | 0 | 0 | 110.8 | L162 L165 V196 Q202 F203 I204 T219 W223 I243 | L162-L200 HydrophobicContact CD2-CD2 3.92Å; L165-L200 HydrophobicContact CD1-CD2 4.22Å; V196-L200 HydrophobicContact CG1-CD1 3.9Å; V196-L200 HydrophobicContact CG1-CG 4.22Å; V196-L200 WeakPolarHBondContact O-CG 3.48Å; V196-L200 PolarHBondContact O-N 2.73Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 3.44Å; L200-F203 PolarHBondContact O-N 3.42Å; L200-I204 WeakPolarHBondContact O-CD1 3.42Å; L200-I204 VanDerWaalsContact O-CG1 3.23Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 3.03Å; L200-T219 HydrophobicContact CD2-CG2 3.97Å; L200-W223 HydrophobicContact CD1-CG 4.4Å; L200-I243 HydrophobicContact CB-CD1 4.06Å; L200-I243 HydrophobicContact CD1-CD1 4.48Å |
| 201 | K | 88.6 | Confident | 84.9 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 32% | 0.317 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.3 | -39.6 | 176.8 | -174.1 | 168.2 | -174.4 | 171.4 | 0 | 112.4 | R197 N198 I199 N205 D242 I243 I246 | R197-K201 VanDerWaalsContact O-CB 3.28Å; R197-K201 WeakPolarHBondContact O-CB 3.28Å; R197-K201 PolarHBondContact O-N 2.69Å; N198-K201 PolarHBondContact O-N 2.85Å; I199-K201 PolarHBondContact O-N 3.41Å; K201-N205 PolarHBondContact O-ND2 3.48Å; K201-D242 IonicContact NZ-OD2 3.75Å; K201-D242 PolarHBondContact NZ-OD2 2.84Å; K201-I243 HydrophobicContact CB-CG1 4.48Å; K201-I246 HydrophobicContact CD-CD1 4.14Å; K201-I246 HydrophobicContact CG-CD1 3.61Å |
| 202 | Q | 86.6 | Confident | 85.4 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.3 | -46.2 | 177.9 | -75.1 | 176.2 | -6.4 | 0 | 0 | 112 | Q145 T149 N198 I199 L200 N205 D206 | Q145-Q202 VanDerWaalsContact CB-NE2 3.33Å; T149-Q202 HydrophobicContact CG2-CG 4.1Å; N198-Q202 WeakPolarHBondContact O-CB 3.4Å; N198-Q202 VanDerWaalsContact O-CG 3.26Å; N198-Q202 WeakPolarHBondContact O-CG 3.37Å; N198-Q202 PolarHBondContact O-N 2.87Å; I199-Q202 PolarHBondContact O-N 3.11Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 3.44Å; Q202-N205 CarbonylContact O-C 3.55Å; Q202-N205 PolarHBondContact O-N 3.12Å; Q202-D206 PolarHBondContact O-N 2.71Å |
| 203 | F | 89.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.7 | -33.3 | -176 | -71.4 | -6 | 0 | 0 | 0 | 113.5 | L148 K158 I161 L162 I199 L200 N205 D206 I212 A216 | L148-F203 HydrophobicContact CB-CE1 4.15Å; L148-F203 HydrophobicContact CD2-CE1 4.26Å; L148-F203 HydrophobicContact CD2-CZ 3.98Å; K158-F203 HydrophobicContact CB-CE1 4.39Å; K158-F203 HydrophobicContact CB-CE2 4.11Å; K158-F203 HydrophobicContact CB-CZ 3.9Å; K158-F203 HydrophobicContact CD-CD1 4.5Å; K158-F203 HydrophobicContact CD-CE1 4.04Å; K158-F203 HydrophobicContact CD-CZ 4.37Å; K158-F203 HydrophobicContact CG-CE1 3.88Å; K158-F203 HydrophobicContact CG-CE2 4.43Å; K158-F203 HydrophobicContact CG-CZ 3.73Å; I161-F203 HydrophobicContact CB-CE2 4.34Å; I161-F203 HydrophobicContact CD1-CZ 4.47Å; I161-F203 HydrophobicContact CG2-CE2 4.21Å; L162-F203 HydrophobicContact CD1-CD2 3.83Å; L162-F203 HydrophobicContact CD1-CE2 4.47Å; L162-F203 HydrophobicContact CD2-CD2 3.74Å; L162-F203 HydrophobicContact CD2-CE2 4.43Å; L162-F203 HydrophobicContact CG-CD2 3.65Å; L162-F203 HydrophobicContact CG-CE2 4.06Å; I199-F203 HydrophobicContact CG2-CD2 3.82Å; I199-F203 HydrophobicContact CG2-CE2 3.64Å; I199-F203 HydrophobicContact CG2-CG 4.4Å; I199-F203 HydrophobicContact CG2-CZ 4.06Å; I199-F203 WeakPolarHBondContact O-CG 3.45Å; I199-F203 PolarHBondContact O-N 3.03Å; L200-F203 PolarHBondContact O-N 3.42Å; F203-N205 PolarHBondContact O-N 3.37Å; F203-D206 WeakPolarHBondContact O-CB 3.45Å; F203-D206 PolarHBondContact O-N 2.96Å; F203-I212 HydrophobicContact CB-CG2 4.24Å; F203-I212 HydrophobicContact CG-CG2 4.36Å; F203-A216 HydrophobicContact CB-CB 3.73Å |
| 204 | I | 88.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -31.7 | 173.1 | -58.1 | 161.7 | 0 | 0 | 0 | 111.2 | L200 D206 R213 A216 I217 I243 I246 I247 | L200-I204 WeakPolarHBondContact O-CD1 3.42Å; L200-I204 VanDerWaalsContact O-CG1 3.23Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 3.03Å; I204-D206 VanDerWaalsContact C-N 3.35Å; I204-R213 WeakPolarHBondContact O-CG 3.36Å; I204-R213 PolarHBondContact O-NE 3.17Å; I204-A216 HydrophobicContact CG1-CB 3.77Å; I204-I217 HydrophobicContact CG1-CG1 4.2Å; I204-I217 HydrophobicContact CG2-CD1 4.38Å; I204-I217 HydrophobicContact CG2-CG1 3.87Å; I204-I243 HydrophobicContact CD1-CG2 3.83Å; I204-I246 HydrophobicContact CB-CG2 3.96Å; I204-I246 HydrophobicContact CG2-CG2 3.48Å; I204-I246 VanDerWaalsContact CG2-CG2 3.48Å; I204-I247 HydrophobicContact CD1-CG1 4.19Å |
| 205 | N | 86.1 | Confident | 86.5 | Confident | 85 Ų | 85 | 41.4 Ų | 41.4 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 3.2 | 177.3 | -73.1 | -48.3 | 0 | 0 | 0 | 113.8 | K201 Q202 F203 V207 I246 | K201-N205 PolarHBondContact O-ND2 3.48Å; Q202-N205 CarbonylContact O-C 3.55Å; Q202-N205 PolarHBondContact O-N 3.12Å; F203-N205 PolarHBondContact O-N 3.37Å; N205-V207 WeakPolarHBondContact O-CG2 3.37Å; N205-V207 PolarHBondContact O-N 2.98Å; N205-I246 WeakPolarHBondContact OD1-CG2 3.48Å |
| 206 | D | 82.6 | Confident | 86.9 | Confident | 16 Ų | 16 | 41 Ų | 41 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | trans | -73.5 | 91 | -179.4 | -170.6 | -5.5 | 0 | 0 | 0 | 111.3 | K158 Q202 F203 I204 N208 H209 R213 | K158-D206 IonicContact NZ-OD2 3.83Å; K158-D206 PolarHBondContact NZ-OD2 3.24Å; Q202-D206 PolarHBondContact O-N 2.71Å; F203-D206 WeakPolarHBondContact O-CB 3.45Å; F203-D206 PolarHBondContact O-N 2.96Å; I204-D206 VanDerWaalsContact C-N 3.35Å; D206-N208 PolarHBondContact O-N 3.38Å; D206-N208 WeakPolarHBondContact OD1-CB 3.31Å; D206-N208 PolarHBondContact OD1-N 2.98Å; D206-N208 PolarHBondContact OD1-ND2 3.37Å; D206-N208 VanDerWaalsContact OD1-ND2 3.08Å; D206-H209 PolarHBondContact O-N 3.03Å; D206-H209 IonicContact OD2-CD2 3.13Å; D206-R213 WeakPolarHBondContact O-CD 3.4Å; D206-R213 VanDerWaalsContact O-CG 3.28Å; D206-R213 WeakPolarHBondContact O-CG 3.27Å | ||
| 207 | V | 76.9 | Confident | 87.1 | Confident | 125 Ų | 125 | 41 Ų | 41 | 76% | 0.758 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.4 | -176.4 | -167.5 | 0 | 0 | 0 | 0 | 112.8 | N205 | N205-V207 WeakPolarHBondContact O-CG2 3.37Å; N205-V207 PolarHBondContact O-N 2.98Å |
| 208 | N | 76.9 | Confident | 87.4 | Confident | 105 Ų | 105 | 42 Ų | 42 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -21.7 | -173.5 | -53.8 | -62.8 | 0 | 0 | 0 | 113.8 | D206 | D206-N208 PolarHBondContact O-N 3.38Å; D206-N208 WeakPolarHBondContact OD1-CB 3.31Å; D206-N208 PolarHBondContact OD1-N 2.98Å; D206-N208 PolarHBondContact OD1-ND2 3.37Å; D206-N208 VanDerWaalsContact OD1-ND2 3.08Å |
| 209 | H | 81.7 | Confident | 87.6 | Confident | 46 Ų | 46 | 40.2 Ų | 40.2 | 21% | 0.213 | 21% | 0.205 | C | C | . | . | trans | -139.7 | 92.6 | -169 | -63.6 | -40.1 | 0 | 0 | 0 | 112.6 | D206 E211 I212 R213 | D206-H209 PolarHBondContact O-N 3.03Å; D206-H209 IonicContact OD2-CD2 3.13Å; H209-E211 VanDerWaalsContact C-N 3.32Å; H209-E211 PolarHBondContact O-N 3.35Å; H209-I212 HydrophobicContact CB-CB 3.83Å; H209-I212 HydrophobicContact CB-CG1 3.69Å; H209-I212 PolarHBondContact O-N 2.77Å; H209-R213 WeakPolarHBondContact O-CG 3.44Å; H209-R213 PolarHBondContact O-N 3.39Å | ||
| 210 | E | 86.2 | Confident | 87.8 | Confident | 86 Ų | 86 | 40.1 Ų | 40.1 | 40% | 0.402 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.9 | -42 | 177.9 | -174.6 | 170.5 | -177.2 | 0 | 0 | 113.6 | I212 R213 S214 S254 L257 | E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 2.84Å; E210-R213 WeakPolarHBondContact O-CB 3.35Å; E210-R213 PolarHBondContact O-N 2.83Å; E210-R213 VanDerWaalsContact O-N 3.1Å; E210-S214 PolarHBondContact O-N 3.08Å; E210-S254 WeakPolarHBondContact OE1-CB 3.41Å; E210-S254 PolarHBondContact OE1-OG 2.96Å; E210-L257 HydrophobicContact CG-CD1 4.28Å; E210-L257 HydrophobicContact CG-CD2 4.45Å; E210-L257 HydrophobicContact CG-CG 4.18Å |
| 211 | E | 87 | Confident | 87.7 | Confident | 94 Ų | 94 | 40.1 Ų | 40.1 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 175.6 | -66.7 | 163.9 | -146.2 | 0 | 0 | 112.6 | H89 K155 H209 L215 | H89-E211 IonicContact CE1-OE2 3.46Å; H89-E211 PolarHBondContact CE1-OE2 3.08Å; H89-E211 IonicContact CG-OE2 3.43Å; H89-E211 IonicContact ND1-OE2 3.78Å; H89-E211 PolarHBondContact ND1-OE2 3.35Å; H89-E211 IonicContact NE2-OE2 3.84Å; K155-E211 WeakPolarHBondContact CE-OE2 3.33Å; K155-E211 IonicContact NZ-OE1 2.64Å; K155-E211 PolarHBondContact NZ-OE1 2.9Å; K155-E211 IonicContact NZ-OE2 3.64Å; K155-E211 PolarHBondContact NZ-OE2 3.15Å; H209-E211 VanDerWaalsContact C-N 3.32Å; H209-E211 PolarHBondContact O-N 3.35Å; E211-L215 WeakPolarHBondContact O-CB 3.28Å; E211-L215 PolarHBondContact O-N 3.07Å |
| 212 | I | 88.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.4 | -37.2 | 177.6 | -63.1 | -61.7 | 0 | 0 | 0 | 110.3 | H89 K155 K158 L162 F203 H209 E210 A216 | H89-I212 HydrophobicContact CB-CD1 4.21Å; K155-I212 HydrophobicContact CG-CD1 4.02Å; K155-I212 HydrophobicContact CG-CG1 3.95Å; K158-I212 HydrophobicContact CB-CD1 4.02Å; K158-I212 HydrophobicContact CB-CG1 4.49Å; K158-I212 HydrophobicContact CB-CG2 4.24Å; K158-I212 HydrophobicContact CD-CG2 4.41Å; L162-I212 HydrophobicContact CD1-CG2 3.99Å; F203-I212 HydrophobicContact CB-CG2 4.24Å; F203-I212 HydrophobicContact CG-CG2 4.36Å; H209-I212 HydrophobicContact CB-CB 3.83Å; H209-I212 HydrophobicContact CB-CG1 3.69Å; H209-I212 PolarHBondContact O-N 2.77Å; E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 2.84Å; I212-A216 WeakPolarHBondContact O-CB 3.5Å; I212-A216 PolarHBondContact O-N 3.4Å |
| 213 | R | 91.2 | Very high | 87.8 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 174.8 | -62.8 | 174.4 | 70.4 | -166.5 | 0.6 | 111.2 | I204 D206 H209 E210 A216 I217 L257 | I204-R213 WeakPolarHBondContact O-CG 3.36Å; I204-R213 PolarHBondContact O-NE 3.17Å; D206-R213 WeakPolarHBondContact O-CD 3.4Å; D206-R213 VanDerWaalsContact O-CG 3.28Å; D206-R213 WeakPolarHBondContact O-CG 3.27Å; H209-R213 WeakPolarHBondContact O-CG 3.44Å; H209-R213 PolarHBondContact O-N 3.39Å; E210-R213 WeakPolarHBondContact O-CB 3.35Å; E210-R213 PolarHBondContact O-N 2.83Å; E210-R213 VanDerWaalsContact O-N 3.1Å; R213-A216 PolarHBondContact O-N 2.92Å; R213-I217 VanDerWaalsContact O-CG1 3.24Å; R213-I217 WeakPolarHBondContact O-CG1 3.37Å; R213-I217 PolarHBondContact O-N 3.34Å; R213-L257 HydrophobicContact CB-CD2 3.93Å |
| 214 | S | 91 | Very high | 87.6 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -49.9 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | E210 A216 I217 H218 T260 | E210-S214 PolarHBondContact O-N 3.08Å; S214-A216 VanDerWaalsContact C-N 3.31Å; S214-A216 PolarHBondContact O-N 2.83Å; S214-I217 PolarHBondContact O-N 2.93Å; S214-H218 PolarHBondContact O-N 3.47Å; S214-T260 VanDerWaalsContact O-CG2 3.3Å; S214-T260 WeakPolarHBondContact O-CG2 3.27Å; S214-T260 WeakPolarHBondContact OG-CG2 3.38Å; S214-T260 PolarHBondContact OG-OG1 3.07Å |
| 215 | L | 90.6 | Very high | 87.3 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 176.6 | -171.8 | 65.2 | 0 | 0 | 0 | 111.6 | L162 E211 H218 T219 | L162-L215 HydrophobicContact CB-CD2 3.63Å; L162-L215 HydrophobicContact CB-CG 3.84Å; L162-L215 HydrophobicContact CD1-CB 3.99Å; L162-L215 HydrophobicContact CD1-CD2 3.88Å; L162-L215 HydrophobicContact CD1-CG 3.93Å; L162-L215 HydrophobicContact CG-CD2 4.42Å; E211-L215 WeakPolarHBondContact O-CB 3.28Å; E211-L215 PolarHBondContact O-N 3.07Å; L215-H218 PolarHBondContact O-N 3.18Å; L215-T219 WeakPolarHBondContact O-CB 3.47Å; L215-T219 PolarHBondContact O-N 3.45Å; L215-T219 PolarHBondContact O-OG1 3.3Å |
| 216 | A | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L162 F203 I204 I212 R213 S214 S220 | L162-A216 HydrophobicContact CD1-CB 3.93Å; L162-A216 HydrophobicContact CD2-CB 3.91Å; F203-A216 HydrophobicContact CB-CB 3.73Å; I204-A216 HydrophobicContact CG1-CB 3.77Å; I212-A216 WeakPolarHBondContact O-CB 3.5Å; I212-A216 PolarHBondContact O-N 3.4Å; R213-A216 PolarHBondContact O-N 2.92Å; S214-A216 VanDerWaalsContact C-N 3.31Å; S214-A216 PolarHBondContact O-N 2.83Å; A216-S220 VanDerWaalsContact O-CB 3.29Å; A216-S220 WeakPolarHBondContact O-CB 3.19Å; A216-S220 PolarHBondContact O-N 3.17Å; A216-S220 PolarHBondContact O-OG 3.43Å |
| 217 | I | 92.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 174.5 | -68.5 | 163.4 | 0 | 0 | 0 | 109.8 | I204 R213 S214 S220 A221 I247 S250 L257 T260 A264 | I204-I217 HydrophobicContact CG1-CG1 4.2Å; I204-I217 HydrophobicContact CG2-CD1 4.38Å; I204-I217 HydrophobicContact CG2-CG1 3.87Å; R213-I217 VanDerWaalsContact O-CG1 3.24Å; R213-I217 WeakPolarHBondContact O-CG1 3.37Å; R213-I217 PolarHBondContact O-N 3.34Å; S214-I217 PolarHBondContact O-N 2.93Å; I217-S220 WeakPolarHBondContact O-CB 3.47Å; I217-S220 PolarHBondContact O-N 3.36Å; I217-A221 PolarHBondContact O-N 2.94Å; I217-A221 VanDerWaalsContact O-N 3.13Å; I217-I247 HydrophobicContact CG1-CG1 4.36Å; I217-I247 HydrophobicContact CG2-CG1 4.29Å; I217-I247 HydrophobicContact CG2-CG2 3.98Å; I217-S250 WeakPolarHBondContact CD1-OG 3.15Å; I217-L257 HydrophobicContact CD1-CD2 3.72Å; I217-T260 HydrophobicContact CB-CG2 4.05Å; I217-T260 HydrophobicContact CG2-CG2 3.95Å; I217-A264 HydrophobicContact CG2-CB 3.57Å |
| 218 | H | 92.2 | Very high | 86.8 | Confident | 73 Ų | 73 | 29.8 Ų | 29.8 | 34% | 0.338 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 177.9 | 177.9 | 67.6 | 0 | 0 | 0 | 112.1 | S214 L215 S220 A221 I222 T260 | S214-H218 PolarHBondContact O-N 3.47Å; L215-H218 PolarHBondContact O-N 3.18Å; H218-S220 VanDerWaalsContact C-N 3.27Å; H218-S220 PolarHBondContact O-N 3.44Å; H218-A221 WeakPolarHBondContact O-CB 3.41Å; H218-A221 PolarHBondContact O-N 3.24Å; H218-A221 VanDerWaalsContact O-N 3.13Å; H218-I222 VanDerWaalsContact NE2-CD1 3.28Å; H218-I222 WeakPolarHBondContact NE2-CD1 3.3Å; H218-I222 PolarHBondContact O-N 2.95Å; H218-T260 HydrophobicContact CB-CG2 4.28Å |
| 219 | T | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.1 | -39.9 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | L162 L165 S166 L200 L215 A221 I222 W223 | L162-T219 HydrophobicContact CD2-CG2 4.22Å; L162-T219 PolarHBondContact O-OG1 3.18Å; L165-T219 HydrophobicContact CB-CG2 3.56Å; L165-T219 HydrophobicContact CD1-CG2 4.47Å; S166-T219 WeakPolarHBondContact OG-CB 3.41Å; S166-T219 WeakPolarHBondContact OG-CG2 3.48Å; S166-T219 PolarHBondContact OG-OG1 2.94Å; L200-T219 HydrophobicContact CD2-CG2 3.97Å; L215-T219 WeakPolarHBondContact O-CB 3.47Å; L215-T219 PolarHBondContact O-N 3.45Å; L215-T219 PolarHBondContact O-OG1 3.3Å; T219-A221 VanDerWaalsContact C-N 3.31Å; T219-A221 PolarHBondContact O-N 3.38Å; T219-I222 PolarHBondContact O-N 3.49Å; T219-W223 VanDerWaalsContact O-CB 3.23Å; T219-W223 WeakPolarHBondContact O-CB 3.49Å; T219-W223 PolarHBondContact O-N 3.45Å |
| 220 | S | 91.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 178 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | A216 I217 H218 W223 M224 | A216-S220 VanDerWaalsContact O-CB 3.29Å; A216-S220 WeakPolarHBondContact O-CB 3.19Å; A216-S220 PolarHBondContact O-N 3.17Å; A216-S220 PolarHBondContact O-OG 3.43Å; I217-S220 WeakPolarHBondContact O-CB 3.47Å; I217-S220 PolarHBondContact O-N 3.36Å; H218-S220 VanDerWaalsContact C-N 3.27Å; H218-S220 PolarHBondContact O-N 3.44Å; S220-W223 PolarHBondContact O-N 3.25Å; S220-M224 WeakPolarHBondContact O-CB 3.38Å; S220-M224 WeakPolarHBondContact O-CE 3.3Å; S220-M224 VanDerWaalsContact O-CG 3.28Å; S220-M224 WeakPolarHBondContact O-CG 3.25Å; S220-M224 PolarHBondContact O-N 3.01Å |
| 221 | A | 88.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -48.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I217 H218 T219 W223 M224 S225 A264 N267 I268 | I217-A221 PolarHBondContact O-N 2.94Å; I217-A221 VanDerWaalsContact O-N 3.13Å; H218-A221 WeakPolarHBondContact O-CB 3.41Å; H218-A221 PolarHBondContact O-N 3.24Å; H218-A221 VanDerWaalsContact O-N 3.13Å; T219-A221 VanDerWaalsContact C-N 3.31Å; T219-A221 PolarHBondContact O-N 3.38Å; A221-W223 VanDerWaalsContact C-N 3.3Å; A221-W223 PolarHBondContact O-N 3.33Å; A221-M224 PolarHBondContact O-N 2.97Å; A221-S225 WeakPolarHBondContact O-CB 3.39Å; A221-S225 PolarHBondContact O-N 2.95Å; A221-S225 PolarHBondContact O-OG 2.92Å; A221-A264 VanDerWaalsContact CB-CA 3.48Å; A221-A264 HydrophobicContact CB-CB 3.59Å; A221-N267 HydrophobicContact CB-CB 4.17Å; A221-I268 HydrophobicContact CB-CG1 4.34Å |
| 222 | I | 88.4 | Confident | 80.2 | Confident | 16 Ų | 16 | 29.2 Ų | 29.2 | 8% | 0.082 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 178.3 | -56.5 | 175.2 | 0 | 0 | 0 | 110.7 | S169 E170 H218 T219 S225 N226 | S169-I222 VanDerWaalsContact CB-CG2 3.48Å; E170-I222 HydrophobicContact CG-CG2 4.28Å; H218-I222 VanDerWaalsContact NE2-CD1 3.28Å; H218-I222 WeakPolarHBondContact NE2-CD1 3.3Å; H218-I222 PolarHBondContact O-N 2.95Å; T219-I222 PolarHBondContact O-N 3.49Å; I222-S225 PolarHBondContact O-OG 3.04Å; I222-N226 PolarHBondContact O-N 3.48Å; I222-N226 PolarHBondContact O-ND2 3Å |
| 223 | W | 88.7 | Confident | 78 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -50.9 | 175 | -176.1 | -88.8 | 0 | 0 | 0 | 111.7 | L117 L165 I168 I189 V196 L200 T219 S220 A221 S225 N226 F227 Y240 | L117-W223 HydrophobicContact CD1-CH2 3.73Å; L117-W223 HydrophobicContact CD1-CZ3 4.18Å; L165-W223 HydrophobicContact CD2-CE3 4.32Å; L165-W223 HydrophobicContact CD2-CH2 4.38Å; L165-W223 HydrophobicContact CD2-CZ3 3.8Å; I168-W223 HydrophobicContact CG2-CZ3 3.99Å; I189-W223 HydrophobicContact CG2-CH2 3.49Å; I189-W223 VanDerWaalsContact CG2-CH2 3.49Å; I189-W223 HydrophobicContact CG2-CZ2 3.72Å; I189-W223 HydrophobicContact CG2-CZ3 4.45Å; V196-W223 HydrophobicContact CB-CH2 4.19Å; V196-W223 HydrophobicContact CB-CZ2 3.91Å; V196-W223 HydrophobicContact CG1-CD2 3.9Å; V196-W223 HydrophobicContact CG1-CE3 4.14Å; V196-W223 HydrophobicContact CG1-CH2 3.89Å; V196-W223 HydrophobicContact CG1-CZ2 3.65Å; V196-W223 HydrophobicContact CG1-CZ3 4.13Å; V196-W223 HydrophobicContact CG2-CH2 3.77Å; V196-W223 HydrophobicContact CG2-CZ2 3.96Å; V196-W223 HydrophobicContact CG2-CZ3 4.46Å; L200-W223 HydrophobicContact CD1-CG 4.4Å; T219-W223 VanDerWaalsContact O-CB 3.23Å; T219-W223 WeakPolarHBondContact O-CB 3.49Å; T219-W223 PolarHBondContact O-N 3.45Å; S220-W223 PolarHBondContact O-N 3.25Å; A221-W223 VanDerWaalsContact C-N 3.3Å; A221-W223 PolarHBondContact O-N 3.33Å; W223-S225 PolarHBondContact O-N 2.95Å; W223-N226 PolarHBondContact O-N 2.81Å; W223-F227 AromaticContact CD2-CD2 3.85Å; W223-F227 HydrophobicContact CD2-CD2 3.85Å; W223-F227 AromaticContact CE3-CD2 3.77Å; W223-F227 HydrophobicContact CE3-CD2 3.77Å; W223-F227 AromaticContact CE3-CE2 3.99Å; W223-F227 HydrophobicContact CE3-CE2 3.99Å; W223-F227 HydrophobicContact CG-CD2 4.46Å; W223-F227 HydrophobicContact CH2-CD2 4.22Å; W223-F227 HydrophobicContact CH2-CE2 4.44Å; W223-F227 HydrophobicContact CZ2-CD2 4.27Å; W223-F227 AromaticContact CZ3-CD2 3.97Å; W223-F227 HydrophobicContact CZ3-CD2 3.97Å; W223-F227 AromaticContact CZ3-CE2 3.95Å; W223-F227 HydrophobicContact CZ3-CE2 3.95Å; W223-F227 PolarHBondContact O-N 3.36Å; W223-Y240 AromaticContact CD1-CE1 3.84Å; W223-Y240 AromaticContact NE1-CZ 3.79Å; W223-Y240 PolarHBondContact NE1-OH 3.44Å |
| 224 | M | 85.8 | Confident | 76 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -43 | -179.7 | -73.2 | -177 | -74.9 | 0 | 0 | 111.9 | S220 A221 N226 V228 Y240 I243 V244 I247 I268 V274 | S220-M224 WeakPolarHBondContact O-CB 3.38Å; S220-M224 WeakPolarHBondContact O-CE 3.3Å; S220-M224 VanDerWaalsContact O-CG 3.28Å; S220-M224 WeakPolarHBondContact O-CG 3.25Å; S220-M224 PolarHBondContact O-N 3.01Å; A221-M224 PolarHBondContact O-N 2.97Å; M224-N226 PolarHBondContact O-N 3.05Å; M224-V228 HydrophobicContact CB-CG2 4.22Å; M224-V228 HydrophobicContact CG-CG2 4.08Å; M224-V228 WeakPolarHBondContact O-CB 3.41Å; M224-V228 PolarHBondContact O-N 3.35Å; M224-Y240 HydrophobicContact CG-CD1 3.68Å; M224-Y240 HydrophobicContact CG-CE1 4.18Å; M224-Y240 HydrophobicContact CG-CG 4.23Å; M224-Y240 HydrophobicContact SD-CD1 3.86Å; M224-Y240 HydrophobicContact SD-CG 4.24Å; M224-I243 HydrophobicContact CE-CG2 4.27Å; M224-V244 HydrophobicContact CE-CG2 4.29Å; M224-V244 HydrophobicContact SD-CG2 3.99Å; M224-I247 HydrophobicContact CE-CD1 4.01Å; M224-I268 HydrophobicContact CE-CD1 3.39Å; M224-I268 HydrophobicContact CE-CG1 3.93Å; M224-I268 HydrophobicContact SD-CD1 4.4Å; M224-V274 HydrophobicContact SD-CG2 3.9Å |
| 225 | S | 82.1 | Confident | 74.3 | Confident | 34 Ų | 34 | 42 Ų | 42 | 24% | 0.238 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -30.5 | -178.8 | 68.3 | 0 | 0 | 0 | 0 | 113.7 | A221 I222 W223 S271 | A221-S225 WeakPolarHBondContact O-CB 3.39Å; A221-S225 PolarHBondContact O-N 2.95Å; A221-S225 PolarHBondContact O-OG 2.92Å; I222-S225 PolarHBondContact O-OG 3.04Å; W223-S225 PolarHBondContact O-N 2.95Å; S225-S271 WeakPolarHBondContact CA-OG 3.32Å; S225-S271 VanDerWaalsContact CB-OG 3.29Å; S225-S271 WeakPolarHBondContact CB-OG 3.23Å |
| 226 | N | 81.8 | Confident | 72.7 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -102.8 | -32.7 | -170.7 | -64.5 | -12.7 | 0 | 0 | 0 | 113.5 | S169 T173 I222 W223 M224 | S169-N226 PolarHBondContact O-ND2 3.42Å; T173-N226 HydrophobicContact CG2-CB 4.4Å; T173-N226 WeakPolarHBondContact CG2-ND2 3.36Å; I222-N226 PolarHBondContact O-N 3.48Å; I222-N226 PolarHBondContact O-ND2 3Å; W223-N226 PolarHBondContact O-N 2.81Å; M224-N226 PolarHBondContact O-N 3.05Å |
| 227 | F | 79.1 | Confident | 71.1 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -113.2 | -23 | -171.9 | -63.3 | -55.2 | 0 | 0 | 0 | 115.1 | I168 S169 F172 K186 I189 W223 L229 | I168-F227 HydrophobicContact CG2-CE2 4.5Å; S169-F227 WeakPolarHBondContact OG-CE2 3.47Å; F172-F227 HydrophobicContact CB-CE1 4.05Å; F172-F227 HydrophobicContact CB-CZ 3.83Å; F172-F227 HydrophobicContact CD1-CD1 4.45Å; F172-F227 AromaticContact CD1-CE1 3.7Å; F172-F227 HydrophobicContact CD1-CE1 3.7Å; F172-F227 HydrophobicContact CD1-CZ 4.28Å; F172-F227 AromaticContact CD2-CE1 3.92Å; F172-F227 HydrophobicContact CD2-CE1 3.92Å; F172-F227 HydrophobicContact CD2-CZ 4.42Å; F172-F227 HydrophobicContact CE1-CE1 4.13Å; F172-F227 HydrophobicContact CE2-CE1 4.31Å; F172-F227 AromaticContact CG-CE1 3.6Å; F172-F227 HydrophobicContact CG-CE1 3.6Å; F172-F227 AromaticContact CG-CZ 3.93Å; F172-F227 HydrophobicContact CG-CZ 3.93Å; F172-F227 HydrophobicContact CZ-CE1 4.42Å; K186-F227 HydrophobicContact CG-CD1 4.47Å; I189-F227 HydrophobicContact CD1-CD1 4.17Å; I189-F227 HydrophobicContact CD1-CE1 3.42Å; I189-F227 VanDerWaalsContact CD1-CE1 3.42Å; I189-F227 HydrophobicContact CD1-CE2 4.13Å; I189-F227 HydrophobicContact CD1-CZ 3.4Å; I189-F227 VanDerWaalsContact CD1-CZ 3.4Å; I189-F227 HydrophobicContact CG2-CD1 4.39Å; I189-F227 HydrophobicContact CG2-CD2 4.4Å; I189-F227 HydrophobicContact CG2-CG 4.31Å; W223-F227 AromaticContact CD2-CD2 3.85Å; W223-F227 HydrophobicContact CD2-CD2 3.85Å; W223-F227 AromaticContact CE3-CD2 3.77Å; W223-F227 HydrophobicContact CE3-CD2 3.77Å; W223-F227 AromaticContact CE3-CE2 3.99Å; W223-F227 HydrophobicContact CE3-CE2 3.99Å; W223-F227 HydrophobicContact CG-CD2 4.46Å; W223-F227 HydrophobicContact CH2-CD2 4.22Å; W223-F227 HydrophobicContact CH2-CE2 4.44Å; W223-F227 HydrophobicContact CZ2-CD2 4.27Å; W223-F227 AromaticContact CZ3-CD2 3.97Å; W223-F227 HydrophobicContact CZ3-CD2 3.97Å; W223-F227 AromaticContact CZ3-CE2 3.95Å; W223-F227 HydrophobicContact CZ3-CE2 3.95Å; W223-F227 PolarHBondContact O-N 3.36Å; F227-L229 PolarHBondContact O-N 3.09Å |
| 228 | V | 73.9 | Confident | 69.9 | Low | 14 Ų | 14 | 44.7 Ų | 44.7 | 9% | 0.085 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -78.7 | 106.7 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | M224 N230 Y240 | M224-V228 HydrophobicContact CB-CG2 4.22Å; M224-V228 HydrophobicContact CG-CG2 4.08Å; M224-V228 WeakPolarHBondContact O-CB 3.41Å; M224-V228 PolarHBondContact O-N 3.35Å; V228-N230 PolarHBondContact O-N 3.42Å; V228-Y240 HydrophobicContact CG1-CD2 4.48Å; V228-Y240 HydrophobicContact CG2-CD1 4.36Å; V228-Y240 HydrophobicContact CG2-CD2 3.64Å; V228-Y240 HydrophobicContact CG2-CE1 4.3Å; V228-Y240 HydrophobicContact CG2-CE2 3.56Å; V228-Y240 HydrophobicContact CG2-CG 4.06Å |
| 229 | L | 57.2 | Low | 69 | Low | 79 Ų | 79 | 42.7 Ų | 42.7 | 41% | 0.414 | 24% | 0.243 | S | C | . | . | trans | -69.3 | 124.6 | -176.8 | -80.3 | 156.8 | 0 | 0 | 0 | 111.5 | F227 N231 | F227-L229 PolarHBondContact O-N 3.09Å; L229-N231 PolarHBondContact O-N 2.79Å | ||
| 230 | N | 51.8 | Low | 68.5 | Low | 79 Ų | 79 | 42.7 Ų | 42.7 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | trans | -64.3 | 6.8 | 169.8 | -69.2 | -19.4 | 0 | 0 | 0 | 114.5 | V228 C232 S271 D272 | V228-N230 PolarHBondContact O-N 3.42Å; N230-C232 PolarHBondContact O-N 3.07Å; N230-S271 PolarHBondContact ND2-O 3.2Å; N230-D272 PolarHBondContact OD1-O 3.28Å | ||
| 231 | N | 45.8 | Very low | 68.1 | Low | 113 Ų | 113 | 44.3 Ų | 44.3 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | trans | -70.4 | 110.2 | 178.3 | -79.4 | -7.7 | 0 | 0 | 0 | 109.7 | L229 H233 S234 | L229-N231 PolarHBondContact O-N 2.79Å; N231-H233 PolarHBondContact O-N 3.07Å; N231-S234 PolarHBondContact O-N 2.87Å; N231-S234 VanDerWaalsContact O-N 3.15Å; N231-S234 PolarHBondContact O-OG 3.22Å | ||
| 232 | C | 38.9 | Very low | 67.9 | Low | 47 Ų | 47 | 48.4 Ų | 48.4 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -14 | -173.1 | -52 | 0 | 0 | 0 | 0 | 115.8 | N230 K282 | N230-C232 PolarHBondContact O-N 3.07Å; C232-K282 WeakPolarHBondContact O-CE 3.27Å; C232-K282 PolarHBondContact O-NZ 3.24Å; C232-K282 VanDerWaalsContact O-NZ 3.11Å |
| 233 | H | 42.3 | Very low | 68 | Low | 185 Ų | 185 | 47.7 Ų | 47.7 | 86% | 0.856 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -1.7 | -174.4 | -57.3 | -49 | 0 | 0 | 0 | 115.6 | N231 | N231-H233 PolarHBondContact O-N 3.07Š|
| 234 | S | 49.3 | Very low | 68 | Low | 41 Ų | 41 | 47.6 Ų | 47.6 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | trans | -100.7 | 136.6 | -179 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | N231 S236 | N231-S234 PolarHBondContact O-N 2.87Å; N231-S234 VanDerWaalsContact O-N 3.15Å; N231-S234 PolarHBondContact O-OG 3.22Å; S234-S236 PolarHBondContact O-N 2.88Å; S234-S236 PolarHBondContact OG-OG 3.47Å | ||
| 235 | S | 55.3 | Low | 68.2 | Low | 101 Ų | 101 | 50.7 Ų | 50.7 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 8 | 174.6 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 236 | S | 56.9 | Low | 68.7 | Low | 16 Ų | 16 | 50 Ų | 50 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.1 | -43.4 | -174.7 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | S234 D238 S239 Y240 | S234-S236 PolarHBondContact O-N 2.88Å; S234-S236 PolarHBondContact OG-OG 3.47Å; S236-D238 PolarHBondContact O-N 3.39Å; S236-S239 WeakPolarHBondContact O-CB 3.27Å; S236-S239 PolarHBondContact O-N 2.63Å; S236-S239 PolarHBondContact O-OG 3.4Å; S236-Y240 WeakPolarHBondContact O-CD2 3.44Å |
| 237 | A | 59.5 | Low | 69.2 | Low | 12 Ų | 12 | 48.3 Ų | 48.3 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | S239 Y240 | A237-S239 PolarHBondContact O-N 3.01Å; A237-Y240 PolarHBondContact O-N 3.29Å; A237-Y240 VanDerWaalsContact O-N 3.12Å |
| 238 | D | 67.1 | Low | 69.8 | Low | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -29.8 | 177.5 | -59 | -17.7 | 0 | 0 | 0 | 111.6 | S236 Y240 L241 | S236-D238 PolarHBondContact O-N 3.39Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 3.26Å; D238-L241 WeakPolarHBondContact O-CB 3.4Å; D238-L241 PolarHBondContact O-N 2.89Å |
| 239 | S | 72.1 | Confident | 70.7 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.3 | -22.2 | -178.9 | 83.9 | 0 | 0 | 0 | 0 | 113.9 | R197 S236 A237 | R197-S239 VanDerWaalsContact CD-O 3.31Å; R197-S239 WeakPolarHBondContact CD-O 3.46Å; R197-S239 PolarHBondContact NH1-OG 2.88Å; S236-S239 WeakPolarHBondContact O-CB 3.27Å; S236-S239 PolarHBondContact O-N 2.63Å; S236-S239 PolarHBondContact O-OG 3.4Å; A237-S239 PolarHBondContact O-N 3.01Å |
| 240 | Y | 82.3 | Confident | 72.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -93.1 | -8.6 | 176.9 | -78.2 | -92 | 0 | 0 | 0 | 113.4 | E193 R197 W223 M224 V228 S236 A237 D238 D242 I243 V244 | E193-Y240 HydrophobicContact CG-CE2 4.28Å; E193-Y240 WeakPolarHBondContact CG-OH 3.37Å; E193-Y240 VanDerWaalsContact OE1-CE2 3.3Å; E193-Y240 WeakPolarHBondContact OE1-CE2 3.38Å; R197-Y240 HydrophobicContact CG-CE1 4.42Å; W223-Y240 AromaticContact CD1-CE1 3.84Å; W223-Y240 AromaticContact NE1-CZ 3.79Å; W223-Y240 PolarHBondContact NE1-OH 3.44Å; M224-Y240 HydrophobicContact CG-CD1 3.68Å; M224-Y240 HydrophobicContact CG-CE1 4.18Å; M224-Y240 HydrophobicContact CG-CG 4.23Å; M224-Y240 HydrophobicContact SD-CD1 3.86Å; M224-Y240 HydrophobicContact SD-CG 4.24Å; V228-Y240 HydrophobicContact CG1-CD2 4.48Å; V228-Y240 HydrophobicContact CG2-CD1 4.36Å; V228-Y240 HydrophobicContact CG2-CD2 3.64Å; V228-Y240 HydrophobicContact CG2-CE1 4.3Å; V228-Y240 HydrophobicContact CG2-CE2 3.56Å; V228-Y240 HydrophobicContact CG2-CG 4.06Å; S236-Y240 WeakPolarHBondContact O-CD2 3.44Å; A237-Y240 PolarHBondContact O-N 3.29Å; A237-Y240 VanDerWaalsContact O-N 3.12Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 3.26Å; Y240-D242 PolarHBondContact O-N 3.17Å; Y240-I243 HydrophobicContact CD1-CD1 3.9Å; Y240-I243 HydrophobicContact CE1-CD1 4.17Å; Y240-I243 WeakPolarHBondContact O-CB 3.44Å; Y240-I243 PolarHBondContact O-N 3.29Å; Y240-V244 PolarHBondContact O-N 3.4Å; Y240-V244 VanDerWaalsContact O-N 3.08Å |
| 241 | L | 83 | Confident | 74.1 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -36.4 | 178.4 | -162.2 | 69.3 | 0 | 0 | 0 | 112 | D238 I243 V244 H245 V274 L285 F288 | D238-L241 WeakPolarHBondContact O-CB 3.4Å; D238-L241 PolarHBondContact O-N 2.89Å; L241-I243 VanDerWaalsContact C-N 3.31Å; L241-I243 PolarHBondContact O-N 3.08Å; L241-V244 PolarHBondContact O-N 2.93Å; L241-H245 WeakPolarHBondContact O-CB 3.45Å; L241-H245 PolarHBondContact O-N 3.41Å; L241-V274 HydrophobicContact CD1-CG1 4.13Å; L241-L285 HydrophobicContact CD1-CD2 3.96Å; L241-L285 HydrophobicContact CD2-CD2 4.23Å; L241-F288 HydrophobicContact CD1-CD1 3.42Å; L241-F288 VanDerWaalsContact CD1-CD1 3.42Å; L241-F288 HydrophobicContact CD1-CE1 3.47Å; L241-F288 VanDerWaalsContact CD1-CE1 3.47Å; L241-F288 HydrophobicContact CD1-CG 4.02Å; L241-F288 HydrophobicContact CD1-CZ 4.1Å; L241-F288 HydrophobicContact CD2-CD2 4.49Å; L241-F288 HydrophobicContact CD2-CG 4.45Å; L241-F288 HydrophobicContact CG-CD1 4.21Å; L241-F288 HydrophobicContact CG-CE1 4.05Å; L241-F288 HydrophobicContact CG-CE2 4.44Å; L241-F288 HydrophobicContact CG-CG 4.47Å; L241-F288 HydrophobicContact CG-CZ 4.17Å |
| 242 | D | 85.7 | Confident | 76.2 | Confident | 87 Ų | 87 | 43 Ų | 43 | 47% | 0.465 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -54.8 | -44.5 | 171.8 | -86.9 | 17.1 | 0 | 0 | 0 | 112.5 | K201 Y240 I246 | K201-D242 IonicContact NZ-OD2 3.75Å; K201-D242 PolarHBondContact NZ-OD2 2.84Å; Y240-D242 PolarHBondContact O-N 3.17Å; D242-I246 VanDerWaalsContact O-CD1 3.31Å; D242-I246 WeakPolarHBondContact O-CD1 3.48Å; D242-I246 WeakPolarHBondContact O-CG1 3.44Å; D242-I246 PolarHBondContact O-N 2.6Å; D242-I246 VanDerWaalsContact O-N 3.07Å |
| 243 | I | 89.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.1 | -45.4 | 179.8 | -70 | 179.7 | 0 | 0 | 0 | 109.6 | R197 L200 K201 I204 M224 Y240 L241 H245 I246 I247 | R197-I243 HydrophobicContact CB-CD1 4.44Å; R197-I243 HydrophobicContact CG-CD1 3.61Å; R197-I243 HydrophobicContact CG-CG1 4.4Å; L200-I243 HydrophobicContact CB-CD1 4.06Å; L200-I243 HydrophobicContact CD1-CD1 4.48Å; K201-I243 HydrophobicContact CB-CG1 4.48Å; I204-I243 HydrophobicContact CD1-CG2 3.83Å; M224-I243 HydrophobicContact CE-CG2 4.27Å; Y240-I243 HydrophobicContact CD1-CD1 3.9Å; Y240-I243 HydrophobicContact CE1-CD1 4.17Å; Y240-I243 WeakPolarHBondContact O-CB 3.44Å; Y240-I243 PolarHBondContact O-N 3.29Å; L241-I243 VanDerWaalsContact C-N 3.31Å; L241-I243 PolarHBondContact O-N 3.08Å; I243-H245 VanDerWaalsContact C-N 3.3Å; I243-H245 PolarHBondContact O-N 3.39Å; I243-I246 CarbonylContact O-C 3.45Å; I243-I246 WeakPolarHBondContact O-CB 3.24Å; I243-I246 PolarHBondContact O-N 2.83Å; I243-I246 VanDerWaalsContact O-N 3.09Å; I243-I247 HydrophobicContact CG2-CD1 3.97Å; I243-I247 HydrophobicContact CG2-CG1 4.38Å; I243-I247 WeakPolarHBondContact O-CG1 3.43Å; I243-I247 PolarHBondContact O-N 3.08Å |
| 244 | V | 89 | Confident | 80.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | M224 Y240 L241 I246 I247 Y248 L265 I268 V274 F288 | M224-V244 HydrophobicContact CE-CG2 4.29Å; M224-V244 HydrophobicContact SD-CG2 3.99Å; Y240-V244 PolarHBondContact O-N 3.4Å; Y240-V244 VanDerWaalsContact O-N 3.08Å; L241-V244 PolarHBondContact O-N 2.93Å; V244-I246 VanDerWaalsContact C-N 3.32Å; V244-I246 PolarHBondContact O-N 3.27Å; V244-I247 WeakPolarHBondContact O-CB 3.17Å; V244-I247 PolarHBondContact O-N 2.95Å; V244-Y248 HydrophobicContact CG1-CD2 3.88Å; V244-Y248 HydrophobicContact CG1-CE2 3.61Å; V244-Y248 VanDerWaalsContact O-CD2 3.3Å; V244-Y248 WeakPolarHBondContact O-CD2 3.45Å; V244-Y248 PolarHBondContact O-N 3.47Å; V244-L265 HydrophobicContact CG1-CD2 4.33Å; V244-I268 HydrophobicContact CG2-CD1 4.45Å; V244-V274 HydrophobicContact CG2-CB 4.38Å; V244-V274 HydrophobicContact CG2-CG1 3.99Å; V244-V274 HydrophobicContact CG2-CG2 4.09Å; V244-F288 HydrophobicContact CG1-CE1 4.09Å |
| 245 | H | 90.9 | Very high | 82.4 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 174.5 | -172.2 | 55.8 | 0 | 0 | 0 | 112.2 | L241 I243 I247 Y248 N249 F288 E292 | L241-H245 WeakPolarHBondContact O-CB 3.45Å; L241-H245 PolarHBondContact O-N 3.41Å; I243-H245 VanDerWaalsContact C-N 3.3Å; I243-H245 PolarHBondContact O-N 3.39Å; H245-I247 VanDerWaalsContact C-N 3.34Å; H245-Y248 PolarHBondContact O-N 3.32Å; H245-N249 PolarHBondContact CD2-ND2 3.09Å; H245-N249 VanDerWaalsContact CD2-ND2 3.33Å; H245-N249 PolarHBondContact CE1-ND2 3.13Å; H245-N249 PolarHBondContact NE2-ND2 3.27Å; H245-N249 WeakPolarHBondContact O-CB 3.21Å; H245-N249 PolarHBondContact O-N 3.13Å; H245-N249 PolarHBondContact O-ND2 2.84Å; H245-F288 HydrophobicContact CB-CE2 4.2Å; H245-F288 HydrophobicContact CB-CZ 3.76Å; H245-F288 AromaticContact ND1-CE2 3.84Å; H245-F288 AromaticContact ND1-CZ 3.98Å; H245-E292 IonicContact CE1-OE1 2.64Å; H245-E292 PolarHBondContact CE1-OE1 3.23Å; H245-E292 IonicContact CE1-OE2 3.18Å; H245-E292 IonicContact ND1-OE1 2.9Å; H245-E292 PolarHBondContact ND1-OE1 2.85Å; H245-E292 IonicContact ND1-OE2 2.65Å |
| 246 | I | 90.9 | Very high | 84 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.2 | -66.5 | 162.3 | 0 | 0 | 0 | 110.8 | K201 I204 N205 D242 I243 V244 N249 S250 | K201-I246 HydrophobicContact CD-CD1 4.14Å; K201-I246 HydrophobicContact CG-CD1 3.61Å; I204-I246 HydrophobicContact CB-CG2 3.96Å; I204-I246 HydrophobicContact CG2-CG2 3.48Å; I204-I246 VanDerWaalsContact CG2-CG2 3.48Å; N205-I246 WeakPolarHBondContact OD1-CG2 3.48Å; D242-I246 VanDerWaalsContact O-CD1 3.31Å; D242-I246 WeakPolarHBondContact O-CD1 3.48Å; D242-I246 WeakPolarHBondContact O-CG1 3.44Å; D242-I246 PolarHBondContact O-N 2.6Å; D242-I246 VanDerWaalsContact O-N 3.07Å; I243-I246 CarbonylContact O-C 3.45Å; I243-I246 WeakPolarHBondContact O-CB 3.24Å; I243-I246 PolarHBondContact O-N 2.83Å; I243-I246 VanDerWaalsContact O-N 3.09Å; V244-I246 VanDerWaalsContact C-N 3.32Å; V244-I246 PolarHBondContact O-N 3.27Å; I246-N249 PolarHBondContact O-N 2.77Å; I246-S250 VanDerWaalsContact O-CB 3.3Å; I246-S250 WeakPolarHBondContact O-CB 3.39Å; I246-S250 PolarHBondContact O-N 2.85Å |
| 247 | I | 92.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -52.3 | 174.1 | -67.4 | 168.5 | 0 | 0 | 0 | 109.7 | I204 I217 M224 I243 V244 H245 N249 S250 M251 | I204-I247 HydrophobicContact CD1-CG1 4.19Å; I217-I247 HydrophobicContact CG1-CG1 4.36Å; I217-I247 HydrophobicContact CG2-CG1 4.29Å; I217-I247 HydrophobicContact CG2-CG2 3.98Å; M224-I247 HydrophobicContact CE-CD1 4.01Å; I243-I247 HydrophobicContact CG2-CD1 3.97Å; I243-I247 HydrophobicContact CG2-CG1 4.38Å; I243-I247 WeakPolarHBondContact O-CG1 3.43Å; I243-I247 PolarHBondContact O-N 3.08Å; V244-I247 WeakPolarHBondContact O-CB 3.17Å; V244-I247 PolarHBondContact O-N 2.95Å; H245-I247 VanDerWaalsContact C-N 3.34Å; I247-N249 VanDerWaalsContact C-N 3.34Å; I247-N249 PolarHBondContact O-N 3.47Å; I247-S250 WeakPolarHBondContact O-CB 3.37Å; I247-S250 PolarHBondContact O-N 3.39Å; I247-S250 PolarHBondContact O-OG 3.21Å; I247-M251 WeakPolarHBondContact O-CG 3.34Å; I247-M251 PolarHBondContact O-N 3.13Å |
| 248 | Y | 92.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.3 | -49.1 | 175.2 | -76.8 | -59.5 | 0 | 0 | 0 | 112 | V244 H245 S250 M251 L265 F288 H289 E292 L293 F296 | V244-Y248 HydrophobicContact CG1-CD2 3.88Å; V244-Y248 HydrophobicContact CG1-CE2 3.61Å; V244-Y248 VanDerWaalsContact O-CD2 3.3Å; V244-Y248 WeakPolarHBondContact O-CD2 3.45Å; V244-Y248 PolarHBondContact O-N 3.47Å; H245-Y248 PolarHBondContact O-N 3.32Å; Y248-S250 PolarHBondContact O-N 3.49Å; Y248-M251 HydrophobicContact CD1-SD 4.26Å; Y248-M251 PolarHBondContact O-N 3.32Å; Y248-L265 HydrophobicContact CD1-CD1 3.79Å; Y248-L265 HydrophobicContact CD1-CD2 4.43Å; Y248-L265 HydrophobicContact CE1-CD1 3.31Å; Y248-L265 HydrophobicContact CE1-CD2 3.83Å; Y248-L265 HydrophobicContact CE1-CG 4.23Å; Y248-L265 HydrophobicContact CE2-CD2 4.19Å; Y248-F288 HydrophobicContact CD2-CE1 4.36Å; Y248-F288 HydrophobicContact CD2-CZ 4.42Å; Y248-F288 HydrophobicContact CE2-CE1 4.08Å; Y248-H289 AromaticContact CE2-ND1 3.88Å; Y248-H289 AromaticContact CZ-ND1 3.93Å; Y248-H289 PolarHBondContact OH-ND1 2.92Å; Y248-H289 VanDerWaalsContact OH-ND1 3.1Å; Y248-E292 HydrophobicContact CD1-CB 3.99Å; Y248-E292 HydrophobicContact CD2-CB 3.42Å; Y248-E292 VanDerWaalsContact CD2-CB 3.42Å; Y248-E292 HydrophobicContact CD2-CG 3.64Å; Y248-E292 HydrophobicContact CE1-CB 4.01Å; Y248-E292 HydrophobicContact CE2-CB 3.43Å; Y248-E292 VanDerWaalsContact CE2-CB 3.43Å; Y248-E292 HydrophobicContact CE2-CG 3.88Å; Y248-E292 HydrophobicContact CG-CB 3.69Å; Y248-E292 HydrophobicContact CG-CG 4.2Å; Y248-L293 HydrophobicContact CE1-CD2 3.88Å; Y248-L293 HydrophobicContact CE1-CG 4.18Å; Y248-F296 AromaticContact CD1-CE2 3.74Å; Y248-F296 HydrophobicContact CD1-CE2 3.74Å; Y248-F296 HydrophobicContact CD1-CZ 4.46Å; Y248-F296 HydrophobicContact CE1-CE2 4.44Å; Y248-F296 WeakPolarHBondContact O-CZ 3.13Å |
| 249 | N | 91.7 | Very high | 88.3 | Confident | 52 Ų | 52 | 41.7 Ų | 41.7 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -25.4 | 177.9 | -71.5 | -31.3 | 0 | 0 | 0 | 113.3 | H245 I246 I247 Q252 Y253 | H245-N249 PolarHBondContact CD2-ND2 3.09Å; H245-N249 VanDerWaalsContact CD2-ND2 3.33Å; H245-N249 PolarHBondContact CE1-ND2 3.13Å; H245-N249 PolarHBondContact NE2-ND2 3.27Å; H245-N249 WeakPolarHBondContact O-CB 3.21Å; H245-N249 PolarHBondContact O-N 3.13Å; H245-N249 PolarHBondContact O-ND2 2.84Å; I246-N249 PolarHBondContact O-N 2.77Å; I247-N249 VanDerWaalsContact C-N 3.34Å; I247-N249 PolarHBondContact O-N 3.47Å; N249-Q252 WeakPolarHBondContact O-CG 3.39Å; N249-Q252 PolarHBondContact O-NE2 2.9Å; N249-Y253 WeakPolarHBondContact O-CE2 3.29Å |
| 250 | S | 90.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -76.8 | -27.1 | 180 | 75.3 | 0 | 0 | 0 | 0 | 113.3 | I217 I246 I247 Y248 Q252 Y253 | I217-S250 WeakPolarHBondContact CD1-OG 3.15Å; I246-S250 VanDerWaalsContact O-CB 3.3Å; I246-S250 WeakPolarHBondContact O-CB 3.39Å; I246-S250 PolarHBondContact O-N 2.85Å; I247-S250 WeakPolarHBondContact O-CB 3.37Å; I247-S250 PolarHBondContact O-N 3.39Å; I247-S250 PolarHBondContact O-OG 3.21Å; Y248-S250 PolarHBondContact O-N 3.49Å; S250-Q252 PolarHBondContact O-N 3.48Å; S250-Y253 VanDerWaalsContact O-CD2 3.27Å; S250-Y253 WeakPolarHBondContact O-CD2 3.4Å; S250-Y253 PolarHBondContact O-N 3.43Å |
| 251 | M | 91.5 | Very high | 89.8 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.2 | -176.6 | -70.5 | 169.7 | 60.2 | 0 | 0 | 113.8 | I247 Y248 Y253 Y258 I262 L265 F296 | I247-M251 WeakPolarHBondContact O-CG 3.34Å; I247-M251 PolarHBondContact O-N 3.13Å; Y248-M251 HydrophobicContact CD1-SD 4.26Å; Y248-M251 PolarHBondContact O-N 3.32Å; M251-Y253 VanDerWaalsContact C-N 3.33Å; M251-Y253 PolarHBondContact O-N 3.43Å; M251-Y258 HydrophobicContact CB-CD2 4.14Å; M251-Y258 HydrophobicContact CE-CD2 3.73Å; M251-Y258 HydrophobicContact CE-CE2 3.79Å; M251-I262 HydrophobicContact CE-CD1 4.32Å; M251-I262 HydrophobicContact CE-CG1 3.51Å; M251-L265 HydrophobicContact CE-CD1 4.34Å; M251-L265 HydrophobicContact SD-CD1 3.79Å; M251-F296 HydrophobicContact CB-CE1 3.75Å; M251-F296 HydrophobicContact CB-CZ 3.75Å; M251-F296 HydrophobicContact CE-CD1 4.45Å; M251-F296 HydrophobicContact CE-CE1 4.01Å; M251-F296 HydrophobicContact CE-CE2 4.23Å; M251-F296 HydrophobicContact CE-CZ 3.89Å; M251-F296 HydrophobicContact CG-CZ 4.47Å; M251-F296 HydrophobicContact SD-CE2 4.38Å; M251-F296 HydrophobicContact SD-CZ 3.98Å |
| 252 | Q | 88.5 | Confident | 90.3 | Very high | 130 Ų | 130 | 40 Ų | 40 | 61% | 0.607 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10.3 | -178.7 | 76.1 | -166.9 | -46.7 | 0 | 0 | 114.2 | N249 S250 | N249-Q252 WeakPolarHBondContact O-CG 3.39Å; N249-Q252 PolarHBondContact O-NE2 2.9Å; S250-Q252 PolarHBondContact O-N 3.48Å |
| 253 | Y | 86.9 | Confident | 90.7 | Very high | 147 Ų | 147 | 38 Ų | 38 | 58% | 0.576 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -88.5 | -28.2 | -169.9 | -64.4 | -68.6 | 0 | 0 | 0 | 114.4 | N249 S250 M251 | N249-Y253 WeakPolarHBondContact O-CE2 3.29Å; S250-Y253 VanDerWaalsContact O-CD2 3.27Å; S250-Y253 WeakPolarHBondContact O-CD2 3.4Å; S250-Y253 PolarHBondContact O-N 3.43Å; M251-Y253 VanDerWaalsContact C-N 3.33Å; M251-Y253 PolarHBondContact O-N 3.43Å |
| 254 | S | 88 | Confident | 90.8 | Very high | 31 Ų | 31 | 38 Ų | 38 | 22% | 0.217 | 19% | 0.185 | C | C | . | . | trans | -160.3 | 163.1 | 178.8 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | E210 L257 Y258 | E210-S254 WeakPolarHBondContact OE1-CB 3.41Å; E210-S254 PolarHBondContact OE1-OG 2.96Å; S254-L257 PolarHBondContact O-N 3.42Å; S254-L257 WeakPolarHBondContact OG-CB 3.35Å; S254-L257 WeakPolarHBondContact OG-CD1 3.5Å; S254-L257 WeakPolarHBondContact OG-CG 3.45Å; S254-L257 PolarHBondContact OG-N 3.24Å; S254-Y258 WeakPolarHBondContact O-CB 3.42Å; S254-Y258 PolarHBondContact O-N 2.92Å | ||
| 255 | E | 85.9 | Confident | 91 | Very high | 125 Ų | 125 | 38 Ų | 38 | 58% | 0.584 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -65.1 | -40.7 | 176.8 | -172.8 | 174 | -177.9 | 0 | 0 | 112 | L257 Y258 L259 | E255-L257 PolarHBondContact O-N 3.49Å; E255-Y258 WeakPolarHBondContact O-CB 3.31Å; E255-Y258 PolarHBondContact O-N 3.4Å; E255-L259 PolarHBondContact O-N 3.16Å |
| 256 | D | 88.8 | Confident | 91.1 | Very high | 103 Ų | 103 | 35.2 Ų | 35.2 | 55% | 0.551 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -62.8 | -41.9 | 177.4 | -69.4 | -13.1 | 0 | 0 | 0 | 111.5 | T260 | D256-T260 VanDerWaalsContact O-CB 3.3Å; D256-T260 WeakPolarHBondContact O-CB 3.46Å; D256-T260 PolarHBondContact O-N 3.32Å; D256-T260 PolarHBondContact O-OG1 3.2Å |
| 257 | L | 91.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.9 | -32.2 | 175.4 | -68.4 | 174 | 0 | 0 | 0 | 112.2 | E210 R213 I217 S254 E255 G261 | E210-L257 HydrophobicContact CG-CD1 4.28Å; E210-L257 HydrophobicContact CG-CD2 4.45Å; E210-L257 HydrophobicContact CG-CG 4.18Å; R213-L257 HydrophobicContact CB-CD2 3.93Å; I217-L257 HydrophobicContact CD1-CD2 3.72Å; S254-L257 PolarHBondContact O-N 3.42Å; S254-L257 WeakPolarHBondContact OG-CB 3.35Å; S254-L257 WeakPolarHBondContact OG-CD1 3.5Å; S254-L257 WeakPolarHBondContact OG-CG 3.45Å; S254-L257 PolarHBondContact OG-N 3.24Å; E255-L257 PolarHBondContact O-N 3.49Å; L257-G261 WeakPolarHBondContact O-CA 3.39Å; L257-G261 PolarHBondContact O-N 2.99Å |
| 258 | Y | 91.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -52.5 | 172.7 | -175.7 | -101.6 | 0 | 0 | 0 | 111.1 | M251 S254 E255 G261 I262 F296 T299 L303 A325 T329 | M251-Y258 HydrophobicContact CB-CD2 4.14Å; M251-Y258 HydrophobicContact CE-CD2 3.73Å; M251-Y258 HydrophobicContact CE-CE2 3.79Å; S254-Y258 WeakPolarHBondContact O-CB 3.42Å; S254-Y258 PolarHBondContact O-N 2.92Å; E255-Y258 WeakPolarHBondContact O-CB 3.31Å; E255-Y258 PolarHBondContact O-N 3.4Å; Y258-G261 PolarHBondContact O-N 3.3Å; Y258-I262 HydrophobicContact CD1-CD1 3.75Å; Y258-I262 HydrophobicContact CD2-CD1 4.49Å; Y258-I262 HydrophobicContact CE1-CD1 3.2Å; Y258-I262 HydrophobicContact CE1-CG1 4.35Å; Y258-I262 HydrophobicContact CE2-CD1 4.01Å; Y258-I262 HydrophobicContact CG-CD1 4.37Å; Y258-I262 WeakPolarHBondContact O-CG1 3.35Å; Y258-I262 PolarHBondContact O-N 3.27Å; Y258-F296 HydrophobicContact CD2-CD1 4.27Å; Y258-F296 HydrophobicContact CD2-CE1 4.28Å; Y258-F296 AromaticContact CE2-CD1 3.65Å; Y258-F296 HydrophobicContact CE2-CD1 3.65Å; Y258-F296 HydrophobicContact CE2-CE1 4.08Å; Y258-F296 HydrophobicContact CE2-CG 4.33Å; Y258-T299 HydrophobicContact CE1-CG2 4.31Å; Y258-T299 HydrophobicContact CE2-CG2 3.86Å; Y258-L303 HydrophobicContact CE1-CD1 4.39Å; Y258-A325 HydrophobicContact CD1-CB 4.12Å; Y258-A325 HydrophobicContact CE1-CB 3.99Å; Y258-T329 PolarHBondContact OH-OG1 3.35Å; Y258-T329 VanDerWaalsContact OH-OG1 3.05Å |
| 259 | L | 92 | Very high | 90.4 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 177.4 | -76.2 | 170.5 | 0 | 0 | 0 | 112.2 | E255 G261 I262 N263 E324 A325 | E255-L259 PolarHBondContact O-N 3.16Å; L259-G261 VanDerWaalsContact C-N 3.32Å; L259-G261 PolarHBondContact O-N 2.6Å; L259-I262 PolarHBondContact O-N 3.48Å; L259-N263 WeakPolarHBondContact O-CB 3.29Å; L259-N263 PolarHBondContact O-N 2.97Å; L259-N263 PolarHBondContact O-ND2 3.21Å; L259-E324 HydrophobicContact CD2-CB 4.2Å; L259-E324 HydrophobicContact CD2-CG 3.92Å; L259-A325 HydrophobicContact CD2-CB 3.92Å |
| 260 | T | 92.5 | Very high | 90 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.7 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | S214 I217 H218 D256 N263 A264 | S214-T260 VanDerWaalsContact O-CG2 3.3Å; S214-T260 WeakPolarHBondContact O-CG2 3.27Å; S214-T260 WeakPolarHBondContact OG-CG2 3.38Å; S214-T260 PolarHBondContact OG-OG1 3.07Å; I217-T260 HydrophobicContact CB-CG2 4.05Å; I217-T260 HydrophobicContact CG2-CG2 3.95Å; H218-T260 HydrophobicContact CB-CG2 4.28Å; D256-T260 VanDerWaalsContact O-CB 3.3Å; D256-T260 WeakPolarHBondContact O-CB 3.46Å; D256-T260 PolarHBondContact O-N 3.32Å; D256-T260 PolarHBondContact O-OG1 3.2Å; T260-N263 PolarHBondContact O-N 2.73Å; T260-A264 WeakPolarHBondContact O-CB 3.22Å; T260-A264 PolarHBondContact O-N 2.89Å |
| 261 | G | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L257 Y258 L259 A264 L265 | L257-G261 WeakPolarHBondContact O-CA 3.39Å; L257-G261 PolarHBondContact O-N 2.99Å; Y258-G261 PolarHBondContact O-N 3.3Å; L259-G261 VanDerWaalsContact C-N 3.32Å; L259-G261 PolarHBondContact O-N 2.6Å; G261-A264 WeakPolarHBondContact O-CB 3.39Å; G261-A264 PolarHBondContact O-N 3.36Å; G261-L265 VanDerWaalsContact O-CG 3.29Å; G261-L265 WeakPolarHBondContact O-CG 3.2Å; G261-L265 PolarHBondContact O-N 3.44Å |
| 262 | I | 93.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 174.7 | -69.3 | 177.2 | 0 | 0 | 0 | 111 | M251 Y258 L259 A264 L265 I266 K328 T329 L332 | M251-I262 HydrophobicContact CE-CD1 4.32Å; M251-I262 HydrophobicContact CE-CG1 3.51Å; Y258-I262 HydrophobicContact CD1-CD1 3.75Å; Y258-I262 HydrophobicContact CD2-CD1 4.49Å; Y258-I262 HydrophobicContact CE1-CD1 3.2Å; Y258-I262 HydrophobicContact CE1-CG1 4.35Å; Y258-I262 HydrophobicContact CE2-CD1 4.01Å; Y258-I262 HydrophobicContact CG-CD1 4.37Å; Y258-I262 WeakPolarHBondContact O-CG1 3.35Å; Y258-I262 PolarHBondContact O-N 3.27Å; L259-I262 PolarHBondContact O-N 3.48Å; I262-A264 PolarHBondContact O-N 3.37Å; I262-L265 PolarHBondContact O-N 3.07Å; I262-L265 VanDerWaalsContact O-N 3.09Å; I262-I266 HydrophobicContact CG2-CD1 3.78Å; I262-I266 HydrophobicContact CG2-CG1 4.23Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.06Å; I262-K328 HydrophobicContact CG2-CB 3.66Å; I262-K328 WeakPolarHBondContact CG2-O 3.39Å; I262-T329 WeakPolarHBondContact CD1-OG1 3.47Å; I262-L332 HydrophobicContact CG2-CB 4.43Å; I262-L332 HydrophobicContact CG2-CD2 4.48Å |
| 263 | N | 93.4 | Very high | 86.9 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -37.9 | 176.9 | -76.5 | -40 | 0 | 0 | 0 | 111.3 | L259 T260 N267 K328 | L259-N263 WeakPolarHBondContact O-CB 3.29Å; L259-N263 PolarHBondContact O-N 2.97Å; L259-N263 PolarHBondContact O-ND2 3.21Å; T260-N263 PolarHBondContact O-N 2.73Å; N263-N267 PolarHBondContact O-N 3.15Å; N263-N267 VanDerWaalsContact O-N 3.13Å; N263-K328 WeakPolarHBondContact OD1-CD 3.5Å; N263-K328 WeakPolarHBondContact OD1-CE 3.49Å; N263-K328 PolarHBondContact OD1-NZ 3.31Å |
| 264 | A | 92.1 | Very high | 86 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I217 A221 T260 G261 I262 N267 I268 | I217-A264 HydrophobicContact CG2-CB 3.57Å; A221-A264 VanDerWaalsContact CB-CA 3.48Å; A221-A264 HydrophobicContact CB-CB 3.59Å; T260-A264 WeakPolarHBondContact O-CB 3.22Å; T260-A264 PolarHBondContact O-N 2.89Å; G261-A264 WeakPolarHBondContact O-CB 3.39Å; G261-A264 PolarHBondContact O-N 3.36Å; I262-A264 PolarHBondContact O-N 3.37Å; A264-N267 PolarHBondContact O-N 3.26Å; A264-I268 WeakPolarHBondContact O-CD1 3.39Å; A264-I268 WeakPolarHBondContact O-CG1 3.44Å; A264-I268 PolarHBondContact O-N 3.27Å |
| 265 | L | 92.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 178 | -69.4 | 168.7 | 0 | 0 | 0 | 112.5 | V244 Y248 M251 G261 I262 I268 F269 L332 | V244-L265 HydrophobicContact CG1-CD2 4.33Å; Y248-L265 HydrophobicContact CD1-CD1 3.79Å; Y248-L265 HydrophobicContact CD1-CD2 4.43Å; Y248-L265 HydrophobicContact CE1-CD1 3.31Å; Y248-L265 HydrophobicContact CE1-CD2 3.83Å; Y248-L265 HydrophobicContact CE1-CG 4.23Å; Y248-L265 HydrophobicContact CE2-CD2 4.19Å; M251-L265 HydrophobicContact CE-CD1 4.34Å; M251-L265 HydrophobicContact SD-CD1 3.79Å; G261-L265 VanDerWaalsContact O-CG 3.29Å; G261-L265 WeakPolarHBondContact O-CG 3.2Å; G261-L265 PolarHBondContact O-N 3.44Å; I262-L265 PolarHBondContact O-N 3.07Å; I262-L265 VanDerWaalsContact O-N 3.09Å; L265-I268 PolarHBondContact O-N 3.2Å; L265-F269 WeakPolarHBondContact O-CB 3.36Å; L265-F269 VanDerWaalsContact O-CD1 3.25Å; L265-F269 WeakPolarHBondContact O-CD1 3.45Å; L265-F269 WeakPolarHBondContact O-CG 3.35Å; L265-F269 PolarHBondContact O-N 2.99Å; L265-L332 HydrophobicContact CB-CD1 3.87Å; L265-L332 HydrophobicContact CB-CD2 3.99Å; L265-L332 HydrophobicContact CD1-CD2 4.04Å |
| 266 | I | 92 | Very high | 84 | Confident | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.036 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.4 | -52.7 | 173.4 | -72.5 | 168.1 | 0 | 0 | 0 | 109.7 | I262 I268 F269 E270 K328 L331 L332 I335 | I262-I266 HydrophobicContact CG2-CD1 3.78Å; I262-I266 HydrophobicContact CG2-CG1 4.23Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.06Å; I266-I268 VanDerWaalsContact C-N 3.3Å; I266-I268 PolarHBondContact O-N 3.23Å; I266-F269 PolarHBondContact O-N 3.05Å; I266-F269 VanDerWaalsContact O-N 3.08Å; I266-E270 HydrophobicContact CG2-CG 4.28Å; I266-E270 WeakPolarHBondContact O-CG 3.19Å; I266-E270 PolarHBondContact O-N 3.11Å; I266-K328 HydrophobicContact CD1-CB 4.35Å; I266-K328 HydrophobicContact CD1-CD 4Å; I266-L331 HydrophobicContact CD1-CB 4.46Å; I266-L331 HydrophobicContact CD1-CD2 4.06Å; I266-L331 HydrophobicContact CD1-CG 4.28Å; I266-L332 HydrophobicContact CG1-CB 4Å; I266-L332 HydrophobicContact CG1-CD1 4.04Å; I266-I335 HydrophobicContact CB-CD1 4.38Å; I266-I335 HydrophobicContact CG1-CD1 4.26Å; I266-I335 HydrophobicContact CG2-CD1 3.75Å |
| 267 | N | 88.1 | Confident | 82.8 | Confident | 53 Ų | 53 | 20.8 Ų | 20.8 | 28% | 0.283 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -60.4 | -39 | 179.8 | -70.8 | -7.7 | 0 | 0 | 0 | 112.5 | A221 N263 A264 S271 | A221-N267 HydrophobicContact CB-CB 4.17Å; N263-N267 PolarHBondContact O-N 3.15Å; N263-N267 VanDerWaalsContact O-N 3.13Å; A264-N267 PolarHBondContact O-N 3.26Å; N267-S271 WeakPolarHBondContact O-CB 3.33Å; N267-S271 PolarHBondContact O-N 2.71Å; N267-S271 PolarHBondContact O-OG 3.04Å |
| 268 | I | 86.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 176.2 | -66.2 | 161.1 | 0 | 0 | 0 | 110.1 | A221 M224 V244 A264 L265 I266 S271 G273 V274 | A221-I268 HydrophobicContact CB-CG1 4.34Å; M224-I268 HydrophobicContact CE-CD1 3.39Å; M224-I268 HydrophobicContact CE-CG1 3.93Å; M224-I268 HydrophobicContact SD-CD1 4.4Å; V244-I268 HydrophobicContact CG2-CD1 4.45Å; A264-I268 WeakPolarHBondContact O-CD1 3.39Å; A264-I268 WeakPolarHBondContact O-CG1 3.44Å; A264-I268 PolarHBondContact O-N 3.27Å; L265-I268 PolarHBondContact O-N 3.2Å; I266-I268 VanDerWaalsContact C-N 3.3Å; I266-I268 PolarHBondContact O-N 3.23Å; I268-S271 PolarHBondContact O-OG 3.48Å; I268-S271 VanDerWaalsContact O-OG 3.13Å; I268-G273 VanDerWaalsContact CG2-O 3.31Å; I268-G273 WeakPolarHBondContact CG2-O 3.23Å; I268-G273 PolarHBondContact O-N 2.91Å; I268-V274 HydrophobicContact CG2-CB 4.26Å; I268-V274 HydrophobicContact CG2-CG2 3.94Å |
| 269 | F | 86.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.5 | -39.3 | -175.2 | -78.7 | 22.9 | 0 | 0 | 0 | 112.1 | L265 I266 S271 D272 L276 H289 L293 L332 I335 L336 | L265-F269 WeakPolarHBondContact O-CB 3.36Å; L265-F269 VanDerWaalsContact O-CD1 3.25Å; L265-F269 WeakPolarHBondContact O-CD1 3.45Å; L265-F269 WeakPolarHBondContact O-CG 3.35Å; L265-F269 PolarHBondContact O-N 2.99Å; I266-F269 PolarHBondContact O-N 3.05Å; I266-F269 VanDerWaalsContact O-N 3.08Å; F269-S271 VanDerWaalsContact C-N 3.34Å; F269-S271 PolarHBondContact O-N 3.27Å; F269-D272 PolarHBondContact O-N 3.09Å; F269-L276 HydrophobicContact CB-CD1 3.58Å; F269-L276 HydrophobicContact CD1-CD1 3.67Å; F269-L276 HydrophobicContact CD1-CG 4.43Å; F269-L276 HydrophobicContact CD2-CD1 3.68Å; F269-L276 HydrophobicContact CE1-CD1 4.2Å; F269-L276 HydrophobicContact CE2-CD1 4.21Å; F269-L276 HydrophobicContact CE2-CD2 4.47Å; F269-L276 HydrophobicContact CG-CD1 3.38Å; F269-L276 HydrophobicContact CZ-CD1 4.45Å; F269-L276 HydrophobicContact CZ-CD2 4.45Å; F269-H289 AromaticContact CE1-CE1 3.66Å; F269-H289 AromaticContact CE1-ND1 3.44Å; F269-H289 WeakPolarHBondContact CE1-ND1 3.11Å; F269-H289 HydrophobicContact CZ-CB 4.13Å; F269-H289 AromaticContact CZ-CG 3.94Å; F269-H289 AromaticContact CZ-ND1 3.58Å; F269-L293 HydrophobicContact CE2-CD1 4.12Å; F269-L293 HydrophobicContact CZ-CD1 4.24Å; F269-L332 HydrophobicContact CB-CD1 4.45Å; F269-L332 HydrophobicContact CD2-CD1 3.48Å; F269-L332 VanDerWaalsContact CD2-CD1 3.48Å; F269-L332 HydrophobicContact CD2-CG 4.48Å; F269-L332 HydrophobicContact CE2-CD1 3.85Å; F269-L332 HydrophobicContact CG-CD1 3.92Å; F269-I335 HydrophobicContact CB-CG2 3.79Å; F269-L336 HydrophobicContact CD2-CB 4.42Å; F269-L336 HydrophobicContact CE2-CB 4.29Å; F269-L336 HydrophobicContact CE2-CD1 4.12Å |
| 270 | E | 84.8 | Confident | 77.8 | Confident | 105 Ų | 105 | 34.9 Ų | 34.9 | 49% | 0.491 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 177.6 | -73.7 | -177.8 | 165.3 | 0 | 0 | 112.8 | I266 D272 I335 | I266-E270 HydrophobicContact CG2-CG 4.28Å; I266-E270 WeakPolarHBondContact O-CG 3.19Å; I266-E270 PolarHBondContact O-N 3.11Å; E270-D272 PolarHBondContact O-N 3.18Å; E270-I335 HydrophobicContact CG-CD1 3.81Å; E270-I335 HydrophobicContact CG-CG1 4.38Å; E270-I335 HydrophobicContact CG-CG2 4.31Å |
| 271 | S | 75.6 | Confident | 76 | Confident | 31 Ų | 31 | 41 Ų | 41 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 7.4 | 178.3 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | S225 N230 N267 I268 F269 G273 | S225-S271 WeakPolarHBondContact CA-OG 3.32Å; S225-S271 VanDerWaalsContact CB-OG 3.29Å; S225-S271 WeakPolarHBondContact CB-OG 3.23Å; N230-S271 PolarHBondContact ND2-O 3.2Å; N267-S271 WeakPolarHBondContact O-CB 3.33Å; N267-S271 PolarHBondContact O-N 2.71Å; N267-S271 PolarHBondContact O-OG 3.04Å; I268-S271 PolarHBondContact O-OG 3.48Å; I268-S271 VanDerWaalsContact O-OG 3.13Å; F269-S271 VanDerWaalsContact C-N 3.34Å; F269-S271 PolarHBondContact O-N 3.27Å; S271-G273 PolarHBondContact O-N 2.96Å; S271-G273 VanDerWaalsContact O-N 3.13Å |
| 272 | D | 67.3 | Low | 74.6 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 16.9 | -172.6 | -48.4 | -47.9 | 0 | 0 | 0 | 113.7 | N230 F269 E270 N277 K339 | N230-D272 PolarHBondContact OD1-O 3.28Å; F269-D272 PolarHBondContact O-N 3.09Å; E270-D272 PolarHBondContact O-N 3.18Å; D272-N277 HydrophobicContact CB-CB 4.06Å; D272-N277 WeakPolarHBondContact CB-ND2 3.47Å; D272-N277 PolarHBondContact OD1-ND2 3.43Å; D272-N277 PolarHBondContact OD2-ND2 3.48Å; D272-K339 WeakPolarHBondContact OD1-CE 3.37Å; D272-K339 IonicContact OD1-NZ 3.82Å; D272-K339 PolarHBondContact OD1-NZ 3.45Å |
| 273 | G | 60.9 | Low | 73.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 145.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I268 S271 G275 | I268-G273 VanDerWaalsContact CG2-O 3.31Å; I268-G273 WeakPolarHBondContact CG2-O 3.23Å; I268-G273 PolarHBondContact O-N 2.91Å; S271-G273 PolarHBondContact O-N 2.96Å; S271-G273 VanDerWaalsContact O-N 3.13Å; G273-G275 VanDerWaalsContact C-N 3.29Å; G273-G275 PolarHBondContact O-N 2.71Å |
| 274 | V | 67.4 | Low | 72.7 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 25.7 | 176.1 | -156.9 | 0 | 0 | 0 | 0 | 114.4 | M224 L241 V244 I268 H289 | M224-V274 HydrophobicContact SD-CG2 3.9Å; L241-V274 HydrophobicContact CD1-CG1 4.13Å; V244-V274 HydrophobicContact CG2-CB 4.38Å; V244-V274 HydrophobicContact CG2-CG1 3.99Å; V244-V274 HydrophobicContact CG2-CG2 4.09Å; I268-V274 HydrophobicContact CG2-CB 4.26Å; I268-V274 HydrophobicContact CG2-CG2 3.94Å; V274-H289 PolarHBondContact O-NE2 2.96Å |
| 275 | G | 63.1 | Low | 72 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.5 | 9.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | G273 S278 | G273-G275 VanDerWaalsContact C-N 3.29Å; G273-G275 PolarHBondContact O-N 2.71Å; G275-S278 WeakPolarHBondContact O-CB 3.13Å; G275-S278 PolarHBondContact O-N 2.68Å; G275-S278 PolarHBondContact O-OG 2.84Å |
| 276 | L | 69.4 | Low | 71.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -47.7 | 174.2 | -69.8 | 178.2 | 0 | 0 | 0 | 111.9 | F269 S278 L286 L336 Q340 | F269-L276 HydrophobicContact CB-CD1 3.58Å; F269-L276 HydrophobicContact CD1-CD1 3.67Å; F269-L276 HydrophobicContact CD1-CG 4.43Å; F269-L276 HydrophobicContact CD2-CD1 3.68Å; F269-L276 HydrophobicContact CE1-CD1 4.2Å; F269-L276 HydrophobicContact CE2-CD1 4.21Å; F269-L276 HydrophobicContact CE2-CD2 4.47Å; F269-L276 HydrophobicContact CG-CD1 3.38Å; F269-L276 HydrophobicContact CZ-CD1 4.45Å; F269-L276 HydrophobicContact CZ-CD2 4.45Å; L276-S278 PolarHBondContact O-N 3.06Å; L276-L286 HydrophobicContact CD2-CD1 3.99Å; L276-L336 HydrophobicContact CD2-CD1 3.88Å; L276-Q340 HydrophobicContact CD2-CG 4.17Å; L276-Q340 PolarHBondContact O-NE2 3.46Å; L276-Q340 PolarHBondContact O-OE1 3.36Å |
| 277 | N | 64.2 | Low | 71 | Confident | 80 Ų | 80 | 47 Ų | 47 | 43% | 0.428 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 20.6 | 177.9 | -75.9 | -3.1 | 0 | 0 | 0 | 114.5 | D272 | D272-N277 HydrophobicContact CB-CB 4.06Å; D272-N277 WeakPolarHBondContact CB-ND2 3.47Å; D272-N277 PolarHBondContact OD1-ND2 3.43Å; D272-N277 PolarHBondContact OD2-ND2 3.48Å |
| 278 | S | 55.5 | Low | 70.9 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | trans | -75.5 | 141.3 | -175.7 | 69 | 0 | 0 | 0 | 0 | 111.7 | G275 L276 K282 | G275-S278 WeakPolarHBondContact O-CB 3.13Å; G275-S278 PolarHBondContact O-N 2.68Å; G275-S278 PolarHBondContact O-OG 2.84Å; L276-S278 PolarHBondContact O-N 3.06Å; S278-K282 VanDerWaalsContact CB-CB 3.44Å; S278-K282 WeakPolarHBondContact OG-CB 3.41Å; S278-K282 PolarHBondContact OG-O 3.2Å | ||
| 279 | D | 58.6 | Low | 71 | Confident | 97 Ų | 97 | 46.3 Ų | 46.3 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | trans | -51.7 | 161 | 177.2 | -71.6 | -50.8 | 0 | 0 | 0 | 111.4 | D281 K282 | D279-D281 PolarHBondContact O-N 2.75Å; D279-K282 PolarHBondContact O-N 2.88Å | ||
| 280 | R | 55.7 | Low | 71.1 | Confident | 213 Ų | 213 | 46.4 Ų | 46.4 | 80% | 0.804 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -46.2 | -29.5 | -178.7 | -68.6 | -176.6 | -177.7 | -173.1 | -1 | 114.2 | K282 G283 | R280-K282 VanDerWaalsContact C-N 3.26Å; R280-K282 PolarHBondContact O-N 3.29Å; R280-G283 PolarHBondContact O-N 2.91Å |
| 281 | D | 55.4 | Low | 71.4 | Confident | 153 Ų | 153 | 42.5 Ų | 42.5 | 82% | 0.818 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -67.3 | -20 | 178.8 | -64.5 | -21.1 | 0 | 0 | 0 | 114.1 | D279 | D279-D281 PolarHBondContact O-N 2.75Š|
| 282 | K | 63.3 | Low | 72.1 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -109.6 | 18.8 | 179.3 | -71.3 | -168.3 | -178.6 | -169.5 | 0 | 113.4 | C232 S278 D279 R280 F284 L285 | C232-K282 WeakPolarHBondContact O-CE 3.27Å; C232-K282 PolarHBondContact O-NZ 3.24Å; C232-K282 VanDerWaalsContact O-NZ 3.11Å; S278-K282 VanDerWaalsContact CB-CB 3.44Å; S278-K282 WeakPolarHBondContact OG-CB 3.41Å; S278-K282 PolarHBondContact OG-O 3.2Å; D279-K282 PolarHBondContact O-N 2.88Å; R280-K282 VanDerWaalsContact C-N 3.26Å; R280-K282 PolarHBondContact O-N 3.29Å; K282-F284 HydrophobicContact CB-CE1 4.27Å; K282-F284 HydrophobicContact CG-CE1 4.24Å; K282-F284 PolarHBondContact O-N 2.93Å; K282-L285 HydrophobicContact CB-CD1 4.2Å; K282-L285 HydrophobicContact CD-CD1 4.15Å; K282-L285 WeakPolarHBondContact O-CB 3.33Å; K282-L285 PolarHBondContact O-N 3.2Å |
| 283 | G | 70.2 | Confident | 73.3 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.5 | -18.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | R280 L285 L286 D287 | R280-G283 PolarHBondContact O-N 2.91Å; G283-L285 PolarHBondContact O-N 3.43Å; G283-L286 PolarHBondContact O-N 3.36Å; G283-D287 PolarHBondContact O-N 3.19Å |
| 284 | F | 76.3 | Confident | 74.8 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 46% | 0.461 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.4 | -28 | 172.7 | 77.2 | -90.7 | 0 | 0 | 0 | 113.5 | K282 D287 F288 | K282-F284 HydrophobicContact CB-CE1 4.27Å; K282-F284 HydrophobicContact CG-CE1 4.24Å; K282-F284 PolarHBondContact O-N 2.93Å; F284-D287 PolarHBondContact O-N 3.2Å; F284-F288 PolarHBondContact O-N 2.84Å |
| 285 | L | 78.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | 176.7 | -67.3 | 173.8 | 0 | 0 | 0 | 110.5 | L241 K282 G283 F288 H289 | L241-L285 HydrophobicContact CD1-CD2 3.96Å; L241-L285 HydrophobicContact CD2-CD2 4.23Å; K282-L285 HydrophobicContact CB-CD1 4.2Å; K282-L285 HydrophobicContact CD-CD1 4.15Å; K282-L285 WeakPolarHBondContact O-CB 3.33Å; K282-L285 PolarHBondContact O-N 3.2Å; G283-L285 PolarHBondContact O-N 3.43Å; L285-F288 WeakPolarHBondContact O-CB 3.42Å; L285-F288 PolarHBondContact O-N 3.12Å; L285-H289 PolarHBondContact O-CD2 3.31Å; L285-H289 PolarHBondContact O-N 2.91Å |
| 286 | L | 81.6 | Confident | 77.3 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 172.7 | -179.9 | 64.4 | 0 | 0 | 0 | 111.1 | L276 G283 F288 H289 V290 L336 Q340 Y343 L344 | L276-L286 HydrophobicContact CD2-CD1 3.99Å; G283-L286 PolarHBondContact O-N 3.36Å; L286-F288 PolarHBondContact O-N 3.06Å; L286-H289 PolarHBondContact O-N 3.02Å; L286-V290 HydrophobicContact CD1-CG2 4.07Å; L286-V290 HydrophobicContact CG-CG2 4.19Å; L286-V290 WeakPolarHBondContact O-CG2 3.42Å; L286-V290 PolarHBondContact O-N 3.21Å; L286-L336 HydrophobicContact CD1-CD1 3.95Å; L286-Q340 HydrophobicContact CD1-CB 4.24Å; L286-Q340 HydrophobicContact CD1-CG 4.04Å; L286-Q340 HydrophobicContact CD2-CB 4.24Å; L286-Q340 HydrophobicContact CD2-CG 4.35Å; L286-Y343 HydrophobicContact CD2-CD1 3.32Å; L286-Y343 HydrophobicContact CD2-CE1 3.75Å; L286-Y343 HydrophobicContact CD2-CG 4.18Å; L286-L344 HydrophobicContact CD2-CD2 4.1Å |
| 287 | D | 81.9 | Confident | 78.4 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.4 | -38.3 | 176.8 | -79.7 | -1.1 | 0 | 0 | 0 | 111.2 | G283 F284 S291 R347 N356 | G283-D287 PolarHBondContact O-N 3.19Å; F284-D287 PolarHBondContact O-N 3.2Å; D287-S291 VanDerWaalsContact O-CB 3.3Å; D287-S291 WeakPolarHBondContact O-CB 3.35Å; D287-S291 PolarHBondContact O-N 3.16Å; D287-R347 IonicContact OD1-NH2 2.64Å; D287-R347 IonicContact OD2-NH2 3.19Å; D287-R347 PolarHBondContact OD2-NH2 2.8Å; D287-R347 VanDerWaalsContact OD2-NH2 3.16Å; D287-N356 PolarHBondContact OD2-ND2 3.5Å |
| 288 | F | 86.3 | Confident | 79.8 | Confident | 39 Ų | 39 | 50 Ų | 50 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -51.9 | 172.6 | 168.2 | -92.5 | 0 | 0 | 0 | 112.1 | L241 V244 H245 Y248 F284 L285 L286 V290 S291 E292 | L241-F288 HydrophobicContact CD1-CD1 3.42Å; L241-F288 VanDerWaalsContact CD1-CD1 3.42Å; L241-F288 HydrophobicContact CD1-CE1 3.47Å; L241-F288 VanDerWaalsContact CD1-CE1 3.47Å; L241-F288 HydrophobicContact CD1-CG 4.02Å; L241-F288 HydrophobicContact CD1-CZ 4.1Å; L241-F288 HydrophobicContact CD2-CD2 4.49Å; L241-F288 HydrophobicContact CD2-CG 4.45Å; L241-F288 HydrophobicContact CG-CD1 4.21Å; L241-F288 HydrophobicContact CG-CE1 4.05Å; L241-F288 HydrophobicContact CG-CE2 4.44Å; L241-F288 HydrophobicContact CG-CG 4.47Å; L241-F288 HydrophobicContact CG-CZ 4.17Å; V244-F288 HydrophobicContact CG1-CE1 4.09Å; H245-F288 HydrophobicContact CB-CE2 4.2Å; H245-F288 HydrophobicContact CB-CZ 3.76Å; H245-F288 AromaticContact ND1-CE2 3.84Å; H245-F288 AromaticContact ND1-CZ 3.98Å; Y248-F288 HydrophobicContact CD2-CE1 4.36Å; Y248-F288 HydrophobicContact CD2-CZ 4.42Å; Y248-F288 HydrophobicContact CE2-CE1 4.08Å; F284-F288 PolarHBondContact O-N 2.84Å; L285-F288 WeakPolarHBondContact O-CB 3.42Å; L285-F288 PolarHBondContact O-N 3.12Å; L286-F288 PolarHBondContact O-N 3.06Å; F288-V290 VanDerWaalsContact C-N 3.31Å; F288-V290 PolarHBondContact O-N 3.43Å; F288-S291 PolarHBondContact O-N 3.38Å; F288-E292 HydrophobicContact CD2-CG 4.22Å; F288-E292 HydrophobicContact CE1-CG 4.12Å; F288-E292 HydrophobicContact CE2-CG 3.8Å; F288-E292 HydrophobicContact CZ-CG 3.74Å; F288-E292 WeakPolarHBondContact O-CG 3.42Å; F288-E292 PolarHBondContact O-N 3.04Å |
| 289 | H | 88.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 179.4 | -75.7 | -76.3 | 0 | 0 | 0 | 112 | Y248 F269 V274 L285 L286 E292 L293 | Y248-H289 AromaticContact CE2-ND1 3.88Å; Y248-H289 AromaticContact CZ-ND1 3.93Å; Y248-H289 PolarHBondContact OH-ND1 2.92Å; Y248-H289 VanDerWaalsContact OH-ND1 3.1Å; F269-H289 AromaticContact CE1-CE1 3.66Å; F269-H289 AromaticContact CE1-ND1 3.44Å; F269-H289 WeakPolarHBondContact CE1-ND1 3.11Å; F269-H289 HydrophobicContact CZ-CB 4.13Å; F269-H289 AromaticContact CZ-CG 3.94Å; F269-H289 AromaticContact CZ-ND1 3.58Å; V274-H289 PolarHBondContact O-NE2 2.96Å; L285-H289 PolarHBondContact O-CD2 3.31Å; L285-H289 PolarHBondContact O-N 2.91Å; L286-H289 PolarHBondContact O-N 3.02Å; H289-E292 PolarHBondContact O-N 3.47Å; H289-L293 WeakPolarHBondContact O-CB 3.46Å; H289-L293 VanDerWaalsContact O-CG 3.23Å; H289-L293 WeakPolarHBondContact O-CG 3.32Å; H289-L293 PolarHBondContact O-N 3.42Å |
| 290 | V | 89.3 | Confident | 83.2 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111 | L286 F288 E292 L293 T294 L344 I360 L363 | L286-V290 HydrophobicContact CD1-CG2 4.07Å; L286-V290 HydrophobicContact CG-CG2 4.19Å; L286-V290 WeakPolarHBondContact O-CG2 3.42Å; L286-V290 PolarHBondContact O-N 3.21Å; F288-V290 VanDerWaalsContact C-N 3.31Å; F288-V290 PolarHBondContact O-N 3.43Å; V290-E292 VanDerWaalsContact C-N 3.29Å; V290-E292 PolarHBondContact O-N 3.1Å; V290-L293 PolarHBondContact O-N 3.16Å; V290-T294 HydrophobicContact CG1-CG2 4.44Å; V290-T294 WeakPolarHBondContact O-CB 3.41Å; V290-T294 WeakPolarHBondContact O-CG2 3.21Å; V290-T294 PolarHBondContact O-N 2.85Å; V290-T294 VanDerWaalsContact O-N 3.11Å; V290-T294 PolarHBondContact O-OG1 3.2Å; V290-L344 HydrophobicContact CG2-CD2 4.12Å; V290-I360 HydrophobicContact CG1-CG1 4.4Å; V290-L363 HydrophobicContact CG1-CB 4.21Å; V290-L363 HydrophobicContact CG1-CD2 4.1Å; V290-L363 HydrophobicContact CG2-CD2 4.02Å |
| 291 | S | 90 | Very high | 85 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -32.5 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 113.3 | D287 F288 T294 | D287-S291 VanDerWaalsContact O-CB 3.3Å; D287-S291 WeakPolarHBondContact O-CB 3.35Å; D287-S291 PolarHBondContact O-N 3.16Å; F288-S291 PolarHBondContact O-N 3.38Å; S291-T294 PolarHBondContact O-OG1 3.38Å; S291-T294 VanDerWaalsContact O-OG1 3.06Å |
| 292 | E | 91.5 | Very high | 86.8 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -81.3 | -41.2 | 178.4 | -68 | -60.9 | 136.6 | 0 | 0 | 111.9 | H245 Y248 F288 H289 V290 T294 K295 | H245-E292 IonicContact CE1-OE1 2.64Å; H245-E292 PolarHBondContact CE1-OE1 3.23Å; H245-E292 IonicContact CE1-OE2 3.18Å; H245-E292 IonicContact ND1-OE1 2.9Å; H245-E292 PolarHBondContact ND1-OE1 2.85Å; H245-E292 IonicContact ND1-OE2 2.65Å; Y248-E292 HydrophobicContact CD1-CB 3.99Å; Y248-E292 HydrophobicContact CD2-CB 3.42Å; Y248-E292 VanDerWaalsContact CD2-CB 3.42Å; Y248-E292 HydrophobicContact CD2-CG 3.64Å; Y248-E292 HydrophobicContact CE1-CB 4.01Å; Y248-E292 HydrophobicContact CE2-CB 3.43Å; Y248-E292 VanDerWaalsContact CE2-CB 3.43Å; Y248-E292 HydrophobicContact CE2-CG 3.88Å; Y248-E292 HydrophobicContact CG-CB 3.69Å; Y248-E292 HydrophobicContact CG-CG 4.2Å; F288-E292 HydrophobicContact CD2-CG 4.22Å; F288-E292 HydrophobicContact CE1-CG 4.12Å; F288-E292 HydrophobicContact CE2-CG 3.8Å; F288-E292 HydrophobicContact CZ-CG 3.74Å; F288-E292 WeakPolarHBondContact O-CG 3.42Å; F288-E292 PolarHBondContact O-N 3.04Å; H289-E292 PolarHBondContact O-N 3.47Å; V290-E292 VanDerWaalsContact C-N 3.29Å; V290-E292 PolarHBondContact O-N 3.1Å; E292-T294 VanDerWaalsContact C-N 3.34Å; E292-T294 PolarHBondContact O-N 3.36Å; E292-K295 WeakPolarHBondContact O-CB 3.3Å; E292-K295 PolarHBondContact O-N 3.48Å; E292-K295 IonicContact OE1-NZ 3.03Å; E292-K295 PolarHBondContact OE1-NZ 3Å; E292-K295 IonicContact OE2-NZ 3.87Å; E292-K295 PolarHBondContact OE2-NZ 2.9Å |
| 293 | L | 92.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 178.7 | -74.8 | 169.8 | 0 | 0 | 0 | 112.6 | Y248 F269 H289 V290 K295 F296 L332 L336 | Y248-L293 HydrophobicContact CE1-CD2 3.88Å; Y248-L293 HydrophobicContact CE1-CG 4.18Å; F269-L293 HydrophobicContact CE2-CD1 4.12Å; F269-L293 HydrophobicContact CZ-CD1 4.24Å; H289-L293 WeakPolarHBondContact O-CB 3.46Å; H289-L293 VanDerWaalsContact O-CG 3.23Å; H289-L293 WeakPolarHBondContact O-CG 3.32Å; H289-L293 PolarHBondContact O-N 3.42Å; V290-L293 PolarHBondContact O-N 3.16Å; L293-K295 PolarHBondContact O-N 3.42Å; L293-F296 WeakPolarHBondContact O-CB 3.07Å; L293-F296 PolarHBondContact O-N 2.87Å; L293-L332 HydrophobicContact CD2-CD2 3.68Å; L293-L332 HydrophobicContact CD2-CG 4.48Å; L293-L336 HydrophobicContact CD1-CD2 3.77Å |
| 294 | T | 92 | Very high | 89.2 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -61.3 | -24.7 | 179.9 | 44.7 | 0 | 0 | 0 | 0 | 113.3 | V290 S291 E292 F296 K297 Y359 E362 L363 M366 | V290-T294 HydrophobicContact CG1-CG2 4.44Å; V290-T294 WeakPolarHBondContact O-CB 3.41Å; V290-T294 WeakPolarHBondContact O-CG2 3.21Å; V290-T294 PolarHBondContact O-N 2.85Å; V290-T294 VanDerWaalsContact O-N 3.11Å; V290-T294 PolarHBondContact O-OG1 3.2Å; S291-T294 PolarHBondContact O-OG1 3.38Å; S291-T294 VanDerWaalsContact O-OG1 3.06Å; E292-T294 VanDerWaalsContact C-N 3.34Å; E292-T294 PolarHBondContact O-N 3.36Å; T294-F296 PolarHBondContact O-N 3.08Å; T294-K297 WeakPolarHBondContact O-CB 3.49Å; T294-K297 PolarHBondContact O-N 3.31Å; T294-K297 VanDerWaalsContact O-N 3.09Å; T294-Y359 VanDerWaalsContact CG2-O 3.23Å; T294-Y359 WeakPolarHBondContact CG2-O 3.34Å; T294-Y359 VanDerWaalsContact OG1-CD1 3.31Å; T294-Y359 WeakPolarHBondContact OG1-CD1 3.2Å; T294-E362 HydrophobicContact CG2-CB 3.73Å; T294-L363 HydrophobicContact CG2-CB 4.25Å; T294-M366 HydrophobicContact CG2-SD 4.49Å |
| 295 | K | 91.8 | Very high | 90 | Very high | 110 Ų | 110 | 37.4 Ų | 37.4 | 48% | 0.478 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -60.5 | -26.8 | 172.5 | -59.9 | 177.2 | -173.3 | 170.5 | 0 | 112.6 | E292 L293 K297 | E292-K295 WeakPolarHBondContact O-CB 3.3Å; E292-K295 PolarHBondContact O-N 3.48Å; E292-K295 IonicContact OE1-NZ 3.03Å; E292-K295 PolarHBondContact OE1-NZ 3Å; E292-K295 IonicContact OE2-NZ 3.87Å; E292-K295 PolarHBondContact OE2-NZ 2.9Å; L293-K295 PolarHBondContact O-N 3.42Å; K295-K297 VanDerWaalsContact C-N 3.34Å |
| 296 | F | 92.2 | Very high | 90.6 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 9% | 0.088 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -88.7 | 3.7 | 179 | -60.5 | -76.4 | 0 | 0 | 0 | 114 | Y248 M251 Y258 L293 T294 C298 T299 L300 | Y248-F296 AromaticContact CD1-CE2 3.74Å; Y248-F296 HydrophobicContact CD1-CE2 3.74Å; Y248-F296 HydrophobicContact CD1-CZ 4.46Å; Y248-F296 HydrophobicContact CE1-CE2 4.44Å; Y248-F296 WeakPolarHBondContact O-CZ 3.13Å; M251-F296 HydrophobicContact CB-CE1 3.75Å; M251-F296 HydrophobicContact CB-CZ 3.75Å; M251-F296 HydrophobicContact CE-CD1 4.45Å; M251-F296 HydrophobicContact CE-CE1 4.01Å; M251-F296 HydrophobicContact CE-CE2 4.23Å; M251-F296 HydrophobicContact CE-CZ 3.89Å; M251-F296 HydrophobicContact CG-CZ 4.47Å; M251-F296 HydrophobicContact SD-CE2 4.38Å; M251-F296 HydrophobicContact SD-CZ 3.98Å; Y258-F296 HydrophobicContact CD2-CD1 4.27Å; Y258-F296 HydrophobicContact CD2-CE1 4.28Å; Y258-F296 AromaticContact CE2-CD1 3.65Å; Y258-F296 HydrophobicContact CE2-CD1 3.65Å; Y258-F296 HydrophobicContact CE2-CE1 4.08Å; Y258-F296 HydrophobicContact CE2-CG 4.33Å; L293-F296 WeakPolarHBondContact O-CB 3.07Å; L293-F296 PolarHBondContact O-N 2.87Å; T294-F296 PolarHBondContact O-N 3.08Å; F296-C298 VanDerWaalsContact C-N 3.25Å; F296-C298 PolarHBondContact O-N 3.29Å; F296-T299 WeakPolarHBondContact O-CB 3.3Å; F296-T299 PolarHBondContact O-N 2.84Å; F296-L300 PolarHBondContact O-N 3.19Å |
| 297 | K | 92.9 | Very high | 91 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 27% | 0.274 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54 | -42.1 | 175.6 | 179.3 | 177.9 | 175 | -178.8 | 0 | 112.5 | T294 K295 T299 L300 Q301 M366 L369 | T294-K297 WeakPolarHBondContact O-CB 3.49Å; T294-K297 PolarHBondContact O-N 3.31Å; T294-K297 VanDerWaalsContact O-N 3.09Å; K295-K297 VanDerWaalsContact C-N 3.34Å; K297-T299 VanDerWaalsContact C-N 3.33Å; K297-T299 PolarHBondContact O-N 3.35Å; K297-L300 PolarHBondContact O-N 2.66Å; K297-Q301 WeakPolarHBondContact O-CB 3.31Å; K297-Q301 PolarHBondContact O-N 2.86Å; K297-M366 HydrophobicContact CB-CG 3.89Å; K297-M366 HydrophobicContact CB-SD 3.92Å; K297-M366 HydrophobicContact CD-CG 4.33Å; K297-M366 HydrophobicContact CG-CG 3.87Å; K297-L369 HydrophobicContact CG-CD1 4.29Å |
| 298 | C | 92.7 | Very high | 91.4 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 67% | 0.669 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -65.5 | -36.8 | 178 | -65.5 | 0 | 0 | 0 | 0 | 112 | F296 Q301 H302 | F296-C298 VanDerWaalsContact C-N 3.25Å; F296-C298 PolarHBondContact O-N 3.29Å; C298-Q301 PolarHBondContact O-N 3.03Å; C298-H302 WeakPolarHBondContact O-CB 3.29Å; C298-H302 PolarHBondContact O-N 2.97Å |
| 299 | T | 91.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | -46.9 | 174.9 | -50.9 | 0 | 0 | 0 | 0 | 111 | Y258 F296 K297 Q301 H302 L303 | Y258-T299 HydrophobicContact CE1-CG2 4.31Å; Y258-T299 HydrophobicContact CE2-CG2 3.86Å; F296-T299 WeakPolarHBondContact O-CB 3.3Å; F296-T299 PolarHBondContact O-N 2.84Å; K297-T299 VanDerWaalsContact C-N 3.33Å; K297-T299 PolarHBondContact O-N 3.35Å; T299-Q301 VanDerWaalsContact C-N 3.32Å; T299-Q301 PolarHBondContact O-N 3.12Å; T299-H302 WeakPolarHBondContact O-CB 3.47Å; T299-H302 PolarHBondContact O-N 2.76Å; T299-L303 HydrophobicContact CG2-CD1 4.39Å; T299-L303 WeakPolarHBondContact O-CG 3.41Å; T299-L303 PolarHBondContact O-N 3.38Å |
| 300 | L | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 175.7 | 177.5 | 60.4 | 0 | 0 | 0 | 111.2 | F296 K297 H302 L303 V304 L326 T329 L333 M366 L369 T370 | F296-L300 PolarHBondContact O-N 3.19Å; K297-L300 PolarHBondContact O-N 2.66Å; L300-H302 VanDerWaalsContact C-N 3.34Å; L300-H302 PolarHBondContact O-N 2.95Å; L300-L303 PolarHBondContact O-N 3.23Å; L300-V304 HydrophobicContact CD1-CG2 4.45Å; L300-V304 WeakPolarHBondContact O-CG2 3.42Å; L300-V304 PolarHBondContact O-N 3.37Å; L300-L326 HydrophobicContact CD1-CD1 3.45Å; L300-L326 VanDerWaalsContact CD1-CD1 3.45Å; L300-T329 HydrophobicContact CD1-CG2 4.04Å; L300-L333 HydrophobicContact CD2-CD1 4.02Å; L300-M366 HydrophobicContact CD2-CB 4Å; L300-M366 HydrophobicContact CD2-CE 4.05Å; L300-M366 HydrophobicContact CD2-CG 4.3Å; L300-L369 HydrophobicContact CD2-CB 4.3Å; L300-T370 HydrophobicContact CD2-CG2 4.31Å |
| 301 | Q | 93.9 | Very high | 91.7 | Very high | 78 Ų | 78 | 44.4 Ų | 44.4 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.3 | -175.7 | 177.7 | -16 | 0 | 0 | 111.7 | K297 C298 T299 L303 V304 E305 L369 | K297-Q301 WeakPolarHBondContact O-CB 3.31Å; K297-Q301 PolarHBondContact O-N 2.86Å; C298-Q301 PolarHBondContact O-N 3.03Å; T299-Q301 VanDerWaalsContact C-N 3.32Å; T299-Q301 PolarHBondContact O-N 3.12Å; Q301-L303 VanDerWaalsContact C-N 3.34Å; Q301-L303 PolarHBondContact O-N 3.28Å; Q301-V304 PolarHBondContact O-N 2.95Å; Q301-E305 WeakPolarHBondContact CG-OE1 3.48Å; Q301-E305 PolarHBondContact NE2-OE1 3.24Å; Q301-E305 WeakPolarHBondContact O-CG 3.44Å; Q301-E305 PolarHBondContact O-N 3.33Å; Q301-L369 HydrophobicContact CB-CD1 4.49Å |
| 302 | H | 92.8 | Very high | 91.6 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 51% | 0.514 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 176.1 | -179.3 | 60 | 0 | 0 | 0 | 112.5 | C298 T299 L300 E305 L306 | C298-H302 WeakPolarHBondContact O-CB 3.29Å; C298-H302 PolarHBondContact O-N 2.97Å; T299-H302 WeakPolarHBondContact O-CB 3.47Å; T299-H302 PolarHBondContact O-N 2.76Å; L300-H302 VanDerWaalsContact C-N 3.34Å; L300-H302 PolarHBondContact O-N 2.95Å; H302-E305 PolarHBondContact O-N 3.5Å; H302-L306 VanDerWaalsContact O-CB 3.27Å; H302-L306 WeakPolarHBondContact O-CB 3.01Å; H302-L306 PolarHBondContact O-N 3.22Å |
| 303 | L | 92.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177 | -69.5 | 170.1 | 0 | 0 | 0 | 112.1 | Y258 T299 L300 Q301 L306 H307 A325 L326 | Y258-L303 HydrophobicContact CE1-CD1 4.39Å; T299-L303 HydrophobicContact CG2-CD1 4.39Å; T299-L303 WeakPolarHBondContact O-CG 3.41Å; T299-L303 PolarHBondContact O-N 3.38Å; L300-L303 PolarHBondContact O-N 3.23Å; Q301-L303 VanDerWaalsContact C-N 3.34Å; Q301-L303 PolarHBondContact O-N 3.28Å; L303-L306 PolarHBondContact O-N 3.3Å; L303-H307 PolarHBondContact O-N 3.4Å; L303-A325 HydrophobicContact CD1-CB 4.07Å; L303-A325 HydrophobicContact CD2-CB 4.22Å; L303-L326 HydrophobicContact CB-CB 4.22Å; L303-L326 HydrophobicContact CB-CD1 3.91Å; L303-L326 HydrophobicContact CB-CG 4.42Å; L303-L326 HydrophobicContact CD1-CB 4.31Å |
| 304 | V | 92 | Very high | 91.1 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | L300 Q301 H307 S308 L326 L373 | L300-V304 HydrophobicContact CD1-CG2 4.45Å; L300-V304 WeakPolarHBondContact O-CG2 3.42Å; L300-V304 PolarHBondContact O-N 3.37Å; Q301-V304 PolarHBondContact O-N 2.95Å; V304-H307 PolarHBondContact O-N 3.44Å; V304-S308 PolarHBondContact O-N 2.73Å; V304-L326 HydrophobicContact CG2-CD1 4.16Å; V304-L373 HydrophobicContact CG2-CD1 4.05Å |
| 305 | E | 92.3 | Very high | 90.8 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.5 | -72.3 | 171.1 | -170.2 | 0 | 0 | 111.7 | Q301 H302 S308 V309 | Q301-E305 WeakPolarHBondContact CG-OE1 3.48Å; Q301-E305 PolarHBondContact NE2-OE1 3.24Å; Q301-E305 WeakPolarHBondContact O-CG 3.44Å; Q301-E305 PolarHBondContact O-N 3.33Å; H302-E305 PolarHBondContact O-N 3.5Å; E305-S308 WeakPolarHBondContact O-CB 3.5Å; E305-S308 PolarHBondContact O-N 2.91Å; E305-S308 VanDerWaalsContact O-N 3.17Å; E305-V309 WeakPolarHBondContact O-CG2 3.31Å; E305-V309 PolarHBondContact O-N 3.41Å |
| 306 | L | 90.7 | Very high | 90.4 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 177 | -177.1 | 63.6 | 0 | 0 | 0 | 111.8 | H302 L303 S308 V309 N310 K321 | H302-L306 VanDerWaalsContact O-CB 3.27Å; H302-L306 WeakPolarHBondContact O-CB 3.01Å; H302-L306 PolarHBondContact O-N 3.22Å; L303-L306 PolarHBondContact O-N 3.3Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.38Å; L306-V309 PolarHBondContact O-N 3.28Å; L306-N310 WeakPolarHBondContact O-CB 3.44Å; L306-N310 VanDerWaalsContact O-CG 3.32Å; L306-N310 PolarHBondContact O-N 3.45Å; L306-N310 PolarHBondContact O-ND2 3.02Å; L306-K321 WeakPolarHBondContact CD2-O 3.34Å |
| 307 | H | 91.6 | Very high | 90 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.023 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 171.5 | 172.5 | 54.3 | 0 | 0 | 0 | 111.4 | L303 V304 V309 N310 L311 W317 T374 D380 | L303-H307 PolarHBondContact O-N 3.4Å; V304-H307 PolarHBondContact O-N 3.44Å; H307-V309 VanDerWaalsContact C-N 3.31Å; H307-V309 PolarHBondContact O-N 3.3Å; H307-N310 PolarHBondContact O-N 3.36Å; H307-L311 WeakPolarHBondContact O-CB 3.43Å; H307-L311 PolarHBondContact O-N 3.22Å; H307-W317 AromaticContact CE1-CE3 3.41Å; H307-W317 VanDerWaalsContact CE1-CE3 3.41Å; H307-W317 AromaticContact CE1-CZ3 3.45Å; H307-W317 VanDerWaalsContact CE1-CZ3 3.45Å; H307-W317 WeakPolarHBondContact CE1-CZ3 3.43Å; H307-W317 AromaticContact CG-CZ3 3.81Å; H307-W317 AromaticContact ND1-CE3 3.48Å; H307-W317 AromaticContact ND1-CZ3 3.24Å; H307-W317 WeakPolarHBondContact ND1-CZ3 3.36Å; H307-T374 PolarHBondContact CD2-O 2.64Å; H307-T374 PolarHBondContact NE2-O 2.91Å; H307-D380 PolarHBondContact CE1-O 3.13Å |
| 308 | S | 90.4 | Very high | 89.4 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 178.6 | -162 | 0 | 0 | 0 | 0 | 113 | V304 E305 L306 Q312 T374 | V304-S308 PolarHBondContact O-N 2.73Å; E305-S308 WeakPolarHBondContact O-CB 3.5Å; E305-S308 PolarHBondContact O-N 2.91Å; E305-S308 VanDerWaalsContact O-N 3.17Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.38Å; S308-Q312 WeakPolarHBondContact O-CB 3.39Å; S308-Q312 VanDerWaalsContact O-CG 3.25Å; S308-Q312 WeakPolarHBondContact O-CG 3.48Å; S308-Q312 PolarHBondContact O-N 2.85Å; S308-Q312 VanDerWaalsContact O-N 3.07Å; S308-T374 VanDerWaalsContact CA-OG1 3.23Å; S308-T374 WeakPolarHBondContact CA-OG1 3.39Å; S308-T374 VanDerWaalsContact CB-OG1 3.32Å; S308-T374 WeakPolarHBondContact CB-OG1 3.46Å; S308-T374 VanDerWaalsContact OG-CG2 3.3Å; S308-T374 WeakPolarHBondContact OG-CG2 3.42Å; S308-T374 PolarHBondContact OG-OG1 3.4Å; S308-T374 VanDerWaalsContact OG-OG1 3.07Å |
| 309 | V | 91.6 | Very high | 89 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | E305 L306 H307 Q312 N313 | E305-V309 WeakPolarHBondContact O-CG2 3.31Å; E305-V309 PolarHBondContact O-N 3.41Å; L306-V309 PolarHBondContact O-N 3.28Å; H307-V309 VanDerWaalsContact C-N 3.31Å; H307-V309 PolarHBondContact O-N 3.3Å; V309-Q312 PolarHBondContact O-N 3.32Å; V309-N313 VanDerWaalsContact O-CG 3.25Å; V309-N313 PolarHBondContact O-N 2.84Å; V309-N313 VanDerWaalsContact O-N 3.08Å; V309-N313 PolarHBondContact O-ND2 2.84Å |
| 310 | N | 89.9 | Confident | 88.5 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 178.1 | -74.9 | -22.1 | 0 | 0 | 0 | 111.8 | L306 H307 Q312 N313 G314 V315 C320 | L306-N310 WeakPolarHBondContact O-CB 3.44Å; L306-N310 VanDerWaalsContact O-CG 3.32Å; L306-N310 PolarHBondContact O-N 3.45Å; L306-N310 PolarHBondContact O-ND2 3.02Å; H307-N310 PolarHBondContact O-N 3.36Å; N310-Q312 PolarHBondContact O-N 2.93Å; N310-N313 CarbonylContact O-C 3.6Å; N310-N313 PolarHBondContact O-N 3.22Å; N310-N313 VanDerWaalsContact O-N 3.1Å; N310-G314 PolarHBondContact O-N 2.92Å; N310-V315 HydrophobicContact CB-CB 4.11Å; N310-V315 HydrophobicContact CB-CG2 4.43Å; N310-V315 WeakPolarHBondContact O-CB 3.27Å; N310-V315 PolarHBondContact O-N 2.89Å; N310-C320 VanDerWaalsContact CB-SG 3.59Å |
| 311 | L | 87.4 | Confident | 87.8 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.8 | -174 | 66.1 | 0 | 0 | 0 | 111.6 | H307 N313 G314 D380 | H307-L311 WeakPolarHBondContact O-CB 3.43Å; H307-L311 PolarHBondContact O-N 3.22Å; L311-N313 PolarHBondContact O-N 2.89Å; L311-G314 PolarHBondContact O-N 3.23Å; L311-D380 HydrophobicContact CD1-CB 3.84Å; L311-D380 HydrophobicContact CD2-CB 4.2Å |
| 312 | Q | 88.5 | Confident | 87.3 | Confident | 153 Ų | 153 | 67.6 Ų | 67.6 | 72% | 0.715 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.5 | -29.6 | 174.6 | -74.1 | 173.9 | 16.7 | 0 | 0 | 112.9 | S308 V309 N310 G314 | S308-Q312 WeakPolarHBondContact O-CB 3.39Å; S308-Q312 VanDerWaalsContact O-CG 3.25Å; S308-Q312 WeakPolarHBondContact O-CG 3.48Å; S308-Q312 PolarHBondContact O-N 2.85Å; S308-Q312 VanDerWaalsContact O-N 3.07Å; V309-Q312 PolarHBondContact O-N 3.32Å; N310-Q312 PolarHBondContact O-N 2.93Å; Q312-G314 VanDerWaalsContact C-N 3.3Å |
| 313 | N | 88.3 | Confident | 87 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.1 | 175.9 | -67.9 | -33.5 | 0 | 0 | 0 | 113.6 | V309 N310 L311 V315 | V309-N313 VanDerWaalsContact O-CG 3.25Å; V309-N313 PolarHBondContact O-N 2.84Å; V309-N313 VanDerWaalsContact O-N 3.08Å; V309-N313 PolarHBondContact O-ND2 2.84Å; N310-N313 CarbonylContact O-C 3.6Å; N310-N313 PolarHBondContact O-N 3.22Å; N310-N313 VanDerWaalsContact O-N 3.1Å; L311-N313 PolarHBondContact O-N 2.89Å; N313-V315 HydrophobicContact CB-CG2 4.33Å |
| 314 | G | 84.9 | Confident | 86.9 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 68% | 0.68 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 21.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N310 L311 Q312 | N310-G314 PolarHBondContact O-N 2.92Å; L311-G314 PolarHBondContact O-N 3.23Å; Q312-G314 VanDerWaalsContact C-N 3.3Å |
| 315 | V | 86.1 | Confident | 86.9 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 26% | 0.261 | 36% | 0.359 | S | S | . | . | trans | -77.5 | 133.4 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 109 | N310 N313 E319 | N310-V315 HydrophobicContact CB-CB 4.11Å; N310-V315 HydrophobicContact CB-CG2 4.43Å; N310-V315 WeakPolarHBondContact O-CB 3.27Å; N310-V315 PolarHBondContact O-N 2.89Å; N313-V315 HydrophobicContact CB-CG2 4.33Å; V315-E319 HydrophobicContact CG1-CB 3.73Å | ||
| 316 | Q | 83.2 | Confident | 86.9 | Confident | 118 Ų | 118 | 64.3 Ų | 64.3 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | trans | -69.1 | 151.3 | 177.3 | -65.3 | -169.7 | -16.4 | 0 | 0 | 111.1 | N318 E319 C320 | Q316-N318 VanDerWaalsContact C-N 3.3Å; Q316-N318 WeakPolarHBondContact CB-OD1 3.4Å; Q316-N318 PolarHBondContact O-N 3.41Å; Q316-E319 HydrophobicContact CB-CG 4.35Å; Q316-E319 WeakPolarHBondContact O-CA 3.37Å; Q316-E319 WeakPolarHBondContact O-CB 3.31Å; Q316-E319 PolarHBondContact O-N 3Å; Q316-C320 PolarHBondContact O-N 3.05Å | ||
| 317 | W | 83.2 | Confident | 86.9 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 10% | 0.095 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -52.7 | -44.4 | -176.4 | 177 | -126.3 | 0 | 0 | 0 | 113.9 | H307 E319 C320 Y323 L326 L373 D380 E381 D382 I383 | H307-W317 AromaticContact CE1-CE3 3.41Å; H307-W317 VanDerWaalsContact CE1-CE3 3.41Å; H307-W317 AromaticContact CE1-CZ3 3.45Å; H307-W317 VanDerWaalsContact CE1-CZ3 3.45Å; H307-W317 WeakPolarHBondContact CE1-CZ3 3.43Å; H307-W317 AromaticContact CG-CZ3 3.81Å; H307-W317 AromaticContact ND1-CE3 3.48Å; H307-W317 AromaticContact ND1-CZ3 3.24Å; H307-W317 WeakPolarHBondContact ND1-CZ3 3.36Å; W317-E319 PolarHBondContact O-N 2.8Å; W317-C320 WeakPolarHBondContact O-CB 3.2Å; W317-C320 PolarHBondContact O-N 3.09Å; W317-Y323 HydrophobicContact CD2-CD2 4.03Å; W317-Y323 HydrophobicContact CD2-CE2 4.33Å; W317-Y323 AromaticContact CE2-CD2 3.4Å; W317-Y323 VanDerWaalsContact CE2-CD2 3.4Å; W317-Y323 AromaticContact CE2-CE2 3.39Å; W317-Y323 HydrophobicContact CE3-CD2 4.47Å; W317-Y323 AromaticContact CH2-CD2 3.86Å; W317-Y323 HydrophobicContact CH2-CD2 3.86Å; W317-Y323 HydrophobicContact CH2-CE2 4.38Å; W317-Y323 AromaticContact CZ2-CD2 3.32Å; W317-Y323 HydrophobicContact CZ2-CD2 3.32Å; W317-Y323 AromaticContact CZ2-CE2 3.42Å; W317-Y323 HydrophobicContact CZ2-CE2 3.42Å; W317-Y323 VanDerWaalsContact CZ2-CE2 3.42Å; W317-Y323 HydrophobicContact CZ3-CD2 4.38Å; W317-Y323 AromaticContact NE1-CD2 3.74Å; W317-Y323 AromaticContact NE1-CE2 3.28Å; W317-Y323 VanDerWaalsContact NE1-CE2 3.28Å; W317-L326 HydrophobicContact CH2-CD2 4.22Å; W317-L373 HydrophobicContact CH2-CD2 3.93Å; W317-L373 HydrophobicContact CZ3-CD2 4.24Å; W317-D380 WeakPolarHBondContact CB-O 3.23Å; W317-E381 HydrophobicContact CD2-CB 4.14Å; W317-E381 HydrophobicContact CE3-CB 4.06Å; W317-E381 HydrophobicContact CH2-CB 4.21Å; W317-E381 HydrophobicContact CZ2-CB 4.27Å; W317-E381 HydrophobicContact CZ3-CB 4.11Å; W317-D382 VanDerWaalsContact CE2-OD1 3.24Å; W317-D382 WeakPolarHBondContact CZ2-OD1 3.25Å; W317-D382 PolarHBondContact NE1-OD1 2.81Å; W317-D382 PolarHBondContact NE1-OD2 3.43Å; W317-I383 HydrophobicContact CH2-CD1 3.57Å; W317-I383 HydrophobicContact CH2-CG1 3.9Å; W317-I383 HydrophobicContact CZ2-CD1 3.71Å; W317-I383 HydrophobicContact CZ2-CG1 3.61Å |
| 318 | N | 81 | Confident | 87 | Confident | 113 Ų | 113 | 66.8 Ų | 66.8 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -69.4 | -15 | 177.2 | 60.2 | -14.9 | 0 | 0 | 0 | 114.3 | Q316 | Q316-N318 VanDerWaalsContact C-N 3.3Å; Q316-N318 WeakPolarHBondContact CB-OD1 3.4Å; Q316-N318 PolarHBondContact O-N 3.41Å |
| 319 | E | 84.1 | Confident | 87.2 | Confident | 128 Ų | 128 | 66 Ų | 66 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -100.5 | -6.5 | 178.2 | -63.7 | -178.3 | 164 | 0 | 0 | 112.6 | V315 Q316 W317 K321 | V315-E319 HydrophobicContact CG1-CB 3.73Å; Q316-E319 HydrophobicContact CB-CG 4.35Å; Q316-E319 WeakPolarHBondContact O-CA 3.37Å; Q316-E319 WeakPolarHBondContact O-CB 3.31Å; Q316-E319 PolarHBondContact O-N 3Å; W317-E319 PolarHBondContact O-N 2.8Å; E319-K321 PolarHBondContact O-N 3.38Å |
| 320 | C | 81.3 | Confident | 87.3 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | trans | -61.3 | 119.6 | 179.4 | -78 | 0 | 0 | 0 | 0 | 111.2 | N310 Q316 W317 G322 Y323 | N310-C320 VanDerWaalsContact CB-SG 3.59Å; Q316-C320 PolarHBondContact O-N 3.05Å; W317-C320 WeakPolarHBondContact O-CB 3.2Å; W317-C320 PolarHBondContact O-N 3.09Å; C320-G322 PolarHBondContact O-N 3.39Å; C320-Y323 WeakPolarHBondContact O-CB 3.32Å; C320-Y323 PolarHBondContact O-N 2.93Å | ||
| 321 | K | 79.2 | Confident | 87.5 | Confident | 172 Ų | 172 | 64.1 Ų | 64.1 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 129.4 | 167.1 | -69.7 | -172.7 | 178.3 | -175.2 | 0 | 109.2 | L306 E319 | L306-K321 WeakPolarHBondContact CD2-O 3.34Å; E319-K321 PolarHBondContact O-N 3.38Å |
| 322 | G | 83.3 | Confident | 87.8 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 0.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C320 E324 A325 L326 | C320-G322 PolarHBondContact O-N 3.39Å; G322-E324 PolarHBondContact O-N 3.16Å; G322-A325 PolarHBondContact O-N 2.84Å; G322-L326 WeakPolarHBondContact O-CB 3.41Å; G322-L326 PolarHBondContact O-N 3.38Å |
| 323 | Y | 86.4 | Confident | 88.1 | Confident | 65 Ų | 65 | 55 Ų | 55 | 26% | 0.255 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -50.6 | -53.9 | 174.3 | 161.9 | -109.4 | 0 | 0 | 0 | 111.8 | W317 C320 A325 L326 N327 | W317-Y323 HydrophobicContact CD2-CD2 4.03Å; W317-Y323 HydrophobicContact CD2-CE2 4.33Å; W317-Y323 AromaticContact CE2-CD2 3.4Å; W317-Y323 VanDerWaalsContact CE2-CD2 3.4Å; W317-Y323 AromaticContact CE2-CE2 3.39Å; W317-Y323 HydrophobicContact CE3-CD2 4.47Å; W317-Y323 AromaticContact CH2-CD2 3.86Å; W317-Y323 HydrophobicContact CH2-CD2 3.86Å; W317-Y323 HydrophobicContact CH2-CE2 4.38Å; W317-Y323 AromaticContact CZ2-CD2 3.32Å; W317-Y323 HydrophobicContact CZ2-CD2 3.32Å; W317-Y323 AromaticContact CZ2-CE2 3.42Å; W317-Y323 HydrophobicContact CZ2-CE2 3.42Å; W317-Y323 VanDerWaalsContact CZ2-CE2 3.42Å; W317-Y323 HydrophobicContact CZ3-CD2 4.38Å; W317-Y323 AromaticContact NE1-CD2 3.74Å; W317-Y323 AromaticContact NE1-CE2 3.28Å; W317-Y323 VanDerWaalsContact NE1-CE2 3.28Å; C320-Y323 WeakPolarHBondContact O-CB 3.32Å; C320-Y323 PolarHBondContact O-N 2.93Å; Y323-A325 VanDerWaalsContact C-N 3.33Å; Y323-A325 PolarHBondContact O-N 3.44Å; Y323-L326 PolarHBondContact O-N 3.29Å; Y323-N327 HydrophobicContact CE2-CB 4.19Å; Y323-N327 WeakPolarHBondContact O-CB 3.28Å; Y323-N327 PolarHBondContact O-N 3.49Å; Y323-N327 PolarHBondContact OH-ND2 2.96Å; Y323-N327 VanDerWaalsContact OH-ND2 3.08Å |
| 324 | E | 90 | Very high | 88.4 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | -177.9 | -170 | 178.3 | 177.7 | 0 | 0 | 111.5 | L259 G322 L326 K328 | L259-E324 HydrophobicContact CD2-CB 4.2Å; L259-E324 HydrophobicContact CD2-CG 3.92Å; G322-E324 PolarHBondContact O-N 3.16Å; E324-L326 PolarHBondContact O-N 2.95Å; E324-K328 HydrophobicContact CG-CG 4.29Å; E324-K328 VanDerWaalsContact O-CB 3.3Å; E324-K328 WeakPolarHBondContact O-CB 3.3Å; E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 3.32Å |
| 325 | A | 91 | Very high | 88.7 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y258 L259 L303 G322 Y323 T329 | Y258-A325 HydrophobicContact CD1-CB 4.12Å; Y258-A325 HydrophobicContact CE1-CB 3.99Å; L259-A325 HydrophobicContact CD2-CB 3.92Å; L303-A325 HydrophobicContact CD1-CB 4.07Å; L303-A325 HydrophobicContact CD2-CB 4.22Å; G322-A325 PolarHBondContact O-N 2.84Å; Y323-A325 VanDerWaalsContact C-N 3.33Å; Y323-A325 PolarHBondContact O-N 3.44Å; A325-T329 WeakPolarHBondContact O-CB 3.35Å; A325-T329 PolarHBondContact O-N 3.11Å; A325-T329 PolarHBondContact O-OG1 2.85Å |
| 326 | L | 92.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.7 | -50.6 | 179 | -175.3 | 56.1 | 0 | 0 | 0 | 111.2 | L300 L303 V304 W317 G322 Y323 E324 K328 T329 V330 L373 I383 | L300-L326 HydrophobicContact CD1-CD1 3.45Å; L300-L326 VanDerWaalsContact CD1-CD1 3.45Å; L303-L326 HydrophobicContact CB-CB 4.22Å; L303-L326 HydrophobicContact CB-CD1 3.91Å; L303-L326 HydrophobicContact CB-CG 4.42Å; L303-L326 HydrophobicContact CD1-CB 4.31Å; V304-L326 HydrophobicContact CG2-CD1 4.16Å; W317-L326 HydrophobicContact CH2-CD2 4.22Å; G322-L326 WeakPolarHBondContact O-CB 3.41Å; G322-L326 PolarHBondContact O-N 3.38Å; Y323-L326 PolarHBondContact O-N 3.29Å; E324-L326 PolarHBondContact O-N 2.95Å; L326-K328 PolarHBondContact O-N 2.94Å; L326-T329 WeakPolarHBondContact O-CB 3.41Å; L326-T329 PolarHBondContact O-N 3.2Å; L326-T329 VanDerWaalsContact O-N 3.16Å; L326-V330 HydrophobicContact CD1-CG2 4.32Å; L326-V330 WeakPolarHBondContact O-CG2 3.36Å; L326-V330 PolarHBondContact O-N 3.28Å; L326-L373 HydrophobicContact CD2-CD2 3.91Å; L326-L373 HydrophobicContact CD2-CG 4.44Å; L326-I383 HydrophobicContact CB-CD1 4.25Å; L326-I383 HydrophobicContact CD1-CD1 4.49Å; L326-I383 HydrophobicContact CD2-CD1 3.75Å; L326-I383 HydrophobicContact CG-CD1 3.47Å; L326-I383 VanDerWaalsContact CG-CD1 3.47Å |
| 327 | N | 92.2 | Very high | 89.3 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 179.1 | -173.6 | -8.6 | 0 | 0 | 0 | 111.1 | Y323 T329 V330 L331 | Y323-N327 HydrophobicContact CE2-CB 4.19Å; Y323-N327 WeakPolarHBondContact O-CB 3.28Å; Y323-N327 PolarHBondContact O-N 3.49Å; Y323-N327 PolarHBondContact OH-ND2 2.96Å; Y323-N327 VanDerWaalsContact OH-ND2 3.08Å; N327-T329 VanDerWaalsContact C-N 3.34Å; N327-T329 PolarHBondContact O-N 2.72Å; N327-V330 PolarHBondContact O-N 2.92Å; N327-L331 WeakPolarHBondContact O-CB 3.41Å; N327-L331 PolarHBondContact O-N 3.21Å |
| 328 | K | 93.3 | Very high | 89.6 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 27% | 0.27 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.3 | -35.6 | 177.9 | -66.2 | -67.1 | -172.5 | 172.7 | 0 | 113 | I262 N263 I266 E324 L326 L331 L332 | I262-K328 HydrophobicContact CG2-CB 3.66Å; I262-K328 WeakPolarHBondContact CG2-O 3.39Å; N263-K328 WeakPolarHBondContact OD1-CD 3.5Å; N263-K328 WeakPolarHBondContact OD1-CE 3.49Å; N263-K328 PolarHBondContact OD1-NZ 3.31Å; I266-K328 HydrophobicContact CD1-CB 4.35Å; I266-K328 HydrophobicContact CD1-CD 4Å; E324-K328 HydrophobicContact CG-CG 4.29Å; E324-K328 VanDerWaalsContact O-CB 3.3Å; E324-K328 WeakPolarHBondContact O-CB 3.3Å; E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 3.32Å; L326-K328 PolarHBondContact O-N 2.94Å; K328-L331 PolarHBondContact O-N 3.37Å; K328-L332 PolarHBondContact O-N 3.25Å |
| 329 | T | 94.1 | Very high | 89.8 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 174.6 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | Y258 I262 L300 A325 L326 N327 L332 L333 | Y258-T329 PolarHBondContact OH-OG1 3.35Å; Y258-T329 VanDerWaalsContact OH-OG1 3.05Å; I262-T329 WeakPolarHBondContact CD1-OG1 3.47Å; L300-T329 HydrophobicContact CD1-CG2 4.04Å; A325-T329 WeakPolarHBondContact O-CB 3.35Å; A325-T329 PolarHBondContact O-N 3.11Å; A325-T329 PolarHBondContact O-OG1 2.85Å; L326-T329 WeakPolarHBondContact O-CB 3.41Å; L326-T329 PolarHBondContact O-N 3.2Å; L326-T329 VanDerWaalsContact O-N 3.16Å; N327-T329 VanDerWaalsContact C-N 3.34Å; N327-T329 PolarHBondContact O-N 2.72Å; T329-L332 PolarHBondContact O-N 2.96Å; T329-L333 WeakPolarHBondContact O-CG 3.29Å; T329-L333 PolarHBondContact O-N 3.19Å; T329-L333 VanDerWaalsContact O-N 3.16Å |
| 330 | V | 94 | Very high | 89.9 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | 178.3 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | L326 N327 L332 L333 S334 T370 I383 V386 I390 | L326-V330 HydrophobicContact CD1-CG2 4.32Å; L326-V330 WeakPolarHBondContact O-CG2 3.36Å; L326-V330 PolarHBondContact O-N 3.28Å; N327-V330 PolarHBondContact O-N 2.92Å; V330-L332 PolarHBondContact O-N 3.34Å; V330-L333 WeakPolarHBondContact O-CB 3.36Å; V330-L333 PolarHBondContact O-N 3.06Å; V330-S334 PolarHBondContact O-N 3.23Å; V330-T370 HydrophobicContact CB-CG2 4.2Å; V330-T370 HydrophobicContact CG1-CG2 3.92Å; V330-T370 HydrophobicContact CG2-CG2 3.49Å; V330-T370 VanDerWaalsContact CG2-CG2 3.49Å; V330-I383 HydrophobicContact CB-CG2 4.03Å; V330-I383 HydrophobicContact CG1-CG2 3.84Å; V330-I383 HydrophobicContact CG2-CD1 4.42Å; V330-I383 HydrophobicContact CG2-CG2 3.65Å; V330-V386 HydrophobicContact CG1-CB 4.11Å; V330-V386 HydrophobicContact CG1-CG1 3.82Å; V330-I390 HydrophobicContact CG1-CD1 4.16Å |
| 331 | L | 94.3 | Very high | 90.3 | Very high | 55 Ų | 55 | 37.6 Ų | 37.6 | 29% | 0.288 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59 | -44.5 | 173.9 | -179.7 | 59 | 0 | 0 | 0 | 112 | I266 N327 K328 L333 S334 I335 | I266-L331 HydrophobicContact CD1-CB 4.46Å; I266-L331 HydrophobicContact CD1-CD2 4.06Å; I266-L331 HydrophobicContact CD1-CG 4.28Å; N327-L331 WeakPolarHBondContact O-CB 3.41Å; N327-L331 PolarHBondContact O-N 3.21Å; K328-L331 PolarHBondContact O-N 3.37Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 3.04Å; L331-S334 WeakPolarHBondContact O-CB 3.27Å; L331-S334 PolarHBondContact O-N 3.13Å; L331-S334 VanDerWaalsContact O-N 3.15Å; L331-I335 HydrophobicContact CD1-CD1 4.25Å; L331-I335 HydrophobicContact CD1-CG1 4.45Å; L331-I335 HydrophobicContact CG-CD1 4.06Å; L331-I335 WeakPolarHBondContact O-CG1 3.4Å; L331-I335 PolarHBondContact O-N 3.24Å |
| 332 | L | 94.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 175.2 | -179.8 | 64.4 | 0 | 0 | 0 | 112.2 | I262 L265 I266 F269 L293 K328 T329 V330 S334 I335 L336 | I262-L332 HydrophobicContact CG2-CB 4.43Å; I262-L332 HydrophobicContact CG2-CD2 4.48Å; L265-L332 HydrophobicContact CB-CD1 3.87Å; L265-L332 HydrophobicContact CB-CD2 3.99Å; L265-L332 HydrophobicContact CD1-CD2 4.04Å; I266-L332 HydrophobicContact CG1-CB 4Å; I266-L332 HydrophobicContact CG1-CD1 4.04Å; F269-L332 HydrophobicContact CB-CD1 4.45Å; F269-L332 HydrophobicContact CD2-CD1 3.48Å; F269-L332 VanDerWaalsContact CD2-CD1 3.48Å; F269-L332 HydrophobicContact CD2-CG 4.48Å; F269-L332 HydrophobicContact CE2-CD1 3.85Å; F269-L332 HydrophobicContact CG-CD1 3.92Å; L293-L332 HydrophobicContact CD2-CD2 3.68Å; L293-L332 HydrophobicContact CD2-CG 4.48Å; K328-L332 PolarHBondContact O-N 3.25Å; T329-L332 PolarHBondContact O-N 2.96Å; V330-L332 PolarHBondContact O-N 3.34Å; L332-S334 VanDerWaalsContact C-N 3.33Å; L332-I335 PolarHBondContact O-N 3.37Å; L332-L336 PolarHBondContact O-N 2.88Å |
| 333 | L | 94.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 175.5 | -69.2 | 177.7 | 0 | 0 | 0 | 112 | L300 T329 V330 L331 L336 S337 L363 M366 F367 T370 I390 | L300-L333 HydrophobicContact CD2-CD1 4.02Å; T329-L333 WeakPolarHBondContact O-CG 3.29Å; T329-L333 PolarHBondContact O-N 3.19Å; T329-L333 VanDerWaalsContact O-N 3.16Å; V330-L333 WeakPolarHBondContact O-CB 3.36Å; V330-L333 PolarHBondContact O-N 3.06Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 3.04Å; L333-L336 PolarHBondContact O-N 3.28Å; L333-S337 WeakPolarHBondContact O-CB 3.11Å; L333-S337 PolarHBondContact O-N 2.97Å; L333-L363 HydrophobicContact CD2-CD1 3.9Å; L333-M366 HydrophobicContact CD1-CB 4.21Å; L333-M366 HydrophobicContact CD1-CE 4.41Å; L333-M366 HydrophobicContact CD2-CE 4.29Å; L333-F367 HydrophobicContact CB-CD1 4.09Å; L333-F367 HydrophobicContact CB-CE1 3.89Å; L333-F367 HydrophobicContact CD1-CD1 4.45Å; L333-F367 HydrophobicContact CD2-CD1 4.32Å; L333-F367 HydrophobicContact CD2-CE1 3.92Å; L333-F367 HydrophobicContact CG-CE1 4.39Å; L333-T370 HydrophobicContact CD1-CG2 3.78Å; L333-I390 HydrophobicContact CB-CD1 4.07Å |
| 334 | S | 94.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -49.8 | 174.2 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | V330 L331 L332 L336 S337 E338 | V330-S334 PolarHBondContact O-N 3.23Å; L331-S334 WeakPolarHBondContact O-CB 3.27Å; L331-S334 PolarHBondContact O-N 3.13Å; L331-S334 VanDerWaalsContact O-N 3.15Å; L332-S334 VanDerWaalsContact C-N 3.33Å; S334-L336 VanDerWaalsContact C-N 3.32Å; S334-L336 PolarHBondContact O-N 2.59Å; S334-S337 WeakPolarHBondContact O-CB 3.26Å; S334-S337 PolarHBondContact O-N 2.89Å; S334-S337 VanDerWaalsContact O-N 3.09Å; S334-S337 PolarHBondContact O-OG 3.15Å; S334-E338 PolarHBondContact O-N 3.46Å |
| 335 | I | 90.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 28.3 Ų | 28.3 | 5% | 0.046 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 178 | -64.5 | 158 | 0 | 0 | 0 | 110.7 | I266 F269 E270 L331 L332 S337 E338 K339 | I266-I335 HydrophobicContact CB-CD1 4.38Å; I266-I335 HydrophobicContact CG1-CD1 4.26Å; I266-I335 HydrophobicContact CG2-CD1 3.75Å; F269-I335 HydrophobicContact CB-CG2 3.79Å; E270-I335 HydrophobicContact CG-CD1 3.81Å; E270-I335 HydrophobicContact CG-CG1 4.38Å; E270-I335 HydrophobicContact CG-CG2 4.31Å; L331-I335 HydrophobicContact CD1-CD1 4.25Å; L331-I335 HydrophobicContact CD1-CG1 4.45Å; L331-I335 HydrophobicContact CG-CD1 4.06Å; L331-I335 WeakPolarHBondContact O-CG1 3.4Å; L331-I335 PolarHBondContact O-N 3.24Å; L332-I335 PolarHBondContact O-N 3.37Å; I335-S337 VanDerWaalsContact C-N 3.31Å; I335-S337 PolarHBondContact O-N 3.15Å; I335-E338 PolarHBondContact O-N 3.19Å; I335-K339 HydrophobicContact CG2-CG 4.37Å; I335-K339 VanDerWaalsContact O-CG 3.25Å; I335-K339 WeakPolarHBondContact O-CG 3.5Å; I335-K339 PolarHBondContact O-N 3.42Å; I335-K339 VanDerWaalsContact O-N 3.08Å |
| 336 | L | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 175.2 | 179.7 | 64.7 | 0 | 0 | 0 | 111.8 | F269 L276 L286 L293 L332 L333 S334 K339 Q340 L363 F367 | F269-L336 HydrophobicContact CD2-CB 4.42Å; F269-L336 HydrophobicContact CE2-CB 4.29Å; F269-L336 HydrophobicContact CE2-CD1 4.12Å; L276-L336 HydrophobicContact CD2-CD1 3.88Å; L286-L336 HydrophobicContact CD1-CD1 3.95Å; L293-L336 HydrophobicContact CD1-CD2 3.77Å; L332-L336 PolarHBondContact O-N 2.88Å; L333-L336 PolarHBondContact O-N 3.28Å; S334-L336 VanDerWaalsContact C-N 3.32Å; S334-L336 PolarHBondContact O-N 2.59Å; L336-K339 PolarHBondContact O-N 2.94Å; L336-Q340 HydrophobicContact CD1-CB 4.44Å; L336-Q340 PolarHBondContact O-N 3.47Å; L336-L363 HydrophobicContact CD2-CD1 3.97Å; L336-L363 HydrophobicContact CD2-CD2 3.92Å; L336-F367 HydrophobicContact CD2-CZ 4.5Å |
| 337 | S | 91.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 178.3 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | L333 S334 I335 K339 M341 N393 | L333-S337 WeakPolarHBondContact O-CB 3.11Å; L333-S337 PolarHBondContact O-N 2.97Å; S334-S337 WeakPolarHBondContact O-CB 3.26Å; S334-S337 PolarHBondContact O-N 2.89Å; S334-S337 VanDerWaalsContact O-N 3.09Å; S334-S337 PolarHBondContact O-OG 3.15Å; I335-S337 VanDerWaalsContact C-N 3.31Å; I335-S337 PolarHBondContact O-N 3.15Å; S337-K339 VanDerWaalsContact C-N 3.3Å; S337-K339 PolarHBondContact O-N 3.15Å; S337-M341 VanDerWaalsContact CB-CE 3.42Å; S337-M341 WeakPolarHBondContact O-CB 3.28Å; S337-M341 PolarHBondContact O-N 2.85Å; S337-M341 VanDerWaalsContact O-N 3.13Å; S337-N393 PolarHBondContact OG-ND2 2.96Å |
| 338 | E | 88.8 | Confident | 88 | Confident | 132 Ų | 132 | 33.2 Ų | 33.2 | 62% | 0.617 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -61.3 | -40.8 | 179.5 | -173.3 | -172.7 | 157 | 0 | 0 | 111.6 | S334 I335 N393 | S334-E338 PolarHBondContact O-N 3.46Å; I335-E338 PolarHBondContact O-N 3.19Å; E338-N393 PolarHBondContact N-ND2 3.4Å |
| 339 | K | 84.8 | Confident | 86.9 | Confident | 64 Ų | 64 | 30.5 Ų | 30.5 | 28% | 0.278 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -81.6 | -33.7 | -174.1 | -63.1 | -73.1 | -177.2 | 160.5 | 0 | 113.9 | D272 I335 L336 S337 | D272-K339 WeakPolarHBondContact OD1-CE 3.37Å; D272-K339 IonicContact OD1-NZ 3.82Å; D272-K339 PolarHBondContact OD1-NZ 3.45Å; I335-K339 HydrophobicContact CG2-CG 4.37Å; I335-K339 VanDerWaalsContact O-CG 3.25Å; I335-K339 WeakPolarHBondContact O-CG 3.5Å; I335-K339 PolarHBondContact O-N 3.42Å; I335-K339 VanDerWaalsContact O-N 3.08Å; L336-K339 PolarHBondContact O-N 2.94Å; S337-K339 VanDerWaalsContact C-N 3.3Å; S337-K339 PolarHBondContact O-N 3.15Å |
| 340 | Q | 87.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -132.9 | 6.7 | -164.1 | -67.1 | -63.6 | -65 | 0 | 0 | 115.8 | L276 L286 L336 D342 Y343 L344 | L276-Q340 HydrophobicContact CD2-CG 4.17Å; L276-Q340 PolarHBondContact O-NE2 3.46Å; L276-Q340 PolarHBondContact O-OE1 3.36Å; L286-Q340 HydrophobicContact CD1-CB 4.24Å; L286-Q340 HydrophobicContact CD1-CG 4.04Å; L286-Q340 HydrophobicContact CD2-CB 4.24Å; L286-Q340 HydrophobicContact CD2-CG 4.35Å; L336-Q340 HydrophobicContact CD1-CB 4.44Å; L336-Q340 PolarHBondContact O-N 3.47Å; Q340-D342 PolarHBondContact O-N 3.04Å; Q340-Y343 PolarHBondContact O-N 3.45Å; Q340-Y343 VanDerWaalsContact O-N 3.13Å; Q340-L344 WeakPolarHBondContact O-CG 3.44Å; Q340-L344 PolarHBondContact O-N 3.17Å |
| 341 | M | 88.8 | Confident | 83.7 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.034 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -38.7 | -173.6 | -169.4 | 60.7 | 65.5 | 0 | 0 | 114.2 | S337 Y343 L344 I345 F364 F367 N393 I394 A397 | S337-M341 VanDerWaalsContact CB-CE 3.42Å; S337-M341 WeakPolarHBondContact O-CB 3.28Å; S337-M341 PolarHBondContact O-N 2.85Å; S337-M341 VanDerWaalsContact O-N 3.13Å; M341-Y343 VanDerWaalsContact C-N 3.27Å; M341-Y343 PolarHBondContact O-N 3.41Å; M341-L344 PolarHBondContact O-N 3.45Å; M341-L344 HydrophobicContact SD-CB 4.35Å; M341-I345 HydrophobicContact CG-CG1 3.94Å; M341-I345 WeakPolarHBondContact O-CB 3.43Å; M341-I345 WeakPolarHBondContact O-CG1 3.31Å; M341-I345 PolarHBondContact O-N 2.52Å; M341-I345 HydrophobicContact SD-CD1 4.25Å; M341-I345 HydrophobicContact SD-CG1 3.9Å; M341-F364 HydrophobicContact SD-CE1 4.07Å; M341-F364 HydrophobicContact SD-CZ 3.92Å; M341-F367 HydrophobicContact CE-CD2 4.23Å; M341-F367 HydrophobicContact CE-CE2 3.66Å; M341-F367 HydrophobicContact CE-CZ 4.1Å; M341-N393 HydrophobicContact CB-CB 4.35Å; M341-N393 HydrophobicContact CG-CB 4.45Å; M341-N393 WeakPolarHBondContact CG-O 3.33Å; M341-I394 HydrophobicContact CE-CB 4.5Å; M341-I394 HydrophobicContact CE-CD1 4.21Å; M341-I394 HydrophobicContact CE-CG1 3.34Å; M341-I394 HydrophobicContact CG-CG1 4.3Å; M341-I394 HydrophobicContact SD-CB 4.35Å; M341-I394 HydrophobicContact SD-CG1 3.58Å; M341-I394 VanDerWaalsContact SD-CG1 3.58Å; M341-A397 HydrophobicContact CB-CB 4.13Å; M341-A397 HydrophobicContact CG-CB 3.62Å |
| 342 | D | 81.6 | Confident | 81.6 | Confident | 100 Ų | 100 | 39 Ų | 39 | 54% | 0.535 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.3 | -43.3 | 175.6 | -80.8 | -40.1 | 0 | 0 | 0 | 111.9 | Q340 H346 A397 S400 | Q340-D342 PolarHBondContact O-N 3.04Å; D342-H346 VanDerWaalsContact O-CB 3.28Å; D342-H346 WeakPolarHBondContact O-CB 3.35Å; D342-H346 PolarHBondContact O-N 3.34Å; D342-A397 WeakPolarHBondContact OD1-CA 3.35Å; D342-A397 WeakPolarHBondContact OD1-CB 3.43Å; D342-S400 PolarHBondContact OD1-OG 3.03Å |
| 343 | Y | 80.7 | Confident | 79.6 | Confident | 56 Ų | 56 | 47 Ų | 47 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.3 | -43.3 | 178 | -173.3 | -88.8 | 0 | 0 | 0 | 111.6 | L286 Q340 M341 I345 H346 R347 | L286-Y343 HydrophobicContact CD2-CD1 3.32Å; L286-Y343 HydrophobicContact CD2-CE1 3.75Å; L286-Y343 HydrophobicContact CD2-CG 4.18Å; Q340-Y343 PolarHBondContact O-N 3.45Å; Q340-Y343 VanDerWaalsContact O-N 3.13Å; M341-Y343 VanDerWaalsContact C-N 3.27Å; M341-Y343 PolarHBondContact O-N 3.41Å; Y343-I345 PolarHBondContact O-N 2.88Å; Y343-H346 PolarHBondContact O-N 2.76Å; Y343-R347 HydrophobicContact CD1-CG 3.75Å; Y343-R347 HydrophobicContact CE1-CG 3.42Å; Y343-R347 VanDerWaalsContact CE1-CG 3.42Å; Y343-R347 HydrophobicContact CG-CG 4.49Å; Y343-R347 WeakPolarHBondContact O-CB 3.44Å; Y343-R347 VanDerWaalsContact O-CG 3.23Å; Y343-R347 WeakPolarHBondContact O-CG 3.33Å; Y343-R347 PolarHBondContact O-N 3.26Å |
| 344 | L | 86.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 178.9 | -67.8 | 173.2 | 0 | 0 | 0 | 111.9 | L286 V290 Q340 M341 R347 L348 L363 F364 | L286-L344 HydrophobicContact CD2-CD2 4.1Å; V290-L344 HydrophobicContact CG2-CD2 4.12Å; Q340-L344 WeakPolarHBondContact O-CG 3.44Å; Q340-L344 PolarHBondContact O-N 3.17Å; M341-L344 PolarHBondContact O-N 3.45Å; M341-L344 HydrophobicContact SD-CB 4.35Å; L344-R347 PolarHBondContact O-N 3.31Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 3.13Å; L344-L363 HydrophobicContact CD1-CD2 3.84Å; L344-L363 HydrophobicContact CD2-CD2 4.17Å; L344-F364 HydrophobicContact CB-CE2 4.39Å; L344-F364 HydrophobicContact CB-CZ 4.44Å |
| 345 | I | 83.5 | Confident | 76.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 175.7 | -67.2 | -70.5 | 0 | 0 | 0 | 111 | M341 Y343 R347 L348 S349 F364 I394 A397 T401 I415 | M341-I345 HydrophobicContact CG-CG1 3.94Å; M341-I345 WeakPolarHBondContact O-CB 3.43Å; M341-I345 WeakPolarHBondContact O-CG1 3.31Å; M341-I345 PolarHBondContact O-N 2.52Å; M341-I345 HydrophobicContact SD-CD1 4.25Å; M341-I345 HydrophobicContact SD-CG1 3.9Å; Y343-I345 PolarHBondContact O-N 2.88Å; I345-R347 VanDerWaalsContact C-N 3.25Å; I345-R347 PolarHBondContact O-N 3.48Å; I345-L348 WeakPolarHBondContact O-CB 3.5Å; I345-L348 PolarHBondContact O-N 2.93Å; I345-S349 PolarHBondContact O-N 3.34Å; I345-S349 PolarHBondContact O-OG 3.19Å; I345-F364 HydrophobicContact CD1-CE1 3.78Å; I345-F364 HydrophobicContact CD1-CZ 3.52Å; I345-F364 HydrophobicContact CG1-CZ 4.25Å; I345-I394 HydrophobicContact CD1-CG2 4.12Å; I345-A397 HydrophobicContact CB-CB 4.23Å; I345-A397 HydrophobicContact CG1-CB 3.75Å; I345-T401 HydrophobicContact CG2-CG2 4.4Å; I345-T401 WeakPolarHBondContact CG2-OG1 3.25Å; I345-I415 HydrophobicContact CG2-CD1 4.05Å |
| 346 | H | 78.2 | Confident | 74.8 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 39% | 0.394 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -31.9 | 175.8 | 177.2 | -90.4 | 0 | 0 | 0 | 112.7 | D342 Y343 S349 N350 | D342-H346 VanDerWaalsContact O-CB 3.28Å; D342-H346 WeakPolarHBondContact O-CB 3.35Å; D342-H346 PolarHBondContact O-N 3.34Å; Y343-H346 PolarHBondContact O-N 2.76Å; H346-S349 PolarHBondContact O-OG 2.95Å; H346-N350 PolarHBondContact CD2-ND2 3.23Å; H346-N350 PolarHBondContact CE1-ND2 3.16Å; H346-N350 PolarHBondContact ND1-ND2 3.37Å; H346-N350 PolarHBondContact NE2-ND2 2.85Å; H346-N350 WeakPolarHBondContact O-CB 3.4Å; H346-N350 PolarHBondContact O-N 3.23Å; H346-N350 PolarHBondContact O-ND2 3.39Å |
| 347 | R | 77.6 | Confident | 73.8 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.6 | -38.4 | 174.5 | -69.9 | -76.3 | -79.5 | 170.4 | -10.6 | 111.8 | D287 Y343 L344 I345 S349 N350 I360 | D287-R347 IonicContact OD1-NH2 2.64Å; D287-R347 IonicContact OD2-NH2 3.19Å; D287-R347 PolarHBondContact OD2-NH2 2.8Å; D287-R347 VanDerWaalsContact OD2-NH2 3.16Å; Y343-R347 HydrophobicContact CD1-CG 3.75Å; Y343-R347 HydrophobicContact CE1-CG 3.42Å; Y343-R347 VanDerWaalsContact CE1-CG 3.42Å; Y343-R347 HydrophobicContact CG-CG 4.49Å; Y343-R347 WeakPolarHBondContact O-CB 3.44Å; Y343-R347 VanDerWaalsContact O-CG 3.23Å; Y343-R347 WeakPolarHBondContact O-CG 3.33Å; Y343-R347 PolarHBondContact O-N 3.26Å; L344-R347 PolarHBondContact O-N 3.31Å; I345-R347 VanDerWaalsContact C-N 3.25Å; I345-R347 PolarHBondContact O-N 3.48Å; R347-S349 VanDerWaalsContact C-N 3.25Å; R347-S349 PolarHBondContact O-N 3.03Å; R347-N350 PolarHBondContact O-N 3.31Å; R347-I360 HydrophobicContact CB-CD1 3.64Å; R347-I360 HydrophobicContact CG-CD1 4.43Å |
| 348 | L | 78.7 | Confident | 73.4 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 173.5 | -170.1 | 77 | 0 | 0 | 0 | 111.5 | L344 I345 I360 H361 F364 A414 I415 I418 | L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 3.13Å; I345-L348 WeakPolarHBondContact O-CB 3.5Å; I345-L348 PolarHBondContact O-N 2.93Å; L348-I360 HydrophobicContact CB-CG2 4.48Å; L348-I360 HydrophobicContact CD1-CG2 4.13Å; L348-H361 VanDerWaalsContact CD1-CE1 3.46Å; L348-H361 WeakPolarHBondContact CD1-CE1 3.3Å; L348-F364 HydrophobicContact CB-CE2 4.33Å; L348-F364 HydrophobicContact CD1-CD2 4.16Å; L348-F364 HydrophobicContact CD1-CE2 4.26Å; L348-F364 HydrophobicContact CD2-CD2 4.34Å; L348-F364 HydrophobicContact CD2-CE2 4.02Å; L348-F364 HydrophobicContact CD2-CZ 4.16Å; L348-F364 HydrophobicContact CG-CE2 4.44Å; L348-A414 HydrophobicContact CD2-CB 4.43Å; L348-A414 HydrophobicContact CG-CB 4.29Å; L348-I415 HydrophobicContact CD2-CG1 4.09Å; L348-I418 HydrophobicContact CD1-CD1 4.49Å; L348-I418 HydrophobicContact CD2-CD1 3.32Å |
| 349 | S | 70.1 | Confident | 73.4 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -78 | -29.1 | 179.1 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | I345 H346 R347 S351 D411 | I345-S349 PolarHBondContact O-N 3.34Å; I345-S349 PolarHBondContact O-OG 3.19Å; H346-S349 PolarHBondContact O-OG 2.95Å; R347-S349 VanDerWaalsContact C-N 3.25Å; R347-S349 PolarHBondContact O-N 3.03Å; S349-S351 PolarHBondContact O-N 2.97Å; S349-D411 WeakPolarHBondContact O-CB 3.43Å |
| 350 | N | 66.5 | Low | 73.5 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -94.4 | 31.9 | -173.6 | -73 | -49.8 | 0 | 0 | 0 | 114.1 | H346 R347 C352 | H346-N350 PolarHBondContact CD2-ND2 3.23Å; H346-N350 PolarHBondContact CE1-ND2 3.16Å; H346-N350 PolarHBondContact ND1-ND2 3.37Å; H346-N350 PolarHBondContact NE2-ND2 2.85Å; H346-N350 WeakPolarHBondContact O-CB 3.4Å; H346-N350 PolarHBondContact O-N 3.23Å; H346-N350 PolarHBondContact O-ND2 3.39Å; R347-N350 PolarHBondContact O-N 3.31Å; N350-C352 PolarHBondContact O-N 3.26Å |
| 351 | S | 55.9 | Low | 73.5 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | trans | -70.8 | 93.9 | -166.5 | 64.5 | 0 | 0 | 0 | 0 | 114 | S349 | S349-S351 PolarHBondContact O-N 2.97Š| ||
| 352 | C | 48.9 | Very low | 73.5 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 68% | 0.676 | 34% | 0.337 | S | S | * | . | trans | -92.7 | 112.2 | 153.3 | -70.6 | 0 | 0 | 0 | 0 | 108.6 | N350 N354 | N350-C352 PolarHBondContact O-N 3.26Å; C352-N354 PolarHBondContact O-N 3.4Å | ||
| 353 | D | 52.8 | Low | 74 | Confident | 173 Ų | 173 | 60 Ų | 60 | 93% | 0.925 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 17.5 | 28.8 | 159.6 | -69.7 | -18.6 | 0 | 0 | 0 | 121.8 | ||
| 354 | N | 56.6 | Low | 74.5 | Confident | 103 Ų | 103 | 57.5 Ų | 57.5 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | trans | -95.2 | 136.5 | -179.9 | -78.8 | -19 | 0 | 0 | 0 | 110.8 | C352 N356 N357 | C352-N354 PolarHBondContact O-N 3.4Å; N354-N356 PolarHBondContact O-N 3.43Å; N354-N357 WeakPolarHBondContact O-CB 3.4Å; N354-N357 PolarHBondContact O-N 2.85Å | ||
| 355 | T | 60.5 | Low | 74.8 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -30.5 | 176.7 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | N357 Q358 | T355-N357 PolarHBondContact O-N 3.32Å; T355-Q358 WeakPolarHBondContact O-CB 3.23Å; T355-Q358 PolarHBondContact O-N 3.43Å; T355-Q358 VanDerWaalsContact O-N 3.09Å |
| 356 | N | 61.3 | Low | 75.3 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -26.4 | 178.2 | -67.1 | 10.8 | 0 | 0 | 0 | 112.7 | D287 N354 Q358 Y359 I360 | D287-N356 PolarHBondContact OD2-ND2 3.5Å; N354-N356 PolarHBondContact O-N 3.43Å; N356-Q358 PolarHBondContact O-N 2.89Å; N356-Y359 PolarHBondContact O-N 2.94Å; N356-I360 PolarHBondContact O-N 3.05Å |
| 357 | N | 70.6 | Confident | 76.1 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68 | -26.9 | 176.8 | -65.9 | -14.4 | 0 | 0 | 0 | 111.7 | N354 T355 Y359 I360 H361 | N354-N357 WeakPolarHBondContact O-CB 3.4Å; N354-N357 PolarHBondContact O-N 2.85Å; T355-N357 PolarHBondContact O-N 3.32Å; N357-Y359 PolarHBondContact O-N 3.02Å; N357-I360 PolarHBondContact O-N 3.03Å; N357-H361 PolarHBondContact O-CD2 3.17Å; N357-H361 PolarHBondContact O-N 3.13Å |
| 358 | Q | 82.9 | Confident | 76.8 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62 | -44 | 176 | -174.4 | -179.3 | -22.6 | 0 | 0 | 111.2 | T355 N356 I360 H361 E362 | T355-Q358 WeakPolarHBondContact O-CB 3.23Å; T355-Q358 PolarHBondContact O-N 3.43Å; T355-Q358 VanDerWaalsContact O-N 3.09Å; N356-Q358 PolarHBondContact O-N 2.89Å; Q358-I360 VanDerWaalsContact C-N 3.32Å; Q358-I360 PolarHBondContact O-N 3.45Å; Q358-H361 PolarHBondContact O-N 3.44Å; Q358-E362 PolarHBondContact NE2-OE1 3.33Å; Q358-E362 WeakPolarHBondContact O-CG 3.49Å; Q358-E362 PolarHBondContact O-N 3.5Å |
| 359 | Y | 87.4 | Confident | 77.5 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 177.2 | -60.3 | -60.1 | 0 | 0 | 0 | 111.9 | T294 N356 N357 E362 L363 | T294-Y359 VanDerWaalsContact CG2-O 3.23Å; T294-Y359 WeakPolarHBondContact CG2-O 3.34Å; T294-Y359 VanDerWaalsContact OG1-CD1 3.31Å; T294-Y359 WeakPolarHBondContact OG1-CD1 3.2Å; N356-Y359 PolarHBondContact O-N 2.94Å; N357-Y359 PolarHBondContact O-N 3.02Å; Y359-E362 PolarHBondContact O-N 3.19Å; Y359-L363 WeakPolarHBondContact O-CB 3.19Å; Y359-L363 PolarHBondContact O-N 3.5Å |
| 360 | I | 87.5 | Confident | 78.5 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 174.2 | -62.2 | 175.1 | 0 | 0 | 0 | 110.2 | V290 R347 L348 N356 N357 Q358 E362 L363 F364 | V290-I360 HydrophobicContact CG1-CG1 4.4Å; R347-I360 HydrophobicContact CB-CD1 3.64Å; R347-I360 HydrophobicContact CG-CD1 4.43Å; L348-I360 HydrophobicContact CB-CG2 4.48Å; L348-I360 HydrophobicContact CD1-CG2 4.13Å; N356-I360 PolarHBondContact O-N 3.05Å; N357-I360 PolarHBondContact O-N 3.03Å; Q358-I360 VanDerWaalsContact C-N 3.32Å; Q358-I360 PolarHBondContact O-N 3.45Å; I360-E362 VanDerWaalsContact C-N 3.31Å; I360-E362 PolarHBondContact O-N 3.19Å; I360-L363 WeakPolarHBondContact O-CB 3.26Å; I360-L363 PolarHBondContact O-N 2.95Å; I360-F364 HydrophobicContact CG2-CD2 3.94Å; I360-F364 HydrophobicContact CG2-CE2 3.83Å; I360-F364 VanDerWaalsContact O-CD2 3.32Å; I360-F364 WeakPolarHBondContact O-CD2 3.46Å; I360-F364 PolarHBondContact O-N 3.2Å |
| 361 | H | 86.6 | Confident | 79.6 | Confident | 92 Ų | 92 | 49.9 Ų | 49.9 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 174.9 | -73.5 | -65.2 | 0 | 0 | 0 | 112.7 | L348 N357 Q358 L363 F364 G365 | L348-H361 VanDerWaalsContact CD1-CE1 3.46Å; L348-H361 WeakPolarHBondContact CD1-CE1 3.3Å; N357-H361 PolarHBondContact O-CD2 3.17Å; N357-H361 PolarHBondContact O-N 3.13Å; Q358-H361 PolarHBondContact O-N 3.44Å; H361-L363 VanDerWaalsContact C-N 3.35Å; H361-F364 PolarHBondContact O-N 2.95Å; H361-G365 PolarHBondContact O-N 3.24Å |
| 362 | E | 89.7 | Confident | 81.2 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 176 | -75.2 | 176.9 | -163.1 | 0 | 0 | 112.3 | T294 Q358 Y359 I360 G365 M366 | T294-E362 HydrophobicContact CG2-CB 3.73Å; Q358-E362 PolarHBondContact NE2-OE1 3.33Å; Q358-E362 WeakPolarHBondContact O-CG 3.49Å; Q358-E362 PolarHBondContact O-N 3.5Å; Y359-E362 PolarHBondContact O-N 3.19Å; I360-E362 VanDerWaalsContact C-N 3.31Å; I360-E362 PolarHBondContact O-N 3.19Å; E362-G365 CarbonylContact O-C 3.6Å; E362-G365 WeakPolarHBondContact O-CA 3.05Å; E362-G365 PolarHBondContact O-N 3.41Å; E362-G365 VanDerWaalsContact O-N 3.16Å; E362-M366 WeakPolarHBondContact O-CG 3.23Å; E362-M366 PolarHBondContact O-N 2.9Å |
| 363 | L | 93 | Very high | 83.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.7 | -179.6 | 69.6 | 0 | 0 | 0 | 111.8 | V290 T294 L333 L336 L344 Y359 I360 H361 G365 M366 F367 | V290-L363 HydrophobicContact CG1-CB 4.21Å; V290-L363 HydrophobicContact CG1-CD2 4.1Å; V290-L363 HydrophobicContact CG2-CD2 4.02Å; T294-L363 HydrophobicContact CG2-CB 4.25Å; L333-L363 HydrophobicContact CD2-CD1 3.9Å; L336-L363 HydrophobicContact CD2-CD1 3.97Å; L336-L363 HydrophobicContact CD2-CD2 3.92Å; L344-L363 HydrophobicContact CD1-CD2 3.84Å; L344-L363 HydrophobicContact CD2-CD2 4.17Å; Y359-L363 WeakPolarHBondContact O-CB 3.19Å; Y359-L363 PolarHBondContact O-N 3.5Å; I360-L363 WeakPolarHBondContact O-CB 3.26Å; I360-L363 PolarHBondContact O-N 2.95Å; H361-L363 VanDerWaalsContact C-N 3.35Å; L363-G365 PolarHBondContact O-N 3.23Å; L363-M366 CarbonylContact O-C 3.6Å; L363-M366 WeakPolarHBondContact O-CA 3.49Å; L363-M366 WeakPolarHBondContact O-CB 3.32Å; L363-M366 PolarHBondContact O-N 3.31Å; L363-F367 HydrophobicContact CD1-CE1 4.13Å; L363-F367 HydrophobicContact CD1-CE2 4.5Å; L363-F367 HydrophobicContact CD1-CZ 3.96Å; L363-F367 HydrophobicContact CD2-CE2 4Å; L363-F367 HydrophobicContact CD2-CZ 3.86Å; L363-F367 HydrophobicContact CG-CD2 4.45Å; L363-F367 HydrophobicContact CG-CE1 4.3Å; L363-F367 HydrophobicContact CG-CE2 3.79Å; L363-F367 HydrophobicContact CG-CZ 3.7Å; L363-F367 PolarHBondContact O-N 3.15Å |
| 364 | F | 91 | Very high | 85 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.013 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 172.8 | -83.4 | -81.9 | 0 | 0 | 0 | 112.1 | M341 L344 I345 L348 I360 H361 M366 F367 L368 I394 I418 | M341-F364 HydrophobicContact SD-CE1 4.07Å; M341-F364 HydrophobicContact SD-CZ 3.92Å; L344-F364 HydrophobicContact CB-CE2 4.39Å; L344-F364 HydrophobicContact CB-CZ 4.44Å; I345-F364 HydrophobicContact CD1-CE1 3.78Å; I345-F364 HydrophobicContact CD1-CZ 3.52Å; I345-F364 HydrophobicContact CG1-CZ 4.25Å; L348-F364 HydrophobicContact CB-CE2 4.33Å; L348-F364 HydrophobicContact CD1-CD2 4.16Å; L348-F364 HydrophobicContact CD1-CE2 4.26Å; L348-F364 HydrophobicContact CD2-CD2 4.34Å; L348-F364 HydrophobicContact CD2-CE2 4.02Å; L348-F364 HydrophobicContact CD2-CZ 4.16Å; L348-F364 HydrophobicContact CG-CE2 4.44Å; I360-F364 HydrophobicContact CG2-CD2 3.94Å; I360-F364 HydrophobicContact CG2-CE2 3.83Å; I360-F364 VanDerWaalsContact O-CD2 3.32Å; I360-F364 WeakPolarHBondContact O-CD2 3.46Å; I360-F364 PolarHBondContact O-N 3.2Å; H361-F364 PolarHBondContact O-N 2.95Å; F364-M366 VanDerWaalsContact C-N 3.33Å; F364-F367 AromaticContact CD1-CD2 3.98Å; F364-F367 HydrophobicContact CD1-CD2 3.98Å; F364-F367 HydrophobicContact CE1-CD2 4.37Å; F364-F367 HydrophobicContact CG-CD2 4.33Å; F364-F367 PolarHBondContact O-N 2.86Å; F364-L368 WeakPolarHBondContact O-CG 3.39Å; F364-L368 PolarHBondContact O-N 3.39Å; F364-I394 HydrophobicContact CD1-CD1 4.18Å; F364-I394 HydrophobicContact CE1-CD1 4.06Å; F364-I394 HydrophobicContact CE1-CG1 4.04Å; F364-I394 HydrophobicContact CE1-CG2 4.26Å; F364-I418 HydrophobicContact CB-CD1 4.01Å; F364-I418 HydrophobicContact CB-CG1 4.46Å; F364-I418 HydrophobicContact CD1-CD1 3.61Å; F364-I418 HydrophobicContact CD1-CG1 4.41Å; F364-I418 HydrophobicContact CD1-CG2 4.08Å; F364-I418 HydrophobicContact CD2-CD1 4.31Å; F364-I418 HydrophobicContact CE1-CD1 4.11Å; F364-I418 HydrophobicContact CG-CD1 3.71Å |
| 365 | G | 91.3 | Very high | 86.5 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 22% | 0.216 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | H361 E362 L363 L368 L369 | H361-G365 PolarHBondContact O-N 3.24Å; E362-G365 CarbonylContact O-C 3.6Å; E362-G365 WeakPolarHBondContact O-CA 3.05Å; E362-G365 PolarHBondContact O-N 3.41Å; E362-G365 VanDerWaalsContact O-N 3.16Å; L363-G365 PolarHBondContact O-N 3.23Å; G365-L368 PolarHBondContact O-N 3.3Å; G365-L369 WeakPolarHBondContact O-CG 3.34Å; G365-L369 PolarHBondContact O-N 2.96Å |
| 366 | M | 94.6 | Very high | 88 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 173.7 | -66.5 | 175.1 | 68.9 | 0 | 0 | 111.8 | T294 K297 L300 L333 E362 L363 F364 L368 L369 T370 | T294-M366 HydrophobicContact CG2-SD 4.49Å; K297-M366 HydrophobicContact CB-CG 3.89Å; K297-M366 HydrophobicContact CB-SD 3.92Å; K297-M366 HydrophobicContact CD-CG 4.33Å; K297-M366 HydrophobicContact CG-CG 3.87Å; L300-M366 HydrophobicContact CD2-CB 4Å; L300-M366 HydrophobicContact CD2-CE 4.05Å; L300-M366 HydrophobicContact CD2-CG 4.3Å; L333-M366 HydrophobicContact CD1-CB 4.21Å; L333-M366 HydrophobicContact CD1-CE 4.41Å; L333-M366 HydrophobicContact CD2-CE 4.29Å; E362-M366 WeakPolarHBondContact O-CG 3.23Å; E362-M366 PolarHBondContact O-N 2.9Å; L363-M366 CarbonylContact O-C 3.6Å; L363-M366 WeakPolarHBondContact O-CA 3.49Å; L363-M366 WeakPolarHBondContact O-CB 3.32Å; L363-M366 PolarHBondContact O-N 3.31Å; F364-M366 VanDerWaalsContact C-N 3.33Å; M366-L368 VanDerWaalsContact C-N 3.27Å; M366-L368 PolarHBondContact O-N 2.99Å; M366-L369 WeakPolarHBondContact O-CB 3.32Å; M366-L369 PolarHBondContact O-N 3.48Å; M366-L369 VanDerWaalsContact O-N 3.09Å; M366-T370 WeakPolarHBondContact O-CG2 3.36Å; M366-T370 PolarHBondContact O-N 3.34Å |
| 367 | F | 94.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -37.1 | 174.2 | -63.2 | -34.4 | 0 | 0 | 0 | 112.6 | L333 L336 M341 L363 F364 T370 I390 I394 | L333-F367 HydrophobicContact CB-CD1 4.09Å; L333-F367 HydrophobicContact CB-CE1 3.89Å; L333-F367 HydrophobicContact CD1-CD1 4.45Å; L333-F367 HydrophobicContact CD2-CD1 4.32Å; L333-F367 HydrophobicContact CD2-CE1 3.92Å; L333-F367 HydrophobicContact CG-CE1 4.39Å; L336-F367 HydrophobicContact CD2-CZ 4.5Å; M341-F367 HydrophobicContact CE-CD2 4.23Å; M341-F367 HydrophobicContact CE-CE2 3.66Å; M341-F367 HydrophobicContact CE-CZ 4.1Å; L363-F367 HydrophobicContact CD1-CE1 4.13Å; L363-F367 HydrophobicContact CD1-CE2 4.5Å; L363-F367 HydrophobicContact CD1-CZ 3.96Å; L363-F367 HydrophobicContact CD2-CE2 4Å; L363-F367 HydrophobicContact CD2-CZ 3.86Å; L363-F367 HydrophobicContact CG-CD2 4.45Å; L363-F367 HydrophobicContact CG-CE1 4.3Å; L363-F367 HydrophobicContact CG-CE2 3.79Å; L363-F367 HydrophobicContact CG-CZ 3.7Å; L363-F367 PolarHBondContact O-N 3.15Å; F364-F367 AromaticContact CD1-CD2 3.98Å; F364-F367 HydrophobicContact CD1-CD2 3.98Å; F364-F367 HydrophobicContact CE1-CD2 4.37Å; F364-F367 HydrophobicContact CG-CD2 4.33Å; F364-F367 PolarHBondContact O-N 2.86Å; F367-T370 PolarHBondContact O-OG1 2.91Å; F367-I390 HydrophobicContact CB-CG2 3.84Å; F367-I390 HydrophobicContact CD1-CD1 4.42Å; F367-I390 HydrophobicContact CD1-CG2 3.68Å; F367-I390 HydrophobicContact CD2-CG2 4.35Å; F367-I390 HydrophobicContact CE1-CG2 4.29Å; F367-I390 HydrophobicContact CG-CG2 3.72Å; F367-I394 HydrophobicContact CB-CD1 4.27Å; F367-I394 HydrophobicContact CD2-CD1 4.06Å; F367-I394 HydrophobicContact CG-CD1 4.47Å |
| 368 | L | 92.8 | Very high | 90.4 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.9 | -29.4 | 175.8 | -71.1 | 169 | 0 | 0 | 0 | 112.9 | F364 G365 M366 F371 S372 E421 F422 R425 | F364-L368 WeakPolarHBondContact O-CG 3.39Å; F364-L368 PolarHBondContact O-N 3.39Å; G365-L368 PolarHBondContact O-N 3.3Å; M366-L368 VanDerWaalsContact C-N 3.27Å; M366-L368 PolarHBondContact O-N 2.99Å; L368-F371 PolarHBondContact O-N 3.5Å; L368-S372 PolarHBondContact O-OG 2.96Å; L368-E421 HydrophobicContact CD1-CB 3.89Å; L368-E421 WeakPolarHBondContact CD1-OE2 3.39Å; L368-E421 HydrophobicContact CD2-CB 4.38Å; L368-F422 HydrophobicContact CD2-CB 3.91Å; L368-R425 WeakPolarHBondContact O-CD 3.36Å; L368-R425 PolarHBondContact O-NE 3.29Å |
| 369 | L | 93 | Very high | 90.6 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 17% | 0.168 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 177.1 | -78.1 | 170 | 0 | 0 | 0 | 112.1 | K297 L300 Q301 G365 M366 F371 S372 | K297-L369 HydrophobicContact CG-CD1 4.29Å; L300-L369 HydrophobicContact CD2-CB 4.3Å; Q301-L369 HydrophobicContact CB-CD1 4.49Å; G365-L369 WeakPolarHBondContact O-CG 3.34Å; G365-L369 PolarHBondContact O-N 2.96Å; M366-L369 WeakPolarHBondContact O-CB 3.32Å; M366-L369 PolarHBondContact O-N 3.48Å; M366-L369 VanDerWaalsContact O-N 3.09Å; L369-F371 PolarHBondContact O-N 3.27Å; L369-S372 WeakPolarHBondContact O-CB 3.36Å; L369-S372 PolarHBondContact O-N 3.46Å |
| 370 | T | 91 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -24.8 | 179.3 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | L300 V330 L333 M366 F367 L373 A387 | L300-T370 HydrophobicContact CD2-CG2 4.31Å; V330-T370 HydrophobicContact CB-CG2 4.2Å; V330-T370 HydrophobicContact CG1-CG2 3.92Å; V330-T370 HydrophobicContact CG2-CG2 3.49Å; V330-T370 VanDerWaalsContact CG2-CG2 3.49Å; L333-T370 HydrophobicContact CD1-CG2 3.78Å; M366-T370 WeakPolarHBondContact O-CG2 3.36Å; M366-T370 PolarHBondContact O-N 3.34Å; F367-T370 PolarHBondContact O-OG1 2.91Å; T370-L373 WeakPolarHBondContact O-CD1 3.49Å; T370-A387 VanDerWaalsContact OG1-CB 3.26Å; T370-A387 WeakPolarHBondContact OG1-CB 3.45Å |
| 371 | F | 89.8 | Confident | 90.9 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 1.2 | 177 | -152.6 | -116.4 | 0 | 0 | 0 | 113.3 | L368 L369 S384 A387 L388 F422 R425 A426 K429 F454 L458 | L368-F371 PolarHBondContact O-N 3.5Å; L369-F371 PolarHBondContact O-N 3.27Å; F371-S384 WeakPolarHBondContact CE2-O 3.35Å; F371-A387 HydrophobicContact CB-CB 4.06Å; F371-A387 HydrophobicContact CD2-CB 3.59Å; F371-A387 HydrophobicContact CG-CB 4.3Å; F371-L388 HydrophobicContact CE2-CB 4.29Å; F371-F422 AromaticContact CD1-CD2 3.91Å; F371-F422 HydrophobicContact CD1-CD2 3.91Å; F371-F422 AromaticContact CD1-CE2 3.66Å; F371-F422 HydrophobicContact CD1-CE2 3.66Å; F371-F422 HydrophobicContact CD2-CE2 4.48Å; F371-F422 HydrophobicContact CE1-CD2 4.08Å; F371-F422 AromaticContact CE1-CE2 3.46Å; F371-F422 HydrophobicContact CE1-CE2 3.46Å; F371-F422 VanDerWaalsContact CE1-CE2 3.46Å; F371-F422 AromaticContact CE1-CZ 3.99Å; F371-F422 HydrophobicContact CE1-CZ 3.99Å; F371-F422 HydrophobicContact CE2-CE2 4.36Å; F371-F422 HydrophobicContact CG-CD2 4.5Å; F371-F422 HydrophobicContact CG-CE2 4.17Å; F371-F422 AromaticContact CZ-CE2 3.89Å; F371-F422 HydrophobicContact CZ-CE2 3.89Å; F371-F422 HydrophobicContact CZ-CZ 4.21Å; F371-R425 HydrophobicContact CD1-CB 3.83Å; F371-R425 HydrophobicContact CE1-CB 4.5Å; F371-A426 VanDerWaalsContact CE1-CA 3.41Å; F371-A426 HydrophobicContact CE1-CB 3.72Å; F371-A426 HydrophobicContact CZ-CB 4.38Å; F371-K429 HydrophobicContact CE1-CG 4.47Å; F371-K429 HydrophobicContact CZ-CG 4.46Å; F371-F454 HydrophobicContact CE2-CZ 4.02Å; F371-F454 HydrophobicContact CZ-CZ 4.15Å; F371-L458 HydrophobicContact CZ-CD2 3.7Å |
| 372 | S | 90 | Very high | 91.1 | Very high | 39 Ų | 39 | 23.1 Ų | 23.1 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | trans | -97.2 | 6.9 | -177.8 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | L368 L369 T374 R425 | L368-S372 PolarHBondContact O-OG 2.96Å; L369-S372 WeakPolarHBondContact O-CB 3.36Å; L369-S372 PolarHBondContact O-N 3.46Å; S372-T374 PolarHBondContact O-N 3.01Å; S372-R425 VanDerWaalsContact OG-CD 3.25Å; S372-R425 WeakPolarHBondContact OG-CD 3.33Å; S372-R425 PolarHBondContact OG-NE 3.27Å | ||
| 373 | L | 91.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | trans | -58.4 | 137.3 | 177.9 | -87.4 | 81.8 | 0 | 0 | 0 | 110.8 | V304 W317 L326 T370 E381 I383 K429 | V304-L373 HydrophobicContact CG2-CD1 4.05Å; W317-L373 HydrophobicContact CH2-CD2 3.93Å; W317-L373 HydrophobicContact CZ3-CD2 4.24Å; L326-L373 HydrophobicContact CD2-CD2 3.91Å; L326-L373 HydrophobicContact CD2-CG 4.44Å; T370-L373 WeakPolarHBondContact O-CD1 3.49Å; L373-E381 HydrophobicContact CB-CG 4.23Å; L373-E381 HydrophobicContact CD2-CB 4.02Å; L373-E381 HydrophobicContact CD2-CG 4.25Å; L373-I383 HydrophobicContact CD1-CB 4.47Å; L373-I383 HydrophobicContact CD1-CG2 4.12Å; L373-I383 HydrophobicContact CD2-CB 4.07Å; L373-I383 HydrophobicContact CD2-CD1 3.97Å; L373-I383 HydrophobicContact CD2-CG1 4.25Å; L373-K429 WeakPolarHBondContact O-CE 3.49Å; L373-K429 PolarHBondContact O-NZ 3.09Å | ||
| 374 | T | 89.9 | Confident | 91.2 | Very high | 54 Ų | 54 | 20.9 Ų | 20.9 | 33% | 0.331 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -75.2 | 147.6 | 173.5 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | H307 S308 S372 | H307-T374 PolarHBondContact CD2-O 2.64Å; H307-T374 PolarHBondContact NE2-O 2.91Å; S308-T374 VanDerWaalsContact CA-OG1 3.23Å; S308-T374 WeakPolarHBondContact CA-OG1 3.39Å; S308-T374 VanDerWaalsContact CB-OG1 3.32Å; S308-T374 WeakPolarHBondContact CB-OG1 3.46Å; S308-T374 VanDerWaalsContact OG-CG2 3.3Å; S308-T374 WeakPolarHBondContact OG-CG2 3.42Å; S308-T374 PolarHBondContact OG-OG1 3.4Å; S308-T374 VanDerWaalsContact OG-OG1 3.07Å; S372-T374 PolarHBondContact O-N 3.01Å |
| 375 | G | 88.4 | Confident | 91.3 | Very high | 24 Ų | 24 | 23.1 Ų | 23.1 | 25% | 0.247 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 104.2 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D380 K429 | G375-D380 VanDerWaalsContact CA-OD2 3.3Å; G375-D380 WeakPolarHBondContact CA-OD2 3.44Å; G375-K429 PolarHBondContact O-NZ 3.37Å |
| 376 | H | 90.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 23.6 Ų | 23.6 | 19% | 0.19 | 13% | 0.131 | C | C | . | . | trans | -101.8 | 131.4 | -179.8 | -60.3 | -86.5 | 0 | 0 | 0 | 112.1 | Y379 D380 H431 W443 | H376-Y379 PolarHBondContact O-N 3.26Å; H376-Y379 VanDerWaalsContact O-N 3.12Å; H376-D380 IonicContact CD2-OD2 3.38Å; H376-D380 PolarHBondContact N-OD2 3.47Å; H376-D380 PolarHBondContact O-N 3.16Å; H376-H431 PolarHBondContact CE1-O 2.92Å; H376-H431 PolarHBondContact ND1-O 3.26Å; H376-W443 HydrophobicContact CB-CH2 3.62Å; H376-W443 HydrophobicContact CB-CZ2 3.85Å | ||
| 377 | Y | 91.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 9% | 0.086 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 146.2 | 167.6 | 174.9 | -92 | 0 | 0 | 0 | 111.3 | Y379 E381 D385 L450 F454 | Y377-Y379 VanDerWaalsContact C-N 3.32Å; Y377-E381 WeakPolarHBondContact CA-O 3.39Å; Y377-E381 WeakPolarHBondContact CD2-O 3.4Å; Y377-D385 HydrophobicContact CD2-CB 4.39Å; Y377-D385 HydrophobicContact CE2-CB 3.59Å; Y377-D385 VanDerWaalsContact CE2-CG 3.5Å; Y377-D385 WeakPolarHBondContact CE2-OD2 3.46Å; Y377-D385 PolarHBondContact OH-OD2 3.05Å; Y377-L450 HydrophobicContact CE1-CB 4.42Å; Y377-F454 HydrophobicContact CD1-CB 3.64Å; Y377-F454 AromaticContact CD1-CD1 3.86Å; Y377-F454 HydrophobicContact CD1-CD1 3.86Å; Y377-F454 HydrophobicContact CD1-CD2 4.07Å; Y377-F454 AromaticContact CD1-CG 3.59Å; Y377-F454 HydrophobicContact CD1-CG 3.59Å; Y377-F454 HydrophobicContact CE1-CB 3.73Å; Y377-F454 HydrophobicContact CE1-CD2 4.24Å; Y377-F454 HydrophobicContact CE1-CG 4Å; Y377-F454 HydrophobicContact CG-CD1 4.31Å; Y377-F454 HydrophobicContact CG-CG 4.3Å |
| 378 | P | 90.9 | Very high | 91.2 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 14% | 0.143 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.7 | -0.7 | -15.8 | 36.1 | -35.8 | 0 | 0 | 0 | 112.9 | E381 D447 L450 | P378-E381 CarbonylContact C-O 3.52Å; P378-E381 WeakPolarHBondContact CA-O 3.34Å; P378-D447 WeakPolarHBondContact CD-O 3.13Å; P378-D447 HydrophobicContact CG-CB 4.02Å; P378-L450 HydrophobicContact CG-CB 3.91Å; P378-L450 HydrophobicContact CG-CD1 4.09Å |
| 379 | Y | 88.3 | Confident | 91.1 | Very high | 73 Ų | 73 | 26.9 Ų | 26.9 | 29% | 0.286 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -46.6 | -167.5 | -178.1 | -99.4 | 0 | 0 | 0 | 114 | H376 Y377 V442 W443 | H376-Y379 PolarHBondContact O-N 3.26Å; H376-Y379 VanDerWaalsContact O-N 3.12Å; Y377-Y379 VanDerWaalsContact C-N 3.32Å; Y379-V442 HydrophobicContact CE2-CG1 4.18Å; Y379-V442 VanDerWaalsContact OH-CG1 3.22Å; Y379-V442 WeakPolarHBondContact OH-CG1 3.23Å; Y379-W443 VanDerWaalsContact CB-CE2 3.42Å; Y379-W443 VanDerWaalsContact CB-CZ2 3.4Å; Y379-W443 AromaticContact CD1-CE2 3.78Å; Y379-W443 HydrophobicContact CD1-CZ2 4.03Å; Y379-W443 AromaticContact CD1-NE1 3.28Å; Y379-W443 VanDerWaalsContact CD1-NE1 3.28Å; Y379-W443 AromaticContact CD2-CD1 3.51Å; Y379-W443 HydrophobicContact CD2-CD2 4.2Å; Y379-W443 AromaticContact CD2-CG 3.92Å; Y379-W443 HydrophobicContact CD2-CG 3.92Å; Y379-W443 AromaticContact CD2-NE1 3.55Å; Y379-W443 AromaticContact CE1-NE1 3.67Å; Y379-W443 AromaticContact CE2-CD1 3.67Å; Y379-W443 HydrophobicContact CE2-CG 4.39Å; Y379-W443 AromaticContact CE2-NE1 3.91Å; Y379-W443 AromaticContact CG-CD1 3.72Å; Y379-W443 HydrophobicContact CG-CD2 4.04Å; Y379-W443 AromaticContact CG-CE2 3.45Å; Y379-W443 VanDerWaalsContact CG-CE2 3.45Å; Y379-W443 HydrophobicContact CG-CG 4.2Å; Y379-W443 AromaticContact CG-CZ2 3.85Å; Y379-W443 HydrophobicContact CG-CZ2 3.85Å; Y379-W443 AromaticContact CG-NE1 3.22Å; Y379-W443 AromaticContact CZ-NE1 3.97Å |
| 380 | D | 88.7 | Confident | 91.1 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -26 | -179.1 | -61.9 | -44.6 | 0 | 0 | 0 | 112.5 | H307 L311 W317 G375 H376 | H307-D380 PolarHBondContact CE1-O 3.13Å; L311-D380 HydrophobicContact CD1-CB 3.84Å; L311-D380 HydrophobicContact CD2-CB 4.2Å; W317-D380 WeakPolarHBondContact CB-O 3.23Å; G375-D380 VanDerWaalsContact CA-OD2 3.3Å; G375-D380 WeakPolarHBondContact CA-OD2 3.44Å; H376-D380 IonicContact CD2-OD2 3.38Å; H376-D380 PolarHBondContact N-OD2 3.47Å; H376-D380 PolarHBondContact O-N 3.16Å |
| 381 | E | 91 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -161.6 | 148.4 | -179.8 | 57.3 | 82.8 | -152.2 | 0 | 0 | 112 | W317 L373 Y377 P378 I383 S384 K429 | W317-E381 HydrophobicContact CD2-CB 4.14Å; W317-E381 HydrophobicContact CE3-CB 4.06Å; W317-E381 HydrophobicContact CH2-CB 4.21Å; W317-E381 HydrophobicContact CZ2-CB 4.27Å; W317-E381 HydrophobicContact CZ3-CB 4.11Å; L373-E381 HydrophobicContact CB-CG 4.23Å; L373-E381 HydrophobicContact CD2-CB 4.02Å; L373-E381 HydrophobicContact CD2-CG 4.25Å; Y377-E381 WeakPolarHBondContact CA-O 3.39Å; Y377-E381 WeakPolarHBondContact CD2-O 3.4Å; P378-E381 CarbonylContact C-O 3.52Å; P378-E381 WeakPolarHBondContact CA-O 3.34Å; E381-I383 PolarHBondContact OE2-N 3.04Å; E381-S384 WeakPolarHBondContact OE1-CB 3.37Å; E381-S384 PolarHBondContact OE1-OG 2.95Å; E381-S384 PolarHBondContact OE2-N 3.33Å; E381-S384 PolarHBondContact OE2-OG 3.38Å; E381-S384 VanDerWaalsContact OE2-OG 3.06Å; E381-K429 IonicContact OE1-NZ 2.69Å; E381-K429 PolarHBondContact OE1-NZ 3.18Å | ||
| 382 | D | 91.1 | Very high | 91.1 | Very high | 49 Ų | 49 | 27.7 Ų | 27.7 | 26% | 0.262 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -111.9 | 16.5 | -179.1 | 65.6 | 0.2 | 0 | 0 | 0 | 113.6 | W317 | W317-D382 VanDerWaalsContact CE2-OD1 3.24Å; W317-D382 WeakPolarHBondContact CZ2-OD1 3.25Å; W317-D382 PolarHBondContact NE1-OD1 2.81Å; W317-D382 PolarHBondContact NE1-OD2 3.43Å |
| 383 | I | 92.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -92.9 | -27.8 | -173.7 | -64 | -167.4 | 0 | 0 | 0 | 112 | W317 L326 V330 L373 E381 D385 V386 A387 | W317-I383 HydrophobicContact CH2-CD1 3.57Å; W317-I383 HydrophobicContact CH2-CG1 3.9Å; W317-I383 HydrophobicContact CZ2-CD1 3.71Å; W317-I383 HydrophobicContact CZ2-CG1 3.61Å; L326-I383 HydrophobicContact CB-CD1 4.25Å; L326-I383 HydrophobicContact CD1-CD1 4.49Å; L326-I383 HydrophobicContact CD2-CD1 3.75Å; L326-I383 HydrophobicContact CG-CD1 3.47Å; L326-I383 VanDerWaalsContact CG-CD1 3.47Å; V330-I383 HydrophobicContact CB-CG2 4.03Å; V330-I383 HydrophobicContact CG1-CG2 3.84Å; V330-I383 HydrophobicContact CG2-CD1 4.42Å; V330-I383 HydrophobicContact CG2-CG2 3.65Å; L373-I383 HydrophobicContact CD1-CB 4.47Å; L373-I383 HydrophobicContact CD1-CG2 4.12Å; L373-I383 HydrophobicContact CD2-CB 4.07Å; L373-I383 HydrophobicContact CD2-CD1 3.97Å; L373-I383 HydrophobicContact CD2-CG1 4.25Å; E381-I383 PolarHBondContact OE2-N 3.04Å; I383-D385 PolarHBondContact O-N 3.24Å; I383-D385 VanDerWaalsContact O-N 3.15Å; I383-V386 PolarHBondContact O-N 3.27Å; I383-V386 VanDerWaalsContact O-N 3.15Å; I383-A387 WeakPolarHBondContact O-CB 3.48Å; I383-A387 PolarHBondContact O-N 3.48Å | ||
| 384 | S | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58 | -27.1 | -179.3 | -66 | 0 | 0 | 0 | 0 | 113.4 | F371 E381 L388 K429 | F371-S384 WeakPolarHBondContact CE2-O 3.35Å; E381-S384 WeakPolarHBondContact OE1-CB 3.37Å; E381-S384 PolarHBondContact OE1-OG 2.95Å; E381-S384 PolarHBondContact OE2-N 3.33Å; E381-S384 PolarHBondContact OE2-OG 3.38Å; E381-S384 VanDerWaalsContact OE2-OG 3.06Å; S384-L388 WeakPolarHBondContact O-CB 3.42Å; S384-L388 PolarHBondContact O-N 3.47Å; S384-K429 WeakPolarHBondContact OG-CE 3.48Å; S384-K429 PolarHBondContact OG-NZ 3.23Å |
| 385 | D | 92.3 | Very high | 90.8 | Very high | 49 Ų | 49 | 26 Ų | 26 | 26% | 0.262 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -71.1 | -43.6 | 175.4 | 67.6 | 4.9 | 0 | 0 | 0 | 112.6 | Y377 I383 A387 L388 Q389 | Y377-D385 HydrophobicContact CD2-CB 4.39Å; Y377-D385 HydrophobicContact CE2-CB 3.59Å; Y377-D385 VanDerWaalsContact CE2-CG 3.5Å; Y377-D385 WeakPolarHBondContact CE2-OD2 3.46Å; Y377-D385 PolarHBondContact OH-OD2 3.05Å; I383-D385 PolarHBondContact O-N 3.24Å; I383-D385 VanDerWaalsContact O-N 3.15Å; D385-A387 VanDerWaalsContact C-N 3.31Å; D385-A387 PolarHBondContact O-N 2.89Å; D385-L388 WeakPolarHBondContact O-CB 3.45Å; D385-L388 PolarHBondContact O-N 3.01Å; D385-L388 VanDerWaalsContact O-N 3.17Å; D385-Q389 PolarHBondContact O-N 3.2Å; D385-Q389 VanDerWaalsContact O-N 3.07Å |
| 386 | V | 92.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 19% | 0.194 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | V330 I383 L388 Q389 I390 | V330-V386 HydrophobicContact CG1-CB 4.11Å; V330-V386 HydrophobicContact CG1-CG1 3.82Å; I383-V386 PolarHBondContact O-N 3.27Å; I383-V386 VanDerWaalsContact O-N 3.15Å; V386-L388 VanDerWaalsContact C-N 3.3Å; V386-L388 PolarHBondContact O-N 3.34Å; V386-Q389 WeakPolarHBondContact O-CB 3.39Å; V386-Q389 PolarHBondContact O-N 2.88Å; V386-Q389 VanDerWaalsContact O-N 3.14Å; V386-I390 PolarHBondContact O-N 3.39Å |
| 387 | A | 92.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.2 | -28.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T370 F371 I383 D385 I390 W391 | T370-A387 VanDerWaalsContact OG1-CB 3.26Å; T370-A387 WeakPolarHBondContact OG1-CB 3.45Å; F371-A387 HydrophobicContact CB-CB 4.06Å; F371-A387 HydrophobicContact CD2-CB 3.59Å; F371-A387 HydrophobicContact CG-CB 4.3Å; I383-A387 WeakPolarHBondContact O-CB 3.48Å; I383-A387 PolarHBondContact O-N 3.48Å; D385-A387 VanDerWaalsContact C-N 3.31Å; D385-A387 PolarHBondContact O-N 2.89Å; A387-I390 PolarHBondContact O-N 3.06Å; A387-W391 PolarHBondContact O-N 3.36Å; A387-W391 VanDerWaalsContact O-N 3.14Å |
| 388 | L | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -38.8 | 168.8 | -175.7 | 58.5 | 0 | 0 | 0 | 111.8 | F371 S384 D385 V386 W391 L392 F422 F454 E457 L458 | F371-L388 HydrophobicContact CE2-CB 4.29Å; S384-L388 WeakPolarHBondContact O-CB 3.42Å; S384-L388 PolarHBondContact O-N 3.47Å; D385-L388 WeakPolarHBondContact O-CB 3.45Å; D385-L388 PolarHBondContact O-N 3.01Å; D385-L388 VanDerWaalsContact O-N 3.17Å; V386-L388 VanDerWaalsContact C-N 3.3Å; V386-L388 PolarHBondContact O-N 3.34Å; L388-W391 HydrophobicContact CD1-CE3 4.27Å; L388-W391 WeakPolarHBondContact O-CB 3.3Å; L388-W391 PolarHBondContact O-N 3.43Å; L388-W391 VanDerWaalsContact O-N 3.13Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 3.03Å; L388-F422 HydrophobicContact CD1-CZ 3.96Å; L388-F454 HydrophobicContact CB-CE2 4.14Å; L388-F454 HydrophobicContact CD2-CD2 4Å; L388-F454 HydrophobicContact CD2-CE2 3.76Å; L388-E457 HydrophobicContact CD2-CB 3.86Å; L388-L458 HydrophobicContact CD1-CD2 3.56Å; L388-L458 HydrophobicContact CD2-CD2 4.04Å; L388-L458 HydrophobicContact CD2-CG 4.49Å; L388-L458 HydrophobicContact CG-CD2 4.39Å |
| 389 | Q | 91.6 | Very high | 89.1 | Confident | 87 Ų | 87 | 29.4 Ų | 29.4 | 41% | 0.407 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 173.8 | -63.4 | -57.3 | -34.6 | 0 | 0 | 112.1 | D385 V386 W391 L392 N393 | D385-Q389 PolarHBondContact O-N 3.2Å; D385-Q389 VanDerWaalsContact O-N 3.07Å; V386-Q389 WeakPolarHBondContact O-CB 3.39Å; V386-Q389 PolarHBondContact O-N 2.88Å; V386-Q389 VanDerWaalsContact O-N 3.14Å; Q389-W391 PolarHBondContact O-N 3.26Å; Q389-L392 PolarHBondContact O-N 3.16Å; Q389-N393 PolarHBondContact O-N 3.29Å; Q389-N393 PolarHBondContact O-ND2 2.84Å |
| 390 | I | 92.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.9 | -44.4 | 171.9 | -67.1 | 169.7 | 0 | 0 | 0 | 110.3 | V330 L333 F367 V386 A387 N393 I394 | V330-I390 HydrophobicContact CG1-CD1 4.16Å; L333-I390 HydrophobicContact CB-CD1 4.07Å; F367-I390 HydrophobicContact CB-CG2 3.84Å; F367-I390 HydrophobicContact CD1-CD1 4.42Å; F367-I390 HydrophobicContact CD1-CG2 3.68Å; F367-I390 HydrophobicContact CD2-CG2 4.35Å; F367-I390 HydrophobicContact CE1-CG2 4.29Å; F367-I390 HydrophobicContact CG-CG2 3.72Å; V386-I390 PolarHBondContact O-N 3.39Å; A387-I390 PolarHBondContact O-N 3.06Å; I390-N393 WeakPolarHBondContact O-CB 3.45Å; I390-N393 PolarHBondContact O-N 2.96Å; I390-I394 HydrophobicContact CG2-CD1 4.1Å; I390-I394 WeakPolarHBondContact O-CG1 3.32Å; I390-I394 PolarHBondContact O-N 3.42Å |
| 391 | W | 91.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 179.2 | -178.5 | 78.9 | 0 | 0 | 0 | 113.2 | A387 L388 Q389 N393 I394 Y395 H419 F422 C461 V465 | A387-W391 PolarHBondContact O-N 3.36Å; A387-W391 VanDerWaalsContact O-N 3.14Å; L388-W391 HydrophobicContact CD1-CE3 4.27Å; L388-W391 WeakPolarHBondContact O-CB 3.3Å; L388-W391 PolarHBondContact O-N 3.43Å; L388-W391 VanDerWaalsContact O-N 3.13Å; Q389-W391 PolarHBondContact O-N 3.26Å; W391-N393 VanDerWaalsContact C-N 3.28Å; W391-N393 PolarHBondContact O-N 3.33Å; W391-I394 WeakPolarHBondContact O-CB 3.5Å; W391-I394 PolarHBondContact O-N 3.5Å; W391-I394 VanDerWaalsContact O-N 3.12Å; W391-Y395 AromaticContact CH2-CD2 3.92Å; W391-Y395 HydrophobicContact CH2-CD2 3.92Å; W391-Y395 AromaticContact CH2-CG 3.88Å; W391-Y395 HydrophobicContact CH2-CG 3.88Å; W391-Y395 HydrophobicContact CZ2-CD2 4.2Å; W391-Y395 HydrophobicContact CZ2-CG 4.3Å; W391-Y395 HydrophobicContact CZ3-CG 4.24Å; W391-Y395 WeakPolarHBondContact O-CB 3.42Å; W391-Y395 PolarHBondContact O-N 3.38Å; W391-H419 AromaticContact CE2-ND1 3.83Å; W391-H419 AromaticContact CZ2-ND1 3.82Å; W391-H419 AromaticContact NE1-CE1 3.74Å; W391-H419 AromaticContact NE1-ND1 3.26Å; W391-H419 PolarHBondContact NE1-ND1 2.93Å; W391-F422 HydrophobicContact CB-CD2 3.9Å; W391-F422 HydrophobicContact CB-CE2 3.47Å; W391-F422 VanDerWaalsContact CB-CE2 3.47Å; W391-F422 HydrophobicContact CB-CZ 3.81Å; W391-F422 AromaticContact CD1-CD1 3.38Å; W391-F422 AromaticContact CD1-CD2 3.29Å; W391-F422 AromaticContact CD1-CE1 3.7Å; W391-F422 AromaticContact CD1-CE2 3.62Å; W391-F422 AromaticContact CD1-CG 3.14Å; W391-F422 AromaticContact CD1-CZ 3.8Å; W391-F422 AromaticContact CD2-CD1 3.8Å; W391-F422 HydrophobicContact CD2-CD1 3.8Å; W391-F422 HydrophobicContact CD2-CD2 4.36Å; W391-F422 AromaticContact CD2-CE1 3.34Å; W391-F422 HydrophobicContact CD2-CE1 3.34Å; W391-F422 AromaticContact CD2-CE2 3.97Å; W391-F422 HydrophobicContact CD2-CE2 3.97Å; W391-F422 HydrophobicContact CD2-CG 4.28Å; W391-F422 AromaticContact CD2-CZ 3.43Å; W391-F422 HydrophobicContact CD2-CZ 3.43Å; W391-F422 VanDerWaalsContact CD2-CZ 3.43Å; W391-F422 AromaticContact CE2-CD1 3.39Å; W391-F422 AromaticContact CE2-CE1 3.32Å; W391-F422 AromaticContact CE2-CZ 3.94Å; W391-F422 AromaticContact CE3-CE1 3.97Å; W391-F422 HydrophobicContact CE3-CE1 3.97Å; W391-F422 AromaticContact CE3-CZ 3.95Å; W391-F422 HydrophobicContact CE3-CZ 3.95Å; W391-F422 AromaticContact CG-CD1 3.78Å; W391-F422 HydrophobicContact CG-CD1 3.78Å; W391-F422 AromaticContact CG-CD2 3.54Å; W391-F422 HydrophobicContact CG-CD2 3.54Å; W391-F422 AromaticContact CG-CE1 3.58Å; W391-F422 HydrophobicContact CG-CE1 3.58Å; W391-F422 AromaticContact CG-CE2 3.33Å; W391-F422 HydrophobicContact CG-CE2 3.33Å; W391-F422 AromaticContact CG-CG 3.75Å; W391-F422 HydrophobicContact CG-CG 3.75Å; W391-F422 AromaticContact CG-CZ 3.34Å; W391-F422 HydrophobicContact CG-CZ 3.34Å; W391-F422 HydrophobicContact CH2-CE1 4.47Å; W391-F422 HydrophobicContact CZ2-CD1 4.07Å; W391-F422 AromaticContact CZ2-CE1 3.92Å; W391-F422 HydrophobicContact CZ2-CE1 3.92Å; W391-F422 AromaticContact NE1-CD1 3.1Å; W391-F422 AromaticContact NE1-CD2 3.96Å; W391-F422 AromaticContact NE1-CE1 3.54Å; W391-F422 AromaticContact NE1-CG 3.33Å; W391-F422 VanDerWaalsContact NE1-CG 3.33Å; W391-C461 HydrophobicContact CE3-CB 3.94Å; W391-C461 HydrophobicContact CH2-CB 3.59Å; W391-C461 HydrophobicContact CZ3-CB 3.26Å; W391-C461 WeakPolarHBondContact CZ3-SG 3.38Å; W391-V465 HydrophobicContact CH2-CG2 3.61Å; W391-V465 HydrophobicContact CZ2-CG2 3.26Å |
| 392 | L | 90 | Very high | 85.5 | Confident | 46 Ų | 46 | 30.3 Ų | 30.3 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 174.9 | -71.3 | 171.1 | 0 | 0 | 0 | 111 | L388 Q389 I394 Y395 E396 | L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 3.03Å; Q389-L392 PolarHBondContact O-N 3.16Å; L392-I394 PolarHBondContact O-N 3.29Å; L392-Y395 PolarHBondContact O-N 3.07Å; L392-E396 WeakPolarHBondContact O-CG 3.35Å; L392-E396 PolarHBondContact O-N 2.8Å |
| 393 | N | 89.6 | Confident | 83.6 | Confident | 33 Ų | 33 | 31.5 Ų | 31.5 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 173.6 | -65.5 | -24.7 | 0 | 0 | 0 | 111.8 | S337 E338 M341 Q389 I390 W391 Y395 A397 | S337-N393 PolarHBondContact OG-ND2 2.96Å; E338-N393 PolarHBondContact N-ND2 3.4Å; M341-N393 HydrophobicContact CB-CB 4.35Å; M341-N393 HydrophobicContact CG-CB 4.45Å; M341-N393 WeakPolarHBondContact CG-O 3.33Å; Q389-N393 PolarHBondContact O-N 3.29Å; Q389-N393 PolarHBondContact O-ND2 2.84Å; I390-N393 WeakPolarHBondContact O-CB 3.45Å; I390-N393 PolarHBondContact O-N 2.96Å; W391-N393 VanDerWaalsContact C-N 3.28Å; W391-N393 PolarHBondContact O-N 3.33Å; N393-Y395 VanDerWaalsContact C-N 3.33Å; N393-Y395 PolarHBondContact O-N 3.01Å; N393-A397 WeakPolarHBondContact O-CB 3.2Å; N393-A397 PolarHBondContact O-N 2.85Å; N393-A397 VanDerWaalsContact O-N 3.13Å |
| 394 | I | 89.1 | Confident | 81.3 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.3 | -68.1 | 169.5 | 0 | 0 | 0 | 110.7 | M341 I345 F364 F367 I390 W391 L392 S398 | M341-I394 HydrophobicContact CE-CB 4.5Å; M341-I394 HydrophobicContact CE-CD1 4.21Å; M341-I394 HydrophobicContact CE-CG1 3.34Å; M341-I394 HydrophobicContact CG-CG1 4.3Å; M341-I394 HydrophobicContact SD-CB 4.35Å; M341-I394 HydrophobicContact SD-CG1 3.58Å; M341-I394 VanDerWaalsContact SD-CG1 3.58Å; I345-I394 HydrophobicContact CD1-CG2 4.12Å; F364-I394 HydrophobicContact CD1-CD1 4.18Å; F364-I394 HydrophobicContact CE1-CD1 4.06Å; F364-I394 HydrophobicContact CE1-CG1 4.04Å; F364-I394 HydrophobicContact CE1-CG2 4.26Å; F367-I394 HydrophobicContact CB-CD1 4.27Å; F367-I394 HydrophobicContact CD2-CD1 4.06Å; F367-I394 HydrophobicContact CG-CD1 4.47Å; I390-I394 HydrophobicContact CG2-CD1 4.1Å; I390-I394 WeakPolarHBondContact O-CG1 3.32Å; I390-I394 PolarHBondContact O-N 3.42Å; W391-I394 WeakPolarHBondContact O-CB 3.5Å; W391-I394 PolarHBondContact O-N 3.5Å; W391-I394 VanDerWaalsContact O-N 3.12Å; L392-I394 PolarHBondContact O-N 3.29Å; I394-S398 WeakPolarHBondContact O-CB 3.36Å; I394-S398 PolarHBondContact O-N 2.94Å; I394-S398 PolarHBondContact O-OG 2.93Å |
| 395 | Y | 86.5 | Confident | 79 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -48.7 | -178.5 | 163.7 | -96.4 | 0 | 0 | 0 | 112.1 | W391 L392 N393 A397 S398 I399 S464 Y468 L469 | W391-Y395 AromaticContact CH2-CD2 3.92Å; W391-Y395 HydrophobicContact CH2-CD2 3.92Å; W391-Y395 AromaticContact CH2-CG 3.88Å; W391-Y395 HydrophobicContact CH2-CG 3.88Å; W391-Y395 HydrophobicContact CZ2-CD2 4.2Å; W391-Y395 HydrophobicContact CZ2-CG 4.3Å; W391-Y395 HydrophobicContact CZ3-CG 4.24Å; W391-Y395 WeakPolarHBondContact O-CB 3.42Å; W391-Y395 PolarHBondContact O-N 3.38Å; L392-Y395 PolarHBondContact O-N 3.07Å; N393-Y395 VanDerWaalsContact C-N 3.33Å; N393-Y395 PolarHBondContact O-N 3.01Å; Y395-A397 PolarHBondContact O-N 3.2Å; Y395-S398 WeakPolarHBondContact O-CB 3.26Å; Y395-S398 PolarHBondContact O-N 3.14Å; Y395-S398 VanDerWaalsContact O-N 3.15Å; Y395-I399 HydrophobicContact CD1-CD1 4.46Å; Y395-I399 HydrophobicContact CD2-CD1 4.3Å; Y395-I399 HydrophobicContact CE1-CD1 3.7Å; Y395-I399 HydrophobicContact CE2-CD1 3.5Å; Y395-I399 HydrophobicContact CE2-CG1 4.21Å; Y395-I399 PolarHBondContact O-N 3.37Å; Y395-I399 VanDerWaalsContact O-N 3.08Å; Y395-I399 WeakPolarHBondContact OH-CD1 3.47Å; Y395-S464 VanDerWaalsContact CZ-CB 3.47Å; Y395-S464 WeakPolarHBondContact OH-CB 3.29Å; Y395-Y468 WeakPolarHBondContact OH-CD2 3.26Å; Y395-Y468 WeakPolarHBondContact OH-CE2 3.48Å; Y395-L469 HydrophobicContact CD2-CD1 4.07Å; Y395-L469 HydrophobicContact CE2-CD1 4.5Å |
| 396 | E | 85.4 | Confident | 76.4 | Confident | 128 Ų | 128 | 48.5 Ų | 48.5 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 178.5 | -72.6 | -174.1 | 173.3 | 0 | 0 | 111.6 | L392 S398 I399 S400 | L392-E396 WeakPolarHBondContact O-CG 3.35Å; L392-E396 PolarHBondContact O-N 2.8Å; E396-S398 VanDerWaalsContact C-N 3.33Å; E396-S398 PolarHBondContact O-N 3.34Å; E396-I399 PolarHBondContact O-N 3.15Å; E396-S400 PolarHBondContact O-N 3.39Å |
| 397 | A | 83.5 | Confident | 73.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -32.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M341 D342 I345 N393 Y395 S400 T401 | M341-A397 HydrophobicContact CB-CB 4.13Å; M341-A397 HydrophobicContact CG-CB 3.62Å; D342-A397 WeakPolarHBondContact OD1-CA 3.35Å; D342-A397 WeakPolarHBondContact OD1-CB 3.43Å; I345-A397 HydrophobicContact CB-CB 4.23Å; I345-A397 HydrophobicContact CG1-CB 3.75Å; N393-A397 WeakPolarHBondContact O-CB 3.2Å; N393-A397 PolarHBondContact O-N 2.85Å; N393-A397 VanDerWaalsContact O-N 3.13Å; Y395-A397 PolarHBondContact O-N 3.2Å; A397-S400 WeakPolarHBondContact CA-OG 3.4Å; A397-S400 PolarHBondContact O-N 2.83Å; A397-S400 PolarHBondContact O-OG 3.47Å; A397-T401 PolarHBondContact O-N 3.06Å; A397-T401 VanDerWaalsContact O-N 3.15Å; A397-T401 PolarHBondContact O-OG1 3.37Å |
| 398 | S | 81.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | I394 Y395 E396 T401 T402 H419 | I394-S398 WeakPolarHBondContact O-CB 3.36Å; I394-S398 PolarHBondContact O-N 2.94Å; I394-S398 PolarHBondContact O-OG 2.93Å; Y395-S398 WeakPolarHBondContact O-CB 3.26Å; Y395-S398 PolarHBondContact O-N 3.14Å; Y395-S398 VanDerWaalsContact O-N 3.15Å; E396-S398 VanDerWaalsContact C-N 3.33Å; E396-S398 PolarHBondContact O-N 3.34Å; S398-T401 PolarHBondContact O-N 2.93Å; S398-T402 WeakPolarHBondContact O-CG2 3.46Å; S398-T402 PolarHBondContact O-N 3.11Å; S398-T402 VanDerWaalsContact O-N 3.07Å; S398-T402 PolarHBondContact O-OG1 2.83Å; S398-H419 PolarHBondContact OG-NE2 2.93Å |
| 399 | I | 73.7 | Confident | 69.3 | Low | 51 Ų | 51 | 62.5 Ų | 62.5 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.8 | -68.9 | 178.8 | 0 | 0 | 0 | 111.2 | Y395 E396 T401 T402 A403 Y468 | Y395-I399 HydrophobicContact CD1-CD1 4.46Å; Y395-I399 HydrophobicContact CD2-CD1 4.3Å; Y395-I399 HydrophobicContact CE1-CD1 3.7Å; Y395-I399 HydrophobicContact CE2-CD1 3.5Å; Y395-I399 HydrophobicContact CE2-CG1 4.21Å; Y395-I399 PolarHBondContact O-N 3.37Å; Y395-I399 VanDerWaalsContact O-N 3.08Å; Y395-I399 WeakPolarHBondContact OH-CD1 3.47Å; E396-I399 PolarHBondContact O-N 3.15Å; I399-T401 PolarHBondContact O-N 3.29Å; I399-T402 PolarHBondContact O-N 3.19Å; I399-T402 PolarHBondContact O-OG1 3.44Å; I399-A403 PolarHBondContact O-N 3.13Å; I399-Y468 HydrophobicContact CD1-CD1 4.33Å; I399-Y468 HydrophobicContact CD1-CD2 4.18Å; I399-Y468 HydrophobicContact CD1-CG 3.84Å |
| 400 | S | 70.6 | Confident | 67.3 | Low | 47 Ų | 47 | 66 Ų | 66 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 178.8 | 73.9 | 0 | 0 | 0 | 0 | 111 | D342 E396 A397 Y404 | D342-S400 PolarHBondContact OD1-OG 3.03Å; E396-S400 PolarHBondContact O-N 3.39Å; A397-S400 WeakPolarHBondContact CA-OG 3.4Å; A397-S400 PolarHBondContact O-N 2.83Å; A397-S400 PolarHBondContact O-OG 3.47Å; S400-Y404 VanDerWaalsContact O-CD2 3.32Å; S400-Y404 WeakPolarHBondContact O-CD2 3.48Å |
| 401 | T | 65 | Low | 65.4 | Low | 12 Ų | 12 | 67.4 Ų | 67.4 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -76.2 | -39.1 | -176.9 | -44 | 0 | 0 | 0 | 0 | 113.4 | I345 A397 S398 I399 A403 Y404 T405 | I345-T401 HydrophobicContact CG2-CG2 4.4Å; I345-T401 WeakPolarHBondContact CG2-OG1 3.25Å; A397-T401 PolarHBondContact O-N 3.06Å; A397-T401 VanDerWaalsContact O-N 3.15Å; A397-T401 PolarHBondContact O-OG1 3.37Å; S398-T401 PolarHBondContact O-N 2.93Å; I399-T401 PolarHBondContact O-N 3.29Å; T401-A403 PolarHBondContact O-N 3.41Å; T401-Y404 PolarHBondContact O-N 3.34Å; T401-Y404 VanDerWaalsContact O-N 3.13Å; T401-T405 PolarHBondContact O-OG1 3.21Å |
| 402 | T | 56.9 | Low | 64 | Low | 62 Ų | 62 | 72 Ų | 72 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -26.2 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 113 | S398 I399 Y404 | S398-T402 WeakPolarHBondContact O-CG2 3.46Å; S398-T402 PolarHBondContact O-N 3.11Å; S398-T402 VanDerWaalsContact O-N 3.07Å; S398-T402 PolarHBondContact O-OG1 2.83Å; I399-T402 PolarHBondContact O-N 3.19Å; I399-T402 PolarHBondContact O-OG1 3.44Å; T402-Y404 PolarHBondContact O-N 2.96Å |
| 403 | A | 50.6 | Low | 63.1 | Low | 74 Ų | 74 | 74.9 Ų | 74.9 | 61% | 0.612 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I399 T401 | I399-A403 PolarHBondContact O-N 3.13Å; T401-A403 PolarHBondContact O-N 3.41Å |
| 404 | Y | 45.3 | Very low | 62.5 | Low | 207 Ų | 207 | 74.8 Ų | 74.8 | 81% | 0.812 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -12.9 | -174.8 | -75.5 | -79.8 | 0 | 0 | 0 | 115.1 | S400 T401 T402 | S400-Y404 VanDerWaalsContact O-CD2 3.32Å; S400-Y404 WeakPolarHBondContact O-CD2 3.48Å; T401-Y404 PolarHBondContact O-N 3.34Å; T401-Y404 VanDerWaalsContact O-N 3.13Å; T402-Y404 PolarHBondContact O-N 2.96Å |
| 405 | T | 45.2 | Very low | 62.1 | Low | 61 Ų | 61 | 75.2 Ų | 75.2 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | trans | -115.2 | 69.3 | -169.5 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | T401 S407 | T401-T405 PolarHBondContact O-OG1 3.21Å; T405-S407 PolarHBondContact O-N 2.94Å | ||
| 406 | V | 36.9 | Very low | 61.9 | Low | 139 Ų | 139 | 77.6 Ų | 77.6 | 84% | 0.842 | 42% | 0.424 | S | S | * | . | trans | -80.8 | 20.3 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 407 | S | 40.3 | Very low | 62 | Low | 103 Ų | 103 | 79.4 Ų | 79.4 | 72% | 0.72 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -141.2 | -5.3 | -168.8 | 60.4 | 0 | 0 | 0 | 0 | 120.4 | T405 | T405-S407 PolarHBondContact O-N 2.94Š|
| 408 | N | 41.7 | Very low | 62.1 | Low | 102 Ų | 102 | 80 Ų | 80 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | trans | -127.8 | 114.1 | -178.1 | -77.7 | -6.2 | 0 | 0 | 0 | 112.9 | H410 D411 | N408-H410 VanDerWaalsContact C-N 3.31Å; N408-H410 PolarHBondContact O-N 3.06Å; N408-D411 WeakPolarHBondContact CB-OD2 3.46Å; N408-D411 PolarHBondContact ND2-OD2 3.37Å | ||
| 409 | V | 48.2 | Very low | 62.5 | Low | 124 Ų | 124 | 80.1 Ų | 80.1 | 75% | 0.752 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20 | -174.9 | -178.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 410 | H | 48.7 | Very low | 63.3 | Low | 161 Ų | 161 | 79.5 Ų | 79.5 | 75% | 0.745 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.3 | -178.7 | -71.4 | -57.5 | 0 | 0 | 0 | 113.9 | N408 | N408-H410 VanDerWaalsContact C-N 3.31Å; N408-H410 PolarHBondContact O-N 3.06Å |
| 411 | D | 53.4 | Low | 64.2 | Low | 31 Ų | 31 | 79.5 Ų | 79.5 | 17% | 0.166 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -16.1 | -168.3 | -58 | -15.2 | 0 | 0 | 0 | 112.2 | S349 N408 | S349-D411 WeakPolarHBondContact O-CB 3.43Å; N408-D411 WeakPolarHBondContact CB-OD2 3.46Å; N408-D411 PolarHBondContact ND2-OD2 3.37Å |
| 412 | E | 61.1 | Low | 65.5 | Low | 102 Ų | 102 | 79.2 Ų | 79.2 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -76.7 | -23.7 | 178.3 | -74 | -168.5 | 164 | 0 | 0 | 113.8 | K416 | E412-K416 HydrophobicContact CB-CD 4.3Å; E412-K416 VanDerWaalsContact O-CB 3.28Å; E412-K416 WeakPolarHBondContact O-CB 3.45Å; E412-K416 WeakPolarHBondContact O-CG 3.32Å; E412-K416 PolarHBondContact O-N 3.42Å; E412-K416 WeakPolarHBondContact OE2-CE 3.47Å; E412-K416 IonicContact OE2-NZ 3.54Å; E412-K416 PolarHBondContact OE2-NZ 3.5Å |
| 413 | D | 72.1 | Confident | 67.1 | Low | 106 Ų | 106 | 76.2 Ų | 76.2 | 57% | 0.567 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70.6 | -38.8 | -169.4 | -78.8 | -16.1 | 0 | 0 | 0 | 113.3 | R417 | D413-R417 VanDerWaalsContact O-CB 3.3Å; D413-R417 WeakPolarHBondContact O-CB 3.41Å; D413-R417 PolarHBondContact O-N 2.9Å |
| 414 | A | 77.4 | Confident | 69.1 | Low | 31 Ų | 31 | 77.6 Ų | 77.6 | 26% | 0.256 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.9 | -45.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | L348 R417 I418 | L348-A414 HydrophobicContact CD2-CB 4.43Å; L348-A414 HydrophobicContact CG-CB 4.29Å; A414-R417 PolarHBondContact O-N 3.13Å; A414-I418 WeakPolarHBondContact O-CG1 3.33Å; A414-I418 PolarHBondContact O-N 3.47Å; A414-I418 VanDerWaalsContact O-N 3.1Å |
| 415 | I | 81 | Confident | 71.3 | Confident | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 177.5 | -65.7 | 173.4 | 0 | 0 | 0 | 109.6 | I345 L348 R417 I418 H419 | I345-I415 HydrophobicContact CG2-CD1 4.05Å; L348-I415 HydrophobicContact CD2-CG1 4.09Å; I415-R417 VanDerWaalsContact C-N 3.3Å; I415-R417 PolarHBondContact O-N 3.17Å; I415-I418 PolarHBondContact O-N 3.31Å; I415-H419 PolarHBondContact O-CD2 2.94Å; I415-H419 PolarHBondContact O-N 3.04Å; I415-H419 VanDerWaalsContact O-N 3.1Å |
| 416 | K | 82.1 | Confident | 73.6 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 176.3 | -76.2 | 177 | -176 | 167.3 | 0 | 112.3 | E412 T420 L471 | E412-K416 HydrophobicContact CB-CD 4.3Å; E412-K416 VanDerWaalsContact O-CB 3.28Å; E412-K416 WeakPolarHBondContact O-CB 3.45Å; E412-K416 WeakPolarHBondContact O-CG 3.32Å; E412-K416 PolarHBondContact O-N 3.42Å; E412-K416 WeakPolarHBondContact OE2-CE 3.47Å; E412-K416 IonicContact OE2-NZ 3.54Å; E412-K416 PolarHBondContact OE2-NZ 3.5Å; K416-T420 WeakPolarHBondContact O-CB 3.25Å; K416-T420 PolarHBondContact O-N 2.66Å; K416-T420 PolarHBondContact O-OG1 3.05Å; K416-L471 HydrophobicContact CB-CD2 3.87Å; K416-L471 HydrophobicContact CD-CD2 4.33Å; K416-L471 HydrophobicContact CG-CD2 3.77Å |
| 417 | R | 85.8 | Confident | 76.3 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.2 | -47.5 | 177.2 | -179.2 | -179.9 | 170.6 | 175.7 | -0.5 | 112.1 | D413 A414 I415 H419 T420 E421 | D413-R417 VanDerWaalsContact O-CB 3.3Å; D413-R417 WeakPolarHBondContact O-CB 3.41Å; D413-R417 PolarHBondContact O-N 2.9Å; A414-R417 PolarHBondContact O-N 3.13Å; I415-R417 VanDerWaalsContact C-N 3.3Å; I415-R417 PolarHBondContact O-N 3.17Å; R417-H419 PolarHBondContact O-N 3.44Å; R417-T420 PolarHBondContact O-N 3.09Å; R417-E421 IonicContact CZ-OE1 2.82Å; R417-E421 IonicContact NE-OE1 3.48Å; R417-E421 PolarHBondContact NE-OE1 3.36Å; R417-E421 IonicContact NH2-OE1 3.89Å; R417-E421 PolarHBondContact NH2-OE1 3.14Å; R417-E421 WeakPolarHBondContact O-CB 3.41Å; R417-E421 WeakPolarHBondContact O-CG 3.33Å; R417-E421 PolarHBondContact O-N 3.47Å |
| 418 | I | 87.5 | Confident | 78.7 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 179.8 | -69.7 | 161.4 | 0 | 0 | 0 | 110.8 | L348 F364 A414 I415 T420 E421 F422 | L348-I418 HydrophobicContact CD1-CD1 4.49Å; L348-I418 HydrophobicContact CD2-CD1 3.32Å; F364-I418 HydrophobicContact CB-CD1 4.01Å; F364-I418 HydrophobicContact CB-CG1 4.46Å; F364-I418 HydrophobicContact CD1-CD1 3.61Å; F364-I418 HydrophobicContact CD1-CG1 4.41Å; F364-I418 HydrophobicContact CD1-CG2 4.08Å; F364-I418 HydrophobicContact CD2-CD1 4.31Å; F364-I418 HydrophobicContact CE1-CD1 4.11Å; F364-I418 HydrophobicContact CG-CD1 3.71Å; A414-I418 WeakPolarHBondContact O-CG1 3.33Å; A414-I418 PolarHBondContact O-N 3.47Å; A414-I418 VanDerWaalsContact O-N 3.1Å; I415-I418 PolarHBondContact O-N 3.31Å; I418-T420 PolarHBondContact O-N 3.42Å; I418-E421 PolarHBondContact O-N 3.39Å; I418-F422 PolarHBondContact O-N 2.89Å |
| 419 | H | 89.3 | Confident | 81 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177 | -77.6 | -67.1 | 0 | 0 | 0 | 111.8 | W391 S398 I415 R417 E421 F422 L423 L469 L471 | W391-H419 AromaticContact CE2-ND1 3.83Å; W391-H419 AromaticContact CZ2-ND1 3.82Å; W391-H419 AromaticContact NE1-CE1 3.74Å; W391-H419 AromaticContact NE1-ND1 3.26Å; W391-H419 PolarHBondContact NE1-ND1 2.93Å; S398-H419 PolarHBondContact OG-NE2 2.93Å; I415-H419 PolarHBondContact O-CD2 2.94Å; I415-H419 PolarHBondContact O-N 3.04Å; I415-H419 VanDerWaalsContact O-N 3.1Å; R417-H419 PolarHBondContact O-N 3.44Å; H419-E421 VanDerWaalsContact C-N 3.35Å; H419-E421 PolarHBondContact O-N 2.71Å; H419-F422 WeakPolarHBondContact O-CB 3.25Å; H419-F422 PolarHBondContact O-N 3.48Å; H419-L423 VanDerWaalsContact O-CG 3.31Å; H419-L423 WeakPolarHBondContact O-CG 3.22Å; H419-L423 PolarHBondContact O-N 3.44Å; H419-L469 HydrophobicContact CB-CD1 4.28Å; H419-L469 VanDerWaalsContact CD2-CD1 3.45Å; H419-L469 WeakPolarHBondContact CD2-CD1 3.36Å; H419-L469 WeakPolarHBondContact NE2-CD1 3.25Å; H419-L471 HydrophobicContact CB-CD1 3.46Å; H419-L471 VanDerWaalsContact CB-CD1 3.46Å |
| 420 | T | 89.8 | Confident | 83 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.239 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 112 | K416 R417 I418 F422 L423 Q424 | K416-T420 WeakPolarHBondContact O-CB 3.25Å; K416-T420 PolarHBondContact O-N 2.66Å; K416-T420 PolarHBondContact O-OG1 3.05Å; R417-T420 PolarHBondContact O-N 3.09Å; I418-T420 PolarHBondContact O-N 3.42Å; T420-F422 VanDerWaalsContact C-N 3.34Å; T420-L423 PolarHBondContact O-N 2.84Å; T420-Q424 WeakPolarHBondContact O-CG 3.43Å; T420-Q424 PolarHBondContact O-N 3.45Å; T420-Q424 VanDerWaalsContact O-N 3.17Å |
| 421 | E | 90.4 | Very high | 85.1 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.5 | -33.5 | 176.9 | -82.5 | -165 | -145.7 | 0 | 0 | 112.7 | L368 R417 I418 H419 R425 | L368-E421 HydrophobicContact CD1-CB 3.89Å; L368-E421 WeakPolarHBondContact CD1-OE2 3.39Å; L368-E421 HydrophobicContact CD2-CB 4.38Å; R417-E421 IonicContact CZ-OE1 2.82Å; R417-E421 IonicContact NE-OE1 3.48Å; R417-E421 PolarHBondContact NE-OE1 3.36Å; R417-E421 IonicContact NH2-OE1 3.89Å; R417-E421 PolarHBondContact NH2-OE1 3.14Å; R417-E421 WeakPolarHBondContact O-CB 3.41Å; R417-E421 WeakPolarHBondContact O-CG 3.33Å; R417-E421 PolarHBondContact O-N 3.47Å; I418-E421 PolarHBondContact O-N 3.39Å; H419-E421 VanDerWaalsContact C-N 3.35Å; H419-E421 PolarHBondContact O-N 2.71Å; E421-R425 PolarHBondContact O-NH1 3.34Å; E421-R425 IonicContact OE2-NH1 3.05Å; E421-R425 IonicContact OE2-NH2 2.8Å |
| 422 | F | 91.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.6 | -48.8 | 170.5 | 169.8 | -96.5 | 0 | 0 | 0 | 111.4 | L368 F371 L388 W391 I418 H419 T420 Q424 R425 A426 L458 | L368-F422 HydrophobicContact CD2-CB 3.91Å; F371-F422 AromaticContact CD1-CD2 3.91Å; F371-F422 HydrophobicContact CD1-CD2 3.91Å; F371-F422 AromaticContact CD1-CE2 3.66Å; F371-F422 HydrophobicContact CD1-CE2 3.66Å; F371-F422 HydrophobicContact CD2-CE2 4.48Å; F371-F422 HydrophobicContact CE1-CD2 4.08Å; F371-F422 AromaticContact CE1-CE2 3.46Å; F371-F422 HydrophobicContact CE1-CE2 3.46Å; F371-F422 VanDerWaalsContact CE1-CE2 3.46Å; F371-F422 AromaticContact CE1-CZ 3.99Å; F371-F422 HydrophobicContact CE1-CZ 3.99Å; F371-F422 HydrophobicContact CE2-CE2 4.36Å; F371-F422 HydrophobicContact CG-CD2 4.5Å; F371-F422 HydrophobicContact CG-CE2 4.17Å; F371-F422 AromaticContact CZ-CE2 3.89Å; F371-F422 HydrophobicContact CZ-CE2 3.89Å; F371-F422 HydrophobicContact CZ-CZ 4.21Å; L388-F422 HydrophobicContact CD1-CZ 3.96Å; W391-F422 HydrophobicContact CB-CD2 3.9Å; W391-F422 HydrophobicContact CB-CE2 3.47Å; W391-F422 VanDerWaalsContact CB-CE2 3.47Å; W391-F422 HydrophobicContact CB-CZ 3.81Å; W391-F422 AromaticContact CD1-CD1 3.38Å; W391-F422 AromaticContact CD1-CD2 3.29Å; W391-F422 AromaticContact CD1-CE1 3.7Å; W391-F422 AromaticContact CD1-CE2 3.62Å; W391-F422 AromaticContact CD1-CG 3.14Å; W391-F422 AromaticContact CD1-CZ 3.8Å; W391-F422 AromaticContact CD2-CD1 3.8Å; W391-F422 HydrophobicContact CD2-CD1 3.8Å; W391-F422 HydrophobicContact CD2-CD2 4.36Å; W391-F422 AromaticContact CD2-CE1 3.34Å; W391-F422 HydrophobicContact CD2-CE1 3.34Å; W391-F422 AromaticContact CD2-CE2 3.97Å; W391-F422 HydrophobicContact CD2-CE2 3.97Å; W391-F422 HydrophobicContact CD2-CG 4.28Å; W391-F422 AromaticContact CD2-CZ 3.43Å; W391-F422 HydrophobicContact CD2-CZ 3.43Å; W391-F422 VanDerWaalsContact CD2-CZ 3.43Å; W391-F422 AromaticContact CE2-CD1 3.39Å; W391-F422 AromaticContact CE2-CE1 3.32Å; W391-F422 AromaticContact CE2-CZ 3.94Å; W391-F422 AromaticContact CE3-CE1 3.97Å; W391-F422 HydrophobicContact CE3-CE1 3.97Å; W391-F422 AromaticContact CE3-CZ 3.95Å; W391-F422 HydrophobicContact CE3-CZ 3.95Å; W391-F422 AromaticContact CG-CD1 3.78Å; W391-F422 HydrophobicContact CG-CD1 3.78Å; W391-F422 AromaticContact CG-CD2 3.54Å; W391-F422 HydrophobicContact CG-CD2 3.54Å; W391-F422 AromaticContact CG-CE1 3.58Å; W391-F422 HydrophobicContact CG-CE1 3.58Å; W391-F422 AromaticContact CG-CE2 3.33Å; W391-F422 HydrophobicContact CG-CE2 3.33Å; W391-F422 AromaticContact CG-CG 3.75Å; W391-F422 HydrophobicContact CG-CG 3.75Å; W391-F422 AromaticContact CG-CZ 3.34Å; W391-F422 HydrophobicContact CG-CZ 3.34Å; W391-F422 HydrophobicContact CH2-CE1 4.47Å; W391-F422 HydrophobicContact CZ2-CD1 4.07Å; W391-F422 AromaticContact CZ2-CE1 3.92Å; W391-F422 HydrophobicContact CZ2-CE1 3.92Å; W391-F422 AromaticContact NE1-CD1 3.1Å; W391-F422 AromaticContact NE1-CD2 3.96Å; W391-F422 AromaticContact NE1-CE1 3.54Å; W391-F422 AromaticContact NE1-CG 3.33Å; W391-F422 VanDerWaalsContact NE1-CG 3.33Å; I418-F422 PolarHBondContact O-N 2.89Å; H419-F422 WeakPolarHBondContact O-CB 3.25Å; H419-F422 PolarHBondContact O-N 3.48Å; T420-F422 VanDerWaalsContact C-N 3.34Å; F422-Q424 PolarHBondContact O-N 3.36Å; F422-R425 PolarHBondContact O-N 3Å; F422-A426 HydrophobicContact CD1-CB 4.38Å; F422-A426 HydrophobicContact CE1-CB 3.95Å; F422-A426 HydrophobicContact CZ-CB 4.06Å; F422-A426 WeakPolarHBondContact O-CB 3.44Å; F422-A426 PolarHBondContact O-N 3.07Å; F422-L458 HydrophobicContact CZ-CD2 4.45Å |
| 423 | L | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.7 | -39.9 | -179.5 | -70.2 | -175.7 | 0 | 0 | 0 | 111.7 | H419 T420 R425 A426 F427 F462 V465 L471 W474 F475 | H419-L423 VanDerWaalsContact O-CG 3.31Å; H419-L423 WeakPolarHBondContact O-CG 3.22Å; H419-L423 PolarHBondContact O-N 3.44Å; T420-L423 PolarHBondContact O-N 2.84Å; L423-R425 PolarHBondContact O-N 3.5Å; L423-A426 PolarHBondContact O-N 3.4Å; L423-F427 WeakPolarHBondContact O-CB 3.49Å; L423-F427 PolarHBondContact O-N 3.22Å; L423-F462 HydrophobicContact CB-CE1 4.17Å; L423-F462 HydrophobicContact CD2-CD1 3.66Å; L423-F462 HydrophobicContact CD2-CE1 3.63Å; L423-F462 HydrophobicContact CD2-CG 4.39Å; L423-F462 HydrophobicContact CD2-CZ 4.34Å; L423-F462 HydrophobicContact CG-CE1 4.37Å; L423-V465 HydrophobicContact CD1-CG1 3.92Å; L423-V465 HydrophobicContact CD2-CB 4.29Å; L423-V465 HydrophobicContact CD2-CG1 4.25Å; L423-V465 HydrophobicContact CD2-CG2 4.1Å; L423-V465 HydrophobicContact CG-CG1 4.41Å; L423-L471 HydrophobicContact CD1-CD1 4.5Å; L423-W474 HydrophobicContact CB-CD2 4.27Å; L423-W474 HydrophobicContact CB-CZ2 4.36Å; L423-W474 HydrophobicContact CD1-CB 4.21Å; L423-W474 HydrophobicContact CD1-CD2 3.92Å; L423-W474 HydrophobicContact CD1-CE3 4.18Å; L423-W474 HydrophobicContact CD1-CG 3.91Å; L423-F475 HydrophobicContact CD1-CE2 4.47Å |
| 424 | Q | 91.8 | Very high | 88.6 | Confident | 102 Ų | 102 | 43.7 Ų | 43.7 | 48% | 0.477 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 176.4 | -71.9 | 174.7 | -7.8 | 0 | 0 | 112.9 | T420 F422 I428 | T420-Q424 WeakPolarHBondContact O-CG 3.43Å; T420-Q424 PolarHBondContact O-N 3.45Å; T420-Q424 VanDerWaalsContact O-N 3.17Å; F422-Q424 PolarHBondContact O-N 3.36Å; Q424-I428 WeakPolarHBondContact O-CG1 3.45Å; Q424-I428 PolarHBondContact O-N 2.84Å |
| 425 | R | 92 | Very high | 88.8 | Confident | 59 Ų | 59 | 46 Ų | 46 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.7 | -41.2 | 178.4 | -67.2 | 169.1 | 173.1 | 92.6 | -9 | 111.5 | L368 F371 S372 E421 F422 L423 F427 I428 K429 | L368-R425 WeakPolarHBondContact O-CD 3.36Å; L368-R425 PolarHBondContact O-NE 3.29Å; F371-R425 HydrophobicContact CD1-CB 3.83Å; F371-R425 HydrophobicContact CE1-CB 4.5Å; S372-R425 VanDerWaalsContact OG-CD 3.25Å; S372-R425 WeakPolarHBondContact OG-CD 3.33Å; S372-R425 PolarHBondContact OG-NE 3.27Å; E421-R425 PolarHBondContact O-NH1 3.34Å; E421-R425 IonicContact OE2-NH1 3.05Å; E421-R425 IonicContact OE2-NH2 2.8Å; F422-R425 PolarHBondContact O-N 3Å; L423-R425 PolarHBondContact O-N 3.5Å; R425-F427 VanDerWaalsContact C-N 3.27Å; R425-F427 PolarHBondContact O-N 3.14Å; R425-I428 PolarHBondContact O-N 3.41Å; R425-I428 VanDerWaalsContact O-N 3.15Å; R425-K429 PolarHBondContact O-N 3.08Å; R425-K429 VanDerWaalsContact O-N 3.14Å |
| 426 | A | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F371 F422 L423 I428 K429 F430 L458 F462 | F371-A426 VanDerWaalsContact CE1-CA 3.41Å; F371-A426 HydrophobicContact CE1-CB 3.72Å; F371-A426 HydrophobicContact CZ-CB 4.38Å; F422-A426 HydrophobicContact CD1-CB 4.38Å; F422-A426 HydrophobicContact CE1-CB 3.95Å; F422-A426 HydrophobicContact CZ-CB 4.06Å; F422-A426 WeakPolarHBondContact O-CB 3.44Å; F422-A426 PolarHBondContact O-N 3.07Å; L423-A426 PolarHBondContact O-N 3.4Å; A426-I428 VanDerWaalsContact C-N 3.29Å; A426-I428 PolarHBondContact O-N 3.41Å; A426-K429 PolarHBondContact O-N 2.75Å; A426-F430 WeakPolarHBondContact O-CB 3.47Å; A426-F430 PolarHBondContact O-N 3.11Å; A426-L458 HydrophobicContact CB-CD2 4.29Å; A426-F462 HydrophobicContact CB-CE2 3.99Å; A426-F462 HydrophobicContact CB-CZ 3.94Å |
| 427 | F | 92.7 | Very high | 88.7 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | 177.9 | -176.4 | -114.4 | 0 | 0 | 0 | 112.2 | L423 R425 F430 H431 F462 W474 E500 A503 L504 I507 | L423-F427 WeakPolarHBondContact O-CB 3.49Å; L423-F427 PolarHBondContact O-N 3.22Å; R425-F427 VanDerWaalsContact C-N 3.27Å; R425-F427 PolarHBondContact O-N 3.14Å; F427-F430 VanDerWaalsContact O-CB 3.25Å; F427-F430 WeakPolarHBondContact O-CB 3.37Å; F427-F430 PolarHBondContact O-N 2.84Å; F427-H431 AromaticContact CE1-NE2 3.67Å; F427-H431 AromaticContact CZ-NE2 3.57Å; F427-F462 HydrophobicContact CB-CZ 4.13Å; F427-W474 HydrophobicContact CB-CH2 4.36Å; F427-W474 HydrophobicContact CB-CZ2 4.11Å; F427-W474 HydrophobicContact CD2-CH2 4.22Å; F427-W474 HydrophobicContact CG-CH2 4.29Å; F427-W474 HydrophobicContact CG-CZ2 4.26Å; F427-E500 HydrophobicContact CE1-CG 4.02Å; F427-E500 HydrophobicContact CZ-CG 3.91Å; F427-A503 HydrophobicContact CD2-CB 4.46Å; F427-A503 HydrophobicContact CE2-CB 3.68Å; F427-A503 HydrophobicContact CZ-CB 4.24Å; F427-L504 HydrophobicContact CD2-CD2 4.1Å; F427-L504 HydrophobicContact CE1-CD2 4.42Å; F427-L504 HydrophobicContact CE2-CB 4.49Å; F427-L504 HydrophobicContact CE2-CD2 3.35Å; F427-L504 HydrophobicContact CE2-CG 3.55Å; F427-L504 HydrophobicContact CZ-CD1 4.12Å; F427-L504 HydrophobicContact CZ-CD2 3.57Å; F427-L504 HydrophobicContact CZ-CG 3.45Å; F427-L504 VanDerWaalsContact CZ-CG 3.45Å; F427-I507 HydrophobicContact CD2-CD1 3.63Å; F427-I507 HydrophobicContact CE2-CD1 4.04Å |
| 428 | I | 90.5 | Very high | 88.5 | Confident | 113 Ų | 113 | 41.6 Ų | 41.6 | 58% | 0.579 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -66.8 | -43.3 | 176.2 | -63.5 | 166.8 | 0 | 0 | 0 | 111.3 | Q424 R425 A426 F430 H431 | Q424-I428 WeakPolarHBondContact O-CG1 3.45Å; Q424-I428 PolarHBondContact O-N 2.84Å; R425-I428 PolarHBondContact O-N 3.41Å; R425-I428 VanDerWaalsContact O-N 3.15Å; A426-I428 VanDerWaalsContact C-N 3.29Å; A426-I428 PolarHBondContact O-N 3.41Å; I428-F430 PolarHBondContact O-N 2.92Å; I428-H431 PolarHBondContact O-N 3.36Å; I428-H431 PolarHBondContact O-ND1 3.15Å |
| 429 | K | 91.8 | Very high | 88.5 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -20 | 176.9 | -71.3 | -70.5 | -176.6 | 176.2 | 0 | 113.3 | F371 L373 G375 E381 S384 R425 A426 H431 F454 L458 | F371-K429 HydrophobicContact CE1-CG 4.47Å; F371-K429 HydrophobicContact CZ-CG 4.46Å; L373-K429 WeakPolarHBondContact O-CE 3.49Å; L373-K429 PolarHBondContact O-NZ 3.09Å; G375-K429 PolarHBondContact O-NZ 3.37Å; E381-K429 IonicContact OE1-NZ 2.69Å; E381-K429 PolarHBondContact OE1-NZ 3.18Å; S384-K429 WeakPolarHBondContact OG-CE 3.48Å; S384-K429 PolarHBondContact OG-NZ 3.23Å; R425-K429 PolarHBondContact O-N 3.08Å; R425-K429 VanDerWaalsContact O-N 3.14Å; A426-K429 PolarHBondContact O-N 2.75Å; K429-H431 VanDerWaalsContact C-N 3.31Å; K429-H431 PolarHBondContact O-N 3.06Å; K429-F454 HydrophobicContact CB-CE1 4.31Å; K429-L458 HydrophobicContact CB-CD1 4.3Å |
| 430 | F | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -19.1 | 179.1 | -147.5 | -93.6 | 0 | 0 | 0 | 114 | A426 F427 I428 R455 L458 F462 A503 F506 I507 | A426-F430 WeakPolarHBondContact O-CB 3.47Å; A426-F430 PolarHBondContact O-N 3.11Å; F427-F430 VanDerWaalsContact O-CB 3.25Å; F427-F430 WeakPolarHBondContact O-CB 3.37Å; F427-F430 PolarHBondContact O-N 2.84Å; I428-F430 PolarHBondContact O-N 2.92Å; F430-R455 HydrophobicContact CD1-CG 4.15Å; F430-R455 HydrophobicContact CD2-CG 4.12Å; F430-R455 HydrophobicContact CE1-CG 3.76Å; F430-R455 VanDerWaalsContact CE1-NE 3.33Å; F430-R455 HydrophobicContact CE2-CG 3.74Å; F430-R455 WeakPolarHBondContact CE2-O 3.35Å; F430-R455 HydrophobicContact CG-CG 4.31Å; F430-R455 HydrophobicContact CZ-CG 3.53Å; F430-R455 PolarHBondContact O-NE 3.49Å; F430-L458 HydrophobicContact CD2-CB 3.68Å; F430-L458 HydrophobicContact CD2-CD1 3.96Å; F430-L458 HydrophobicContact CE2-CB 3.69Å; F430-F462 HydrophobicContact CD2-CE2 4.19Å; F430-A503 HydrophobicContact CB-CB 4.49Å; F430-A503 HydrophobicContact CD1-CB 3.8Å; F430-F506 HydrophobicContact CE1-CB 4.12Å; F430-F506 AromaticContact CE1-CD1 3.42Å; F430-F506 HydrophobicContact CE1-CD1 3.42Å; F430-F506 VanDerWaalsContact CE1-CD1 3.42Å; F430-F506 HydrophobicContact CE1-CE1 4.13Å; F430-F506 HydrophobicContact CE1-CG 4.05Å; F430-F506 AromaticContact CZ-CD1 3.39Å; F430-F506 HydrophobicContact CZ-CD1 3.39Å; F430-F506 AromaticContact CZ-CE1 3.73Å; F430-F506 HydrophobicContact CZ-CE1 3.73Å; F430-F506 HydrophobicContact CZ-CG 4.43Å; F430-I507 HydrophobicContact CD1-CG1 4.48Å; F430-I507 HydrophobicContact CE1-CG1 4.19Å; F430-I507 HydrophobicContact CZ-CG1 4.26Å |
| 431 | H | 91.7 | Very high | 87.7 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -70.6 | 139.5 | -175.8 | -65 | 138.2 | 0 | 0 | 0 | 112.7 | H376 F427 I428 K429 Q499 | H376-H431 PolarHBondContact CE1-O 2.92Å; H376-H431 PolarHBondContact ND1-O 3.26Å; F427-H431 AromaticContact CE1-NE2 3.67Å; F427-H431 AromaticContact CZ-NE2 3.57Å; I428-H431 PolarHBondContact O-N 3.36Å; I428-H431 PolarHBondContact O-ND1 3.15Å; K429-H431 VanDerWaalsContact C-N 3.31Å; K429-H431 PolarHBondContact O-N 3.06Å; H431-Q499 HydrophobicContact CB-CB 4.1Å; H431-Q499 PolarHBondContact CD2-O 2.75Å |
| 432 | Y | 89.9 | Confident | 87.4 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 153.1 | 163.6 | -84.8 | -86.1 | 0 | 0 | 0 | 111.5 | L436 Y439 W451 R455 W498 Q499 E502 I593 | Y432-L436 HydrophobicContact CD1-CD2 4.09Å; Y432-Y439 HydrophobicContact CE1-CE1 4.38Å; Y432-W451 AromaticContact CD1-CH2 3.28Å; Y432-W451 HydrophobicContact CD1-CH2 3.28Å; Y432-W451 HydrophobicContact CD1-CZ2 4.23Å; Y432-W451 AromaticContact CD1-CZ3 3.58Å; Y432-W451 HydrophobicContact CD1-CZ3 3.58Å; Y432-W451 AromaticContact CD2-CH2 3.73Å; Y432-W451 HydrophobicContact CD2-CH2 3.73Å; Y432-W451 HydrophobicContact CE1-CE3 4.41Å; Y432-W451 AromaticContact CE1-CH2 3.31Å; Y432-W451 HydrophobicContact CE1-CH2 3.31Å; Y432-W451 AromaticContact CE1-CZ3 3.2Å; Y432-W451 HydrophobicContact CE1-CZ3 3.2Å; Y432-W451 AromaticContact CE2-CH2 3.77Å; Y432-W451 HydrophobicContact CE2-CH2 3.77Å; Y432-W451 HydrophobicContact CE2-CZ3 4.28Å; Y432-W451 AromaticContact CG-CH2 3.48Å; Y432-W451 HydrophobicContact CG-CH2 3.48Å; Y432-W451 VanDerWaalsContact CG-CH2 3.48Å; Y432-W451 HydrophobicContact CG-CZ2 4.22Å; Y432-W451 HydrophobicContact CG-CZ3 4.24Å; Y432-W451 AromaticContact CZ-CH2 3.53Å; Y432-W451 AromaticContact CZ-CZ3 3.58Å; Y432-R455 PolarHBondContact OH-NH1 2.88Å; Y432-W498 VanDerWaalsContact CB-CH2 3.43Å; Y432-W498 HydrophobicContact CD1-CH2 4.44Å; Y432-W498 AromaticContact CD2-CH2 3.9Å; Y432-W498 HydrophobicContact CD2-CH2 3.9Å; Y432-W498 HydrophobicContact CD2-CZ3 4Å; Y432-W498 AromaticContact CG-CH2 3.7Å; Y432-W498 HydrophobicContact CG-CH2 3.7Å; Y432-W498 HydrophobicContact CG-CZ3 4.28Å; Y432-Q499 WeakPolarHBondContact O-CG 3.27Å; Y432-E502 WeakPolarHBondContact CD2-OE2 3.49Å; Y432-I593 HydrophobicContact CD1-CD1 4.3Å; Y432-I593 HydrophobicContact CD2-CG2 4.29Å; Y432-I593 HydrophobicContact CE1-CD1 4.1Å; Y432-I593 HydrophobicContact CE2-CD1 4.47Å; Y432-I593 HydrophobicContact CE2-CG2 3.69Å |
| 433 | P | 87.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 145.4 | 168 | -25.4 | 35.6 | 0 | 0 | 0 | 112.4 | D435 Y439 W443 | P433-D435 VanDerWaalsContact C-N 3.33Å; P433-D435 PolarHBondContact O-N 3.06Å; P433-Y439 HydrophobicContact CG-CD2 4.08Å; P433-W443 HydrophobicContact CG-CH2 3.99Å; P433-W443 HydrophobicContact CG-CZ2 3.74Å |
| 434 | K | 82.4 | Confident | 87 | Confident | 175 Ų | 175 | 49.3 Ų | 49.3 | 76% | 0.761 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -62.3 | -40.2 | 176.4 | -76.5 | -177.2 | 176.6 | -177.1 | 0 | 113.1 | Q499 | K434-Q499 VanDerWaalsContact CA-NE2 3.3Š|
| 435 | D | 82.2 | Confident | 86.6 | Confident | 80 Ų | 80 | 48.2 Ų | 48.2 | 43% | 0.428 | 24% | 0.24 | S | C | . | . | trans | -94.2 | 95.9 | 174.6 | -168.8 | -9.8 | 0 | 0 | 0 | 110.3 | P433 N437 Q438 Y439 | P433-D435 VanDerWaalsContact C-N 3.33Å; P433-D435 PolarHBondContact O-N 3.06Å; D435-N437 PolarHBondContact O-N 3.22Å; D435-N437 WeakPolarHBondContact OD1-CA 3.34Å; D435-N437 VanDerWaalsContact OD1-CB 3.29Å; D435-N437 WeakPolarHBondContact OD1-CB 3.34Å; D435-N437 PolarHBondContact OD1-N 3.01Å; D435-Q438 HydrophobicContact CB-CB 3.99Å; D435-Q438 WeakPolarHBondContact O-CB 3.37Å; D435-Q438 PolarHBondContact O-N 2.95Å; D435-Q438 PolarHBondContact OD1-N 3.26Å; D435-Y439 PolarHBondContact O-N 3.31Å | ||
| 436 | L | 84.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -28.5 | 174.6 | -74.9 | 178 | 0 | 0 | 0 | 112.1 | Y432 Q438 Y439 Y440 W498 P589 Q590 I593 | Y432-L436 HydrophobicContact CD1-CD2 4.09Å; L436-Q438 VanDerWaalsContact C-N 3.29Å; L436-Q438 PolarHBondContact O-N 3.36Å; L436-Y439 HydrophobicContact CD2-CD1 4.5Å; L436-Y439 WeakPolarHBondContact O-CB 3.47Å; L436-Y439 PolarHBondContact O-N 3.49Å; L436-Y440 HydrophobicContact CB-CD2 4.24Å; L436-Y440 HydrophobicContact CB-CE2 4.05Å; L436-Y440 HydrophobicContact CD2-CE2 4.17Å; L436-Y440 WeakPolarHBondContact O-CD2 3.14Å; L436-Y440 PolarHBondContact O-N 2.95Å; L436-W498 HydrophobicContact CD1-CH2 3.93Å; L436-W498 HydrophobicContact CD1-CZ2 3.71Å; L436-W498 HydrophobicContact CD2-CH2 3.97Å; L436-W498 HydrophobicContact CD2-CZ2 3.99Å; L436-W498 HydrophobicContact CG-CH2 4.21Å; L436-W498 HydrophobicContact CG-CZ2 3.82Å; L436-P589 HydrophobicContact CB-CG 4.13Å; L436-P589 HydrophobicContact CD1-CB 4.02Å; L436-P589 HydrophobicContact CD1-CG 3.96Å; L436-Q590 HydrophobicContact CD1-CB 4.37Å; L436-Q590 HydrophobicContact CD1-CG 3.75Å; L436-I593 HydrophobicContact CD1-CD1 3.75Å; L436-I593 HydrophobicContact CD2-CD1 3.85Å; L436-I593 HydrophobicContact CG-CD1 4.49Å |
| 437 | N | 77.8 | Confident | 86.2 | Confident | 89 Ų | 89 | 54 Ų | 54 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175.6 | -68.9 | -41.9 | 0 | 0 | 0 | 110.3 | D435 Y439 Y440 T441 Y640 | D435-N437 PolarHBondContact O-N 3.22Å; D435-N437 WeakPolarHBondContact OD1-CA 3.34Å; D435-N437 VanDerWaalsContact OD1-CB 3.29Å; D435-N437 WeakPolarHBondContact OD1-CB 3.34Å; D435-N437 PolarHBondContact OD1-N 3.01Å; N437-Y439 VanDerWaalsContact C-N 3.35Å; N437-Y440 PolarHBondContact O-N 2.93Å; N437-T441 VanDerWaalsContact O-CB 3.29Å; N437-T441 WeakPolarHBondContact O-CB 3.25Å; N437-T441 WeakPolarHBondContact O-CG2 3.32Å; N437-T441 PolarHBondContact O-N 2.74Å; N437-T441 PolarHBondContact O-OG1 3.28Å; N437-Y640 PolarHBondContact OD1-OH 2.91Å |
| 438 | Q | 81.8 | Confident | 86.1 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 173.4 | -172.6 | -178.2 | -0.6 | 0 | 0 | 111.2 | D435 L436 Y440 T441 V442 W443 | D435-Q438 HydrophobicContact CB-CB 3.99Å; D435-Q438 WeakPolarHBondContact O-CB 3.37Å; D435-Q438 PolarHBondContact O-N 2.95Å; D435-Q438 PolarHBondContact OD1-N 3.26Å; L436-Q438 VanDerWaalsContact C-N 3.29Å; L436-Q438 PolarHBondContact O-N 3.36Å; Q438-Y440 PolarHBondContact O-N 3.04Å; Q438-T441 PolarHBondContact O-N 2.8Å; Q438-V442 HydrophobicContact CB-CG2 4.48Å; Q438-V442 HydrophobicContact CG-CB 3.82Å; Q438-V442 HydrophobicContact CG-CG1 4.36Å; Q438-V442 HydrophobicContact CG-CG2 3.9Å; Q438-V442 WeakPolarHBondContact O-CA 3.01Å; Q438-V442 VanDerWaalsContact O-CB 3.27Å; Q438-V442 WeakPolarHBondContact O-CB 3.48Å; Q438-V442 PolarHBondContact O-N 3.04Å; Q438-W443 PolarHBondContact O-N 3.35Å |
| 439 | Y | 86 | Confident | 85.9 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 176.1 | 176.1 | -99.3 | 0 | 0 | 0 | 112.6 | Y432 P433 D435 L436 N437 W443 R448 W451 | Y432-Y439 HydrophobicContact CE1-CE1 4.38Å; P433-Y439 HydrophobicContact CG-CD2 4.08Å; D435-Y439 PolarHBondContact O-N 3.31Å; L436-Y439 HydrophobicContact CD2-CD1 4.5Å; L436-Y439 WeakPolarHBondContact O-CB 3.47Å; L436-Y439 PolarHBondContact O-N 3.49Å; N437-Y439 VanDerWaalsContact C-N 3.35Å; Y439-W443 AromaticContact CD2-CD2 3.96Å; Y439-W443 HydrophobicContact CD2-CD2 3.96Å; Y439-W443 AromaticContact CD2-CE3 3.69Å; Y439-W443 HydrophobicContact CD2-CE3 3.69Å; Y439-W443 HydrophobicContact CD2-CZ3 4.03Å; Y439-W443 AromaticContact CE2-CE3 3.89Å; Y439-W443 HydrophobicContact CE2-CE3 3.89Å; Y439-W443 HydrophobicContact CE2-CZ3 4.08Å; Y439-W443 WeakPolarHBondContact O-CB 3.3Å; Y439-R448 HydrophobicContact CD2-CG 4.21Å; Y439-R448 HydrophobicContact CE1-CG 4.31Å; Y439-R448 HydrophobicContact CE2-CB 4.32Å; Y439-R448 HydrophobicContact CE2-CG 3.68Å; Y439-R448 WeakPolarHBondContact O-CD 3.29Å; Y439-R448 PolarHBondContact O-NH1 2.94Å; Y439-W451 HydrophobicContact CE2-CD2 4.45Å; Y439-W451 AromaticContact CE2-CE3 3.8Å; Y439-W451 HydrophobicContact CE2-CE3 3.8Å; Y439-W451 HydrophobicContact CE2-CZ3 4.18Å |
| 440 | Y | 82.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -82 | -27.7 | -178.5 | -66.9 | -70.2 | 0 | 0 | 0 | 114.4 | L436 N437 Q438 R448 N639 Y640 D643 | L436-Y440 HydrophobicContact CB-CD2 4.24Å; L436-Y440 HydrophobicContact CB-CE2 4.05Å; L436-Y440 HydrophobicContact CD2-CE2 4.17Å; L436-Y440 WeakPolarHBondContact O-CD2 3.14Å; L436-Y440 PolarHBondContact O-N 2.95Å; N437-Y440 PolarHBondContact O-N 2.93Å; Q438-Y440 PolarHBondContact O-N 3.04Å; Y440-R448 VanDerWaalsContact C-NH1 3.31Å; Y440-R448 PolarHBondContact O-NH1 3.31Å; Y440-N639 VanDerWaalsContact CD1-O 3.23Å; Y440-N639 WeakPolarHBondContact CD1-O 3.32Å; Y440-Y640 HydrophobicContact CD1-CD1 4.33Å; Y440-Y640 AromaticContact CD2-CD1 3.72Å; Y440-Y640 HydrophobicContact CD2-CD1 3.72Å; Y440-Y640 AromaticContact CD2-CE1 3.25Å; Y440-Y640 HydrophobicContact CD2-CE1 3.25Å; Y440-Y640 HydrophobicContact CE1-CD1 4.17Å; Y440-Y640 AromaticContact CE2-CD1 3.58Å; Y440-Y640 HydrophobicContact CE2-CD1 3.58Å; Y440-Y640 AromaticContact CE2-CE1 3.37Å; Y440-Y640 HydrophobicContact CE2-CE1 3.37Å; Y440-Y640 HydrophobicContact CG-CD1 4.12Å; Y440-Y640 AromaticContact CG-CE1 3.94Å; Y440-Y640 HydrophobicContact CG-CE1 3.94Å; Y440-Y640 AromaticContact CZ-CD1 3.8Å; Y440-D643 WeakPolarHBondContact CE1-OD2 3.41Å; Y440-D643 PolarHBondContact OH-OD2 3.15Å |
| 441 | T | 81 | Confident | 86.1 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -106.5 | -29.6 | -172.6 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | N437 Q438 | N437-T441 VanDerWaalsContact O-CB 3.29Å; N437-T441 WeakPolarHBondContact O-CB 3.25Å; N437-T441 WeakPolarHBondContact O-CG2 3.32Å; N437-T441 PolarHBondContact O-N 2.74Å; N437-T441 PolarHBondContact O-OG1 3.28Å; Q438-T441 PolarHBondContact O-N 2.8Å |
| 442 | V | 84.7 | Confident | 86 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -41.7 | -175.6 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | Y379 Q438 N444 | Y379-V442 HydrophobicContact CE2-CG1 4.18Å; Y379-V442 VanDerWaalsContact OH-CG1 3.22Å; Y379-V442 WeakPolarHBondContact OH-CG1 3.23Å; Q438-V442 HydrophobicContact CB-CG2 4.48Å; Q438-V442 HydrophobicContact CG-CB 3.82Å; Q438-V442 HydrophobicContact CG-CG1 4.36Å; Q438-V442 HydrophobicContact CG-CG2 3.9Å; Q438-V442 WeakPolarHBondContact O-CA 3.01Å; Q438-V442 VanDerWaalsContact O-CB 3.27Å; Q438-V442 WeakPolarHBondContact O-CB 3.48Å; Q438-V442 PolarHBondContact O-N 3.04Å; V442-N444 PolarHBondContact O-N 3.47Å |
| 443 | W | 87.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -69.5 | 134.8 | 176.1 | -64.2 | 23.3 | 0 | 0 | 0 | 109.1 | H376 Y379 P433 Q438 Y439 D447 R448 W451 | H376-W443 HydrophobicContact CB-CH2 3.62Å; H376-W443 HydrophobicContact CB-CZ2 3.85Å; Y379-W443 VanDerWaalsContact CB-CE2 3.42Å; Y379-W443 VanDerWaalsContact CB-CZ2 3.4Å; Y379-W443 AromaticContact CD1-CE2 3.78Å; Y379-W443 HydrophobicContact CD1-CZ2 4.03Å; Y379-W443 AromaticContact CD1-NE1 3.28Å; Y379-W443 VanDerWaalsContact CD1-NE1 3.28Å; Y379-W443 AromaticContact CD2-CD1 3.51Å; Y379-W443 HydrophobicContact CD2-CD2 4.2Å; Y379-W443 AromaticContact CD2-CG 3.92Å; Y379-W443 HydrophobicContact CD2-CG 3.92Å; Y379-W443 AromaticContact CD2-NE1 3.55Å; Y379-W443 AromaticContact CE1-NE1 3.67Å; Y379-W443 AromaticContact CE2-CD1 3.67Å; Y379-W443 HydrophobicContact CE2-CG 4.39Å; Y379-W443 AromaticContact CE2-NE1 3.91Å; Y379-W443 AromaticContact CG-CD1 3.72Å; Y379-W443 HydrophobicContact CG-CD2 4.04Å; Y379-W443 AromaticContact CG-CE2 3.45Å; Y379-W443 VanDerWaalsContact CG-CE2 3.45Å; Y379-W443 HydrophobicContact CG-CG 4.2Å; Y379-W443 AromaticContact CG-CZ2 3.85Å; Y379-W443 HydrophobicContact CG-CZ2 3.85Å; Y379-W443 AromaticContact CG-NE1 3.22Å; Y379-W443 AromaticContact CZ-NE1 3.97Å; P433-W443 HydrophobicContact CG-CH2 3.99Å; P433-W443 HydrophobicContact CG-CZ2 3.74Å; Q438-W443 PolarHBondContact O-N 3.35Å; Y439-W443 AromaticContact CD2-CD2 3.96Å; Y439-W443 HydrophobicContact CD2-CD2 3.96Å; Y439-W443 AromaticContact CD2-CE3 3.69Å; Y439-W443 HydrophobicContact CD2-CE3 3.69Å; Y439-W443 HydrophobicContact CD2-CZ3 4.03Å; Y439-W443 AromaticContact CE2-CE3 3.89Å; Y439-W443 HydrophobicContact CE2-CE3 3.89Å; Y439-W443 HydrophobicContact CE2-CZ3 4.08Å; Y439-W443 WeakPolarHBondContact O-CB 3.3Å; W443-D447 HydrophobicContact CB-CB 4.49Å; W443-D447 HydrophobicContact CE3-CB 4.34Å; W443-R448 HydrophobicContact CB-CG 3.94Å; W443-R448 HydrophobicContact CE3-CG 4.2Å; W443-R448 PolarHBondContact O-NH1 3.44Å; W443-W451 HydrophobicContact CH2-CG 4.4Å; W443-W451 HydrophobicContact CZ3-CB 3.84Å; W443-W451 HydrophobicContact CZ3-CD2 4.47Å; W443-W451 AromaticContact CZ3-CG 3.92Å; W443-W451 HydrophobicContact CZ3-CG 3.92Å |
| 444 | N | 86.2 | Confident | 86.4 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 40% | 0.401 | 32% | 0.317 | S | S | . | . | trans | -73.2 | 168.9 | 174.8 | 71.5 | 46.7 | 0 | 0 | 0 | 109.7 | V442 E446 D447 R448 | V442-N444 PolarHBondContact O-N 3.47Å; N444-E446 VanDerWaalsContact C-N 3.31Å; N444-E446 PolarHBondContact O-N 3.36Å; N444-E446 WeakPolarHBondContact OD1-CA 3.23Å; N444-E446 WeakPolarHBondContact OD1-CB 3.49Å; N444-E446 PolarHBondContact OD1-N 3.09Å; N444-D447 VanDerWaalsContact CG-CG 3.46Å; N444-D447 PolarHBondContact ND2-OD1 3.09Å; N444-D447 PolarHBondContact ND2-OD2 2.91Å; N444-D447 VanDerWaalsContact OD1-CG 3.24Å; N444-D447 PolarHBondContact OD1-N 3.32Å; N444-D447 PolarHBondContact OD1-OD1 3.43Å; N444-R448 WeakPolarHBondContact O-CG 3.38Å; N444-R448 PolarHBondContact O-N 3.1Å | ||
| 445 | Q | 84 | Confident | 86.9 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -35.4 | -178.8 | -174.5 | 60.3 | 31.2 | 0 | 0 | 112.4 | R448 D449 | Q445-R448 PolarHBondContact O-N 3.1Å; Q445-D449 PolarHBondContact NE2-OD1 3.04Å; Q445-D449 PolarHBondContact NE2-OD2 2.86Å; Q445-D449 WeakPolarHBondContact O-CB 3.36Å; Q445-D449 PolarHBondContact O-N 2.67Å |
| 446 | E | 87.9 | Confident | 87.3 | Confident | 146 Ų | 146 | 56.3 Ų | 56.3 | 68% | 0.682 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 179.9 | -61.6 | 179 | 177.6 | 0 | 0 | 111.5 | N444 R448 D449 L450 | N444-E446 VanDerWaalsContact C-N 3.31Å; N444-E446 PolarHBondContact O-N 3.36Å; N444-E446 WeakPolarHBondContact OD1-CA 3.23Å; N444-E446 WeakPolarHBondContact OD1-CB 3.49Å; N444-E446 PolarHBondContact OD1-N 3.09Å; E446-R448 VanDerWaalsContact C-N 3.33Å; E446-R448 PolarHBondContact O-N 2.88Å; E446-D449 PolarHBondContact O-N 2.6Å; E446-L450 WeakPolarHBondContact O-CB 3.35Å; E446-L450 VanDerWaalsContact O-CG 3.3Å; E446-L450 WeakPolarHBondContact O-CG 3.17Å; E446-L450 PolarHBondContact O-N 3.04Å |
| 447 | D | 89.9 | Confident | 87.6 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.2 | -62.6 | -15.3 | 0 | 0 | 0 | 111.1 | P378 W443 N444 L450 W451 | P378-D447 WeakPolarHBondContact CD-O 3.13Å; P378-D447 HydrophobicContact CG-CB 4.02Å; W443-D447 HydrophobicContact CB-CB 4.49Å; W443-D447 HydrophobicContact CE3-CB 4.34Å; N444-D447 VanDerWaalsContact CG-CG 3.46Å; N444-D447 PolarHBondContact ND2-OD1 3.09Å; N444-D447 PolarHBondContact ND2-OD2 2.91Å; N444-D447 VanDerWaalsContact OD1-CG 3.24Å; N444-D447 PolarHBondContact OD1-N 3.32Å; N444-D447 PolarHBondContact OD1-OD1 3.43Å; D447-L450 PolarHBondContact O-N 3.4Å; D447-W451 WeakPolarHBondContact O-CB 3.44Å; D447-W451 PolarHBondContact O-N 2.64Å |
| 448 | R | 89.1 | Confident | 88.3 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.1 | -71.4 | -166.2 | -69.2 | -110.1 | 4.4 | 111.8 | Y439 Y440 W443 N444 Q445 E446 L450 W451 L452 | Y439-R448 HydrophobicContact CD2-CG 4.21Å; Y439-R448 HydrophobicContact CE1-CG 4.31Å; Y439-R448 HydrophobicContact CE2-CB 4.32Å; Y439-R448 HydrophobicContact CE2-CG 3.68Å; Y439-R448 WeakPolarHBondContact O-CD 3.29Å; Y439-R448 PolarHBondContact O-NH1 2.94Å; Y440-R448 VanDerWaalsContact C-NH1 3.31Å; Y440-R448 PolarHBondContact O-NH1 3.31Å; W443-R448 HydrophobicContact CB-CG 3.94Å; W443-R448 HydrophobicContact CE3-CG 4.2Å; W443-R448 PolarHBondContact O-NH1 3.44Å; N444-R448 WeakPolarHBondContact O-CG 3.38Å; N444-R448 PolarHBondContact O-N 3.1Å; Q445-R448 PolarHBondContact O-N 3.1Å; E446-R448 VanDerWaalsContact C-N 3.33Å; E446-R448 PolarHBondContact O-N 2.88Å; R448-L450 VanDerWaalsContact C-N 3.34Å; R448-W451 PolarHBondContact O-N 3.22Å; R448-L452 WeakPolarHBondContact O-CB 3.46Å; R448-L452 VanDerWaalsContact O-CG 3.3Å; R448-L452 WeakPolarHBondContact O-CG 3.31Å; R448-L452 PolarHBondContact O-N 3.06Å |
| 449 | D | 87.6 | Confident | 88.7 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.1 | -67.7 | -18.3 | 0 | 0 | 0 | 111 | Q445 E446 L452 K453 | Q445-D449 PolarHBondContact NE2-OD1 3.04Å; Q445-D449 PolarHBondContact NE2-OD2 2.86Å; Q445-D449 WeakPolarHBondContact O-CB 3.36Å; Q445-D449 PolarHBondContact O-N 2.67Å; E446-D449 PolarHBondContact O-N 2.6Å; D449-L452 PolarHBondContact O-N 3.13Å; D449-K453 WeakPolarHBondContact O-CB 3.2Å; D449-K453 PolarHBondContact O-N 3.49Å |
| 450 | L | 91.9 | Very high | 88.8 | Confident | 73 Ų | 73 | 55 Ų | 55 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 172.9 | -75.3 | 174 | 0 | 0 | 0 | 112.1 | Y377 P378 E446 D447 R448 K453 F454 | Y377-L450 HydrophobicContact CE1-CB 4.42Å; P378-L450 HydrophobicContact CG-CB 3.91Å; P378-L450 HydrophobicContact CG-CD1 4.09Å; E446-L450 WeakPolarHBondContact O-CB 3.35Å; E446-L450 VanDerWaalsContact O-CG 3.3Å; E446-L450 WeakPolarHBondContact O-CG 3.17Å; E446-L450 PolarHBondContact O-N 3.04Å; D447-L450 PolarHBondContact O-N 3.4Å; R448-L450 VanDerWaalsContact C-N 3.34Å; L450-K453 PolarHBondContact O-N 3.07Å; L450-F454 WeakPolarHBondContact O-CB 3.3Å; L450-F454 PolarHBondContact O-N 2.86Å |
| 451 | W | 93.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.6 | 179 | 72.4 | 0 | 0 | 0 | 112.2 | Y432 Y439 W443 D447 R448 K453 F454 R455 | Y432-W451 AromaticContact CD1-CH2 3.28Å; Y432-W451 HydrophobicContact CD1-CH2 3.28Å; Y432-W451 HydrophobicContact CD1-CZ2 4.23Å; Y432-W451 AromaticContact CD1-CZ3 3.58Å; Y432-W451 HydrophobicContact CD1-CZ3 3.58Å; Y432-W451 AromaticContact CD2-CH2 3.73Å; Y432-W451 HydrophobicContact CD2-CH2 3.73Å; Y432-W451 HydrophobicContact CE1-CE3 4.41Å; Y432-W451 AromaticContact CE1-CH2 3.31Å; Y432-W451 HydrophobicContact CE1-CH2 3.31Å; Y432-W451 AromaticContact CE1-CZ3 3.2Å; Y432-W451 HydrophobicContact CE1-CZ3 3.2Å; Y432-W451 AromaticContact CE2-CH2 3.77Å; Y432-W451 HydrophobicContact CE2-CH2 3.77Å; Y432-W451 HydrophobicContact CE2-CZ3 4.28Å; Y432-W451 AromaticContact CG-CH2 3.48Å; Y432-W451 HydrophobicContact CG-CH2 3.48Å; Y432-W451 VanDerWaalsContact CG-CH2 3.48Å; Y432-W451 HydrophobicContact CG-CZ2 4.22Å; Y432-W451 HydrophobicContact CG-CZ3 4.24Å; Y432-W451 AromaticContact CZ-CH2 3.53Å; Y432-W451 AromaticContact CZ-CZ3 3.58Å; Y439-W451 HydrophobicContact CE2-CD2 4.45Å; Y439-W451 AromaticContact CE2-CE3 3.8Å; Y439-W451 HydrophobicContact CE2-CE3 3.8Å; Y439-W451 HydrophobicContact CE2-CZ3 4.18Å; W443-W451 HydrophobicContact CH2-CG 4.4Å; W443-W451 HydrophobicContact CZ3-CB 3.84Å; W443-W451 HydrophobicContact CZ3-CD2 4.47Å; W443-W451 AromaticContact CZ3-CG 3.92Å; W443-W451 HydrophobicContact CZ3-CG 3.92Å; D447-W451 WeakPolarHBondContact O-CB 3.44Å; D447-W451 PolarHBondContact O-N 2.64Å; R448-W451 PolarHBondContact O-N 3.22Å; W451-K453 VanDerWaalsContact C-N 3.34Å; W451-K453 PolarHBondContact O-N 3.34Å; W451-F454 PolarHBondContact O-N 2.81Å; W451-R455 VanDerWaalsContact O-CB 3.29Å; W451-R455 WeakPolarHBondContact O-CB 3.46Å; W451-R455 PolarHBondContact O-N 3.49Å |
| 452 | L | 90 | Very high | 89.6 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -40.4 | 174.4 | -72.7 | 172.9 | 0 | 0 | 0 | 111.7 | R448 D449 R455 Q456 | R448-L452 WeakPolarHBondContact O-CB 3.46Å; R448-L452 VanDerWaalsContact O-CG 3.3Å; R448-L452 WeakPolarHBondContact O-CG 3.31Å; R448-L452 PolarHBondContact O-N 3.06Å; D449-L452 PolarHBondContact O-N 3.13Å; L452-R455 PolarHBondContact O-N 3.19Å; L452-Q456 PolarHBondContact O-N 3.37Å |
| 453 | K | 91.2 | Very high | 89.8 | Confident | 128 Ų | 128 | 48.2 Ų | 48.2 | 56% | 0.557 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.7 | -48.1 | 174 | -174.5 | -175.2 | 175.1 | -161.5 | 0 | 111.5 | D449 L450 W451 R455 Q456 E457 | D449-K453 WeakPolarHBondContact O-CB 3.2Å; D449-K453 PolarHBondContact O-N 3.49Å; L450-K453 PolarHBondContact O-N 3.07Å; W451-K453 VanDerWaalsContact C-N 3.34Å; W451-K453 PolarHBondContact O-N 3.34Å; K453-R455 VanDerWaalsContact C-N 3.3Å; K453-R455 PolarHBondContact O-N 3.17Å; K453-Q456 WeakPolarHBondContact O-CB 3.23Å; K453-Q456 PolarHBondContact O-N 3.35Å; K453-Q456 VanDerWaalsContact O-N 3.11Å; K453-E457 VanDerWaalsContact CE-OE1 3.23Å; K453-E457 WeakPolarHBondContact CE-OE1 3.48Å; K453-E457 IonicContact NZ-OE1 2.79Å; K453-E457 WeakPolarHBondContact O-CG 3.43Å; K453-E457 PolarHBondContact O-N 2.89Å |
| 454 | F | 93.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 176.3 | 178 | -108.6 | 0 | 0 | 0 | 111.7 | F371 Y377 L388 K429 L450 W451 Q456 E457 L458 | F371-F454 HydrophobicContact CE2-CZ 4.02Å; F371-F454 HydrophobicContact CZ-CZ 4.15Å; Y377-F454 HydrophobicContact CD1-CB 3.64Å; Y377-F454 AromaticContact CD1-CD1 3.86Å; Y377-F454 HydrophobicContact CD1-CD1 3.86Å; Y377-F454 HydrophobicContact CD1-CD2 4.07Å; Y377-F454 AromaticContact CD1-CG 3.59Å; Y377-F454 HydrophobicContact CD1-CG 3.59Å; Y377-F454 HydrophobicContact CE1-CB 3.73Å; Y377-F454 HydrophobicContact CE1-CD2 4.24Å; Y377-F454 HydrophobicContact CE1-CG 4Å; Y377-F454 HydrophobicContact CG-CD1 4.31Å; Y377-F454 HydrophobicContact CG-CG 4.3Å; L388-F454 HydrophobicContact CB-CE2 4.14Å; L388-F454 HydrophobicContact CD2-CD2 4Å; L388-F454 HydrophobicContact CD2-CE2 3.76Å; K429-F454 HydrophobicContact CB-CE1 4.31Å; L450-F454 WeakPolarHBondContact O-CB 3.3Å; L450-F454 PolarHBondContact O-N 2.86Å; W451-F454 PolarHBondContact O-N 2.81Å; F454-Q456 VanDerWaalsContact C-N 3.34Å; F454-Q456 PolarHBondContact O-N 3.26Å; F454-E457 PolarHBondContact O-N 3.09Å; F454-L458 HydrophobicContact CD1-CD1 4.03Å; F454-L458 HydrophobicContact CE1-CD1 3.48Å; F454-L458 VanDerWaalsContact CE1-CD1 3.48Å; F454-L458 HydrophobicContact CE1-CG 4.14Å; F454-L458 HydrophobicContact CE2-CD2 4.48Å; F454-L458 HydrophobicContact CE2-CG 4.4Å; F454-L458 HydrophobicContact CZ-CD1 3.77Å; F454-L458 HydrophobicContact CZ-CD2 4.2Å; F454-L458 HydrophobicContact CZ-CG 4.07Å; F454-L458 WeakPolarHBondContact O-CG 3.41Å; F454-L458 PolarHBondContact O-N 3.23Å |
| 455 | R | 92.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 174.6 | -169.8 | 176.3 | -177.7 | -136.7 | -7.4 | 112.1 | F430 Y432 W451 L452 K453 S459 E502 | F430-R455 HydrophobicContact CD1-CG 4.15Å; F430-R455 HydrophobicContact CD2-CG 4.12Å; F430-R455 HydrophobicContact CE1-CG 3.76Å; F430-R455 VanDerWaalsContact CE1-NE 3.33Å; F430-R455 HydrophobicContact CE2-CG 3.74Å; F430-R455 WeakPolarHBondContact CE2-O 3.35Å; F430-R455 HydrophobicContact CG-CG 4.31Å; F430-R455 HydrophobicContact CZ-CG 3.53Å; F430-R455 PolarHBondContact O-NE 3.49Å; Y432-R455 PolarHBondContact OH-NH1 2.88Å; W451-R455 VanDerWaalsContact O-CB 3.29Å; W451-R455 WeakPolarHBondContact O-CB 3.46Å; W451-R455 PolarHBondContact O-N 3.49Å; L452-R455 PolarHBondContact O-N 3.19Å; K453-R455 VanDerWaalsContact C-N 3.3Å; K453-R455 PolarHBondContact O-N 3.17Å; R455-S459 WeakPolarHBondContact O-CB 3.47Å; R455-S459 PolarHBondContact O-N 2.89Å; R455-E502 IonicContact CZ-OE1 2.75Å; R455-E502 IonicContact CZ-OE2 2.8Å; R455-E502 IonicContact NH1-OE1 3.65Å; R455-E502 IonicContact NH2-OE1 2.8Å; R455-E502 PolarHBondContact NH2-OE1 3.08Å; R455-E502 IonicContact NH2-OE2 2.78Å; R455-E502 PolarHBondContact NH2-OE2 3.2Å |
| 456 | Q | 90.8 | Very high | 89.4 | Confident | 92 Ų | 92 | 42.2 Ų | 42.2 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.2 | -39.7 | 174.1 | -172.3 | 62.7 | 26.5 | 0 | 0 | 112.2 | L452 K453 F454 S459 N460 | L452-Q456 PolarHBondContact O-N 3.37Å; K453-Q456 WeakPolarHBondContact O-CB 3.23Å; K453-Q456 PolarHBondContact O-N 3.35Å; K453-Q456 VanDerWaalsContact O-N 3.11Å; F454-Q456 VanDerWaalsContact C-N 3.34Å; F454-Q456 PolarHBondContact O-N 3.26Å; Q456-S459 VanDerWaalsContact O-CB 3.31Å; Q456-S459 WeakPolarHBondContact O-CB 3.49Å; Q456-S459 PolarHBondContact O-N 3.49Å; Q456-N460 PolarHBondContact O-N 3.26Å |
| 457 | E | 90.9 | Very high | 88.9 | Confident | 59 Ų | 59 | 40 Ų | 40 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.1 | -71 | 177.3 | -176.2 | 0 | 0 | 111.3 | L388 K453 F454 S459 N460 C461 | L388-E457 HydrophobicContact CD2-CB 3.86Å; K453-E457 VanDerWaalsContact CE-OE1 3.23Å; K453-E457 WeakPolarHBondContact CE-OE1 3.48Å; K453-E457 IonicContact NZ-OE1 2.79Å; K453-E457 WeakPolarHBondContact O-CG 3.43Å; K453-E457 PolarHBondContact O-N 2.89Å; F454-E457 PolarHBondContact O-N 3.09Å; E457-S459 VanDerWaalsContact C-N 3.3Å; E457-S459 PolarHBondContact O-N 3.25Å; E457-N460 WeakPolarHBondContact O-CB 3.38Å; E457-N460 PolarHBondContact O-N 3.1Å; E457-C461 PolarHBondContact O-N 3.44Å; E457-C461 PolarHBondContact O-SG 3.47Å |
| 458 | L | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -39.3 | 171.8 | -69.3 | -180 | 0 | 0 | 0 | 112.4 | F371 L388 F422 A426 K429 F430 F454 N460 C461 F462 | F371-L458 HydrophobicContact CZ-CD2 3.7Å; L388-L458 HydrophobicContact CD1-CD2 3.56Å; L388-L458 HydrophobicContact CD2-CD2 4.04Å; L388-L458 HydrophobicContact CD2-CG 4.49Å; L388-L458 HydrophobicContact CG-CD2 4.39Å; F422-L458 HydrophobicContact CZ-CD2 4.45Å; A426-L458 HydrophobicContact CB-CD2 4.29Å; K429-L458 HydrophobicContact CB-CD1 4.3Å; F430-L458 HydrophobicContact CD2-CB 3.68Å; F430-L458 HydrophobicContact CD2-CD1 3.96Å; F430-L458 HydrophobicContact CE2-CB 3.69Å; F454-L458 HydrophobicContact CD1-CD1 4.03Å; F454-L458 HydrophobicContact CE1-CD1 3.48Å; F454-L458 VanDerWaalsContact CE1-CD1 3.48Å; F454-L458 HydrophobicContact CE1-CG 4.14Å; F454-L458 HydrophobicContact CE2-CD2 4.48Å; F454-L458 HydrophobicContact CE2-CG 4.4Å; F454-L458 HydrophobicContact CZ-CD1 3.77Å; F454-L458 HydrophobicContact CZ-CD2 4.2Å; F454-L458 HydrophobicContact CZ-CG 4.07Å; F454-L458 WeakPolarHBondContact O-CG 3.41Å; F454-L458 PolarHBondContact O-N 3.23Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 2.91Å; L458-C461 CarbonylContact O-C 3.59Å; L458-C461 WeakPolarHBondContact O-CA 3.22Å; L458-C461 WeakPolarHBondContact O-CB 3.45Å; L458-C461 PolarHBondContact O-N 3.44Å; L458-F462 WeakPolarHBondContact O-CD2 3.48Å; L458-F462 PolarHBondContact O-N 3.31Å |
| 459 | S | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.9 | -167.1 | 0 | 0 | 0 | 0 | 111.6 | R455 Q456 E457 C461 F462 L463 S510 | R455-S459 WeakPolarHBondContact O-CB 3.47Å; R455-S459 PolarHBondContact O-N 2.89Å; Q456-S459 VanDerWaalsContact O-CB 3.31Å; Q456-S459 WeakPolarHBondContact O-CB 3.49Å; Q456-S459 PolarHBondContact O-N 3.49Å; E457-S459 VanDerWaalsContact C-N 3.3Å; E457-S459 PolarHBondContact O-N 3.25Å; S459-C461 VanDerWaalsContact C-N 3.28Å; S459-C461 PolarHBondContact O-N 2.92Å; S459-F462 PolarHBondContact O-N 3.48Å; S459-L463 PolarHBondContact O-N 3.1Å; S459-S510 WeakPolarHBondContact OG-CB 3.49Å; S459-S510 PolarHBondContact OG-OG 2.93Å |
| 460 | N | 88 | Confident | 86.5 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.9 | -33.4 | 172.6 | -66.7 | -24 | 0 | 0 | 0 | 112 | Q456 E457 L458 L463 S464 | Q456-N460 PolarHBondContact O-N 3.26Å; E457-N460 WeakPolarHBondContact O-CB 3.38Å; E457-N460 PolarHBondContact O-N 3.1Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 2.91Å; N460-L463 PolarHBondContact O-N 3.29Å; N460-S464 WeakPolarHBondContact O-CB 3.31Å; N460-S464 PolarHBondContact O-N 3.16Å; N460-S464 PolarHBondContact O-OG 3.04Å |
| 461 | C | 88.9 | Confident | 85.9 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 173.6 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | W391 E457 L458 S459 L463 S464 V465 | W391-C461 HydrophobicContact CE3-CB 3.94Å; W391-C461 HydrophobicContact CH2-CB 3.59Å; W391-C461 HydrophobicContact CZ3-CB 3.26Å; W391-C461 WeakPolarHBondContact CZ3-SG 3.38Å; E457-C461 PolarHBondContact O-N 3.44Å; E457-C461 PolarHBondContact O-SG 3.47Å; L458-C461 CarbonylContact O-C 3.59Å; L458-C461 WeakPolarHBondContact O-CA 3.22Å; L458-C461 WeakPolarHBondContact O-CB 3.45Å; L458-C461 PolarHBondContact O-N 3.44Å; S459-C461 VanDerWaalsContact C-N 3.28Å; S459-C461 PolarHBondContact O-N 2.92Å; C461-L463 VanDerWaalsContact C-N 3.32Å; C461-L463 PolarHBondContact O-N 3.43Å; C461-S464 WeakPolarHBondContact O-CB 3.41Å; C461-S464 PolarHBondContact O-N 3.19Å; C461-V465 WeakPolarHBondContact O-CG2 3.29Å; C461-V465 PolarHBondContact O-N 2.85Å |
| 462 | F | 90.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.7 | -45.6 | 173.5 | -80.9 | -80.2 | 0 | 0 | 0 | 111.5 | L423 A426 F427 F430 L458 S459 S464 V465 F466 W474 F475 I507 | L423-F462 HydrophobicContact CB-CE1 4.17Å; L423-F462 HydrophobicContact CD2-CD1 3.66Å; L423-F462 HydrophobicContact CD2-CE1 3.63Å; L423-F462 HydrophobicContact CD2-CG 4.39Å; L423-F462 HydrophobicContact CD2-CZ 4.34Å; L423-F462 HydrophobicContact CG-CE1 4.37Å; A426-F462 HydrophobicContact CB-CE2 3.99Å; A426-F462 HydrophobicContact CB-CZ 3.94Å; F427-F462 HydrophobicContact CB-CZ 4.13Å; F430-F462 HydrophobicContact CD2-CE2 4.19Å; L458-F462 WeakPolarHBondContact O-CD2 3.48Å; L458-F462 PolarHBondContact O-N 3.31Å; S459-F462 PolarHBondContact O-N 3.48Å; F462-S464 PolarHBondContact O-N 2.8Å; F462-V465 PolarHBondContact O-N 3.46Å; F462-F466 WeakPolarHBondContact O-CB 3.49Å; F462-F466 PolarHBondContact O-N 2.86Å; F462-W474 HydrophobicContact CD1-CH2 4.31Å; F462-W474 HydrophobicContact CD1-CZ3 4.04Å; F462-W474 HydrophobicContact CE1-CE3 4.45Å; F462-W474 AromaticContact CE1-CH2 3.5Å; F462-W474 HydrophobicContact CE1-CH2 3.5Å; F462-W474 HydrophobicContact CE1-CZ2 4.14Å; F462-W474 AromaticContact CE1-CZ3 3.68Å; F462-W474 HydrophobicContact CE1-CZ3 3.68Å; F462-W474 HydrophobicContact CZ-CH2 4.26Å; F462-F475 HydrophobicContact CB-CE1 4.46Å; F462-F475 HydrophobicContact CB-CZ 4.4Å; F462-F475 HydrophobicContact CD1-CE1 4.15Å; F462-F475 HydrophobicContact CD1-CZ 4.1Å; F462-F475 WeakPolarHBondContact O-CZ 3.47Å; F462-I507 HydrophobicContact CB-CG2 4.02Å; F462-I507 HydrophobicContact CD1-CD1 4.12Å; F462-I507 HydrophobicContact CD1-CG1 4.5Å; F462-I507 HydrophobicContact CD1-CG2 3.96Å; F462-I507 HydrophobicContact CD2-CD1 3.93Å; F462-I507 HydrophobicContact CD2-CG1 3.98Å; F462-I507 HydrophobicContact CE1-CD1 3.89Å; F462-I507 HydrophobicContact CE2-CD1 3.7Å; F462-I507 HydrophobicContact CE2-CG1 4.24Å; F462-I507 HydrophobicContact CG-CD1 4.17Å; F462-I507 HydrophobicContact CG-CG1 4.16Å; F462-I507 HydrophobicContact CG-CG2 3.97Å; F462-I507 HydrophobicContact CZ-CD1 3.69Å |
| 463 | L | 87.6 | Confident | 84.9 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.9 | 171.4 | 61.5 | 0 | 0 | 0 | 112.5 | S459 N460 C461 F466 R467 I511 H514 | S459-L463 PolarHBondContact O-N 3.1Å; N460-L463 PolarHBondContact O-N 3.29Å; C461-L463 VanDerWaalsContact C-N 3.32Å; C461-L463 PolarHBondContact O-N 3.43Å; L463-F466 PolarHBondContact O-N 3.02Å; L463-R467 VanDerWaalsContact O-CB 3.26Å; L463-R467 WeakPolarHBondContact O-CB 3.2Å; L463-R467 PolarHBondContact O-N 2.96Å; L463-I511 HydrophobicContact CB-CG2 4.41Å; L463-I511 HydrophobicContact CD1-CG2 4.29Å; L463-H514 HydrophobicContact CD1-CB 4.48Å; L463-H514 WeakPolarHBondContact CD1-ND1 3.2Å |
| 464 | S | 81.3 | Confident | 84.8 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 179.9 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | Y395 N460 C461 F462 R467 Y468 | Y395-S464 VanDerWaalsContact CZ-CB 3.47Å; Y395-S464 WeakPolarHBondContact OH-CB 3.29Å; N460-S464 WeakPolarHBondContact O-CB 3.31Å; N460-S464 PolarHBondContact O-N 3.16Å; N460-S464 PolarHBondContact O-OG 3.04Å; C461-S464 WeakPolarHBondContact O-CB 3.41Å; C461-S464 PolarHBondContact O-N 3.19Å; F462-S464 PolarHBondContact O-N 2.8Å; S464-R467 PolarHBondContact O-N 3.39Å; S464-Y468 WeakPolarHBondContact O-CD2 3.3Å; S464-Y468 PolarHBondContact O-N 2.85Å |
| 465 | V | 84.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | W391 L423 C461 F462 R467 L469 L471 | W391-V465 HydrophobicContact CH2-CG2 3.61Å; W391-V465 HydrophobicContact CZ2-CG2 3.26Å; L423-V465 HydrophobicContact CD1-CG1 3.92Å; L423-V465 HydrophobicContact CD2-CB 4.29Å; L423-V465 HydrophobicContact CD2-CG1 4.25Å; L423-V465 HydrophobicContact CD2-CG2 4.1Å; L423-V465 HydrophobicContact CG-CG1 4.41Å; C461-V465 WeakPolarHBondContact O-CG2 3.29Å; C461-V465 PolarHBondContact O-N 2.85Å; F462-V465 PolarHBondContact O-N 3.46Å; V465-R467 VanDerWaalsContact C-N 3.31Å; V465-R467 PolarHBondContact O-N 3.26Å; V465-L469 HydrophobicContact CG1-CB 4.47Å; V465-L469 HydrophobicContact CG1-CD1 4.39Å; V465-L469 HydrophobicContact CG2-CD1 4.25Å; V465-L469 PolarHBondContact O-N 3.48Å; V465-L469 VanDerWaalsContact O-N 3.15Å; V465-L471 HydrophobicContact CG1-CB 3.85Å; V465-L471 HydrophobicContact CG1-CD1 3.57Å; V465-L471 HydrophobicContact CG1-CG 4.13Å |
| 466 | F | 83.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 177.2 | -175.6 | -95.5 | 0 | 0 | 0 | 112 | F462 L463 H472 F475 I511 H514 V515 L526 F529 | F462-F466 WeakPolarHBondContact O-CB 3.49Å; F462-F466 PolarHBondContact O-N 2.86Å; L463-F466 PolarHBondContact O-N 3.02Å; F466-H472 AromaticContact CD2-ND1 3.74Å; F466-H472 AromaticContact CE2-ND1 3.34Å; F466-H472 VanDerWaalsContact CE2-ND1 3.34Å; F466-H472 WeakPolarHBondContact CE2-ND1 3.41Å; F466-H472 AromaticContact CZ-CE1 3.99Å; F466-H472 AromaticContact CZ-ND1 3.71Å; F466-F475 HydrophobicContact CB-CE1 4.4Å; F466-F475 HydrophobicContact CB-CE2 3.83Å; F466-F475 HydrophobicContact CB-CZ 3.77Å; F466-F475 HydrophobicContact CD2-CB 4.43Å; F466-F475 HydrophobicContact CD2-CD1 4.15Å; F466-F475 AromaticContact CD2-CD2 3.59Å; F466-F475 HydrophobicContact CD2-CD2 3.59Å; F466-F475 HydrophobicContact CD2-CE1 4.29Å; F466-F475 AromaticContact CD2-CE2 3.77Å; F466-F475 HydrophobicContact CD2-CE2 3.77Å; F466-F475 AromaticContact CD2-CG 3.79Å; F466-F475 HydrophobicContact CD2-CG 3.79Å; F466-F475 HydrophobicContact CD2-CZ 4.13Å; F466-F475 HydrophobicContact CE2-CB 4.46Å; F466-F475 HydrophobicContact CE2-CD2 4.36Å; F466-F475 HydrophobicContact CE2-CG 4.29Å; F466-F475 HydrophobicContact CG-CE2 4.31Å; F466-F475 HydrophobicContact CG-CZ 4.42Å; F466-I511 HydrophobicContact CB-CG2 4.15Å; F466-I511 HydrophobicContact CD1-CB 4.3Å; F466-I511 HydrophobicContact CD2-CD1 4.07Å; F466-I511 HydrophobicContact CE2-CD1 4.03Å; F466-I511 HydrophobicContact CG-CB 4.42Å; F466-I511 HydrophobicContact CG-CD1 4.42Å; F466-I511 HydrophobicContact CG-CG2 4.26Å; F466-I511 HydrophobicContact CZ-CD1 4.36Å; F466-H514 HydrophobicContact CD1-CB 4.38Å; F466-H514 HydrophobicContact CE1-CB 4.31Å; F466-V515 HydrophobicContact CE1-CG2 3.85Å; F466-V515 HydrophobicContact CZ-CG2 3.71Å; F466-L526 HydrophobicContact CE1-CD2 4.23Å; F466-L526 HydrophobicContact CZ-CD2 3.72Å; F466-F529 HydrophobicContact CE2-CE1 4.11Å; F466-F529 HydrophobicContact CZ-CD1 4.49Å; F466-F529 HydrophobicContact CZ-CE1 4.32Å |
| 467 | R | 76.9 | Confident | 84.2 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 38% | 0.377 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -77.2 | -40 | -173.8 | 178.9 | -179.9 | 177.8 | 164.7 | -2.4 | 114.1 | L463 S464 V465 H514 | L463-R467 VanDerWaalsContact O-CB 3.26Å; L463-R467 WeakPolarHBondContact O-CB 3.2Å; L463-R467 PolarHBondContact O-N 2.96Å; S464-R467 PolarHBondContact O-N 3.39Å; V465-R467 VanDerWaalsContact C-N 3.31Å; V465-R467 PolarHBondContact O-N 3.26Å; R467-H514 WeakPolarHBondContact CD-NE2 3.04Å; R467-H514 PolarHBondContact NE-NE2 2.97Å; R467-H514 PolarHBondContact NH1-NE2 3.18Å; R467-H514 VanDerWaalsContact NH1-NE2 3.16Å |
| 468 | Y | 73.5 | Confident | 84 | Confident | 107 Ų | 107 | 43.3 Ų | 43.3 | 42% | 0.42 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -112.8 | -29.7 | -166.2 | -63.4 | -78.7 | 0 | 0 | 0 | 114.2 | Y395 I399 S464 | Y395-Y468 WeakPolarHBondContact OH-CD2 3.26Å; Y395-Y468 WeakPolarHBondContact OH-CE2 3.48Å; I399-Y468 HydrophobicContact CD1-CD1 4.33Å; I399-Y468 HydrophobicContact CD1-CD2 4.18Å; I399-Y468 HydrophobicContact CD1-CG 3.84Å; S464-Y468 WeakPolarHBondContact O-CD2 3.3Å; S464-Y468 PolarHBondContact O-N 2.85Å |
| 469 | L | 73.1 | Confident | 83.8 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.089 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -98.9 | -1.3 | -178.4 | -63.4 | 173.8 | 0 | 0 | 0 | 113.5 | Y395 H419 V465 L471 | Y395-L469 HydrophobicContact CD2-CD1 4.07Å; Y395-L469 HydrophobicContact CE2-CD1 4.5Å; H419-L469 HydrophobicContact CB-CD1 4.28Å; H419-L469 VanDerWaalsContact CD2-CD1 3.45Å; H419-L469 WeakPolarHBondContact CD2-CD1 3.36Å; H419-L469 WeakPolarHBondContact NE2-CD1 3.25Å; V465-L469 HydrophobicContact CG1-CB 4.47Å; V465-L469 HydrophobicContact CG1-CD1 4.39Å; V465-L469 HydrophobicContact CG2-CD1 4.25Å; V465-L469 PolarHBondContact O-N 3.48Å; V465-L469 VanDerWaalsContact O-N 3.15Å; L469-L471 HydrophobicContact CB-CG 4.31Å; L469-L471 PolarHBondContact O-N 3.36Å; L469-L471 VanDerWaalsContact O-N 3.14Å |
| 470 | N | 70.7 | Confident | 83.7 | Confident | 108 Ų | 108 | 46.7 Ų | 46.7 | 58% | 0.578 | 23% | 0.229 | S | C | * | . | trans | 51.9 | 32.8 | 179.3 | -64.6 | -28.4 | 0 | 0 | 0 | 114.2 | H472 | N470-H472 PolarHBondContact O-N 3.18Š| ||
| 471 | L | 78.2 | Confident | 83.6 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | trans | -77.3 | 46.2 | 179.2 | -76 | -178.8 | 0 | 0 | 0 | 113.2 | K416 H419 L423 V465 L469 D473 W474 F475 | K416-L471 HydrophobicContact CB-CD2 3.87Å; K416-L471 HydrophobicContact CD-CD2 4.33Å; K416-L471 HydrophobicContact CG-CD2 3.77Å; H419-L471 HydrophobicContact CB-CD1 3.46Å; H419-L471 VanDerWaalsContact CB-CD1 3.46Å; L423-L471 HydrophobicContact CD1-CD1 4.5Å; V465-L471 HydrophobicContact CG1-CB 3.85Å; V465-L471 HydrophobicContact CG1-CD1 3.57Å; V465-L471 HydrophobicContact CG1-CG 4.13Å; L469-L471 HydrophobicContact CB-CG 4.31Å; L469-L471 PolarHBondContact O-N 3.36Å; L469-L471 VanDerWaalsContact O-N 3.14Å; L471-D473 PolarHBondContact O-N 3.03Å; L471-W474 PolarHBondContact O-N 2.91Å; L471-F475 VanDerWaalsContact O-CD2 3.3Å; L471-F475 WeakPolarHBondContact O-CD2 3.21Å | ||
| 472 | H | 81.1 | Confident | 83.6 | Confident | 72 Ų | 72 | 48 Ų | 48 | 33% | 0.333 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -26.8 | -175.1 | -58.3 | -54.2 | 0 | 0 | 0 | 113.6 | F466 N470 W474 F475 L476 | F466-H472 AromaticContact CD2-ND1 3.74Å; F466-H472 AromaticContact CE2-ND1 3.34Å; F466-H472 VanDerWaalsContact CE2-ND1 3.34Å; F466-H472 WeakPolarHBondContact CE2-ND1 3.41Å; F466-H472 AromaticContact CZ-CE1 3.99Å; F466-H472 AromaticContact CZ-ND1 3.71Å; N470-H472 PolarHBondContact O-N 3.18Å; H472-W474 VanDerWaalsContact C-N 3.35Å; H472-W474 PolarHBondContact O-N 3.38Å; H472-F475 PolarHBondContact O-N 3.29Å; H472-L476 WeakPolarHBondContact O-CB 3.35Å; H472-L476 PolarHBondContact O-N 3.37Å |
| 473 | D | 82.8 | Confident | 83.4 | Confident | 119 Ų | 119 | 51 Ų | 51 | 64% | 0.636 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.6 | -39.8 | -178.7 | -69.3 | -24.4 | 0 | 0 | 0 | 112.8 | L471 L476 Q477 | L471-D473 PolarHBondContact O-N 3.03Å; D473-L476 PolarHBondContact O-N 2.9Å; D473-Q477 WeakPolarHBondContact O-CB 3.41Å; D473-Q477 VanDerWaalsContact O-CG 3.25Å; D473-Q477 WeakPolarHBondContact O-CG 3.44Å; D473-Q477 PolarHBondContact O-N 3.49Å |
| 474 | W | 88.4 | Confident | 83.3 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 10% | 0.095 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 177.6 | -174.8 | 93.4 | 0 | 0 | 0 | 110.7 | L423 F427 F462 L471 H472 L476 Q477 A478 L504 | L423-W474 HydrophobicContact CB-CD2 4.27Å; L423-W474 HydrophobicContact CB-CZ2 4.36Å; L423-W474 HydrophobicContact CD1-CB 4.21Å; L423-W474 HydrophobicContact CD1-CD2 3.92Å; L423-W474 HydrophobicContact CD1-CE3 4.18Å; L423-W474 HydrophobicContact CD1-CG 3.91Å; F427-W474 HydrophobicContact CB-CH2 4.36Å; F427-W474 HydrophobicContact CB-CZ2 4.11Å; F427-W474 HydrophobicContact CD2-CH2 4.22Å; F427-W474 HydrophobicContact CG-CH2 4.29Å; F427-W474 HydrophobicContact CG-CZ2 4.26Å; F462-W474 HydrophobicContact CD1-CH2 4.31Å; F462-W474 HydrophobicContact CD1-CZ3 4.04Å; F462-W474 HydrophobicContact CE1-CE3 4.45Å; F462-W474 AromaticContact CE1-CH2 3.5Å; F462-W474 HydrophobicContact CE1-CH2 3.5Å; F462-W474 HydrophobicContact CE1-CZ2 4.14Å; F462-W474 AromaticContact CE1-CZ3 3.68Å; F462-W474 HydrophobicContact CE1-CZ3 3.68Å; F462-W474 HydrophobicContact CZ-CH2 4.26Å; L471-W474 PolarHBondContact O-N 2.91Å; H472-W474 VanDerWaalsContact C-N 3.35Å; H472-W474 PolarHBondContact O-N 3.38Å; W474-L476 PolarHBondContact O-N 3.42Å; W474-Q477 PolarHBondContact O-N 2.82Å; W474-A478 HydrophobicContact CE3-CB 4.4Å; W474-A478 HydrophobicContact CH2-CB 4.33Å; W474-A478 HydrophobicContact CZ3-CB 4.18Å; W474-A478 WeakPolarHBondContact O-CB 3.3Å; W474-A478 PolarHBondContact O-N 2.94Å; W474-L504 HydrophobicContact CH2-CD2 4.48Å |
| 475 | F | 88.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 178.6 | -66.5 | -90.4 | 0 | 0 | 0 | 111.7 | L423 F462 F466 L471 H472 T479 I507 I511 F529 | L423-F475 HydrophobicContact CD1-CE2 4.47Å; F462-F475 HydrophobicContact CB-CE1 4.46Å; F462-F475 HydrophobicContact CB-CZ 4.4Å; F462-F475 HydrophobicContact CD1-CE1 4.15Å; F462-F475 HydrophobicContact CD1-CZ 4.1Å; F462-F475 WeakPolarHBondContact O-CZ 3.47Å; F466-F475 HydrophobicContact CB-CE1 4.4Å; F466-F475 HydrophobicContact CB-CE2 3.83Å; F466-F475 HydrophobicContact CB-CZ 3.77Å; F466-F475 HydrophobicContact CD2-CB 4.43Å; F466-F475 HydrophobicContact CD2-CD1 4.15Å; F466-F475 AromaticContact CD2-CD2 3.59Å; F466-F475 HydrophobicContact CD2-CD2 3.59Å; F466-F475 HydrophobicContact CD2-CE1 4.29Å; F466-F475 AromaticContact CD2-CE2 3.77Å; F466-F475 HydrophobicContact CD2-CE2 3.77Å; F466-F475 AromaticContact CD2-CG 3.79Å; F466-F475 HydrophobicContact CD2-CG 3.79Å; F466-F475 HydrophobicContact CD2-CZ 4.13Å; F466-F475 HydrophobicContact CE2-CB 4.46Å; F466-F475 HydrophobicContact CE2-CD2 4.36Å; F466-F475 HydrophobicContact CE2-CG 4.29Å; F466-F475 HydrophobicContact CG-CE2 4.31Å; F466-F475 HydrophobicContact CG-CZ 4.42Å; L471-F475 VanDerWaalsContact O-CD2 3.3Å; L471-F475 WeakPolarHBondContact O-CD2 3.21Å; H472-F475 PolarHBondContact O-N 3.29Å; F475-T479 WeakPolarHBondContact O-CB 3.37Å; F475-T479 PolarHBondContact O-N 3.49Å; F475-T479 PolarHBondContact O-OG1 2.82Å; F475-I507 HydrophobicContact CD1-CG2 4.34Å; F475-I507 HydrophobicContact CE1-CG2 3.83Å; F475-I511 HydrophobicContact CD1-CD1 3.88Å; F475-I511 HydrophobicContact CE1-CD1 4.23Å; F475-I511 HydrophobicContact CE1-CG2 4.29Å; F475-F529 HydrophobicContact CB-CZ 3.97Å |
| 476 | L | 87.2 | Confident | 83.4 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.5 | -174.8 | 65.1 | 0 | 0 | 0 | 111.3 | H472 D473 W474 T479 N480 F529 I532 | H472-L476 WeakPolarHBondContact O-CB 3.35Å; H472-L476 PolarHBondContact O-N 3.37Å; D473-L476 PolarHBondContact O-N 2.9Å; W474-L476 PolarHBondContact O-N 3.42Å; L476-T479 PolarHBondContact O-N 2.9Å; L476-N480 WeakPolarHBondContact O-CB 3.26Å; L476-N480 PolarHBondContact O-N 2.73Å; L476-N480 PolarHBondContact O-ND2 2.73Å; L476-N480 VanDerWaalsContact O-ND2 3.16Å; L476-F529 HydrophobicContact CD1-CD2 4.18Å; L476-F529 HydrophobicContact CD1-CE2 4.44Å; L476-I532 HydrophobicContact CD1-CD1 4.46Å |
| 477 | Q | 88 | Confident | 83.3 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 176.7 | -74.2 | 176.1 | 15.2 | 0 | 0 | 111.7 | D473 W474 T479 N480 Q481 | D473-Q477 WeakPolarHBondContact O-CB 3.41Å; D473-Q477 VanDerWaalsContact O-CG 3.25Å; D473-Q477 WeakPolarHBondContact O-CG 3.44Å; D473-Q477 PolarHBondContact O-N 3.49Å; W474-Q477 PolarHBondContact O-N 2.82Å; Q477-T479 VanDerWaalsContact C-N 3.32Å; Q477-T479 PolarHBondContact O-N 3.12Å; Q477-N480 PolarHBondContact O-N 3.29Å; Q477-Q481 WeakPolarHBondContact O-CG 3.12Å; Q477-Q481 PolarHBondContact O-N 3.22Å |
| 478 | A | 87.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W474 Q481 L482 L504 | W474-A478 HydrophobicContact CE3-CB 4.4Å; W474-A478 HydrophobicContact CH2-CB 4.33Å; W474-A478 HydrophobicContact CZ3-CB 4.18Å; W474-A478 WeakPolarHBondContact O-CB 3.3Å; W474-A478 PolarHBondContact O-N 2.94Å; A478-Q481 PolarHBondContact O-N 2.96Å; A478-L482 WeakPolarHBondContact O-CB 3.23Å; A478-L482 PolarHBondContact O-N 3.21Å; A478-L504 HydrophobicContact CB-CD2 3.78Å |
| 479 | T | 89.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | F475 L476 Q477 L482 Q483 F529 I532 I533 I536 | F475-T479 WeakPolarHBondContact O-CB 3.37Å; F475-T479 PolarHBondContact O-N 3.49Å; F475-T479 PolarHBondContact O-OG1 2.82Å; L476-T479 PolarHBondContact O-N 2.9Å; Q477-T479 VanDerWaalsContact C-N 3.32Å; Q477-T479 PolarHBondContact O-N 3.12Å; T479-L482 PolarHBondContact O-N 3.4Å; T479-Q483 WeakPolarHBondContact O-CB 2.99Å; T479-Q483 PolarHBondContact O-N 3.11Å; T479-F529 HydrophobicContact CG2-CE2 4.17Å; T479-F529 WeakPolarHBondContact OG1-CE2 3.44Å; T479-I532 HydrophobicContact CG2-CG2 3.74Å; T479-I533 HydrophobicContact CG2-CG1 4.18Å; T479-I536 HydrophobicContact CG2-CD1 3.3Å; T479-I536 WeakPolarHBondContact O-CD1 3.33Å |
| 480 | N | 88.2 | Confident | 84 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.8 | -71.8 | -27.1 | 0 | 0 | 0 | 112 | L476 Q477 Q483 S484 | L476-N480 WeakPolarHBondContact O-CB 3.26Å; L476-N480 PolarHBondContact O-N 2.73Å; L476-N480 PolarHBondContact O-ND2 2.73Å; L476-N480 VanDerWaalsContact O-ND2 3.16Å; Q477-N480 PolarHBondContact O-N 3.29Å; N480-Q483 PolarHBondContact O-N 2.91Å; N480-S484 WeakPolarHBondContact O-CB 3.23Å; N480-S484 PolarHBondContact O-N 3.43Å |
| 481 | Q | 86.3 | Confident | 84.1 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 173.5 | -75.5 | 174.9 | -10.4 | 0 | 0 | 110.5 | Q477 A478 Q483 S484 T485 | Q477-Q481 WeakPolarHBondContact O-CG 3.12Å; Q477-Q481 PolarHBondContact O-N 3.22Å; A478-Q481 PolarHBondContact O-N 2.96Å; Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.02Å; Q481-S484 PolarHBondContact O-N 2.89Å; Q481-S484 VanDerWaalsContact O-N 3.08Å; Q481-S484 PolarHBondContact O-OG 3.07Å; Q481-T485 PolarHBondContact O-N 3.4Å; Q481-T485 PolarHBondContact O-OG1 3.22Å; Q481-T485 VanDerWaalsContact O-OG1 3.07Å |
| 482 | L | 87.7 | Confident | 84 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.6 | -46.4 | 176 | -178.2 | 60.5 | 0 | 0 | 0 | 111.9 | A478 T479 S484 T485 I486 L504 L505 L508 I536 | A478-L482 WeakPolarHBondContact O-CB 3.23Å; A478-L482 PolarHBondContact O-N 3.21Å; T479-L482 PolarHBondContact O-N 3.4Å; L482-S484 VanDerWaalsContact C-N 3.33Å; L482-S484 PolarHBondContact O-N 3.47Å; L482-T485 PolarHBondContact O-N 3.38Å; L482-I486 HydrophobicContact CD1-CD1 3.63Å; L482-I486 HydrophobicContact CD1-CG1 4.17Å; L482-I486 HydrophobicContact CD2-CD1 4.39Å; L482-I486 HydrophobicContact CG-CD1 3.58Å; L482-I486 WeakPolarHBondContact O-CD1 3.42Å; L482-I486 VanDerWaalsContact O-CG1 3.31Å; L482-I486 WeakPolarHBondContact O-CG1 3.22Å; L482-I486 PolarHBondContact O-N 3.2Å; L482-L504 HydrophobicContact CB-CD1 3.98Å; L482-L504 HydrophobicContact CD1-CD1 4.39Å; L482-L504 HydrophobicContact CD2-CB 3.98Å; L482-L505 HydrophobicContact CD2-CD2 3.98Å; L482-L505 HydrophobicContact CD2-CG 4.11Å; L482-L508 HydrophobicContact CD2-CD1 4.1Å; L482-I536 HydrophobicContact CD2-CG2 3.79Å; L482-I536 HydrophobicContact CG-CG2 3.96Å |
| 483 | Q | 87.8 | Confident | 84 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 176 | -169.4 | 176.8 | 8.7 | 0 | 0 | 111.8 | T479 N480 Q481 T485 I486 C487 I536 | T479-Q483 WeakPolarHBondContact O-CB 2.99Å; T479-Q483 PolarHBondContact O-N 3.11Å; N480-Q483 PolarHBondContact O-N 2.91Å; Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.02Å; Q483-T485 VanDerWaalsContact C-N 3.34Å; Q483-T485 PolarHBondContact O-N 3.03Å; Q483-I486 PolarHBondContact O-N 2.83Å; Q483-C487 WeakPolarHBondContact O-CB 3.4Å; Q483-C487 PolarHBondContact O-N 3.13Å; Q483-C487 PolarHBondContact O-SG 3.47Å; Q483-I536 HydrophobicContact CB-CD1 3.77Å; Q483-I536 HydrophobicContact CB-CG1 3.74Å; Q483-I536 HydrophobicContact CG-CD1 4.39Å; Q483-I536 HydrophobicContact CG-CG1 3.9Å |
| 484 | S | 85.4 | Confident | 83.8 | Confident | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 179.4 | 77.5 | 0 | 0 | 0 | 0 | 112 | N480 Q481 L482 C487 N488 | N480-S484 WeakPolarHBondContact O-CB 3.23Å; N480-S484 PolarHBondContact O-N 3.43Å; Q481-S484 PolarHBondContact O-N 2.89Å; Q481-S484 VanDerWaalsContact O-N 3.08Å; Q481-S484 PolarHBondContact O-OG 3.07Å; L482-S484 VanDerWaalsContact C-N 3.33Å; L482-S484 PolarHBondContact O-N 3.47Å; S484-C487 PolarHBondContact O-N 3.12Å; S484-N488 VanDerWaalsContact O-CB 3.31Å; S484-N488 WeakPolarHBondContact O-CB 3.43Å; S484-N488 PolarHBondContact O-N 3.35Å; S484-N488 VanDerWaalsContact O-N 3.12Å; S484-N488 PolarHBondContact O-ND2 3.3Å |
| 485 | T | 83.9 | Confident | 83.3 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -50.9 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 110 | Q481 L482 Q483 C487 N488 C489 | Q481-T485 PolarHBondContact O-N 3.4Å; Q481-T485 PolarHBondContact O-OG1 3.22Å; Q481-T485 VanDerWaalsContact O-OG1 3.07Å; L482-T485 PolarHBondContact O-N 3.38Å; Q483-T485 VanDerWaalsContact C-N 3.34Å; Q483-T485 PolarHBondContact O-N 3.03Å; T485-C487 PolarHBondContact O-N 2.89Å; T485-N488 PolarHBondContact O-N 3.13Å; T485-C489 HydrophobicContact CG2-CB 4.47Å; T485-C489 WeakPolarHBondContact O-CB 3.4Å; T485-C489 PolarHBondContact O-N 3.13Å; T485-C489 PolarHBondContact O-SG 3.31Å |
| 486 | I | 83.5 | Confident | 82.9 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.5 | -34.6 | -179.3 | -63.3 | 154.3 | 0 | 0 | 0 | 111.8 | L482 Q483 I536 N539 Y540 K543 | L482-I486 HydrophobicContact CD1-CD1 3.63Å; L482-I486 HydrophobicContact CD1-CG1 4.17Å; L482-I486 HydrophobicContact CD2-CD1 4.39Å; L482-I486 HydrophobicContact CG-CD1 3.58Å; L482-I486 WeakPolarHBondContact O-CD1 3.42Å; L482-I486 VanDerWaalsContact O-CG1 3.31Å; L482-I486 WeakPolarHBondContact O-CG1 3.22Å; L482-I486 PolarHBondContact O-N 3.2Å; Q483-I486 PolarHBondContact O-N 2.83Å; I486-I536 HydrophobicContact CD1-CG2 3.45Å; I486-I536 VanDerWaalsContact CD1-CG2 3.45Å; I486-N539 HydrophobicContact CG2-CB 3.86Å; I486-Y540 HydrophobicContact CD1-CD2 3.46Å; I486-Y540 VanDerWaalsContact CD1-CD2 3.46Å; I486-Y540 HydrophobicContact CD1-CE2 4.13Å; I486-Y540 HydrophobicContact CD1-CG 4.46Å; I486-Y540 HydrophobicContact CG1-CD2 3.62Å; I486-Y540 HydrophobicContact CG1-CE2 4.02Å; I486-Y540 HydrophobicContact CG2-CD2 4.48Å; I486-K543 HydrophobicContact CG2-CD 4.38Å; I486-K543 WeakPolarHBondContact O-CE 3.45Å; I486-K543 PolarHBondContact O-NZ 3.26Å |
| 487 | C | 80.8 | Confident | 82.6 | Confident | 71 Ų | 71 | 62 Ų | 62 | 48% | 0.48 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.4 | -31.9 | 178.2 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | Q483 S484 T485 | Q483-C487 WeakPolarHBondContact O-CB 3.4Å; Q483-C487 PolarHBondContact O-N 3.13Å; Q483-C487 PolarHBondContact O-SG 3.47Å; S484-C487 PolarHBondContact O-N 3.12Å; T485-C487 PolarHBondContact O-N 2.89Å |
| 488 | N | 81.1 | Confident | 82.6 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -106.9 | -22.5 | -167.9 | -62.6 | -28.2 | 0 | 0 | 0 | 115 | S484 T485 | S484-N488 VanDerWaalsContact O-CB 3.31Å; S484-N488 WeakPolarHBondContact O-CB 3.43Å; S484-N488 PolarHBondContact O-N 3.35Å; S484-N488 VanDerWaalsContact O-N 3.12Å; S484-N488 PolarHBondContact O-ND2 3.3Å; T485-N488 PolarHBondContact O-N 3.13Å |
| 489 | C | 77.9 | Confident | 82.8 | Confident | 18 Ų | 18 | 57 Ų | 57 | 12% | 0.122 | 31% | 0.314 | C | S | . | . | trans | -76.7 | 152 | -173.5 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | T485 E493 K543 | T485-C489 HydrophobicContact CG2-CB 4.47Å; T485-C489 WeakPolarHBondContact O-CB 3.4Å; T485-C489 PolarHBondContact O-N 3.13Å; T485-C489 PolarHBondContact O-SG 3.31Å; C489-E493 WeakPolarHBondContact CA-OE2 3.34Å; C489-E493 HydrophobicContact CB-CB 3.86Å; C489-E493 WeakPolarHBondContact CB-OE2 3.33Å; C489-K543 PolarHBondContact O-NZ 3.23Å; C489-K543 PolarHBondContact SG-NZ 3.34Å | ||
| 490 | T | 79.3 | Confident | 82.8 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 45% | 0.454 | 33% | 0.331 | S | S | . | . | trans | -72.7 | 164.4 | 164.4 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | E492 E493 L494 | T490-E492 PolarHBondContact O-N 3.37Å; T490-E493 PolarHBondContact N-OE2 3.34Å; T490-E493 PolarHBondContact O-N 3.44Å; T490-E493 WeakPolarHBondContact OG1-CG 3.5Å; T490-E493 PolarHBondContact OG1-N 3.4Å; T490-L494 PolarHBondContact O-N 3.31Å | ||
| 491 | N | 74.3 | Confident | 82.8 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -32 | 176.2 | -67.9 | -15.1 | 0 | 0 | 0 | 111.8 | L495 Q546 | N491-L495 WeakPolarHBondContact O-CG 3.33Å; N491-L495 PolarHBondContact O-N 3.4Å; N491-L495 VanDerWaalsContact O-N 3.16Å; N491-Q546 PolarHBondContact ND2-OE1 2.94Å |
| 492 | E | 75.3 | Confident | 83.1 | Confident | 163 Ų | 163 | 52.4 Ų | 52.4 | 76% | 0.762 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.7 | -42.2 | 175.4 | -66.1 | -179 | 178.6 | 0 | 0 | 111.9 | T490 L495 A496 | T490-E492 PolarHBondContact O-N 3.37Å; E492-L495 PolarHBondContact O-N 2.82Å; E492-A496 WeakPolarHBondContact O-CB 3.42Å; E492-A496 PolarHBondContact O-N 2.8Å |
| 493 | E | 80.4 | Confident | 83.3 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 176 | -74.6 | 167.7 | 175.5 | 0 | 0 | 112.2 | C489 T490 L495 A496 N497 | C489-E493 WeakPolarHBondContact CA-OE2 3.34Å; C489-E493 HydrophobicContact CB-CB 3.86Å; C489-E493 WeakPolarHBondContact CB-OE2 3.33Å; T490-E493 PolarHBondContact N-OE2 3.34Å; T490-E493 PolarHBondContact O-N 3.44Å; T490-E493 WeakPolarHBondContact OG1-CG 3.5Å; T490-E493 PolarHBondContact OG1-N 3.4Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 3.25Å; E493-A496 PolarHBondContact O-N 3.15Å; E493-N497 PolarHBondContact O-N 3.26Å; E493-N497 VanDerWaalsContact O-N 3.15Å |
| 494 | L | 78.6 | Confident | 83.5 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 174.1 | -171.6 | 69.7 | 0 | 0 | 0 | 111.1 | T490 A496 N497 W498 Y540 K543 | T490-L494 PolarHBondContact O-N 3.31Å; L494-A496 VanDerWaalsContact C-N 3.33Å; L494-N497 CarbonylContact O-C 3.57Å; L494-N497 PolarHBondContact O-N 3.27Å; L494-W498 VanDerWaalsContact O-CA 3.26Å; L494-W498 WeakPolarHBondContact O-CA 3.1Å; L494-W498 PolarHBondContact O-N 3.43Å; L494-Y540 HydrophobicContact CD1-CE2 3.84Å; L494-Y540 HydrophobicContact CD2-CE1 4.21Å; L494-Y540 HydrophobicContact CD2-CE2 4.36Å; L494-K543 HydrophobicContact CD2-CB 4.18Å; L494-K543 HydrophobicContact CD2-CD 4.02Å |
| 495 | L | 78.1 | Confident | 83.8 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.6 | -25.8 | 178.8 | -70.1 | 170.6 | 0 | 0 | 0 | 112.8 | N491 E492 E493 Y547 L594 | N491-L495 WeakPolarHBondContact O-CG 3.33Å; N491-L495 PolarHBondContact O-N 3.4Å; N491-L495 VanDerWaalsContact O-N 3.16Å; E492-L495 PolarHBondContact O-N 2.82Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 3.25Å; L495-Y547 HydrophobicContact CD1-CD1 4.24Å; L495-Y547 HydrophobicContact CD1-CD2 4.15Å; L495-Y547 HydrophobicContact CD1-CE1 3.63Å; L495-Y547 HydrophobicContact CD1-CE2 3.62Å; L495-Y547 HydrophobicContact CD1-CG 4.47Å; L495-Y547 HydrophobicContact CD2-CE1 4.23Å; L495-L594 HydrophobicContact CD2-CD1 4.28Å |
| 496 | A | 80.1 | Confident | 84.2 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 54% | 0.537 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.1 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E492 E493 L494 | E492-A496 WeakPolarHBondContact O-CB 3.42Å; E492-A496 PolarHBondContact O-N 2.8Å; E493-A496 PolarHBondContact O-N 3.15Å; L494-A496 VanDerWaalsContact C-N 3.33Å |
| 497 | N | 82.4 | Confident | 84.6 | Confident | 94 Ų | 94 | 45.8 Ų | 45.8 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 32.3 | -179.6 | -68.4 | -16 | 0 | 0 | 0 | 112.3 | E493 L494 Q499 E500 | E493-N497 PolarHBondContact O-N 3.26Å; E493-N497 VanDerWaalsContact O-N 3.15Å; L494-N497 CarbonylContact O-C 3.57Å; L494-N497 PolarHBondContact O-N 3.27Å; N497-Q499 VanDerWaalsContact C-N 3.25Å; N497-Q499 PolarHBondContact O-N 3Å; N497-E500 PolarHBondContact O-N 2.9Å |
| 498 | W | 87.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -34.9 | -172.6 | 71.4 | -82.5 | 0 | 0 | 0 | 112.4 | Y432 L436 L494 E500 S501 E502 Q590 I593 L594 | Y432-W498 VanDerWaalsContact CB-CH2 3.43Å; Y432-W498 HydrophobicContact CD1-CH2 4.44Å; Y432-W498 AromaticContact CD2-CH2 3.9Å; Y432-W498 HydrophobicContact CD2-CH2 3.9Å; Y432-W498 HydrophobicContact CD2-CZ3 4Å; Y432-W498 AromaticContact CG-CH2 3.7Å; Y432-W498 HydrophobicContact CG-CH2 3.7Å; Y432-W498 HydrophobicContact CG-CZ3 4.28Å; L436-W498 HydrophobicContact CD1-CH2 3.93Å; L436-W498 HydrophobicContact CD1-CZ2 3.71Å; L436-W498 HydrophobicContact CD2-CH2 3.97Å; L436-W498 HydrophobicContact CD2-CZ2 3.99Å; L436-W498 HydrophobicContact CG-CH2 4.21Å; L436-W498 HydrophobicContact CG-CZ2 3.82Å; L494-W498 VanDerWaalsContact O-CA 3.26Å; L494-W498 WeakPolarHBondContact O-CA 3.1Å; L494-W498 PolarHBondContact O-N 3.43Å; W498-E500 VanDerWaalsContact C-N 3.34Å; W498-E500 PolarHBondContact O-N 3.11Å; W498-S501 PolarHBondContact O-N 2.97Å; W498-S501 PolarHBondContact O-OG 3.26Å; W498-E502 HydrophobicContact CE3-CB 4.1Å; W498-E502 HydrophobicContact CE3-CG 4.37Å; W498-E502 HydrophobicContact CZ3-CB 4.31Å; W498-E502 HydrophobicContact CZ3-CG 4.2Å; W498-E502 VanDerWaalsContact O-CB 3.25Å; W498-E502 WeakPolarHBondContact O-CB 3.32Å; W498-E502 PolarHBondContact O-N 2.61Å; W498-Q590 HydrophobicContact CD2-CB 3.91Å; W498-Q590 HydrophobicContact CD2-CG 3.73Å; W498-Q590 HydrophobicContact CE3-CB 4.37Å; W498-Q590 HydrophobicContact CG-CB 4.09Å; W498-Q590 HydrophobicContact CG-CG 3.9Å; W498-Q590 HydrophobicContact CZ2-CG 3.9Å; W498-Q590 VanDerWaalsContact NE1-CG 3.31Å; W498-I593 HydrophobicContact CH2-CD1 3.82Å; W498-I593 HydrophobicContact CZ3-CB 4.19Å; W498-I593 HydrophobicContact CZ3-CD1 4.09Å; W498-I593 HydrophobicContact CZ3-CG2 3.97Å; W498-L594 HydrophobicContact CB-CD1 4.07Å; W498-L594 HydrophobicContact CB-CD2 4.36Å; W498-L594 HydrophobicContact CB-CG 4.49Å; W498-L594 HydrophobicContact CE3-CD2 4.24Å; W498-L594 HydrophobicContact CE3-CG 4.38Å |
| 499 | Q | 90.6 | Very high | 85.5 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | -177.4 | -59.2 | 92.9 | -19.9 | 0 | 0 | 112.8 | H431 Y432 K434 N497 E502 A503 | H431-Q499 HydrophobicContact CB-CB 4.1Å; H431-Q499 PolarHBondContact CD2-O 2.75Å; Y432-Q499 WeakPolarHBondContact O-CG 3.27Å; K434-Q499 VanDerWaalsContact CA-NE2 3.3Å; N497-Q499 VanDerWaalsContact C-N 3.25Å; N497-Q499 PolarHBondContact O-N 3Å; Q499-E502 PolarHBondContact O-N 2.87Å; Q499-A503 VanDerWaalsContact O-CB 3.22Å; Q499-A503 WeakPolarHBondContact O-CB 3.3Å; Q499-A503 PolarHBondContact O-N 2.53Å |
| 500 | E | 89.6 | Confident | 86 | Confident | 78 Ų | 78 | 37.4 Ų | 37.4 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.6 | -44.4 | -179.7 | -173 | 178.4 | 166.6 | 0 | 0 | 110.1 | F427 N497 W498 E502 L504 | F427-E500 HydrophobicContact CE1-CG 4.02Å; F427-E500 HydrophobicContact CZ-CG 3.91Å; N497-E500 PolarHBondContact O-N 2.9Å; W498-E500 VanDerWaalsContact C-N 3.34Å; W498-E500 PolarHBondContact O-N 3.11Å; E500-E502 VanDerWaalsContact C-N 3.35Å; E500-E502 PolarHBondContact O-N 3Å; E500-L504 WeakPolarHBondContact O-CG 3.24Å; E500-L504 PolarHBondContact O-N 3.1Å; E500-L504 VanDerWaalsContact O-N 3.09Å |
| 501 | S | 88.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 177 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | W498 L505 Y540 | W498-S501 PolarHBondContact O-N 2.97Å; W498-S501 PolarHBondContact O-OG 3.26Å; S501-L505 WeakPolarHBondContact O-CB 3.17Å; S501-L505 VanDerWaalsContact O-CG 3.25Å; S501-L505 WeakPolarHBondContact O-CG 3.46Å; S501-L505 PolarHBondContact O-N 3.44Å; S501-Y540 PolarHBondContact OG-OH 3.21Å |
| 502 | E | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -47 | 178.9 | -168.7 | -78 | 149 | 0 | 0 | 111.3 | Y432 R455 W498 Q499 E500 L504 L505 F506 I593 L594 T597 | Y432-E502 WeakPolarHBondContact CD2-OE2 3.49Å; R455-E502 IonicContact CZ-OE1 2.75Å; R455-E502 IonicContact CZ-OE2 2.8Å; R455-E502 IonicContact NH1-OE1 3.65Å; R455-E502 IonicContact NH2-OE1 2.8Å; R455-E502 PolarHBondContact NH2-OE1 3.08Å; R455-E502 IonicContact NH2-OE2 2.78Å; R455-E502 PolarHBondContact NH2-OE2 3.2Å; W498-E502 HydrophobicContact CE3-CB 4.1Å; W498-E502 HydrophobicContact CE3-CG 4.37Å; W498-E502 HydrophobicContact CZ3-CB 4.31Å; W498-E502 HydrophobicContact CZ3-CG 4.2Å; W498-E502 VanDerWaalsContact O-CB 3.25Å; W498-E502 WeakPolarHBondContact O-CB 3.32Å; W498-E502 PolarHBondContact O-N 2.61Å; Q499-E502 PolarHBondContact O-N 2.87Å; E500-E502 VanDerWaalsContact C-N 3.35Å; E500-E502 PolarHBondContact O-N 3Å; E502-L504 PolarHBondContact O-N 3.48Å; E502-L505 PolarHBondContact O-N 2.87Å; E502-F506 WeakPolarHBondContact O-CB 3.48Å; E502-F506 PolarHBondContact O-N 3.08Å; E502-I593 HydrophobicContact CG-CG2 3.88Å; E502-L594 HydrophobicContact CB-CD2 3.77Å; E502-L594 HydrophobicContact CG-CD2 4.11Å; E502-T597 HydrophobicContact CG-CG2 4.33Å; E502-T597 PolarHBondContact OE1-OG1 2.89Å |
| 503 | A | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F427 F430 Q499 F506 I507 | F427-A503 HydrophobicContact CD2-CB 4.46Å; F427-A503 HydrophobicContact CE2-CB 3.68Å; F427-A503 HydrophobicContact CZ-CB 4.24Å; F430-A503 HydrophobicContact CB-CB 4.49Å; F430-A503 HydrophobicContact CD1-CB 3.8Å; Q499-A503 VanDerWaalsContact O-CB 3.22Å; Q499-A503 WeakPolarHBondContact O-CB 3.3Å; Q499-A503 PolarHBondContact O-N 2.53Å; A503-F506 PolarHBondContact O-N 2.97Å; A503-I507 VanDerWaalsContact O-CG1 3.3Å; A503-I507 WeakPolarHBondContact O-CG1 3.43Å; A503-I507 PolarHBondContact O-N 2.78Å |
| 504 | L | 92.3 | Very high | 87 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -46.6 | 175.8 | -72 | 174.8 | 0 | 0 | 0 | 111.9 | F427 W474 A478 L482 E500 E502 F506 I507 L508 | F427-L504 HydrophobicContact CD2-CD2 4.1Å; F427-L504 HydrophobicContact CE1-CD2 4.42Å; F427-L504 HydrophobicContact CE2-CB 4.49Å; F427-L504 HydrophobicContact CE2-CD2 3.35Å; F427-L504 HydrophobicContact CE2-CG 3.55Å; F427-L504 HydrophobicContact CZ-CD1 4.12Å; F427-L504 HydrophobicContact CZ-CD2 3.57Å; F427-L504 HydrophobicContact CZ-CG 3.45Å; F427-L504 VanDerWaalsContact CZ-CG 3.45Å; W474-L504 HydrophobicContact CH2-CD2 4.48Å; A478-L504 HydrophobicContact CB-CD2 3.78Å; L482-L504 HydrophobicContact CB-CD1 3.98Å; L482-L504 HydrophobicContact CD1-CD1 4.39Å; L482-L504 HydrophobicContact CD2-CB 3.98Å; E500-L504 WeakPolarHBondContact O-CG 3.24Å; E500-L504 PolarHBondContact O-N 3.1Å; E500-L504 VanDerWaalsContact O-N 3.09Å; E502-L504 PolarHBondContact O-N 3.48Å; L504-F506 VanDerWaalsContact C-N 3.27Å; L504-F506 PolarHBondContact O-N 3.2Å; L504-I507 PolarHBondContact O-N 3.33Å; L504-L508 WeakPolarHBondContact O-CB 3.41Å; L504-L508 VanDerWaalsContact O-CG 3.24Å; L504-L508 WeakPolarHBondContact O-CG 3.44Å; L504-L508 PolarHBondContact O-N 2.94Å |
| 505 | L | 91.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 177 | -74.8 | 172.1 | 0 | 0 | 0 | 111.5 | L482 S501 E502 L508 S509 I537 Y540 T597 V598 C601 | L482-L505 HydrophobicContact CD2-CD2 3.98Å; L482-L505 HydrophobicContact CD2-CG 4.11Å; S501-L505 WeakPolarHBondContact O-CB 3.17Å; S501-L505 VanDerWaalsContact O-CG 3.25Å; S501-L505 WeakPolarHBondContact O-CG 3.46Å; S501-L505 PolarHBondContact O-N 3.44Å; E502-L505 PolarHBondContact O-N 2.87Å; L505-L508 PolarHBondContact O-N 3.14Å; L505-S509 WeakPolarHBondContact O-CB 3.04Å; L505-S509 PolarHBondContact O-N 2.64Å; L505-I537 HydrophobicContact CD2-CG1 4.4Å; L505-Y540 HydrophobicContact CD1-CD2 3.92Å; L505-Y540 HydrophobicContact CD1-CE2 3.92Å; L505-Y540 HydrophobicContact CD1-CG 4.3Å; L505-T597 HydrophobicContact CB-CG2 3.69Å; L505-V598 HydrophobicContact CD1-CG2 3.95Å; L505-C601 PolarHBondContact O-SG 2.98Å |
| 506 | F | 92 | Very high | 86.9 | Confident | 33 Ų | 33 | 25 Ų | 25 | 15% | 0.145 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.9 | -167.8 | -85.1 | 0 | 0 | 0 | 112.3 | F430 E502 A503 L504 S509 S510 T597 | F430-F506 HydrophobicContact CE1-CB 4.12Å; F430-F506 AromaticContact CE1-CD1 3.42Å; F430-F506 HydrophobicContact CE1-CD1 3.42Å; F430-F506 VanDerWaalsContact CE1-CD1 3.42Å; F430-F506 HydrophobicContact CE1-CE1 4.13Å; F430-F506 HydrophobicContact CE1-CG 4.05Å; F430-F506 AromaticContact CZ-CD1 3.39Å; F430-F506 HydrophobicContact CZ-CD1 3.39Å; F430-F506 AromaticContact CZ-CE1 3.73Å; F430-F506 HydrophobicContact CZ-CE1 3.73Å; F430-F506 HydrophobicContact CZ-CG 4.43Å; E502-F506 WeakPolarHBondContact O-CB 3.48Å; E502-F506 PolarHBondContact O-N 3.08Å; A503-F506 PolarHBondContact O-N 2.97Å; L504-F506 VanDerWaalsContact C-N 3.27Å; L504-F506 PolarHBondContact O-N 3.2Å; F506-S509 VanDerWaalsContact O-CB 3.29Å; F506-S509 WeakPolarHBondContact O-CB 3.36Å; F506-S509 PolarHBondContact O-N 2.81Å; F506-S510 PolarHBondContact O-N 3.09Å; F506-T597 HydrophobicContact CB-CG2 4.01Å; F506-T597 HydrophobicContact CD2-CG2 4.48Å |
| 507 | I | 91.8 | Very high | 86 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.3 | -69.3 | 164.3 | 0 | 0 | 0 | 111.1 | F427 F430 F462 F475 A503 L504 S509 S510 I511 | F427-I507 HydrophobicContact CD2-CD1 3.63Å; F427-I507 HydrophobicContact CE2-CD1 4.04Å; F430-I507 HydrophobicContact CD1-CG1 4.48Å; F430-I507 HydrophobicContact CE1-CG1 4.19Å; F430-I507 HydrophobicContact CZ-CG1 4.26Å; F462-I507 HydrophobicContact CB-CG2 4.02Å; F462-I507 HydrophobicContact CD1-CD1 4.12Å; F462-I507 HydrophobicContact CD1-CG1 4.5Å; F462-I507 HydrophobicContact CD1-CG2 3.96Å; F462-I507 HydrophobicContact CD2-CD1 3.93Å; F462-I507 HydrophobicContact CD2-CG1 3.98Å; F462-I507 HydrophobicContact CE1-CD1 3.89Å; F462-I507 HydrophobicContact CE2-CD1 3.7Å; F462-I507 HydrophobicContact CE2-CG1 4.24Å; F462-I507 HydrophobicContact CG-CD1 4.17Å; F462-I507 HydrophobicContact CG-CG1 4.16Å; F462-I507 HydrophobicContact CG-CG2 3.97Å; F462-I507 HydrophobicContact CZ-CD1 3.69Å; F475-I507 HydrophobicContact CD1-CG2 4.34Å; F475-I507 HydrophobicContact CE1-CG2 3.83Å; A503-I507 VanDerWaalsContact O-CG1 3.3Å; A503-I507 WeakPolarHBondContact O-CG1 3.43Å; A503-I507 PolarHBondContact O-N 2.78Å; L504-I507 PolarHBondContact O-N 3.33Å; I507-S509 VanDerWaalsContact C-N 3.28Å; I507-S509 PolarHBondContact O-N 2.92Å; I507-S510 PolarHBondContact O-N 3.33Å; I507-S510 PolarHBondContact O-OG 3.42Å; I507-I511 PolarHBondContact O-N 2.81Å |
| 508 | L | 90.9 | Very high | 84.7 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 175.9 | -66.8 | 174.9 | 0 | 0 | 0 | 111.2 | L482 L504 L505 S510 I511 S512 F529 I533 Y605 | L482-L508 HydrophobicContact CD2-CD1 4.1Å; L504-L508 WeakPolarHBondContact O-CB 3.41Å; L504-L508 VanDerWaalsContact O-CG 3.24Å; L504-L508 WeakPolarHBondContact O-CG 3.44Å; L504-L508 PolarHBondContact O-N 2.94Å; L505-L508 PolarHBondContact O-N 3.14Å; L508-S510 VanDerWaalsContact C-N 3.34Å; L508-S510 PolarHBondContact O-N 3.37Å; L508-I511 HydrophobicContact CD2-CD1 4.08Å; L508-I511 WeakPolarHBondContact O-CG1 3.4Å; L508-S512 PolarHBondContact O-N 3.28Å; L508-F529 HydrophobicContact CD2-CZ 4.03Å; L508-I533 HydrophobicContact CB-CG2 4.42Å; L508-I533 HydrophobicContact CD1-CG1 4.23Å; L508-I533 HydrophobicContact CD1-CG2 4.32Å; L508-I533 HydrophobicContact CD2-CD1 3.84Å; L508-I533 HydrophobicContact CD2-CG1 4.18Å; L508-Y605 WeakPolarHBondContact O-CE2 3.03Å; L508-Y605 PolarHBondContact O-OH 3.26Å |
| 509 | S | 90.2 | Very high | 82.8 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 173.2 | -164.6 | 0 | 0 | 0 | 0 | 112 | L505 F506 I507 I511 S512 N604 | L505-S509 WeakPolarHBondContact O-CB 3.04Å; L505-S509 PolarHBondContact O-N 2.64Å; F506-S509 VanDerWaalsContact O-CB 3.29Å; F506-S509 WeakPolarHBondContact O-CB 3.36Å; F506-S509 PolarHBondContact O-N 2.81Å; I507-S509 VanDerWaalsContact C-N 3.28Å; I507-S509 PolarHBondContact O-N 2.92Å; S509-I511 PolarHBondContact O-N 3.38Å; S509-S512 WeakPolarHBondContact O-CB 3.46Å; S509-S512 PolarHBondContact O-N 3.47Å; S509-S512 PolarHBondContact O-OG 3.29Å; S509-N604 PolarHBondContact O-ND2 3.45Å; S509-N604 PolarHBondContact OG-ND2 3.31Å |
| 510 | S | 87.9 | Confident | 80.6 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.5 | -24.3 | -176.7 | 69.9 | 0 | 0 | 0 | 0 | 114.9 | S459 F506 I507 L508 | S459-S510 WeakPolarHBondContact OG-CB 3.49Å; S459-S510 PolarHBondContact OG-OG 2.93Å; F506-S510 PolarHBondContact O-N 3.09Å; I507-S510 PolarHBondContact O-N 3.33Å; I507-S510 PolarHBondContact O-OG 3.42Å; L508-S510 VanDerWaalsContact C-N 3.34Å; L508-S510 PolarHBondContact O-N 3.37Å |
| 511 | I | 88.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -1.9 | 174.7 | 67.6 | 175.1 | 0 | 0 | 0 | 113.7 | L463 F466 F475 I507 L508 S509 E513 H514 V515 F529 | L463-I511 HydrophobicContact CB-CG2 4.41Å; L463-I511 HydrophobicContact CD1-CG2 4.29Å; F466-I511 HydrophobicContact CB-CG2 4.15Å; F466-I511 HydrophobicContact CD1-CB 4.3Å; F466-I511 HydrophobicContact CD2-CD1 4.07Å; F466-I511 HydrophobicContact CE2-CD1 4.03Å; F466-I511 HydrophobicContact CG-CB 4.42Å; F466-I511 HydrophobicContact CG-CD1 4.42Å; F466-I511 HydrophobicContact CG-CG2 4.26Å; F466-I511 HydrophobicContact CZ-CD1 4.36Å; F475-I511 HydrophobicContact CD1-CD1 3.88Å; F475-I511 HydrophobicContact CE1-CD1 4.23Å; F475-I511 HydrophobicContact CE1-CG2 4.29Å; I507-I511 PolarHBondContact O-N 2.81Å; L508-I511 HydrophobicContact CD2-CD1 4.08Å; L508-I511 WeakPolarHBondContact O-CG1 3.4Å; S509-I511 PolarHBondContact O-N 3.38Å; I511-E513 VanDerWaalsContact C-N 3.34Å; I511-E513 PolarHBondContact O-N 2.98Å; I511-H514 PolarHBondContact O-N 3.5Å; I511-V515 HydrophobicContact CD1-CG2 4.18Å; I511-V515 HydrophobicContact CG1-CG2 4.08Å; I511-V515 WeakPolarHBondContact O-CG2 3.38Å; I511-V515 PolarHBondContact O-N 3.28Å; I511-V515 VanDerWaalsContact O-N 3.09Å; I511-F529 HydrophobicContact CD1-CE1 3.92Å; I511-F529 HydrophobicContact CD1-CZ 4.45Å |
| 512 | S | 86.8 | Confident | 76.2 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | -171.1 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | L508 S509 H514 V515 I516 N604 Y605 | L508-S512 PolarHBondContact O-N 3.28Å; S509-S512 WeakPolarHBondContact O-CB 3.46Å; S509-S512 PolarHBondContact O-N 3.47Å; S509-S512 PolarHBondContact O-OG 3.29Å; S512-H514 VanDerWaalsContact C-N 3.31Å; S512-H514 PolarHBondContact O-N 3.14Å; S512-V515 PolarHBondContact O-N 3.24Å; S512-V515 VanDerWaalsContact O-N 3.17Å; S512-I516 WeakPolarHBondContact O-CB 3.29Å; S512-I516 VanDerWaalsContact O-CG1 3.3Å; S512-I516 WeakPolarHBondContact O-CG1 3.02Å; S512-I516 PolarHBondContact O-N 3.27Å; S512-N604 WeakPolarHBondContact OG-CB 3.36Å; S512-N604 PolarHBondContact OG-ND2 3.45Å; S512-Y605 WeakPolarHBondContact CA-OH 3.37Å |
| 513 | E | 78 | Confident | 74.4 | Confident | 126 Ų | 126 | 51.8 Ų | 51.8 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59 | -42.6 | -179.8 | -165.6 | -172.1 | 165.6 | 0 | 0 | 111.4 | I511 I516 Y517 | I511-E513 VanDerWaalsContact C-N 3.34Å; I511-E513 PolarHBondContact O-N 2.98Å; E513-I516 PolarHBondContact O-N 3.5Å; E513-Y517 HydrophobicContact CB-CD2 4.48Å; E513-Y517 HydrophobicContact CG-CD2 3.78Å; E513-Y517 HydrophobicContact CG-CE2 4.45Å; E513-Y517 WeakPolarHBondContact O-CB 3.38Å; E513-Y517 PolarHBondContact O-N 2.78Å |
| 514 | H | 77.3 | Confident | 72.8 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.1 | -31.5 | 178.9 | -70.6 | 67.2 | 0 | 0 | 0 | 112.9 | L463 F466 R467 I511 S512 | L463-H514 HydrophobicContact CD1-CB 4.48Å; L463-H514 WeakPolarHBondContact CD1-ND1 3.2Å; F466-H514 HydrophobicContact CD1-CB 4.38Å; F466-H514 HydrophobicContact CE1-CB 4.31Å; R467-H514 WeakPolarHBondContact CD-NE2 3.04Å; R467-H514 PolarHBondContact NE-NE2 2.97Å; R467-H514 PolarHBondContact NH1-NE2 3.18Å; R467-H514 VanDerWaalsContact NH1-NE2 3.16Å; I511-H514 PolarHBondContact O-N 3.5Å; S512-H514 VanDerWaalsContact C-N 3.31Å; S512-H514 PolarHBondContact O-N 3.14Å |
| 515 | V | 80 | Confident | 71.3 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71 | -36.5 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 111 | F466 I511 S512 N519 F529 A530 Y605 | F466-V515 HydrophobicContact CE1-CG2 3.85Å; F466-V515 HydrophobicContact CZ-CG2 3.71Å; I511-V515 HydrophobicContact CD1-CG2 4.18Å; I511-V515 HydrophobicContact CG1-CG2 4.08Å; I511-V515 WeakPolarHBondContact O-CG2 3.38Å; I511-V515 PolarHBondContact O-N 3.28Å; I511-V515 VanDerWaalsContact O-N 3.09Å; S512-V515 PolarHBondContact O-N 3.24Å; S512-V515 VanDerWaalsContact O-N 3.17Å; V515-N519 PolarHBondContact O-ND2 3.44Å; V515-F529 HydrophobicContact CG1-CD1 4.22Å; V515-F529 HydrophobicContact CG2-CD1 4Å; V515-F529 HydrophobicContact CG2-CE1 4.13Å; V515-A530 HydrophobicContact CG1-CB 3.53Å; V515-Y605 HydrophobicContact CB-CE1 4.43Å; V515-Y605 HydrophobicContact CG1-CE1 4.01Å |
| 516 | I | 73.8 | Confident | 70.5 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.108 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -95 | -50.6 | -172.7 | -61.4 | 170.5 | 0 | 0 | 0 | 113.1 | S512 E513 N519 N604 Y605 I608 | S512-I516 WeakPolarHBondContact O-CB 3.29Å; S512-I516 VanDerWaalsContact O-CG1 3.3Å; S512-I516 WeakPolarHBondContact O-CG1 3.02Å; S512-I516 PolarHBondContact O-N 3.27Å; E513-I516 PolarHBondContact O-N 3.5Å; I516-N519 WeakPolarHBondContact O-CB 3.39Å; I516-N604 WeakPolarHBondContact CD1-O 3.24Å; I516-Y605 HydrophobicContact CD1-CD1 3.73Å; I516-Y605 HydrophobicContact CD1-CE1 4.08Å; I516-Y605 HydrophobicContact CD1-CG 4.25Å; I516-Y605 HydrophobicContact CG1-CD1 4.16Å; I516-Y605 HydrophobicContact CG1-CE1 4.19Å; I516-I608 HydrophobicContact CG1-CD1 3.99Å |
| 517 | Y | 61.9 | Low | 69.6 | Low | 164 Ų | 164 | 64.1 Ų | 64.1 | 64% | 0.643 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -89.4 | -26.8 | -166.9 | -69.7 | -79.1 | 0 | 0 | 0 | 114.5 | E513 N519 | E513-Y517 HydrophobicContact CB-CD2 4.48Å; E513-Y517 HydrophobicContact CG-CD2 3.78Å; E513-Y517 HydrophobicContact CG-CE2 4.45Å; E513-Y517 WeakPolarHBondContact O-CB 3.38Å; E513-Y517 PolarHBondContact O-N 2.78Å; Y517-N519 PolarHBondContact O-N 2.7Å; Y517-N519 VanDerWaalsContact O-N 3.16Å |
| 518 | K | 55.3 | Low | 69 | Low | 108 Ų | 108 | 68.5 Ų | 68.5 | 47% | 0.47 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -70.4 | -5.6 | 171.9 | -96.6 | -171.9 | 174 | -171.1 | 0 | 113.5 | E520 S521 | K518-E520 PolarHBondContact O-N 3.11Å; K518-S521 PolarHBondContact O-N 3.12Å; K518-S521 VanDerWaalsContact O-N 3.09Å; K518-S521 PolarHBondContact O-OG 2.9Å |
| 519 | N | 47.6 | Very low | 68.7 | Low | 33 Ų | 33 | 69.1 Ų | 69.1 | 18% | 0.176 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -65.7 | -10.9 | 174.9 | -105 | -30.3 | 0 | 0 | 0 | 114.6 | V515 I516 Y517 S521 Q522 I523 | V515-N519 PolarHBondContact O-ND2 3.44Å; I516-N519 WeakPolarHBondContact O-CB 3.39Å; Y517-N519 PolarHBondContact O-N 2.7Å; Y517-N519 VanDerWaalsContact O-N 3.16Å; N519-S521 PolarHBondContact O-N 3.49Å; N519-Q522 PolarHBondContact O-N 3.44Å; N519-I523 PolarHBondContact OD1-O 3.49Å |
| 520 | E | 44.2 | Very low | 68.3 | Low | 191 Ų | 191 | 68.7 Ų | 68.7 | 89% | 0.893 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -57.7 | -17.7 | 167.2 | -68 | -169.3 | 164.6 | 0 | 0 | 112.2 | K518 | K518-E520 PolarHBondContact O-N 3.11Š|
| 521 | S | 42 | Very low | 68.2 | Low | 71 Ų | 71 | 71.1 Ų | 71.1 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -88.3 | 12 | 174.4 | 65.3 | 0 | 0 | 0 | 0 | 116.3 | K518 N519 I523 | K518-S521 PolarHBondContact O-N 3.12Å; K518-S521 VanDerWaalsContact O-N 3.09Å; K518-S521 PolarHBondContact O-OG 2.9Å; N519-S521 PolarHBondContact O-N 3.49Å; S521-I523 VanDerWaalsContact C-N 3.32Å; S521-I523 PolarHBondContact O-N 2.91Å |
| 522 | Q | 45 | Very low | 68.1 | Low | 172 Ų | 172 | 73.4 Ų | 73.4 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | trans | 60.3 | 25.5 | 176 | -59.9 | -172.9 | -4.3 | 0 | 0 | 116.3 | N519 I524 | N519-Q522 PolarHBondContact O-N 3.44Å; Q522-I524 VanDerWaalsContact C-N 3.34Å; Q522-I524 PolarHBondContact O-N 3.26Å | ||
| 523 | I | 54.1 | Low | 68 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | trans | -79.7 | 83.7 | 175.8 | -56.4 | 176.5 | 0 | 0 | 0 | 109.4 | N519 S521 P525 L526 | N519-I523 PolarHBondContact OD1-O 3.49Å; S521-I523 VanDerWaalsContact C-N 3.32Å; S521-I523 PolarHBondContact O-N 2.91Å; I523-P525 HydrophobicContact CG2-CB 4.42Å; I523-P525 HydrophobicContact CG2-CG 4.1Å; I523-P525 WeakPolarHBondContact O-CD 3.41Å; I523-L526 HydrophobicContact CG2-CD1 4.41Å; I523-L526 HydrophobicContact CG2-CG 4.35Å; I523-L526 PolarHBondContact O-N 2.92Å; I523-L526 VanDerWaalsContact O-N 3.13Å | ||
| 524 | I | 58.4 | Low | 68.4 | Low | 122 Ų | 122 | 66.9 Ų | 66.9 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -40.6 | -39.4 | 177 | -61.8 | 170.6 | 0 | 0 | 0 | 114.6 | Q522 L526 L527 N528 | Q522-I524 VanDerWaalsContact C-N 3.34Å; Q522-I524 PolarHBondContact O-N 3.26Å; I524-L526 VanDerWaalsContact C-N 3.31Å; I524-L526 PolarHBondContact O-N 3.42Å; I524-L527 PolarHBondContact O-N 3.08Å; I524-N528 PolarHBondContact O-N 2.98Å |
| 525 | P | 59.9 | Low | 68.8 | Low | 90 Ų | 90 | 68.5 Ų | 68.5 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -54 | -39.4 | 179.1 | -29.3 | 33.6 | 0 | 0 | 0 | 115.4 | I523 F529 | I523-P525 HydrophobicContact CG2-CB 4.42Å; I523-P525 HydrophobicContact CG2-CG 4.1Å; I523-P525 WeakPolarHBondContact O-CD 3.41Å; P525-F529 PolarHBondContact O-N 3.35Å; P525-F529 VanDerWaalsContact O-N 3.14Å |
| 526 | L | 74.8 | Confident | 69.1 | Low | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75.3 | -34.3 | -174.2 | -67.7 | 175.2 | 0 | 0 | 0 | 112.2 | F466 I523 I524 F529 A530 | F466-L526 HydrophobicContact CE1-CD2 4.23Å; F466-L526 HydrophobicContact CZ-CD2 3.72Å; I523-L526 HydrophobicContact CG2-CD1 4.41Å; I523-L526 HydrophobicContact CG2-CG 4.35Å; I523-L526 PolarHBondContact O-N 2.92Å; I523-L526 VanDerWaalsContact O-N 3.13Å; I524-L526 VanDerWaalsContact C-N 3.31Å; I524-L526 PolarHBondContact O-N 3.42Å; L526-F529 WeakPolarHBondContact O-CB 3.5Å; L526-F529 PolarHBondContact O-N 3.45Å; L526-A530 WeakPolarHBondContact O-CB 3.06Å; L526-A530 PolarHBondContact O-N 3.36Å |
| 527 | L | 73.7 | Confident | 69.7 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.3 | -171.1 | 66.7 | 0 | 0 | 0 | 111.6 | I524 F529 A530 Y531 I608 | I524-L527 PolarHBondContact O-N 3.08Å; L527-F529 VanDerWaalsContact C-N 3.33Å; L527-F529 PolarHBondContact O-N 2.91Å; L527-A530 WeakPolarHBondContact O-CB 3.32Å; L527-A530 PolarHBondContact O-N 2.93Å; L527-Y531 HydrophobicContact CD1-CE2 4.14Å; L527-Y531 HydrophobicContact CD2-CE2 4.03Å; L527-Y531 HydrophobicContact CG-CD2 4.09Å; L527-Y531 HydrophobicContact CG-CE2 3.69Å; L527-Y531 WeakPolarHBondContact O-CD2 3.39Å; L527-Y531 PolarHBondContact O-N 3.42Å; L527-I608 HydrophobicContact CD1-CD1 4.37Å |
| 528 | N | 80 | Confident | 70.7 | Confident | 93 Ų | 93 | 60 Ų | 60 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 175 | -75.5 | -16.9 | 0 | 0 | 0 | 111.6 | I524 A530 Y531 I532 | I524-N528 PolarHBondContact O-N 2.98Å; N528-A530 VanDerWaalsContact C-N 3.31Å; N528-A530 PolarHBondContact O-N 3.37Å; N528-Y531 PolarHBondContact O-N 2.9Å; N528-I532 WeakPolarHBondContact O-CG1 2.85Å; N528-I532 PolarHBondContact O-N 2.9Å; N528-I532 VanDerWaalsContact O-N 3.08Å |
| 529 | F | 83.6 | Confident | 72.1 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 175 | -175.5 | -120.7 | 0 | 0 | 0 | 111.6 | F466 F475 L476 T479 L508 I511 V515 P525 L526 L527 Y531 I532 I533 | F466-F529 HydrophobicContact CE2-CE1 4.11Å; F466-F529 HydrophobicContact CZ-CD1 4.49Å; F466-F529 HydrophobicContact CZ-CE1 4.32Å; F475-F529 HydrophobicContact CB-CZ 3.97Å; L476-F529 HydrophobicContact CD1-CD2 4.18Å; L476-F529 HydrophobicContact CD1-CE2 4.44Å; T479-F529 HydrophobicContact CG2-CE2 4.17Å; T479-F529 WeakPolarHBondContact OG1-CE2 3.44Å; L508-F529 HydrophobicContact CD2-CZ 4.03Å; I511-F529 HydrophobicContact CD1-CE1 3.92Å; I511-F529 HydrophobicContact CD1-CZ 4.45Å; V515-F529 HydrophobicContact CG1-CD1 4.22Å; V515-F529 HydrophobicContact CG2-CD1 4Å; V515-F529 HydrophobicContact CG2-CE1 4.13Å; P525-F529 PolarHBondContact O-N 3.35Å; P525-F529 VanDerWaalsContact O-N 3.14Å; L526-F529 WeakPolarHBondContact O-CB 3.5Å; L526-F529 PolarHBondContact O-N 3.45Å; L527-F529 VanDerWaalsContact C-N 3.33Å; L527-F529 PolarHBondContact O-N 2.91Å; F529-Y531 PolarHBondContact O-N 3.43Å; F529-I532 WeakPolarHBondContact O-CB 3.49Å; F529-I532 PolarHBondContact O-N 3.28Å; F529-I532 VanDerWaalsContact O-N 3.17Å; F529-I533 HydrophobicContact CD1-CD1 3.85Å; F529-I533 HydrophobicContact CE1-CD1 3.56Å; F529-I533 HydrophobicContact CE2-CD1 4.4Å; F529-I533 HydrophobicContact CG-CD1 4.4Å; F529-I533 HydrophobicContact CZ-CD1 3.84Å; F529-I533 HydrophobicContact CZ-CG1 4.4Å; F529-I533 WeakPolarHBondContact O-CG1 3.32Å; F529-I533 PolarHBondContact O-N 2.95Å |
| 530 | A | 83 | Confident | 74 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V515 L526 L527 N528 I532 I533 S534 Y605 I608 | V515-A530 HydrophobicContact CG1-CB 3.53Å; L526-A530 WeakPolarHBondContact O-CB 3.06Å; L526-A530 PolarHBondContact O-N 3.36Å; L527-A530 WeakPolarHBondContact O-CB 3.32Å; L527-A530 PolarHBondContact O-N 2.93Å; N528-A530 VanDerWaalsContact C-N 3.31Å; N528-A530 PolarHBondContact O-N 3.37Å; A530-I532 VanDerWaalsContact C-N 3.31Å; A530-I532 PolarHBondContact O-N 3.3Å; A530-I533 PolarHBondContact O-N 3.35Å; A530-S534 PolarHBondContact O-N 2.93Å; A530-S534 PolarHBondContact O-OG 2.91Å; A530-S534 VanDerWaalsContact O-OG 3.12Å; A530-Y605 HydrophobicContact CB-CE1 4.34Å; A530-I608 HydrophobicContact CB-CD1 3.28Å |
| 531 | Y | 84.5 | Confident | 75.9 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.1 | -36.2 | 173.9 | -78.9 | -62.4 | 0 | 0 | 0 | 113 | L527 N528 F529 N535 I608 M612 | L527-Y531 HydrophobicContact CD1-CE2 4.14Å; L527-Y531 HydrophobicContact CD2-CE2 4.03Å; L527-Y531 HydrophobicContact CG-CD2 4.09Å; L527-Y531 HydrophobicContact CG-CE2 3.69Å; L527-Y531 WeakPolarHBondContact O-CD2 3.39Å; L527-Y531 PolarHBondContact O-N 3.42Å; N528-Y531 PolarHBondContact O-N 2.9Å; F529-Y531 PolarHBondContact O-N 3.43Å; Y531-N535 PolarHBondContact O-N 3.36Å; Y531-N535 PolarHBondContact O-ND2 3.21Å; Y531-I608 HydrophobicContact CD1-CG2 3.61Å; Y531-I608 HydrophobicContact CE1-CG2 3.75Å; Y531-I608 HydrophobicContact CG-CG2 4.25Å; Y531-M612 HydrophobicContact CD1-CE 3.6Å; Y531-M612 HydrophobicContact CD1-CG 3.91Å; Y531-M612 HydrophobicContact CD1-SD 3.85Å; Y531-M612 HydrophobicContact CE1-CE 4.47Å; Y531-M612 HydrophobicContact CE1-CG 4.08Å; Y531-M612 HydrophobicContact CG-CE 4.31Å |
| 532 | I | 85.6 | Confident | 77.7 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -47.8 | 174.6 | -65.8 | 166.4 | 0 | 0 | 0 | 109.7 | L476 T479 N528 F529 A530 S534 N535 I536 | L476-I532 HydrophobicContact CD1-CD1 4.46Å; T479-I532 HydrophobicContact CG2-CG2 3.74Å; N528-I532 WeakPolarHBondContact O-CG1 2.85Å; N528-I532 PolarHBondContact O-N 2.9Å; N528-I532 VanDerWaalsContact O-N 3.08Å; F529-I532 WeakPolarHBondContact O-CB 3.49Å; F529-I532 PolarHBondContact O-N 3.28Å; F529-I532 VanDerWaalsContact O-N 3.17Å; A530-I532 VanDerWaalsContact C-N 3.31Å; A530-I532 PolarHBondContact O-N 3.3Å; I532-S534 PolarHBondContact O-N 3.47Å; I532-N535 PolarHBondContact O-N 2.73Å; I532-I536 HydrophobicContact CG2-CD1 3.97Å; I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.42Å |
| 533 | I | 86.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 177.6 | -63.3 | 168.2 | 0 | 0 | 0 | 110.9 | T479 L508 F529 A530 N535 I536 I537 Y605 | T479-I533 HydrophobicContact CG2-CG1 4.18Å; L508-I533 HydrophobicContact CB-CG2 4.42Å; L508-I533 HydrophobicContact CD1-CG1 4.23Å; L508-I533 HydrophobicContact CD1-CG2 4.32Å; L508-I533 HydrophobicContact CD2-CD1 3.84Å; L508-I533 HydrophobicContact CD2-CG1 4.18Å; F529-I533 HydrophobicContact CD1-CD1 3.85Å; F529-I533 HydrophobicContact CE1-CD1 3.56Å; F529-I533 HydrophobicContact CE2-CD1 4.4Å; F529-I533 HydrophobicContact CG-CD1 4.4Å; F529-I533 HydrophobicContact CZ-CD1 3.84Å; F529-I533 HydrophobicContact CZ-CG1 4.4Å; F529-I533 WeakPolarHBondContact O-CG1 3.32Å; F529-I533 PolarHBondContact O-N 2.95Å; A530-I533 PolarHBondContact O-N 3.35Å; I533-N535 VanDerWaalsContact C-N 3.34Å; I533-N535 PolarHBondContact O-N 3.33Å; I533-I536 WeakPolarHBondContact O-CB 3.25Å; I533-I536 PolarHBondContact O-N 2.97Å; I533-I536 VanDerWaalsContact O-N 3.11Å; I533-I537 HydrophobicContact CG2-CD1 3.74Å; I533-I537 HydrophobicContact CG2-CG1 4.35Å; I533-I537 WeakPolarHBondContact O-CG1 3.31Å; I533-I537 PolarHBondContact O-N 3.12Å; I533-Y605 HydrophobicContact CB-CE1 4.45Å; I533-Y605 HydrophobicContact CD1-CE1 4.1Å; I533-Y605 WeakPolarHBondContact CD1-OH 3.3Å; I533-Y605 HydrophobicContact CG2-CD1 4.45Å; I533-Y605 HydrophobicContact CG2-CD2 4.04Å; I533-Y605 HydrophobicContact CG2-CE1 4.22Å; I533-Y605 HydrophobicContact CG2-CE2 3.77Å; I533-Y605 HydrophobicContact CG2-CG 4.37Å |
| 534 | S | 85.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.6 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | A530 I532 I536 I537 L538 I608 M612 | A530-S534 PolarHBondContact O-N 2.93Å; A530-S534 PolarHBondContact O-OG 2.91Å; A530-S534 VanDerWaalsContact O-OG 3.12Å; I532-S534 PolarHBondContact O-N 3.47Å; S534-I536 VanDerWaalsContact C-N 3.35Å; S534-I536 PolarHBondContact O-N 3.28Å; S534-I537 PolarHBondContact O-N 3.37Å; S534-L538 VanDerWaalsContact O-CG 3.31Å; S534-L538 WeakPolarHBondContact O-CG 3.37Å; S534-L538 PolarHBondContact O-N 3.35Å; S534-I608 WeakPolarHBondContact OG-CG2 3.49Å; S534-M612 WeakPolarHBondContact CB-SD 3.35Å |
| 535 | N | 86.3 | Confident | 81.7 | Confident | 52 Ų | 52 | 33.4 Ų | 33.4 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 173.7 | -83.2 | -33.2 | 0 | 0 | 0 | 112.7 | Y531 I532 I533 L538 N539 M612 | Y531-N535 PolarHBondContact O-N 3.36Å; Y531-N535 PolarHBondContact O-ND2 3.21Å; I532-N535 PolarHBondContact O-N 2.73Å; I533-N535 VanDerWaalsContact C-N 3.34Å; I533-N535 PolarHBondContact O-N 3.33Å; N535-L538 PolarHBondContact O-N 3.33Å; N535-N539 PolarHBondContact O-N 3.25Å; N535-N539 PolarHBondContact O-ND2 3.15Å; N535-M612 WeakPolarHBondContact ND2-CE 3.35Å; N535-M612 WeakPolarHBondContact OD1-CE 3.45Å |
| 536 | I | 86.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 176.3 | -72.4 | 168.3 | 0 | 0 | 0 | 110.4 | T479 L482 Q483 I486 I532 I533 S534 L538 N539 Y540 | T479-I536 HydrophobicContact CG2-CD1 3.3Å; T479-I536 WeakPolarHBondContact O-CD1 3.33Å; L482-I536 HydrophobicContact CD2-CG2 3.79Å; L482-I536 HydrophobicContact CG-CG2 3.96Å; Q483-I536 HydrophobicContact CB-CD1 3.77Å; Q483-I536 HydrophobicContact CB-CG1 3.74Å; Q483-I536 HydrophobicContact CG-CD1 4.39Å; Q483-I536 HydrophobicContact CG-CG1 3.9Å; I486-I536 HydrophobicContact CD1-CG2 3.45Å; I486-I536 VanDerWaalsContact CD1-CG2 3.45Å; I532-I536 HydrophobicContact CG2-CD1 3.97Å; I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.42Å; I533-I536 WeakPolarHBondContact O-CB 3.25Å; I533-I536 PolarHBondContact O-N 2.97Å; I533-I536 VanDerWaalsContact O-N 3.11Å; S534-I536 VanDerWaalsContact C-N 3.35Å; S534-I536 PolarHBondContact O-N 3.28Å; I536-L538 VanDerWaalsContact C-N 3.34Å; I536-L538 PolarHBondContact O-N 3.4Å; I536-N539 PolarHBondContact O-N 3.46Å; I536-Y540 WeakPolarHBondContact O-CB 3.28Å; I536-Y540 PolarHBondContact O-N 2.92Å |
| 537 | I | 85.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -47.5 | 177.4 | -66.7 | 161.2 | 0 | 0 | 0 | 110.3 | L505 I533 S534 N539 Y540 I541 V598 C601 I602 Y605 I609 | L505-I537 HydrophobicContact CD2-CG1 4.4Å; I533-I537 HydrophobicContact CG2-CD1 3.74Å; I533-I537 HydrophobicContact CG2-CG1 4.35Å; I533-I537 WeakPolarHBondContact O-CG1 3.31Å; I533-I537 PolarHBondContact O-N 3.12Å; S534-I537 PolarHBondContact O-N 3.37Å; I537-N539 PolarHBondContact O-N 2.9Å; I537-Y540 WeakPolarHBondContact O-CB 3.32Å; I537-Y540 PolarHBondContact O-N 3.28Å; I537-Y540 VanDerWaalsContact O-N 3.15Å; I537-I541 HydrophobicContact CG2-CD1 3.89Å; I537-I541 HydrophobicContact CG2-CG1 4.41Å; I537-I541 VanDerWaalsContact O-CG1 3.29Å; I537-I541 WeakPolarHBondContact O-CG1 3.35Å; I537-I541 PolarHBondContact O-N 3.39Å; I537-V598 HydrophobicContact CG2-CG1 4.39Å; I537-C601 HydrophobicContact CD1-CB 3.58Å; I537-C601 HydrophobicContact CG1-CB 3.91Å; I537-I602 HydrophobicContact CG2-CG1 3.93Å; I537-Y605 HydrophobicContact CD1-CD2 4.02Å; I537-Y605 HydrophobicContact CD1-CG 4.33Å; I537-I609 HydrophobicContact CD1-CD1 4.36Å; I537-I609 HydrophobicContact CG2-CD1 4.19Å |
| 538 | L | 84 | Confident | 82.4 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 179.6 | -71.6 | 176.5 | 0 | 0 | 0 | 112.9 | S534 N535 I536 Y540 I541 H542 I609 M612 T614 L615 | S534-L538 VanDerWaalsContact O-CG 3.31Å; S534-L538 WeakPolarHBondContact O-CG 3.37Å; S534-L538 PolarHBondContact O-N 3.35Å; N535-L538 PolarHBondContact O-N 3.33Å; I536-L538 VanDerWaalsContact C-N 3.34Å; I536-L538 PolarHBondContact O-N 3.4Å; L538-Y540 VanDerWaalsContact C-N 3.33Å; L538-I541 HydrophobicContact CD2-CD1 4.39Å; L538-I541 PolarHBondContact O-N 3.28Å; L538-H542 PolarHBondContact O-N 2.93Å; L538-I609 HydrophobicContact CD2-CG2 3.95Å; L538-I609 HydrophobicContact CG-CG2 4.46Å; L538-M612 HydrophobicContact CD1-CB 4.41Å; L538-T614 WeakPolarHBondContact CD1-OG1 3.4Å; L538-L615 HydrophobicContact CD1-CB 4.45Å; L538-L615 HydrophobicContact CD2-CB 3.75Å; L538-L615 HydrophobicContact CD2-CD2 3.9Å; L538-L615 HydrophobicContact CD2-CG 4.24Å |
| 539 | N | 83.8 | Confident | 81.8 | Confident | 70 Ų | 70 | 29.8 Ų | 29.8 | 37% | 0.374 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 175.4 | -70.6 | -22.4 | 0 | 0 | 0 | 111.7 | I486 N535 I536 I537 H542 K543 | I486-N539 HydrophobicContact CG2-CB 3.86Å; N535-N539 PolarHBondContact O-N 3.25Å; N535-N539 PolarHBondContact O-ND2 3.15Å; I536-N539 PolarHBondContact O-N 3.46Å; I537-N539 PolarHBondContact O-N 2.9Å; N539-H542 PolarHBondContact O-N 3.41Å; N539-K543 PolarHBondContact O-N 2.91Å |
| 540 | Y | 86.7 | Confident | 81 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.7 | -152.8 | -72.2 | 0 | 0 | 0 | 111.8 | I486 L494 S501 L505 I536 I537 L538 H542 K543 L544 L594 V598 | I486-Y540 HydrophobicContact CD1-CD2 3.46Å; I486-Y540 VanDerWaalsContact CD1-CD2 3.46Å; I486-Y540 HydrophobicContact CD1-CE2 4.13Å; I486-Y540 HydrophobicContact CD1-CG 4.46Å; I486-Y540 HydrophobicContact CG1-CD2 3.62Å; I486-Y540 HydrophobicContact CG1-CE2 4.02Å; I486-Y540 HydrophobicContact CG2-CD2 4.48Å; L494-Y540 HydrophobicContact CD1-CE2 3.84Å; L494-Y540 HydrophobicContact CD2-CE1 4.21Å; L494-Y540 HydrophobicContact CD2-CE2 4.36Å; S501-Y540 PolarHBondContact OG-OH 3.21Å; L505-Y540 HydrophobicContact CD1-CD2 3.92Å; L505-Y540 HydrophobicContact CD1-CE2 3.92Å; L505-Y540 HydrophobicContact CD1-CG 4.3Å; I536-Y540 WeakPolarHBondContact O-CB 3.28Å; I536-Y540 PolarHBondContact O-N 2.92Å; I537-Y540 WeakPolarHBondContact O-CB 3.32Å; I537-Y540 PolarHBondContact O-N 3.28Å; I537-Y540 VanDerWaalsContact O-N 3.15Å; L538-Y540 VanDerWaalsContact C-N 3.33Å; Y540-H542 VanDerWaalsContact C-N 3.27Å; Y540-H542 PolarHBondContact O-N 3.18Å; Y540-K543 PolarHBondContact O-N 2.81Å; Y540-K543 VanDerWaalsContact O-N 3.12Å; Y540-L544 HydrophobicContact CD1-CD1 3.59Å; Y540-L544 HydrophobicContact CD1-CD2 4.48Å; Y540-L544 HydrophobicContact CD1-CG 3.66Å; Y540-L544 HydrophobicContact CE1-CD1 3.63Å; Y540-L544 HydrophobicContact CE1-CD2 3.94Å; Y540-L544 HydrophobicContact CE1-CG 3.61Å; Y540-L544 PolarHBondContact O-N 2.87Å; Y540-L594 HydrophobicContact CE1-CD2 4.49Å; Y540-L594 VanDerWaalsContact OH-CD2 3.23Å; Y540-L594 WeakPolarHBondContact OH-CD2 3.4Å; Y540-V598 HydrophobicContact CD1-CG2 3.64Å; Y540-V598 HydrophobicContact CE1-CG2 4.07Å; Y540-V598 HydrophobicContact CG-CG2 4.24Å |
| 541 | I | 83.8 | Confident | 80 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55 | -45 | 175.9 | -71.3 | 165.2 | 0 | 0 | 0 | 110.5 | I537 L538 K543 L544 E545 V598 I602 L620 F623 | I537-I541 HydrophobicContact CG2-CD1 3.89Å; I537-I541 HydrophobicContact CG2-CG1 4.41Å; I537-I541 VanDerWaalsContact O-CG1 3.29Å; I537-I541 WeakPolarHBondContact O-CG1 3.35Å; I537-I541 PolarHBondContact O-N 3.39Å; L538-I541 HydrophobicContact CD2-CD1 4.39Å; L538-I541 PolarHBondContact O-N 3.28Å; I541-K543 VanDerWaalsContact C-N 3.29Å; I541-K543 PolarHBondContact O-N 2.97Å; I541-L544 PolarHBondContact O-N 3.26Å; I541-E545 WeakPolarHBondContact O-CB 3.47Å; I541-E545 PolarHBondContact O-N 3.37Å; I541-V598 HydrophobicContact CD1-CG1 4.35Å; I541-V598 HydrophobicContact CG1-CG1 3.65Å; I541-I602 HydrophobicContact CD1-CD1 3.67Å; I541-I602 HydrophobicContact CD1-CG1 4.07Å; I541-I602 HydrophobicContact CG1-CD1 4.32Å; I541-L620 HydrophobicContact CD1-CD1 3.78Å; I541-F623 HydrophobicContact CG1-CD1 4.16Å; I541-F623 HydrophobicContact CG1-CE1 4.25Å; I541-F623 HydrophobicContact CG1-CG 4.47Å; I541-F623 HydrophobicContact CG2-CB 3.68Å; I541-F623 HydrophobicContact CG2-CD1 4.12Å; I541-F623 HydrophobicContact CG2-CD2 3.98Å; I541-F623 HydrophobicContact CG2-CG 3.64Å |
| 542 | H | 81.5 | Confident | 78.8 | Confident | 92 Ų | 92 | 35.5 Ų | 35.5 | 43% | 0.426 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.3 | -38.6 | -179.6 | -168.3 | 55.8 | 0 | 0 | 0 | 112.4 | L538 N539 Y540 Q546 | L538-H542 PolarHBondContact O-N 2.93Å; N539-H542 PolarHBondContact O-N 3.41Å; Y540-H542 VanDerWaalsContact C-N 3.27Å; Y540-H542 PolarHBondContact O-N 3.18Å; H542-Q546 PolarHBondContact CD2-NE2 3.21Å; H542-Q546 PolarHBondContact NE2-NE2 3.44Å; H542-Q546 VanDerWaalsContact NE2-NE2 3.11Å; H542-Q546 WeakPolarHBondContact O-CG 3.33Å; H542-Q546 PolarHBondContact O-N 2.83Å |
| 543 | K | 81.2 | Confident | 77.4 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -45.4 | 175.3 | -71.9 | -163.8 | 171.7 | -172.9 | 0 | 112.9 | I486 C489 L494 N539 Y540 I541 E545 Q546 Y547 | I486-K543 HydrophobicContact CG2-CD 4.38Å; I486-K543 WeakPolarHBondContact O-CE 3.45Å; I486-K543 PolarHBondContact O-NZ 3.26Å; C489-K543 PolarHBondContact O-NZ 3.23Å; C489-K543 PolarHBondContact SG-NZ 3.34Å; L494-K543 HydrophobicContact CD2-CB 4.18Å; L494-K543 HydrophobicContact CD2-CD 4.02Å; N539-K543 PolarHBondContact O-N 2.91Å; Y540-K543 PolarHBondContact O-N 2.81Å; Y540-K543 VanDerWaalsContact O-N 3.12Å; I541-K543 VanDerWaalsContact C-N 3.29Å; I541-K543 PolarHBondContact O-N 2.97Å; K543-E545 VanDerWaalsContact C-N 3.34Å; K543-E545 PolarHBondContact O-N 2.68Å; K543-Q546 PolarHBondContact O-N 2.81Å; K543-Y547 PolarHBondContact O-N 3.48Å |
| 544 | L | 80.4 | Confident | 75.2 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.2 | -73.2 | -179.8 | 0 | 0 | 0 | 111.5 | Y540 I541 Q546 Y547 I548 L594 V598 F623 | Y540-L544 HydrophobicContact CD1-CD1 3.59Å; Y540-L544 HydrophobicContact CD1-CD2 4.48Å; Y540-L544 HydrophobicContact CD1-CG 3.66Å; Y540-L544 HydrophobicContact CE1-CD1 3.63Å; Y540-L544 HydrophobicContact CE1-CD2 3.94Å; Y540-L544 HydrophobicContact CE1-CG 3.61Å; Y540-L544 PolarHBondContact O-N 2.87Å; I541-L544 PolarHBondContact O-N 3.26Å; L544-Q546 VanDerWaalsContact C-N 3.33Å; L544-Q546 PolarHBondContact O-N 3.26Å; L544-Y547 CarbonylContact O-C 3.44Å; L544-Y547 WeakPolarHBondContact O-CB 3.28Å; L544-Y547 PolarHBondContact O-N 3.43Å; L544-I548 HydrophobicContact CB-CD1 4.42Å; L544-I548 VanDerWaalsContact O-CG1 3.26Å; L544-I548 WeakPolarHBondContact O-CG1 3.38Å; L544-I548 PolarHBondContact O-N 2.66Å; L544-L594 HydrophobicContact CD1-CB 4.4Å; L544-L594 HydrophobicContact CD2-CB 4.22Å; L544-L594 HydrophobicContact CD2-CD1 4.16Å; L544-V598 HydrophobicContact CD1-CB 4.39Å; L544-V598 HydrophobicContact CD1-CG2 3.89Å; L544-F623 HydrophobicContact CB-CD2 4.46Å; L544-F623 HydrophobicContact CB-CE2 3.7Å; L544-F623 HydrophobicContact CD1-CE2 3.91Å; L544-F623 HydrophobicContact CD1-CZ 3.9Å |
| 545 | E | 78.3 | Confident | 73.2 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 177.8 | -171.4 | -175 | -165.3 | 0 | 0 | 111.3 | I541 K543 Y547 I548 T549 | I541-E545 WeakPolarHBondContact O-CB 3.47Å; I541-E545 PolarHBondContact O-N 3.37Å; K543-E545 VanDerWaalsContact C-N 3.34Å; K543-E545 PolarHBondContact O-N 2.68Å; E545-Y547 PolarHBondContact O-N 3.02Å; E545-I548 PolarHBondContact O-N 3.31Å; E545-T549 WeakPolarHBondContact O-CB 3.5Å; E545-T549 PolarHBondContact O-N 2.9Å; E545-T549 PolarHBondContact O-OG1 3.33Å |
| 546 | Q | 77.4 | Confident | 71.1 | Confident | 91 Ų | 91 | 48.1 Ų | 48.1 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.2 | -39.6 | 173.7 | -71.2 | 173.7 | 9.1 | 0 | 0 | 111.6 | N491 H542 K543 L544 Y550 | N491-Q546 PolarHBondContact ND2-OE1 2.94Å; H542-Q546 PolarHBondContact CD2-NE2 3.21Å; H542-Q546 PolarHBondContact NE2-NE2 3.44Å; H542-Q546 VanDerWaalsContact NE2-NE2 3.11Å; H542-Q546 WeakPolarHBondContact O-CG 3.33Å; H542-Q546 PolarHBondContact O-N 2.83Å; K543-Q546 PolarHBondContact O-N 2.81Å; L544-Q546 VanDerWaalsContact C-N 3.33Å; L544-Q546 PolarHBondContact O-N 3.26Å; Q546-Y550 WeakPolarHBondContact O-CB 3.44Å; Q546-Y550 PolarHBondContact O-N 2.9Å; Q546-Y550 VanDerWaalsContact O-N 3.13Å |
| 547 | Y | 74.3 | Confident | 68.5 | Low | 53 Ų | 53 | 53 Ų | 53 | 21% | 0.208 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74 | -45.2 | -179.7 | -165.8 | -120 | 0 | 0 | 0 | 113.1 | L495 K543 L544 E545 T549 Y550 S551 P588 I591 | L495-Y547 HydrophobicContact CD1-CD1 4.24Å; L495-Y547 HydrophobicContact CD1-CD2 4.15Å; L495-Y547 HydrophobicContact CD1-CE1 3.63Å; L495-Y547 HydrophobicContact CD1-CE2 3.62Å; L495-Y547 HydrophobicContact CD1-CG 4.47Å; L495-Y547 HydrophobicContact CD2-CE1 4.23Å; K543-Y547 PolarHBondContact O-N 3.48Å; L544-Y547 CarbonylContact O-C 3.44Å; L544-Y547 WeakPolarHBondContact O-CB 3.28Å; L544-Y547 PolarHBondContact O-N 3.43Å; E545-Y547 PolarHBondContact O-N 3.02Å; Y547-T549 VanDerWaalsContact C-N 3.32Å; Y547-T549 PolarHBondContact O-N 3.05Å; Y547-Y550 WeakPolarHBondContact O-CB 3.39Å; Y547-Y550 PolarHBondContact O-N 3.34Å; Y547-S551 PolarHBondContact O-N 3.2Å; Y547-S551 PolarHBondContact O-OG 2.83Å; Y547-P588 HydrophobicContact CE1-CG 4.01Å; Y547-P588 WeakPolarHBondContact OH-CG 3.36Å; Y547-I591 HydrophobicContact CD1-CD1 3.41Å; Y547-I591 VanDerWaalsContact CD1-CD1 3.41Å; Y547-I591 HydrophobicContact CD1-CG1 3.71Å; Y547-I591 HydrophobicContact CE1-CD1 3.04Å; Y547-I591 HydrophobicContact CE1-CG1 3.38Å |
| 548 | I | 72.1 | Confident | 66.1 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.8 | -63 | 163.2 | 0 | 0 | 0 | 110.3 | L544 E545 Y550 S551 M552 I591 F623 N626 | L544-I548 HydrophobicContact CB-CD1 4.42Å; L544-I548 VanDerWaalsContact O-CG1 3.26Å; L544-I548 WeakPolarHBondContact O-CG1 3.38Å; L544-I548 PolarHBondContact O-N 2.66Å; E545-I548 PolarHBondContact O-N 3.31Å; I548-Y550 VanDerWaalsContact C-N 3.29Å; I548-Y550 PolarHBondContact O-N 2.85Å; I548-S551 WeakPolarHBondContact CA-OG 3.48Å; I548-S551 PolarHBondContact O-N 3.33Å; I548-S551 PolarHBondContact O-OG 3.38Å; I548-M552 HydrophobicContact CG2-CE 3.66Å; I548-M552 HydrophobicContact CG2-CG 3.87Å; I548-M552 VanDerWaalsContact O-CB 3.29Å; I548-M552 WeakPolarHBondContact O-CB 3.41Å; I548-M552 VanDerWaalsContact O-CG 3.29Å; I548-M552 WeakPolarHBondContact O-CG 3.24Å; I548-M552 PolarHBondContact O-N 2.82Å; I548-I591 HydrophobicContact CG1-CG2 4.26Å; I548-F623 HydrophobicContact CD1-CD2 4.16Å; I548-F623 HydrophobicContact CD1-CE2 3.84Å; I548-N626 HydrophobicContact CG2-CB 4Å |
| 549 | T | 68.5 | Low | 64 | Low | 54 Ų | 54 | 62.6 Ų | 62.6 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | E545 Y547 N553 | E545-T549 WeakPolarHBondContact O-CB 3.5Å; E545-T549 PolarHBondContact O-N 2.9Å; E545-T549 PolarHBondContact O-OG1 3.33Å; Y547-T549 VanDerWaalsContact C-N 3.32Å; Y547-T549 PolarHBondContact O-N 3.05Å; T549-N553 WeakPolarHBondContact CG2-ND2 3.42Å; T549-N553 WeakPolarHBondContact O-CB 3.33Å; T549-N553 PolarHBondContact O-N 3.49Å; T549-N553 PolarHBondContact O-ND2 2.81Å; T549-N553 VanDerWaalsContact O-ND2 3.16Å |
| 550 | Y | 65.7 | Low | 61.6 | Low | 172 Ų | 172 | 63.2 Ų | 63.2 | 68% | 0.675 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 174.9 | -178 | -97.6 | 0 | 0 | 0 | 112.3 | Q546 Y547 I548 | Q546-Y550 WeakPolarHBondContact O-CB 3.44Å; Q546-Y550 PolarHBondContact O-N 2.9Å; Q546-Y550 VanDerWaalsContact O-N 3.13Å; Y547-Y550 WeakPolarHBondContact O-CB 3.39Å; Y547-Y550 PolarHBondContact O-N 3.34Å; I548-Y550 VanDerWaalsContact C-N 3.29Å; I548-Y550 PolarHBondContact O-N 2.85Å |
| 551 | S | 61.3 | Low | 59.1 | Low | 25 Ų | 25 | 69.5 Ų | 69.5 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -75.1 | -41.2 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | Y547 I548 | Y547-S551 PolarHBondContact O-N 3.2Å; Y547-S551 PolarHBondContact O-OG 2.83Å; I548-S551 WeakPolarHBondContact CA-OG 3.48Å; I548-S551 PolarHBondContact O-N 3.33Å; I548-S551 PolarHBondContact O-OG 3.38Å |
| 552 | M | 61.2 | Low | 56.9 | Low | 23 Ų | 23 | 77.2 Ų | 77.2 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.9 | -29.8 | -179.4 | -68.9 | -130.6 | -158 | 0 | 0 | 114.2 | I548 Y554 D555 V556 N626 L629 L630 | I548-M552 HydrophobicContact CG2-CE 3.66Å; I548-M552 HydrophobicContact CG2-CG 3.87Å; I548-M552 VanDerWaalsContact O-CB 3.29Å; I548-M552 WeakPolarHBondContact O-CB 3.41Å; I548-M552 VanDerWaalsContact O-CG 3.29Å; I548-M552 WeakPolarHBondContact O-CG 3.24Å; I548-M552 PolarHBondContact O-N 2.82Å; M552-Y554 PolarHBondContact O-N 2.96Å; M552-Y554 VanDerWaalsContact O-N 3.07Å; M552-D555 PolarHBondContact O-N 3.38Å; M552-V556 PolarHBondContact O-N 2.87Å; M552-V556 VanDerWaalsContact O-N 3.11Å; M552-N626 HydrophobicContact CE-CB 4.32Å; M552-N626 WeakPolarHBondContact CE-O 3.45Å; M552-L629 HydrophobicContact CE-CB 3.88Å; M552-L629 HydrophobicContact SD-CB 4.35Å; M552-L630 HydrophobicContact CE-CB 3.92Å; M552-L630 HydrophobicContact CE-CD1 4.27Å |
| 553 | N | 54.6 | Low | 55 | Low | 91 Ų | 91 | 81.4 Ų | 81.4 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -17.9 | 177.4 | -86.2 | -25.2 | 0 | 0 | 0 | 112.6 | T549 L557 | T549-N553 WeakPolarHBondContact CG2-ND2 3.42Å; T549-N553 WeakPolarHBondContact O-CB 3.33Å; T549-N553 PolarHBondContact O-N 3.49Å; T549-N553 PolarHBondContact O-ND2 2.81Å; T549-N553 VanDerWaalsContact O-ND2 3.16Å; N553-L557 WeakPolarHBondContact O-CB 3.34Å; N553-L557 WeakPolarHBondContact O-CD1 3.34Å |
| 554 | Y | 39.9 | Very low | 53 | Low | 140 Ų | 140 | 84.6 Ų | 84.6 | 55% | 0.549 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.9 | -33.6 | 171.8 | -114.5 | -87.4 | 0 | 0 | 0 | 113.1 | M552 I558 | M552-Y554 PolarHBondContact O-N 2.96Å; M552-Y554 VanDerWaalsContact O-N 3.07Å; Y554-I558 WeakPolarHBondContact O-CD1 3.47Å; Y554-I558 WeakPolarHBondContact O-CG1 3.35Å |
| 555 | D | 44.6 | Very low | 50.6 | Low | 53 Ų | 53 | 91 Ų | 91 | 28% | 0.283 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -92.8 | -35.9 | -175.2 | -84.2 | -13.8 | 0 | 0 | 0 | 113.6 | M552 I558 H559 Y633 | M552-D555 PolarHBondContact O-N 3.38Å; D555-I558 PolarHBondContact O-N 3.02Å; D555-H559 PolarHBondContact O-N 3.25Å; D555-Y633 PolarHBondContact OD2-OH 2.93Å |
| 556 | V | 42.2 | Very low | 48.6 | Very low | 81 Ų | 81 | 94.8 Ų | 94.8 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.8 | -34.4 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | M552 I558 H559 C560 | M552-V556 PolarHBondContact O-N 2.87Å; M552-V556 VanDerWaalsContact O-N 3.11Å; V556-I558 VanDerWaalsContact C-N 3.3Å; V556-I558 PolarHBondContact O-N 3.24Å; V556-H559 PolarHBondContact O-N 3.48Å; V556-C560 WeakPolarHBondContact O-CB 3.28Å; V556-C560 PolarHBondContact O-N 3.41Å |
| 557 | L | 31.9 | Very low | 46.8 | Very low | 102 Ų | 102 | 96.2 Ų | 96.2 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -32 | 175.3 | -94.1 | 159.7 | 0 | 0 | 0 | 112.6 | N553 Q561 | N553-L557 WeakPolarHBondContact O-CB 3.34Å; N553-L557 WeakPolarHBondContact O-CD1 3.34Å; L557-Q561 WeakPolarHBondContact O-CB 3.29Å; L557-Q561 WeakPolarHBondContact O-CG 3.23Å; L557-Q561 PolarHBondContact O-N 3.02Å |
| 558 | I | 34.3 | Very low | 45.4 | Very low | 74 Ų | 74 | 99 Ų | 99 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -77 | -33.5 | 178.8 | -64.7 | 174.3 | 0 | 0 | 0 | 111.2 | Y554 D555 V556 | Y554-I558 WeakPolarHBondContact O-CD1 3.47Å; Y554-I558 WeakPolarHBondContact O-CG1 3.35Å; D555-I558 PolarHBondContact O-N 3.02Å; V556-I558 VanDerWaalsContact C-N 3.3Å; V556-I558 PolarHBondContact O-N 3.24Å |
| 559 | H | 39.9 | Very low | 43.8 | Very low | 134 Ų | 134 | 104.4 Ų | 104.4 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -83.2 | -36 | 178.5 | -92.1 | -50.3 | 0 | 0 | 0 | 114.2 | D555 V556 | D555-H559 PolarHBondContact O-N 3.25Å; V556-H559 PolarHBondContact O-N 3.48Å |
| 560 | C | 34.2 | Very low | 42.5 | Very low | 84 Ų | 84 | 107.7 Ų | 107.7 | 57% | 0.568 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.9 | -25.4 | 177.4 | -71.2 | 0 | 0 | 0 | 0 | 113.9 | V556 S564 | V556-C560 WeakPolarHBondContact O-CB 3.28Å; V556-C560 PolarHBondContact O-N 3.41Å; C560-S564 PolarHBondContact O-OG 2.98Å |
| 561 | Q | 34.6 | Very low | 41.4 | Very low | 131 Ų | 131 | 105 Ų | 105 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -18.9 | 175.8 | -77.1 | -174.1 | -8.1 | 0 | 0 | 114 | L557 | L557-Q561 WeakPolarHBondContact O-CB 3.29Å; L557-Q561 WeakPolarHBondContact O-CG 3.23Å; L557-Q561 PolarHBondContact O-N 3.02Å |
| 562 | K | 37.1 | Very low | 40.2 | Very low | 164 Ų | 164 | 109.3 Ų | 109.3 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -10 | -178.5 | -79.9 | -178.7 | 177.2 | 173.8 | 0 | 115.1 | ||
| 563 | Q | 41.3 | Very low | 39 | Very low | 180 Ų | 180 | 113.1 Ų | 113.1 | 84% | 0.841 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -107.6 | 1.8 | -177.4 | -73 | -175.6 | -9 | 0 | 0 | 114.9 | ||
| 564 | S | 38.4 | Very low | 38.2 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -115 | 5 | -174.9 | 49.6 | 0 | 0 | 0 | 0 | 115.8 | C560 | C560-S564 PolarHBondContact O-OG 2.98Š|
| 565 | L | 30.7 | Very low | 37.7 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -117.4 | 128.1 | 174.1 | -83.2 | 129.1 | 0 | 0 | 0 | 111.3 | ||
| 566 | P | 37.3 | Very low | 37.1 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 141.5 | 170 | 22.2 | -24.3 | 0 | 0 | 0 | 108.6 | P568 | P566-P568 WeakPolarHBondContact O-CD 3.41Š|
| 567 | P | 38.8 | Very low | 36.5 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 123.9 | -177.3 | 23 | -31.7 | 0 | 0 | 0 | 109.1 | ||
| 568 | P | 44 | Very low | 36.3 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -66 | 145.1 | 171.6 | 27 | -30.2 | 0 | 0 | 0 | 108.7 | P566 | P566-P568 WeakPolarHBondContact O-CD 3.41Š|
| 569 | P | 38.7 | Very low | 36 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.7 | 175.9 | 25.1 | -31.7 | 0 | 0 | 0 | 109.9 | P571 | P569-P571 WeakPolarHBondContact O-CD 3.49Š|
| 570 | P | 41.2 | Very low | 35.4 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -62 | 123.6 | -174.3 | 24 | -31.4 | 0 | 0 | 0 | 110.1 | ||
| 571 | P | 43.4 | Very low | 35 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142.6 | 169.4 | 10.8 | -0.2 | 0 | 0 | 0 | 109.5 | P569 S573 | P569-P571 WeakPolarHBondContact O-CD 3.49Å; P571-S573 PolarHBondContact O-N 2.99Å |
| 572 | P | 37.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123 | 175.6 | 27.2 | -25.5 | 0 | 0 | 0 | 110.6 | ||
| 573 | S | 35 | Very low | 34.3 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 28.4 | 103.3 | 146.4 | 54 | 0 | 0 | 0 | 0 | 118.5 | P571 | P571-S573 PolarHBondContact O-N 2.99Š| ||
| 574 | Q | 37.3 | Very low | 34.1 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | 178.2 | 103.7 | 142.6 | -97.7 | 159.8 | 32.6 | 0 | 0 | 107 | ||||
| 575 | Q | 30.5 | Very low | 34.4 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | 57.5 | 123.8 | 103.3 | -84 | -171.1 | -5.5 | 0 | 0 | 115.4 | |||||
| 576 | Q | 31.8 | Very low | 35.6 | Very low | 159 Ų | 159 | 143 Ų | 143 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 97.5 | 104.1 | 154.2 | -66 | 173.3 | -3.3 | 0 | 0 | 119.3 | ||||
| 577 | Q | 29.2 | Very low | 36.9 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | 78.9 | 132.3 | 123 | -70.4 | 177.4 | -24.5 | 0 | 0 | 120.6 | |||||
| 578 | H | 27.4 | Very low | 38.3 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | trans | 81.7 | 91.5 | 165 | -59.3 | -65.4 | 0 | 0 | 0 | 118 | ||||
| 579 | H | 28.4 | Very low | 39.8 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 91% | 0.907 | 67% | 0.67 | S | S | * | * | trans | -147.4 | 136.5 | 139.4 | -86.4 | -47.7 | 0 | 0 | 0 | 110.9 | ||||
| 580 | H | 27.9 | Very low | 41.9 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 81% | 0.806 | 64% | 0.644 | S | S | * | * | trans | -54.7 | 135.3 | -169 | -67.1 | -45 | 0 | 0 | 0 | 114.4 | Q582 | H580-Q582 PolarHBondContact O-N 3.31Å; H580-Q582 VanDerWaalsContact O-N 3.07Å | ||
| 581 | Q | 25.8 | Very low | 43.8 | Very low | 195 Ų | 195 | 120.6 Ų | 120.6 | 91% | 0.911 | 61% | 0.606 | S | S | * | * | trans | -65.9 | 97.9 | 154.4 | -76.9 | 176 | -22.4 | 0 | 0 | 107.7 | ||||
| 582 | Q | 28.5 | Very low | 45.6 | Very low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | trans | -81.8 | 109.6 | 163.2 | -81.2 | 180 | -24.7 | 0 | 0 | 107.4 | H580 Q584 | H580-Q582 PolarHBondContact O-N 3.31Å; H580-Q582 VanDerWaalsContact O-N 3.07Å; Q582-Q584 PolarHBondContact O-N 3.42Å | ||
| 583 | Q | 28 | Very low | 47.8 | Very low | 155 Ų | 155 | 110.2 Ų | 110.2 | 72% | 0.724 | 54% | 0.538 | S | S | * | . | trans | -62.3 | 117.7 | 171.8 | -76.5 | 171.8 | -29.4 | 0 | 0 | 108.8 | H585 | Q583-H585 PolarHBondContact O-N 3.4Š| ||
| 584 | Q | 36.8 | Very low | 50.4 | Low | 166 Ų | 166 | 105.3 Ų | 105.3 | 78% | 0.776 | 50% | 0.503 | S | S | * | . | trans | -65.2 | 109.8 | 165.9 | -72.7 | 173.3 | -51.1 | 0 | 0 | 107.5 | Q582 P586 | Q582-Q584 PolarHBondContact O-N 3.42Å; Q584-P586 VanDerWaalsContact O-CD 3.31Å; Q584-P586 WeakPolarHBondContact O-CD 3.19Å | ||
| 585 | H | 45.5 | Very low | 52.7 | Low | 154 Ų | 154 | 96.5 Ų | 96.5 | 71% | 0.713 | 46% | 0.462 | S | S | * | . | trans | -93.1 | 107.1 | 171.9 | -74.2 | -69 | 0 | 0 | 0 | 108.1 | Q583 | Q583-H585 PolarHBondContact O-N 3.4Š| ||
| 586 | P | 55.6 | Low | 55.4 | Low | 83 Ų | 83 | 89.5 Ų | 89.5 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -58 | 149.6 | 172.3 | 24.5 | -32.5 | 0 | 0 | 0 | 109.7 | Q584 | Q584-P586 VanDerWaalsContact O-CD 3.31Å; Q584-P586 WeakPolarHBondContact O-CD 3.19Å |
| 587 | P | 63.2 | Low | 58.2 | Low | 8 Ų | 8 | 82 Ų | 82 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -53 | 136.4 | 176.5 | 6.4 | -13 | 0 | 0 | 0 | 110.3 | I591 F592 L630 Y633 | P587-I591 HydrophobicContact CB-CD1 3.51Å; P587-F592 HydrophobicContact CB-CE1 4.38Å; P587-F592 HydrophobicContact CB-CZ 4.28Å; P587-F592 HydrophobicContact CG-CE1 4Å; P587-F592 HydrophobicContact CG-CZ 3.89Å; P587-L630 HydrophobicContact CB-CD1 4.24Å; P587-L630 HydrophobicContact CG-CD1 3.66Å; P587-Y633 HydrophobicContact CG-CE2 4.47Å |
| 588 | P | 69.9 | Low | 61.1 | Low | 36 Ų | 36 | 74.6 Ų | 74.6 | 23% | 0.234 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 136.8 | 176.2 | -0.3 | -13.1 | 0 | 0 | 0 | 111.5 | Y547 Q590 I591 | Y547-P588 HydrophobicContact CE1-CG 4.01Å; Y547-P588 WeakPolarHBondContact OH-CG 3.36Å; P588-Q590 PolarHBondContact O-N 3.49Å; P588-I591 HydrophobicContact CG-CD1 3.99Å; P588-I591 HydrophobicContact CG-CG1 4.11Å; P588-I591 WeakPolarHBondContact O-CB 3.44Å; P588-I591 WeakPolarHBondContact O-CG1 3.46Å; P588-I591 PolarHBondContact O-N 2.91Å |
| 589 | P | 74.7 | Confident | 64 | Low | 20 Ų | 20 | 66.9 Ų | 66.9 | 13% | 0.13 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -25.1 | -175.1 | 23.5 | -34.2 | 0 | 0 | 0 | 113.6 | L436 I591 F592 Y640 | L436-P589 HydrophobicContact CB-CG 4.13Å; L436-P589 HydrophobicContact CD1-CB 4.02Å; L436-P589 HydrophobicContact CD1-CG 3.96Å; P589-I591 PolarHBondContact O-N 3Å; P589-F592 HydrophobicContact CB-CD2 4.35Å; P589-F592 PolarHBondContact O-N 3.22Å; P589-F592 VanDerWaalsContact O-N 3.13Å; P589-Y640 HydrophobicContact CB-CD1 4.04Å; P589-Y640 HydrophobicContact CB-CE1 3.35Å; P589-Y640 HydrophobicContact CG-CE1 4.06Å |
| 590 | Q | 83.4 | Confident | 66.9 | Low | 41 Ų | 41 | 59.1 Ų | 59.1 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.6 | -34.7 | 173.3 | -60 | 83.5 | -2.5 | 0 | 0 | 112.2 | L436 W498 P588 F592 I593 L594 | L436-Q590 HydrophobicContact CD1-CB 4.37Å; L436-Q590 HydrophobicContact CD1-CG 3.75Å; W498-Q590 HydrophobicContact CD2-CB 3.91Å; W498-Q590 HydrophobicContact CD2-CG 3.73Å; W498-Q590 HydrophobicContact CE3-CB 4.37Å; W498-Q590 HydrophobicContact CG-CB 4.09Å; W498-Q590 HydrophobicContact CG-CG 3.9Å; W498-Q590 HydrophobicContact CZ2-CG 3.9Å; W498-Q590 VanDerWaalsContact NE1-CG 3.31Å; P588-Q590 PolarHBondContact O-N 3.49Å; Q590-F592 VanDerWaalsContact C-N 3.33Å; Q590-F592 PolarHBondContact O-N 2.99Å; Q590-I593 PolarHBondContact O-N 3.08Å; Q590-L594 WeakPolarHBondContact O-CB 2.92Å; Q590-L594 VanDerWaalsContact O-CG 3.3Å; Q590-L594 WeakPolarHBondContact O-CG 3.31Å; Q590-L594 PolarHBondContact O-N 3.19Å |
| 591 | I | 80.9 | Confident | 69.8 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | -179.7 | -54.9 | 174.6 | 0 | 0 | 0 | 110.7 | Y547 I548 P587 P588 P589 I593 L594 C595 L630 | Y547-I591 HydrophobicContact CD1-CD1 3.41Å; Y547-I591 VanDerWaalsContact CD1-CD1 3.41Å; Y547-I591 HydrophobicContact CD1-CG1 3.71Å; Y547-I591 HydrophobicContact CE1-CD1 3.04Å; Y547-I591 HydrophobicContact CE1-CG1 3.38Å; I548-I591 HydrophobicContact CG1-CG2 4.26Å; P587-I591 HydrophobicContact CB-CD1 3.51Å; P588-I591 HydrophobicContact CG-CD1 3.99Å; P588-I591 HydrophobicContact CG-CG1 4.11Å; P588-I591 WeakPolarHBondContact O-CB 3.44Å; P588-I591 WeakPolarHBondContact O-CG1 3.46Å; P588-I591 PolarHBondContact O-N 2.91Å; P589-I591 PolarHBondContact O-N 3Å; I591-I593 VanDerWaalsContact C-N 3.3Å; I591-I593 PolarHBondContact O-N 3.15Å; I591-L594 PolarHBondContact O-N 2.88Å; I591-C595 WeakPolarHBondContact O-CB 3.45Å; I591-C595 PolarHBondContact O-N 2.72Å; I591-C595 PolarHBondContact O-SG 3.15Å; I591-C595 VanDerWaalsContact O-SG 3.42Å; I591-L630 HydrophobicContact CG2-CD2 3.8Å |
| 592 | F | 80.2 | Confident | 72.7 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | -177.4 | -50.6 | -53.3 | 0 | 0 | 0 | 110.3 | P587 P589 Q590 K596 L630 L644 L647 | P587-F592 HydrophobicContact CB-CE1 4.38Å; P587-F592 HydrophobicContact CB-CZ 4.28Å; P587-F592 HydrophobicContact CG-CE1 4Å; P587-F592 HydrophobicContact CG-CZ 3.89Å; P589-F592 HydrophobicContact CB-CD2 4.35Å; P589-F592 PolarHBondContact O-N 3.22Å; P589-F592 VanDerWaalsContact O-N 3.13Å; Q590-F592 VanDerWaalsContact C-N 3.33Å; Q590-F592 PolarHBondContact O-N 2.99Å; F592-K596 VanDerWaalsContact O-CB 3.26Å; F592-K596 WeakPolarHBondContact O-CB 3.5Å; F592-K596 PolarHBondContact O-N 2.83Å; F592-L630 HydrophobicContact CD1-CD1 4.4Å; F592-L630 HydrophobicContact CD1-CD2 3.57Å; F592-L630 HydrophobicContact CD1-CG 3.71Å; F592-L630 HydrophobicContact CE1-CD1 3.8Å; F592-L630 HydrophobicContact CE1-CD2 3.84Å; F592-L630 HydrophobicContact CE1-CG 3.54Å; F592-L644 HydrophobicContact CB-CD2 4.41Å; F592-L644 HydrophobicContact CD1-CD2 3.64Å; F592-L644 HydrophobicContact CD2-CD2 4.17Å; F592-L644 HydrophobicContact CE1-CD2 3.85Å; F592-L644 HydrophobicContact CE2-CD2 4.36Å; F592-L644 HydrophobicContact CG-CD2 3.83Å; F592-L644 HydrophobicContact CZ-CD2 4.22Å; F592-L647 HydrophobicContact CB-CD2 4.49Å; F592-L647 HydrophobicContact CD1-CD2 4.33Å |
| 593 | I | 85.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 177.1 | -54.4 | 176.8 | 0 | 0 | 0 | 110.5 | Y432 L436 W498 E502 Q590 I591 C595 K596 T597 | Y432-I593 HydrophobicContact CD1-CD1 4.3Å; Y432-I593 HydrophobicContact CD2-CG2 4.29Å; Y432-I593 HydrophobicContact CE1-CD1 4.1Å; Y432-I593 HydrophobicContact CE2-CD1 4.47Å; Y432-I593 HydrophobicContact CE2-CG2 3.69Å; L436-I593 HydrophobicContact CD1-CD1 3.75Å; L436-I593 HydrophobicContact CD2-CD1 3.85Å; L436-I593 HydrophobicContact CG-CD1 4.49Å; W498-I593 HydrophobicContact CH2-CD1 3.82Å; W498-I593 HydrophobicContact CZ3-CB 4.19Å; W498-I593 HydrophobicContact CZ3-CD1 4.09Å; W498-I593 HydrophobicContact CZ3-CG2 3.97Å; E502-I593 HydrophobicContact CG-CG2 3.88Å; Q590-I593 PolarHBondContact O-N 3.08Å; I591-I593 VanDerWaalsContact C-N 3.3Å; I591-I593 PolarHBondContact O-N 3.15Å; I593-C595 PolarHBondContact O-N 3.44Å; I593-K596 WeakPolarHBondContact O-CB 3.29Å; I593-K596 PolarHBondContact O-N 3.47Å; I593-T597 PolarHBondContact O-N 2.95Å; I593-T597 PolarHBondContact O-OG1 3.46Å; I593-T597 VanDerWaalsContact O-OG1 3.12Å |
| 594 | L | 88 | Confident | 78.2 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 178 | -72 | 178.7 | 0 | 0 | 0 | 112.6 | L495 W498 E502 Y540 L544 Q590 I591 K596 T597 V598 | L495-L594 HydrophobicContact CD2-CD1 4.28Å; W498-L594 HydrophobicContact CB-CD1 4.07Å; W498-L594 HydrophobicContact CB-CD2 4.36Å; W498-L594 HydrophobicContact CB-CG 4.49Å; W498-L594 HydrophobicContact CE3-CD2 4.24Å; W498-L594 HydrophobicContact CE3-CG 4.38Å; E502-L594 HydrophobicContact CB-CD2 3.77Å; E502-L594 HydrophobicContact CG-CD2 4.11Å; Y540-L594 HydrophobicContact CE1-CD2 4.49Å; Y540-L594 VanDerWaalsContact OH-CD2 3.23Å; Y540-L594 WeakPolarHBondContact OH-CD2 3.4Å; L544-L594 HydrophobicContact CD1-CB 4.4Å; L544-L594 HydrophobicContact CD2-CB 4.22Å; L544-L594 HydrophobicContact CD2-CD1 4.16Å; Q590-L594 WeakPolarHBondContact O-CB 2.92Å; Q590-L594 VanDerWaalsContact O-CG 3.3Å; Q590-L594 WeakPolarHBondContact O-CG 3.31Å; Q590-L594 PolarHBondContact O-N 3.19Å; I591-L594 PolarHBondContact O-N 2.88Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 3.06Å; L594-T597 PolarHBondContact O-N 2.84Å; L594-V598 WeakPolarHBondContact O-CB 3.47Å; L594-V598 VanDerWaalsContact O-CG2 3.28Å; L594-V598 WeakPolarHBondContact O-CG2 3.34Å; L594-V598 PolarHBondContact O-N 2.93Å |
| 595 | C | 86.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.7 | -78 | 0 | 0 | 0 | 0 | 111 | I591 I593 V598 L599 L647 | I591-C595 WeakPolarHBondContact O-CB 3.45Å; I591-C595 PolarHBondContact O-N 2.72Å; I591-C595 PolarHBondContact O-SG 3.15Å; I591-C595 VanDerWaalsContact O-SG 3.42Å; I593-C595 PolarHBondContact O-N 3.44Å; C595-V598 PolarHBondContact O-N 2.66Å; C595-L599 WeakPolarHBondContact O-CB 3.49Å; C595-L599 WeakPolarHBondContact O-CD1 3.18Å; C595-L599 WeakPolarHBondContact O-CG 3.46Å; C595-L599 PolarHBondContact O-N 3.47Å; C595-L647 HydrophobicContact CB-CD1 3.71Å |
| 596 | K | 87.9 | Confident | 82.3 | Confident | 26 Ų | 26 | 19.2 Ų | 19.2 | 11% | 0.113 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.5 | -51.1 | 176.3 | 179.3 | -170.6 | 163.5 | -169.7 | 0 | 111.1 | F592 I593 L594 V598 L599 L600 E646 L647 I650 | F592-K596 VanDerWaalsContact O-CB 3.26Å; F592-K596 WeakPolarHBondContact O-CB 3.5Å; F592-K596 PolarHBondContact O-N 2.83Å; I593-K596 WeakPolarHBondContact O-CB 3.29Å; I593-K596 PolarHBondContact O-N 3.47Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 3.06Å; K596-V598 PolarHBondContact O-N 2.96Å; K596-L599 PolarHBondContact O-N 2.92Å; K596-L600 HydrophobicContact CG-CD1 4.44Å; K596-L600 WeakPolarHBondContact O-CG 3.33Å; K596-L600 PolarHBondContact O-N 3.34Å; K596-E646 HydrophobicContact CD-CB 4.31Å; K596-E646 WeakPolarHBondContact CE-OE2 3.44Å; K596-E646 IonicContact NZ-OE2 2.69Å; K596-E646 PolarHBondContact NZ-OE2 3.25Å; K596-L647 HydrophobicContact CB-CD1 4.16Å; K596-I650 HydrophobicContact CD-CD1 4.32Å; K596-I650 HydrophobicContact CG-CD1 3.55Å |
| 597 | T | 89.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | -178.9 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | E502 L505 F506 I593 L594 L600 C601 | E502-T597 HydrophobicContact CG-CG2 4.33Å; E502-T597 PolarHBondContact OE1-OG1 2.89Å; L505-T597 HydrophobicContact CB-CG2 3.69Å; F506-T597 HydrophobicContact CB-CG2 4.01Å; F506-T597 HydrophobicContact CD2-CG2 4.48Å; I593-T597 PolarHBondContact O-N 2.95Å; I593-T597 PolarHBondContact O-OG1 3.46Å; I593-T597 VanDerWaalsContact O-OG1 3.12Å; L594-T597 PolarHBondContact O-N 2.84Å; T597-L600 WeakPolarHBondContact O-CB 3.33Å; T597-L600 PolarHBondContact O-N 2.87Å; T597-C601 PolarHBondContact O-N 3.35Å; T597-C601 PolarHBondContact O-SG 2.87Å |
| 598 | V | 89.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | L505 I537 Y540 I541 L544 L594 C595 K596 C601 I602 F623 | L505-V598 HydrophobicContact CD1-CG2 3.95Å; I537-V598 HydrophobicContact CG2-CG1 4.39Å; Y540-V598 HydrophobicContact CD1-CG2 3.64Å; Y540-V598 HydrophobicContact CE1-CG2 4.07Å; Y540-V598 HydrophobicContact CG-CG2 4.24Å; I541-V598 HydrophobicContact CD1-CG1 4.35Å; I541-V598 HydrophobicContact CG1-CG1 3.65Å; L544-V598 HydrophobicContact CD1-CB 4.39Å; L544-V598 HydrophobicContact CD1-CG2 3.89Å; L594-V598 WeakPolarHBondContact O-CB 3.47Å; L594-V598 VanDerWaalsContact O-CG2 3.28Å; L594-V598 WeakPolarHBondContact O-CG2 3.34Å; L594-V598 PolarHBondContact O-N 2.93Å; C595-V598 PolarHBondContact O-N 2.66Å; K596-V598 PolarHBondContact O-N 2.96Å; V598-C601 WeakPolarHBondContact O-CB 3.42Å; V598-C601 PolarHBondContact O-N 3.36Å; V598-I602 HydrophobicContact CG1-CD1 4.02Å; V598-I602 HydrophobicContact CG1-CG1 4.45Å; V598-I602 VanDerWaalsContact O-CG1 3.31Å; V598-I602 WeakPolarHBondContact O-CG1 3.31Å; V598-I602 PolarHBondContact O-N 3.34Å; V598-F623 HydrophobicContact CB-CZ 4.38Å; V598-F623 HydrophobicContact CG1-CE1 3.83Å; V598-F623 HydrophobicContact CG1-CZ 3.97Å |
| 599 | L | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.5 | -72.2 | 164.9 | 0 | 0 | 0 | 112.1 | C595 K596 C601 I602 E603 F623 I624 L647 I650 S651 V654 | C595-L599 WeakPolarHBondContact O-CB 3.49Å; C595-L599 WeakPolarHBondContact O-CD1 3.18Å; C595-L599 WeakPolarHBondContact O-CG 3.46Å; C595-L599 PolarHBondContact O-N 3.47Å; K596-L599 PolarHBondContact O-N 2.92Å; L599-C601 VanDerWaalsContact C-N 3.34Å; L599-I602 HydrophobicContact CD2-CD1 4.21Å; L599-I602 PolarHBondContact O-N 2.88Å; L599-I602 VanDerWaalsContact O-N 3.16Å; L599-E603 WeakPolarHBondContact O-CB 3.19Å; L599-E603 PolarHBondContact O-N 3.25Å; L599-F623 HydrophobicContact CD2-CD1 4.44Å; L599-F623 HydrophobicContact CD2-CE1 4.07Å; L599-F623 HydrophobicContact CG-CE1 4.18Å; L599-I624 HydrophobicContact CD2-CB 4.29Å; L599-I624 HydrophobicContact CD2-CG1 3.73Å; L599-I624 HydrophobicContact CD2-CG2 4.16Å; L599-L647 HydrophobicContact CD1-CD1 3.65Å; L599-I650 HydrophobicContact CB-CG2 3.53Å; L599-S651 WeakPolarHBondContact CD1-OG 3.12Å; L599-V654 HydrophobicContact CB-CG2 4.29Å; L599-V654 HydrophobicContact CD2-CB 4.45Å; L599-V654 HydrophobicContact CD2-CG2 4.16Å; L599-V654 WeakPolarHBondContact O-CG2 3.22Å |
| 600 | L | 88.8 | Confident | 84.5 | Confident | 33 Ų | 33 | 19.3 Ų | 19.3 | 17% | 0.173 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 171.1 | -73.4 | 166.6 | 0 | 0 | 0 | 111.4 | K596 T597 I602 E603 N604 I650 | K596-L600 HydrophobicContact CG-CD1 4.44Å; K596-L600 WeakPolarHBondContact O-CG 3.33Å; K596-L600 PolarHBondContact O-N 3.34Å; T597-L600 WeakPolarHBondContact O-CB 3.33Å; T597-L600 PolarHBondContact O-N 2.87Å; L600-I602 VanDerWaalsContact C-N 3.32Å; L600-I602 PolarHBondContact O-N 3.17Å; L600-E603 PolarHBondContact O-N 2.9Å; L600-N604 WeakPolarHBondContact O-CB 3.49Å; L600-N604 PolarHBondContact O-N 3.49Å; L600-N604 PolarHBondContact O-ND2 3.37Å; L600-I650 HydrophobicContact CD1-CD1 4.12Å; L600-I650 HydrophobicContact CD2-CD1 3.71Å; L600-I650 HydrophobicContact CD2-CG1 4.02Å; L600-I650 HydrophobicContact CD2-CG2 4.13Å; L600-I650 HydrophobicContact CG-CD1 3.77Å; L600-I650 HydrophobicContact CG-CG1 4.44Å; L600-I650 HydrophobicContact CG-CG2 4.17Å |
| 601 | C | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 173.9 | -65 | 0 | 0 | 0 | 0 | 112.1 | L505 I537 T597 V598 L599 Y605 | L505-C601 PolarHBondContact O-SG 2.98Å; I537-C601 HydrophobicContact CD1-CB 3.58Å; I537-C601 HydrophobicContact CG1-CB 3.91Å; T597-C601 PolarHBondContact O-N 3.35Å; T597-C601 PolarHBondContact O-SG 2.87Å; V598-C601 WeakPolarHBondContact O-CB 3.42Å; V598-C601 PolarHBondContact O-N 3.36Å; L599-C601 VanDerWaalsContact C-N 3.34Å; C601-Y605 WeakPolarHBondContact O-CB 3.45Å; C601-Y605 WeakPolarHBondContact O-CD2 3.47Å; C601-Y605 PolarHBondContact O-N 3.23Å |
| 602 | I | 86.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -49.4 | 175.9 | -65.3 | 160.7 | 0 | 0 | 0 | 110.1 | I537 I541 V598 L599 L600 N604 Y605 Y606 I609 L620 F623 V654 | I537-I602 HydrophobicContact CG2-CG1 3.93Å; I541-I602 HydrophobicContact CD1-CD1 3.67Å; I541-I602 HydrophobicContact CD1-CG1 4.07Å; I541-I602 HydrophobicContact CG1-CD1 4.32Å; V598-I602 HydrophobicContact CG1-CD1 4.02Å; V598-I602 HydrophobicContact CG1-CG1 4.45Å; V598-I602 VanDerWaalsContact O-CG1 3.31Å; V598-I602 WeakPolarHBondContact O-CG1 3.31Å; V598-I602 PolarHBondContact O-N 3.34Å; L599-I602 HydrophobicContact CD2-CD1 4.21Å; L599-I602 PolarHBondContact O-N 2.88Å; L599-I602 VanDerWaalsContact O-N 3.16Å; L600-I602 VanDerWaalsContact C-N 3.32Å; L600-I602 PolarHBondContact O-N 3.17Å; I602-N604 PolarHBondContact O-N 2.99Å; I602-Y605 PolarHBondContact O-N 3.24Å; I602-Y606 HydrophobicContact CG2-CD2 4.26Å; I602-Y606 VanDerWaalsContact O-CA 3.22Å; I602-Y606 WeakPolarHBondContact O-CA 3.08Å; I602-Y606 WeakPolarHBondContact O-CB 3.35Å; I602-Y606 PolarHBondContact O-N 3.19Å; I602-I609 HydrophobicContact CG1-CD1 4.37Å; I602-I609 HydrophobicContact CG2-CD1 4.49Å; I602-L620 HydrophobicContact CD1-CD1 3.8Å; I602-L620 HydrophobicContact CG1-CD1 4.25Å; I602-L620 HydrophobicContact CG2-CD1 4.21Å; I602-F623 HydrophobicContact CD1-CD1 4.17Å; I602-F623 HydrophobicContact CD1-CE1 4.1Å; I602-V654 HydrophobicContact CB-CG1 4.35Å; I602-V654 HydrophobicContact CG2-CG1 3.56Å; I602-V654 HydrophobicContact CG2-CG2 4.5Å |
| 603 | E | 86.3 | Confident | 82.7 | Confident | 61 Ų | 61 | 29.1 Ų | 29.1 | 29% | 0.285 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -50.6 | -48.3 | 176.2 | 168.2 | 165.3 | -147.1 | 0 | 0 | 111 | L599 L600 V654 I657 | L599-E603 WeakPolarHBondContact O-CB 3.19Å; L599-E603 PolarHBondContact O-N 3.25Å; L600-E603 PolarHBondContact O-N 2.9Å; E603-V654 HydrophobicContact CB-CG2 3.94Å; E603-I657 HydrophobicContact CB-CD1 4.16Å; E603-I657 HydrophobicContact CG-CD1 3.71Å |
| 604 | N | 86.6 | Confident | 81.3 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.6 | -40.7 | -176.6 | -76.2 | -19.9 | 0 | 0 | 0 | 113.8 | S509 S512 I516 L600 I602 | S509-N604 PolarHBondContact O-ND2 3.45Å; S509-N604 PolarHBondContact OG-ND2 3.31Å; S512-N604 WeakPolarHBondContact OG-CB 3.36Å; S512-N604 PolarHBondContact OG-ND2 3.45Å; I516-N604 WeakPolarHBondContact CD1-O 3.24Å; L600-N604 WeakPolarHBondContact O-CB 3.49Å; L600-N604 PolarHBondContact O-N 3.49Å; L600-N604 PolarHBondContact O-ND2 3.37Å; I602-N604 PolarHBondContact O-N 2.99Å |
| 605 | Y | 85.9 | Confident | 80 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -98.6 | 9.2 | -177.4 | -71.6 | -82.9 | 0 | 0 | 0 | 114.4 | L508 S512 V515 I516 A530 I533 I537 C601 I602 S607 I608 I609 | L508-Y605 WeakPolarHBondContact O-CE2 3.03Å; L508-Y605 PolarHBondContact O-OH 3.26Å; S512-Y605 WeakPolarHBondContact CA-OH 3.37Å; V515-Y605 HydrophobicContact CB-CE1 4.43Å; V515-Y605 HydrophobicContact CG1-CE1 4.01Å; I516-Y605 HydrophobicContact CD1-CD1 3.73Å; I516-Y605 HydrophobicContact CD1-CE1 4.08Å; I516-Y605 HydrophobicContact CD1-CG 4.25Å; I516-Y605 HydrophobicContact CG1-CD1 4.16Å; I516-Y605 HydrophobicContact CG1-CE1 4.19Å; A530-Y605 HydrophobicContact CB-CE1 4.34Å; I533-Y605 HydrophobicContact CB-CE1 4.45Å; I533-Y605 HydrophobicContact CD1-CE1 4.1Å; I533-Y605 WeakPolarHBondContact CD1-OH 3.3Å; I533-Y605 HydrophobicContact CG2-CD1 4.45Å; I533-Y605 HydrophobicContact CG2-CD2 4.04Å; I533-Y605 HydrophobicContact CG2-CE1 4.22Å; I533-Y605 HydrophobicContact CG2-CE2 3.77Å; I533-Y605 HydrophobicContact CG2-CG 4.37Å; I537-Y605 HydrophobicContact CD1-CD2 4.02Å; I537-Y605 HydrophobicContact CD1-CG 4.33Å; C601-Y605 WeakPolarHBondContact O-CB 3.45Å; C601-Y605 WeakPolarHBondContact O-CD2 3.47Å; C601-Y605 PolarHBondContact O-N 3.23Å; I602-Y605 PolarHBondContact O-N 3.24Å; Y605-S607 VanDerWaalsContact C-N 3.29Å; Y605-S607 PolarHBondContact O-N 3.08Å; Y605-I608 PolarHBondContact O-N 2.88Å; Y605-I609 WeakPolarHBondContact O-CG1 3.48Å; Y605-I609 PolarHBondContact O-N 3.26Å |
| 606 | Y | 81.8 | Confident | 78.9 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.1 | -44.2 | -171.9 | -175.8 | -104.9 | 0 | 0 | 0 | 113.2 | I602 I608 I609 V610 L620 I657 I658 S661 | I602-Y606 HydrophobicContact CG2-CD2 4.26Å; I602-Y606 VanDerWaalsContact O-CA 3.22Å; I602-Y606 WeakPolarHBondContact O-CA 3.08Å; I602-Y606 WeakPolarHBondContact O-CB 3.35Å; I602-Y606 PolarHBondContact O-N 3.19Å; Y606-I608 PolarHBondContact O-N 3.31Å; Y606-I608 VanDerWaalsContact O-N 3.13Å; Y606-I609 PolarHBondContact O-N 3.09Å; Y606-V610 HydrophobicContact CD1-CG2 3.93Å; Y606-V610 HydrophobicContact CD2-CG2 3.94Å; Y606-V610 HydrophobicContact CE1-CG2 3.45Å; Y606-V610 VanDerWaalsContact CE1-CG2 3.45Å; Y606-V610 HydrophobicContact CE2-CG2 3.42Å; Y606-V610 VanDerWaalsContact CE2-CG2 3.42Å; Y606-V610 HydrophobicContact CG-CG2 4.17Å; Y606-V610 WeakPolarHBondContact O-CG2 3.36Å; Y606-V610 PolarHBondContact O-N 3.17Å; Y606-V610 WeakPolarHBondContact OH-CG2 3.44Å; Y606-L620 HydrophobicContact CE2-CD2 4.23Å; Y606-I657 HydrophobicContact CD1-CG2 3.22Å; Y606-I657 HydrophobicContact CD2-CG2 4.24Å; Y606-I657 HydrophobicContact CE1-CG2 3.62Å; Y606-I657 HydrophobicContact CG-CG2 3.55Å; Y606-I658 HydrophobicContact CD2-CG1 4.33Å; Y606-I658 HydrophobicContact CE2-CD1 4.26Å; Y606-I658 HydrophobicContact CE2-CG1 3.4Å; Y606-I658 WeakPolarHBondContact OH-CA 3.31Å; Y606-I658 WeakPolarHBondContact OH-CG1 3.47Å; Y606-S661 WeakPolarHBondContact CE1-OG 3.32Å; Y606-S661 PolarHBondContact OH-OG 2.86Å |
| 607 | S | 77.4 | Confident | 78 | Confident | 66 Ų | 66 | 40.2 Ų | 40.2 | 46% | 0.462 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.9 | -30.5 | -178.3 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | Y605 T611 | Y605-S607 VanDerWaalsContact C-N 3.29Å; Y605-S607 PolarHBondContact O-N 3.08Å; S607-T611 WeakPolarHBondContact O-CG2 3.29Å |
| 608 | I | 80.4 | Confident | 77 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -91.6 | -42.4 | 178.7 | -61.1 | 177.3 | 0 | 0 | 0 | 110.2 | I516 L527 A530 Y531 S534 Y605 Y606 V610 T611 M612 | I516-I608 HydrophobicContact CG1-CD1 3.99Å; L527-I608 HydrophobicContact CD1-CD1 4.37Å; A530-I608 HydrophobicContact CB-CD1 3.28Å; Y531-I608 HydrophobicContact CD1-CG2 3.61Å; Y531-I608 HydrophobicContact CE1-CG2 3.75Å; Y531-I608 HydrophobicContact CG-CG2 4.25Å; S534-I608 WeakPolarHBondContact OG-CG2 3.49Å; Y605-I608 PolarHBondContact O-N 2.88Å; Y606-I608 PolarHBondContact O-N 3.31Å; Y606-I608 VanDerWaalsContact O-N 3.13Å; I608-V610 VanDerWaalsContact C-N 3.26Å; I608-V610 PolarHBondContact O-N 2.92Å; I608-T611 PolarHBondContact O-N 3.34Å; I608-T611 PolarHBondContact O-OG1 2.78Å; I608-M612 WeakPolarHBondContact O-CG 3.49Å; I608-M612 PolarHBondContact O-N 3Å |
| 609 | I | 78.3 | Confident | 76.2 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.4 | -43.8 | 177.8 | -67.7 | 168.8 | 0 | 0 | 0 | 110.9 | I537 L538 I602 Y605 Y606 T611 M612 L620 | I537-I609 HydrophobicContact CD1-CD1 4.36Å; I537-I609 HydrophobicContact CG2-CD1 4.19Å; L538-I609 HydrophobicContact CD2-CG2 3.95Å; L538-I609 HydrophobicContact CG-CG2 4.46Å; I602-I609 HydrophobicContact CG1-CD1 4.37Å; I602-I609 HydrophobicContact CG2-CD1 4.49Å; Y605-I609 WeakPolarHBondContact O-CG1 3.48Å; Y605-I609 PolarHBondContact O-N 3.26Å; Y606-I609 PolarHBondContact O-N 3.09Å; I609-T611 PolarHBondContact O-N 3.11Å; I609-M612 WeakPolarHBondContact O-CB 2.97Å; I609-M612 PolarHBondContact O-N 3.49Å; I609-L620 HydrophobicContact CG2-CD2 4.48Å |
| 610 | V | 73.7 | Confident | 75.7 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.2 | 179.1 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | Y606 I608 M612 | Y606-V610 HydrophobicContact CD1-CG2 3.93Å; Y606-V610 HydrophobicContact CD2-CG2 3.94Å; Y606-V610 HydrophobicContact CE1-CG2 3.45Å; Y606-V610 VanDerWaalsContact CE1-CG2 3.45Å; Y606-V610 HydrophobicContact CE2-CG2 3.42Å; Y606-V610 VanDerWaalsContact CE2-CG2 3.42Å; Y606-V610 HydrophobicContact CG-CG2 4.17Å; Y606-V610 WeakPolarHBondContact O-CG2 3.36Å; Y606-V610 PolarHBondContact O-N 3.17Å; Y606-V610 WeakPolarHBondContact OH-CG2 3.44Å; I608-V610 VanDerWaalsContact C-N 3.26Å; I608-V610 PolarHBondContact O-N 2.92Å; V610-M612 VanDerWaalsContact C-N 3.29Å |
| 611 | T | 75.1 | Confident | 75.1 | Confident | 81 Ų | 81 | 43.8 Ų | 43.8 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -15.8 | 175.6 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | S607 I608 I609 | S607-T611 WeakPolarHBondContact O-CG2 3.29Å; I608-T611 PolarHBondContact O-N 3.34Å; I608-T611 PolarHBondContact O-OG1 2.78Å; I609-T611 PolarHBondContact O-N 3.11Å |
| 612 | M | 72.9 | Confident | 74.6 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | trans | -85.8 | 120 | -179.5 | -55 | -164.9 | 88.9 | 0 | 0 | 110.5 | Y531 S534 N535 L538 I608 I609 V610 T614 | Y531-M612 HydrophobicContact CD1-CE 3.6Å; Y531-M612 HydrophobicContact CD1-CG 3.91Å; Y531-M612 HydrophobicContact CD1-SD 3.85Å; Y531-M612 HydrophobicContact CE1-CE 4.47Å; Y531-M612 HydrophobicContact CE1-CG 4.08Å; Y531-M612 HydrophobicContact CG-CE 4.31Å; S534-M612 WeakPolarHBondContact CB-SD 3.35Å; N535-M612 WeakPolarHBondContact ND2-CE 3.35Å; N535-M612 WeakPolarHBondContact OD1-CE 3.45Å; L538-M612 HydrophobicContact CD1-CB 4.41Å; I608-M612 WeakPolarHBondContact O-CG 3.49Å; I608-M612 PolarHBondContact O-N 3Å; I609-M612 WeakPolarHBondContact O-CB 2.97Å; I609-M612 PolarHBondContact O-N 3.49Å; V610-M612 VanDerWaalsContact C-N 3.29Å; M612-T614 PolarHBondContact O-N 3.44Å | ||
| 613 | V | 58.1 | Low | 74.4 | Confident | 147 Ų | 147 | 47.3 Ų | 47.3 | 89% | 0.891 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -1 | -175.3 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 614 | T | 56.6 | Low | 74.1 | Confident | 97 Ų | 97 | 44.4 Ų | 44.4 | 60% | 0.595 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.7 | -162.4 | 47.3 | 0 | 0 | 0 | 0 | 115 | L538 M612 | L538-T614 WeakPolarHBondContact CD1-OG1 3.4Å; M612-T614 PolarHBondContact O-N 3.44Å |
| 615 | L | 59.5 | Low | 73.8 | Confident | 39 Ų | 39 | 42 Ų | 42 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -120 | 130.2 | 177.3 | -149.3 | 89.7 | 0 | 0 | 0 | 109.9 | L538 E617 N619 L620 | L538-L615 HydrophobicContact CD1-CB 4.45Å; L538-L615 HydrophobicContact CD2-CB 3.75Å; L538-L615 HydrophobicContact CD2-CD2 3.9Å; L538-L615 HydrophobicContact CD2-CG 4.24Å; L615-E617 PolarHBondContact O-N 2.94Å; L615-N619 HydrophobicContact CD1-CB 4.46Å; L615-N619 HydrophobicContact CD2-CB 3.69Å; L615-N619 HydrophobicContact CG-CB 3.91Å; L615-L620 HydrophobicContact CD2-CB 4.06Å |
| 616 | S | 64 | Low | 73.5 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 42% | 0.42 | 25% | 0.249 | S | C | . | . | trans | -60.9 | 132.2 | 169.1 | 60.9 | 0 | 0 | 0 | 0 | 108.4 | I618 N619 | S616-I618 PolarHBondContact O-N 3.41Å; S616-N619 PolarHBondContact O-N 3.49Å; S616-N619 PolarHBondContact OG-ND2 3.17Å | ||
| 617 | E | 68.3 | Low | 73.4 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -44.4 | -31.2 | 173.6 | -68 | 178.8 | -178.4 | 0 | 0 | 112.3 | L615 N619 L620 I621 S664 L669 | L615-E617 PolarHBondContact O-N 2.94Å; E617-N619 PolarHBondContact O-N 3.24Å; E617-L620 PolarHBondContact O-N 2.75Å; E617-I621 WeakPolarHBondContact O-CB 3.37Å; E617-I621 WeakPolarHBondContact O-CG1 3.17Å; E617-I621 PolarHBondContact O-N 2.51Å; E617-S664 WeakPolarHBondContact OE1-CB 3.36Å; E617-S664 PolarHBondContact OE1-OG 3.42Å; E617-S664 PolarHBondContact OE2-OG 2.9Å; E617-L669 HydrophobicContact CB-CD1 4.24Å |
| 618 | I | 70.6 | Confident | 73.4 | Confident | 46 Ų | 46 | 39.7 Ų | 39.7 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.8 | -45 | 173.8 | -58.9 | 175.1 | 0 | 0 | 0 | 113.5 | S616 K622 M668 L669 | S616-I618 PolarHBondContact O-N 3.41Å; I618-K622 HydrophobicContact CG2-CD 4.14Å; I618-K622 HydrophobicContact CG2-CG 4.47Å; I618-K622 WeakPolarHBondContact O-CB 3.23Å; I618-K622 WeakPolarHBondContact O-CG 3.21Å; I618-K622 PolarHBondContact O-N 3.26Å; I618-M668 HydrophobicContact CD1-CE 4.23Å; I618-M668 HydrophobicContact CG2-CE 3.85Å; I618-L669 HydrophobicContact CB-CD2 4.21Å; I618-L669 HydrophobicContact CG1-CD1 4.32Å; I618-L669 HydrophobicContact CG1-CD2 3.77Å; I618-L669 HydrophobicContact CG1-CG 4.13Å |
| 619 | N | 72.6 | Confident | 73.2 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.2 | -37.6 | -178.4 | -68 | -11 | 0 | 0 | 0 | 111.1 | L615 S616 E617 K622 F623 | L615-N619 HydrophobicContact CD1-CB 4.46Å; L615-N619 HydrophobicContact CD2-CB 3.69Å; L615-N619 HydrophobicContact CG-CB 3.91Å; S616-N619 PolarHBondContact O-N 3.49Å; S616-N619 PolarHBondContact OG-ND2 3.17Å; E617-N619 PolarHBondContact O-N 3.24Å; N619-K622 PolarHBondContact O-N 2.96Å; N619-F623 PolarHBondContact O-N 3.06Å |
| 620 | L | 77.2 | Confident | 73 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -50.1 | 173.7 | -177.5 | 65.8 | 0 | 0 | 0 | 110.2 | I541 I602 Y606 I609 L615 E617 K622 F623 I624 I658 | I541-L620 HydrophobicContact CD1-CD1 3.78Å; I602-L620 HydrophobicContact CD1-CD1 3.8Å; I602-L620 HydrophobicContact CG1-CD1 4.25Å; I602-L620 HydrophobicContact CG2-CD1 4.21Å; Y606-L620 HydrophobicContact CE2-CD2 4.23Å; I609-L620 HydrophobicContact CG2-CD2 4.48Å; L615-L620 HydrophobicContact CD2-CB 4.06Å; E617-L620 PolarHBondContact O-N 2.75Å; L620-K622 PolarHBondContact O-N 3.04Å; L620-F623 PolarHBondContact O-N 2.73Å; L620-I624 HydrophobicContact CD1-CD1 4.34Å; L620-I624 HydrophobicContact CG-CD1 3.95Å; L620-I624 WeakPolarHBondContact O-CD1 2.71Å; L620-I624 VanDerWaalsContact O-CG1 3.27Å; L620-I624 WeakPolarHBondContact O-CG1 3.41Å; L620-I624 PolarHBondContact O-N 3.45Å; L620-I658 HydrophobicContact CD2-CD1 4.38Å |
| 621 | I | 76.3 | Confident | 72.9 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.1 | -70.6 | 165.3 | 0 | 0 | 0 | 110.8 | E617 F623 I624 L625 I658 L663 L669 V673 | E617-I621 WeakPolarHBondContact O-CB 3.37Å; E617-I621 WeakPolarHBondContact O-CG1 3.17Å; E617-I621 PolarHBondContact O-N 2.51Å; I621-F623 VanDerWaalsContact C-N 3.34Å; I621-F623 PolarHBondContact O-N 2.66Å; I621-I624 PolarHBondContact O-N 2.92Å; I621-L625 HydrophobicContact CG2-CD1 3.65Å; I621-L625 HydrophobicContact CG2-CG 3.98Å; I621-L625 WeakPolarHBondContact O-CB 3.39Å; I621-L625 WeakPolarHBondContact O-CG 3.45Å; I621-L625 PolarHBondContact O-N 3.17Å; I621-I658 HydrophobicContact CD1-CG2 3.95Å; I621-I658 HydrophobicContact CG1-CD1 4.09Å; I621-I658 HydrophobicContact CG1-CG2 4.2Å; I621-L663 HydrophobicContact CD1-CD2 4.16Å; I621-L669 HydrophobicContact CB-CD2 4Å; I621-L669 HydrophobicContact CD1-CB 4.28Å; I621-L669 HydrophobicContact CD1-CD1 3.78Å; I621-L669 HydrophobicContact CD1-CD2 3.41Å; I621-L669 VanDerWaalsContact CD1-CD2 3.41Å; I621-L669 HydrophobicContact CD1-CG 3.99Å; I621-L669 HydrophobicContact CG1-CD2 4.28Å; I621-L669 HydrophobicContact CG2-CD2 4.07Å; I621-V673 HydrophobicContact CG2-CG2 3.9Å |
| 622 | K | 78.9 | Confident | 72.5 | Confident | 73 Ų | 73 | 35.1 Ų | 35.1 | 32% | 0.317 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 174.2 | -80.9 | 174.1 | 178.5 | 179 | 0 | 112.4 | I618 N619 L620 I624 L625 N626 M672 | I618-K622 HydrophobicContact CG2-CD 4.14Å; I618-K622 HydrophobicContact CG2-CG 4.47Å; I618-K622 WeakPolarHBondContact O-CB 3.23Å; I618-K622 WeakPolarHBondContact O-CG 3.21Å; I618-K622 PolarHBondContact O-N 3.26Å; N619-K622 PolarHBondContact O-N 2.96Å; L620-K622 PolarHBondContact O-N 3.04Å; K622-I624 VanDerWaalsContact C-N 3.34Å; K622-I624 PolarHBondContact O-N 3.43Å; K622-L625 PolarHBondContact O-N 3.44Å; K622-N626 VanDerWaalsContact O-CB 3.23Å; K622-N626 WeakPolarHBondContact O-CB 3.4Å; K622-N626 PolarHBondContact O-N 3.27Å; K622-N626 PolarHBondContact O-ND2 2.93Å; K622-M672 HydrophobicContact CD-CE 4.43Å; K622-M672 HydrophobicContact CG-CE 3.56Å |
| 623 | F | 81.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 177.2 | 172.4 | -100.9 | 0 | 0 | 0 | 111.8 | I541 L544 I548 V598 L599 I602 N619 L620 I621 N626 S627 | I541-F623 HydrophobicContact CG1-CD1 4.16Å; I541-F623 HydrophobicContact CG1-CE1 4.25Å; I541-F623 HydrophobicContact CG1-CG 4.47Å; I541-F623 HydrophobicContact CG2-CB 3.68Å; I541-F623 HydrophobicContact CG2-CD1 4.12Å; I541-F623 HydrophobicContact CG2-CD2 3.98Å; I541-F623 HydrophobicContact CG2-CG 3.64Å; L544-F623 HydrophobicContact CB-CD2 4.46Å; L544-F623 HydrophobicContact CB-CE2 3.7Å; L544-F623 HydrophobicContact CD1-CE2 3.91Å; L544-F623 HydrophobicContact CD1-CZ 3.9Å; I548-F623 HydrophobicContact CD1-CD2 4.16Å; I548-F623 HydrophobicContact CD1-CE2 3.84Å; V598-F623 HydrophobicContact CB-CZ 4.38Å; V598-F623 HydrophobicContact CG1-CE1 3.83Å; V598-F623 HydrophobicContact CG1-CZ 3.97Å; L599-F623 HydrophobicContact CD2-CD1 4.44Å; L599-F623 HydrophobicContact CD2-CE1 4.07Å; L599-F623 HydrophobicContact CG-CE1 4.18Å; I602-F623 HydrophobicContact CD1-CD1 4.17Å; I602-F623 HydrophobicContact CD1-CE1 4.1Å; N619-F623 PolarHBondContact O-N 3.06Å; L620-F623 PolarHBondContact O-N 2.73Å; I621-F623 VanDerWaalsContact C-N 3.34Å; I621-F623 PolarHBondContact O-N 2.66Å; F623-N626 PolarHBondContact O-N 3.32Å; F623-S627 WeakPolarHBondContact O-CB 3.04Å; F623-S627 PolarHBondContact O-N 2.89Å; F623-S627 PolarHBondContact O-OG 3.23Å |
| 624 | I | 79.6 | Confident | 72 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.3 | -44.5 | 179.8 | -61 | 155.7 | 0 | 0 | 0 | 111 | L599 L620 I621 K622 N626 S627 L628 S651 V654 I655 I658 | L599-I624 HydrophobicContact CD2-CB 4.29Å; L599-I624 HydrophobicContact CD2-CG1 3.73Å; L599-I624 HydrophobicContact CD2-CG2 4.16Å; L620-I624 HydrophobicContact CD1-CD1 4.34Å; L620-I624 HydrophobicContact CG-CD1 3.95Å; L620-I624 WeakPolarHBondContact O-CD1 2.71Å; L620-I624 VanDerWaalsContact O-CG1 3.27Å; L620-I624 WeakPolarHBondContact O-CG1 3.41Å; L620-I624 PolarHBondContact O-N 3.45Å; I621-I624 PolarHBondContact O-N 2.92Å; K622-I624 VanDerWaalsContact C-N 3.34Å; K622-I624 PolarHBondContact O-N 3.43Å; I624-N626 VanDerWaalsContact C-N 3.34Å; I624-N626 PolarHBondContact O-N 3.16Å; I624-S627 WeakPolarHBondContact O-CB 3.33Å; I624-S627 PolarHBondContact O-N 3.42Å; I624-L628 PolarHBondContact O-N 3.41Å; I624-S651 WeakPolarHBondContact CG2-O 2.89Å; I624-V654 HydrophobicContact CD1-CB 4.39Å; I624-V654 HydrophobicContact CD1-CG1 3.4Å; I624-V654 VanDerWaalsContact CD1-CG1 3.4Å; I624-V654 HydrophobicContact CG1-CG1 3.97Å; I624-V654 HydrophobicContact CG2-CB 4.47Å; I624-I655 HydrophobicContact CG2-CD1 4.03Å; I624-I655 HydrophobicContact CG2-CG1 3.6Å; I624-I658 HydrophobicContact CD1-CD1 3.22Å |
| 625 | L | 80.1 | Confident | 71.8 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 176.4 | -66.4 | 178.7 | 0 | 0 | 0 | 111.6 | I621 K622 S627 L628 L629 I655 M672 V673 T676 | I621-L625 HydrophobicContact CG2-CD1 3.65Å; I621-L625 HydrophobicContact CG2-CG 3.98Å; I621-L625 WeakPolarHBondContact O-CB 3.39Å; I621-L625 WeakPolarHBondContact O-CG 3.45Å; I621-L625 PolarHBondContact O-N 3.17Å; K622-L625 PolarHBondContact O-N 3.44Å; L625-S627 VanDerWaalsContact C-N 3.33Å; L625-L628 PolarHBondContact O-N 3.38Å; L625-L629 WeakPolarHBondContact O-CB 3.32Å; L625-L629 WeakPolarHBondContact O-CG 3.21Å; L625-L629 PolarHBondContact O-N 2.65Å; L625-I655 HydrophobicContact CD2-CD1 4Å; L625-M672 HydrophobicContact CD1-CB 4.08Å; L625-M672 HydrophobicContact CD1-CE 4.43Å; L625-V673 HydrophobicContact CD1-CG2 4.35Å; L625-V673 HydrophobicContact CD2-CG2 4.37Å; L625-T676 HydrophobicContact CB-CG2 4.17Å; L625-T676 HydrophobicContact CD2-CG2 3.85Å; L625-T676 HydrophobicContact CG-CG2 4.47Å |
| 626 | N | 79.6 | Confident | 71.4 | Confident | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 174.1 | -73.7 | -16.6 | 0 | 0 | 0 | 111.5 | I548 M552 K622 F623 I624 L629 L630 | I548-N626 HydrophobicContact CG2-CB 4Å; M552-N626 HydrophobicContact CE-CB 4.32Å; M552-N626 WeakPolarHBondContact CE-O 3.45Å; K622-N626 VanDerWaalsContact O-CB 3.23Å; K622-N626 WeakPolarHBondContact O-CB 3.4Å; K622-N626 PolarHBondContact O-N 3.27Å; K622-N626 PolarHBondContact O-ND2 2.93Å; F623-N626 PolarHBondContact O-N 3.32Å; I624-N626 VanDerWaalsContact C-N 3.34Å; I624-N626 PolarHBondContact O-N 3.16Å; N626-L629 PolarHBondContact O-N 3.41Å; N626-L630 VanDerWaalsContact O-CB 3.29Å; N626-L630 WeakPolarHBondContact O-CB 3.29Å; N626-L630 PolarHBondContact O-N 2.93Å |
| 627 | S | 80 | Confident | 71.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | F623 I624 L625 L630 S631 | F623-S627 WeakPolarHBondContact O-CB 3.04Å; F623-S627 PolarHBondContact O-N 2.89Å; F623-S627 PolarHBondContact O-OG 3.23Å; I624-S627 WeakPolarHBondContact O-CB 3.33Å; I624-S627 PolarHBondContact O-N 3.42Å; L625-S627 VanDerWaalsContact C-N 3.33Å; S627-L630 WeakPolarHBondContact O-CB 3.3Å; S627-L630 PolarHBondContact O-N 3.32Å; S627-S631 PolarHBondContact O-N 3.44Å; S627-S631 VanDerWaalsContact O-N 3.15Å |
| 628 | L | 77.9 | Confident | 71 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 171.4 | -176 | 66.3 | 0 | 0 | 0 | 111.9 | I624 L625 L630 S631 C648 L652 I655 T676 L677 Y680 | I624-L628 PolarHBondContact O-N 3.41Å; L625-L628 PolarHBondContact O-N 3.38Å; L628-L630 VanDerWaalsContact C-N 3.26Å; L628-L630 PolarHBondContact O-N 3.44Å; L628-S631 PolarHBondContact O-N 3.41Å; L628-S631 PolarHBondContact O-OG 3.19Å; L628-C648 HydrophobicContact CD1-CB 4.41Å; L628-L652 HydrophobicContact CD1-CD2 4.27Å; L628-L652 HydrophobicContact CD1-CG 4.07Å; L628-L652 HydrophobicContact CD2-CD2 4.15Å; L628-I655 HydrophobicContact CD2-CD1 4.1Å; L628-T676 HydrophobicContact CD2-CG2 4.45Å; L628-L677 HydrophobicContact CD2-CD2 3.91Å; L628-Y680 HydrophobicContact CD1-CD2 4.14Å; L628-Y680 HydrophobicContact CD1-CE1 4.4Å; L628-Y680 HydrophobicContact CD1-CE2 3.81Å; L628-Y680 HydrophobicContact CD2-CD2 4.42Å; L628-Y680 HydrophobicContact CG-CD2 3.88Å; L628-Y680 HydrophobicContact CG-CE2 3.97Å; L628-Y680 HydrophobicContact CG-CG 4.44Å; L628-Y680 VanDerWaalsContact O-CE2 3.3Å; L628-Y680 WeakPolarHBondContact O-CE2 3.36Å |
| 629 | L | 75.9 | Confident | 70.8 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -32.8 | 173.4 | -73 | 171.7 | 0 | 0 | 0 | 111.4 | M552 L625 N626 S631 T632 T676 Y679 | M552-L629 HydrophobicContact CE-CB 3.88Å; M552-L629 HydrophobicContact SD-CB 4.35Å; L625-L629 WeakPolarHBondContact O-CB 3.32Å; L625-L629 WeakPolarHBondContact O-CG 3.21Å; L625-L629 PolarHBondContact O-N 2.65Å; N626-L629 PolarHBondContact O-N 3.41Å; L629-S631 VanDerWaalsContact C-N 3.27Å; L629-S631 PolarHBondContact O-N 3.01Å; L629-T632 WeakPolarHBondContact O-CB 3.39Å; L629-T632 WeakPolarHBondContact O-CG2 3.46Å; L629-T632 PolarHBondContact O-N 3.04Å; L629-T632 PolarHBondContact O-OG1 3.39Å; L629-T676 HydrophobicContact CD1-CG2 4.32Å; L629-T676 HydrophobicContact CD2-CG2 4.12Å; L629-T676 HydrophobicContact CG-CG2 3.98Å; L629-Y679 HydrophobicContact CD2-CD1 3.54Å; L629-Y679 HydrophobicContact CD2-CE1 3.79Å |
| 630 | L | 75.2 | Confident | 70.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -31.7 | 175.8 | -168.8 | 68.3 | 0 | 0 | 0 | 111.5 | M552 P587 I591 F592 N626 S627 L628 T632 Y633 L647 | M552-L630 HydrophobicContact CE-CB 3.92Å; M552-L630 HydrophobicContact CE-CD1 4.27Å; P587-L630 HydrophobicContact CB-CD1 4.24Å; P587-L630 HydrophobicContact CG-CD1 3.66Å; I591-L630 HydrophobicContact CG2-CD2 3.8Å; F592-L630 HydrophobicContact CD1-CD1 4.4Å; F592-L630 HydrophobicContact CD1-CD2 3.57Å; F592-L630 HydrophobicContact CD1-CG 3.71Å; F592-L630 HydrophobicContact CE1-CD1 3.8Å; F592-L630 HydrophobicContact CE1-CD2 3.84Å; F592-L630 HydrophobicContact CE1-CG 3.54Å; N626-L630 VanDerWaalsContact O-CB 3.29Å; N626-L630 WeakPolarHBondContact O-CB 3.29Å; N626-L630 PolarHBondContact O-N 2.93Å; S627-L630 WeakPolarHBondContact O-CB 3.3Å; S627-L630 PolarHBondContact O-N 3.32Å; L628-L630 VanDerWaalsContact C-N 3.26Å; L628-L630 PolarHBondContact O-N 3.44Å; L630-T632 PolarHBondContact O-N 3.3Å; L630-Y633 HydrophobicContact CD1-CD2 4.11Å; L630-Y633 HydrophobicContact CD1-CE2 4.06Å; L630-Y633 WeakPolarHBondContact O-CD2 3.33Å; L630-Y633 PolarHBondContact O-N 3.04Å; L630-L647 HydrophobicContact CB-CD2 4.5Å; L630-L647 HydrophobicContact CD2-CD2 4.38Å |
| 631 | S | 71.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -17.1 | 172 | 72.8 | 0 | 0 | 0 | 0 | 113 | S627 L628 L629 Y633 I634 L644 Y680 | S627-S631 PolarHBondContact O-N 3.44Å; S627-S631 VanDerWaalsContact O-N 3.15Å; L628-S631 PolarHBondContact O-N 3.41Å; L628-S631 PolarHBondContact O-OG 3.19Å; L629-S631 VanDerWaalsContact C-N 3.27Å; L629-S631 PolarHBondContact O-N 3.01Å; S631-Y633 PolarHBondContact O-N 3.36Å; S631-Y633 VanDerWaalsContact O-N 3.15Å; S631-I634 WeakPolarHBondContact O-CD1 3.44Å; S631-I634 WeakPolarHBondContact O-CG1 3.48Å; S631-I634 PolarHBondContact O-N 3.11Å; S631-L644 WeakPolarHBondContact CB-O 3.27Å; S631-Y680 WeakPolarHBondContact OG-CE2 3.42Å; S631-Y680 PolarHBondContact OG-OH 2.7Å |
| 632 | T | 66.9 | Low | 70.3 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 20% | 0.202 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -68.7 | -12.4 | 176.9 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | L629 L630 I634 Y680 T684 | L629-T632 WeakPolarHBondContact O-CB 3.39Å; L629-T632 WeakPolarHBondContact O-CG2 3.46Å; L629-T632 PolarHBondContact O-N 3.04Å; L629-T632 PolarHBondContact O-OG1 3.39Å; L630-T632 PolarHBondContact O-N 3.3Å; T632-I634 PolarHBondContact O-N 3.03Å; T632-Y680 HydrophobicContact CG2-CD2 3.47Å; T632-Y680 VanDerWaalsContact CG2-CD2 3.47Å; T632-Y680 HydrophobicContact CG2-CE2 3.43Å; T632-Y680 VanDerWaalsContact CG2-CE2 3.43Å; T632-T684 HydrophobicContact CG2-CG2 3.53Å |
| 633 | Y | 64.8 | Low | 70.1 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -66.3 | -1.8 | 172.4 | -77.8 | -94.7 | 0 | 0 | 0 | 114 | D555 P587 L630 S631 T635 T636 | D555-Y633 PolarHBondContact OD2-OH 2.93Å; P587-Y633 HydrophobicContact CG-CE2 4.47Å; L630-Y633 HydrophobicContact CD1-CD2 4.11Å; L630-Y633 HydrophobicContact CD1-CE2 4.06Å; L630-Y633 WeakPolarHBondContact O-CD2 3.33Å; L630-Y633 PolarHBondContact O-N 3.04Å; S631-Y633 PolarHBondContact O-N 3.36Å; S631-Y633 VanDerWaalsContact O-N 3.15Å; Y633-T635 PolarHBondContact O-N 3.48Å; Y633-T636 PolarHBondContact O-N 3.39Å; Y633-T636 PolarHBondContact O-OG1 3.28Å |
| 634 | I | 56.1 | Low | 69.8 | Low | 21 Ų | 21 | 42.3 Ų | 42.3 | 11% | 0.108 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -39.8 | -30.4 | 171.5 | -77.9 | 156.3 | 0 | 0 | 0 | 113.2 | S631 T632 T636 L644 L686 | S631-I634 WeakPolarHBondContact O-CD1 3.44Å; S631-I634 WeakPolarHBondContact O-CG1 3.48Å; S631-I634 PolarHBondContact O-N 3.11Å; T632-I634 PolarHBondContact O-N 3.03Å; I634-T636 VanDerWaalsContact C-N 3.27Å; I634-T636 PolarHBondContact O-N 3.48Å; I634-L644 HydrophobicContact CG1-CB 3.85Å; I634-L644 HydrophobicContact CG1-CD1 4.04Å; I634-L686 HydrophobicContact CG2-CB 3.96Å; I634-L686 HydrophobicContact CG2-CD1 4.24Å |
| 635 | T | 51 | Low | 69.6 | Low | 102 Ų | 102 | 43.7 Ų | 43.7 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -70.8 | -9.6 | -172.5 | 58.5 | 0 | 0 | 0 | 0 | 116.2 | Y633 | Y633-T635 PolarHBondContact O-N 3.48Š|
| 636 | T | 52.5 | Low | 69.5 | Low | 102 Ų | 102 | 47.5 Ų | 47.5 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -115.7 | -18.6 | -169 | 58.8 | 0 | 0 | 0 | 0 | 116.3 | Y633 I634 | Y633-T636 PolarHBondContact O-N 3.39Å; Y633-T636 PolarHBondContact O-OG1 3.28Å; I634-T636 VanDerWaalsContact C-N 3.27Å; I634-T636 PolarHBondContact O-N 3.48Å |
| 637 | N | 58.9 | Low | 69.7 | Low | 62 Ų | 62 | 45.7 Ų | 45.7 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | trans | -149.7 | 105.9 | -175.2 | -157.8 | -21.1 | 0 | 0 | 0 | 112.8 | N639 Y640 | N637-N639 PolarHBondContact O-N 2.87Å; N637-N639 VanDerWaalsContact O-N 3.16Å; N637-N639 WeakPolarHBondContact OD1-CB 3.39Å; N637-N639 PolarHBondContact OD1-N 2.66Å; N637-Y640 HydrophobicContact CB-CD2 3.87Å; N637-Y640 HydrophobicContact CB-CE2 4.22Å; N637-Y640 VanDerWaalsContact ND2-CE2 3.27Å; N637-Y640 WeakPolarHBondContact ND2-CE2 3.37Å; N637-Y640 PolarHBondContact O-N 3.14Å | ||
| 638 | E | 63.1 | Low | 69.7 | Low | 169 Ų | 169 | 45.8 Ų | 45.8 | 79% | 0.79 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -58.9 | -25.3 | -179.9 | -66.2 | -177.2 | 167 | 0 | 0 | 112.6 | Y640 Q641 | E638-Y640 VanDerWaalsContact C-N 3.26Å; E638-Y640 PolarHBondContact O-N 3.48Å; E638-Q641 WeakPolarHBondContact O-CB 3.21Å; E638-Q641 PolarHBondContact O-N 3.26Å |
| 639 | N | 67.2 | Low | 69.8 | Low | 78 Ų | 78 | 48.7 Ų | 48.7 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -64.6 | -25.2 | -176.7 | -67.2 | -12.7 | 0 | 0 | 0 | 114.2 | Y440 N637 | Y440-N639 VanDerWaalsContact CD1-O 3.23Å; Y440-N639 WeakPolarHBondContact CD1-O 3.32Å; N637-N639 PolarHBondContact O-N 2.87Å; N637-N639 VanDerWaalsContact O-N 3.16Å; N637-N639 WeakPolarHBondContact OD1-CB 3.39Å; N637-N639 PolarHBondContact OD1-N 2.66Å |
| 640 | Y | 71 | Confident | 70.2 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -106.4 | 9.1 | -176.9 | -54.1 | -66.9 | 0 | 0 | 0 | 113.4 | N437 Y440 P589 N637 E638 N642 D643 L644 | N437-Y640 PolarHBondContact OD1-OH 2.91Å; Y440-Y640 HydrophobicContact CD1-CD1 4.33Å; Y440-Y640 AromaticContact CD2-CD1 3.72Å; Y440-Y640 HydrophobicContact CD2-CD1 3.72Å; Y440-Y640 AromaticContact CD2-CE1 3.25Å; Y440-Y640 HydrophobicContact CD2-CE1 3.25Å; Y440-Y640 HydrophobicContact CE1-CD1 4.17Å; Y440-Y640 AromaticContact CE2-CD1 3.58Å; Y440-Y640 HydrophobicContact CE2-CD1 3.58Å; Y440-Y640 AromaticContact CE2-CE1 3.37Å; Y440-Y640 HydrophobicContact CE2-CE1 3.37Å; Y440-Y640 HydrophobicContact CG-CD1 4.12Å; Y440-Y640 AromaticContact CG-CE1 3.94Å; Y440-Y640 HydrophobicContact CG-CE1 3.94Å; Y440-Y640 AromaticContact CZ-CD1 3.8Å; P589-Y640 HydrophobicContact CB-CD1 4.04Å; P589-Y640 HydrophobicContact CB-CE1 3.35Å; P589-Y640 HydrophobicContact CG-CE1 4.06Å; N637-Y640 HydrophobicContact CB-CD2 3.87Å; N637-Y640 HydrophobicContact CB-CE2 4.22Å; N637-Y640 VanDerWaalsContact ND2-CE2 3.27Å; N637-Y640 WeakPolarHBondContact ND2-CE2 3.37Å; N637-Y640 PolarHBondContact O-N 3.14Å; E638-Y640 VanDerWaalsContact C-N 3.26Å; E638-Y640 PolarHBondContact O-N 3.48Å; Y640-N642 VanDerWaalsContact C-N 3.31Å; Y640-N642 PolarHBondContact O-N 3.04Å; Y640-D643 PolarHBondContact O-N 2.93Å; Y640-L644 WeakPolarHBondContact O-CG 3.31Å; Y640-L644 PolarHBondContact O-N 3.44Å |
| 641 | Q | 71 | Confident | 70.6 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.4 | -41.2 | -168.4 | -175.2 | 175.9 | -22.4 | 0 | 0 | 112.8 | E638 L644 I645 | E638-Q641 WeakPolarHBondContact O-CB 3.21Å; E638-Q641 PolarHBondContact O-N 3.26Å; Q641-L644 PolarHBondContact O-N 3.49Å; Q641-I645 HydrophobicContact CG-CD1 3.88Å; Q641-I645 VanDerWaalsContact O-CG1 3.23Å; Q641-I645 WeakPolarHBondContact O-CG1 3.4Å; Q641-I645 PolarHBondContact O-N 2.94Å |
| 642 | N | 74.7 | Confident | 71.2 | Confident | 95 Ų | 95 | 47.6 Ų | 47.6 | 51% | 0.508 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.7 | -47.7 | -179.3 | -69.1 | -11 | 0 | 0 | 0 | 112.1 | Y640 L644 I645 E646 | Y640-N642 VanDerWaalsContact C-N 3.31Å; Y640-N642 PolarHBondContact O-N 3.04Å; N642-L644 VanDerWaalsContact C-N 3.29Å; N642-L644 PolarHBondContact O-N 2.9Å; N642-I645 PolarHBondContact O-N 3.37Å; N642-E646 WeakPolarHBondContact O-CG 3.35Å; N642-E646 PolarHBondContact O-N 2.94Å |
| 643 | D | 74.7 | Confident | 72 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 179.1 | -67.2 | -63.4 | 0 | 0 | 0 | 112.2 | Y440 Y640 L647 | Y440-D643 WeakPolarHBondContact CE1-OD2 3.41Å; Y440-D643 PolarHBondContact OH-OD2 3.15Å; Y640-D643 PolarHBondContact O-N 2.93Å; D643-L647 VanDerWaalsContact O-CB 3.27Å; D643-L647 WeakPolarHBondContact O-CB 3.48Å; D643-L647 PolarHBondContact O-N 3.43Å |
| 644 | L | 74.8 | Confident | 72.9 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72 | -36.2 | 176.2 | -67.5 | 172.2 | 0 | 0 | 0 | 112.5 | F592 S631 I634 Y640 Q641 N642 L647 C648 | F592-L644 HydrophobicContact CB-CD2 4.41Å; F592-L644 HydrophobicContact CD1-CD2 3.64Å; F592-L644 HydrophobicContact CD2-CD2 4.17Å; F592-L644 HydrophobicContact CE1-CD2 3.85Å; F592-L644 HydrophobicContact CE2-CD2 4.36Å; F592-L644 HydrophobicContact CG-CD2 3.83Å; F592-L644 HydrophobicContact CZ-CD2 4.22Å; S631-L644 WeakPolarHBondContact CB-O 3.27Å; I634-L644 HydrophobicContact CG1-CB 3.85Å; I634-L644 HydrophobicContact CG1-CD1 4.04Å; Y640-L644 WeakPolarHBondContact O-CG 3.31Å; Y640-L644 PolarHBondContact O-N 3.44Å; Q641-L644 PolarHBondContact O-N 3.49Å; N642-L644 VanDerWaalsContact C-N 3.29Å; N642-L644 PolarHBondContact O-N 2.9Å; L644-L647 PolarHBondContact O-N 3.34Å; L644-C648 WeakPolarHBondContact O-CB 3.42Å; L644-C648 PolarHBondContact O-N 3.33Å |
| 645 | I | 75.5 | Confident | 74.1 | Confident | 31 Ų | 31 | 44 Ų | 44 | 16% | 0.159 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 173.1 | -70.9 | 166.8 | 0 | 0 | 0 | 110 | Q641 N642 C648 H649 D688 | Q641-I645 HydrophobicContact CG-CD1 3.88Å; Q641-I645 VanDerWaalsContact O-CG1 3.23Å; Q641-I645 WeakPolarHBondContact O-CG1 3.4Å; Q641-I645 PolarHBondContact O-N 2.94Å; N642-I645 PolarHBondContact O-N 3.37Å; I645-C648 WeakPolarHBondContact O-CB 3.36Å; I645-C648 PolarHBondContact O-N 3.15Å; I645-H649 WeakPolarHBondContact O-CB 3.39Å; I645-H649 PolarHBondContact O-N 3.43Å; I645-D688 HydrophobicContact CG2-CB 4.15Å |
| 646 | E | 78.4 | Confident | 75.6 | Confident | 84 Ų | 84 | 41 Ų | 41 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.1 | -40 | 176.3 | -72.1 | -179.9 | 160.8 | 0 | 0 | 112 | K596 N642 C648 H649 I650 | K596-E646 HydrophobicContact CD-CB 4.31Å; K596-E646 WeakPolarHBondContact CE-OE2 3.44Å; K596-E646 IonicContact NZ-OE2 2.69Å; K596-E646 PolarHBondContact NZ-OE2 3.25Å; N642-E646 WeakPolarHBondContact O-CG 3.35Å; N642-E646 PolarHBondContact O-N 2.94Å; E646-C648 VanDerWaalsContact C-N 3.32Å; E646-C648 PolarHBondContact O-N 3Å; E646-H649 PolarHBondContact O-N 3.03Å; E646-I650 WeakPolarHBondContact O-CD1 3.34Å; E646-I650 WeakPolarHBondContact O-CG1 3.26Å; E646-I650 PolarHBondContact O-N 2.71Å |
| 647 | L | 82.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 173.3 | -179.5 | 65.7 | 0 | 0 | 0 | 111.3 | F592 C595 K596 L599 L630 D643 L644 S651 | F592-L647 HydrophobicContact CB-CD2 4.49Å; F592-L647 HydrophobicContact CD1-CD2 4.33Å; C595-L647 HydrophobicContact CB-CD1 3.71Å; K596-L647 HydrophobicContact CB-CD1 4.16Å; L599-L647 HydrophobicContact CD1-CD1 3.65Å; L630-L647 HydrophobicContact CB-CD2 4.5Å; L630-L647 HydrophobicContact CD2-CD2 4.38Å; D643-L647 VanDerWaalsContact O-CB 3.27Å; D643-L647 WeakPolarHBondContact O-CB 3.48Å; D643-L647 PolarHBondContact O-N 3.43Å; L644-L647 PolarHBondContact O-N 3.34Å; L647-S651 WeakPolarHBondContact O-CB 3.33Å; L647-S651 PolarHBondContact O-N 3.48Å; L647-S651 PolarHBondContact O-OG 3.23Å |
| 648 | C | 80.1 | Confident | 77.6 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 111 | L628 L644 I645 E646 S651 L652 Y680 | L628-C648 HydrophobicContact CD1-CB 4.41Å; L644-C648 WeakPolarHBondContact O-CB 3.42Å; L644-C648 PolarHBondContact O-N 3.33Å; I645-C648 WeakPolarHBondContact O-CB 3.36Å; I645-C648 PolarHBondContact O-N 3.15Å; E646-C648 VanDerWaalsContact C-N 3.32Å; E646-C648 PolarHBondContact O-N 3Å; C648-S651 PolarHBondContact O-N 3.22Å; C648-L652 WeakPolarHBondContact O-CB 3.37Å; C648-L652 VanDerWaalsContact O-CG 3.24Å; C648-L652 WeakPolarHBondContact O-CG 3.21Å; C648-L652 PolarHBondContact O-N 3.19Å; C648-Y680 PolarHBondContact SG-OH 3.08Å |
| 649 | H | 81.4 | Confident | 78.2 | Confident | 61 Ų | 61 | 28 Ų | 28 | 28% | 0.282 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.9 | -51.8 | -178.2 | -174.5 | 64.9 | 0 | 0 | 0 | 112 | I645 E646 S651 L652 C653 | I645-H649 WeakPolarHBondContact O-CB 3.39Å; I645-H649 PolarHBondContact O-N 3.43Å; E646-H649 PolarHBondContact O-N 3.03Å; H649-S651 PolarHBondContact O-N 3.05Å; H649-L652 WeakPolarHBondContact O-CB 3.36Å; H649-L652 PolarHBondContact O-N 3.07Å; H649-C653 PolarHBondContact O-N 3.44Å; H649-C653 PolarHBondContact O-SG 3.42Å; H649-C653 VanDerWaalsContact O-SG 3.34Å |
| 650 | I | 83.8 | Confident | 78.5 | Confident | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | -179.4 | -61.4 | 157.4 | 0 | 0 | 0 | 110.4 | K596 L599 L600 E646 L652 C653 V654 | K596-I650 HydrophobicContact CD-CD1 4.32Å; K596-I650 HydrophobicContact CG-CD1 3.55Å; L599-I650 HydrophobicContact CB-CG2 3.53Å; L600-I650 HydrophobicContact CD1-CD1 4.12Å; L600-I650 HydrophobicContact CD2-CD1 3.71Å; L600-I650 HydrophobicContact CD2-CG1 4.02Å; L600-I650 HydrophobicContact CD2-CG2 4.13Å; L600-I650 HydrophobicContact CG-CD1 3.77Å; L600-I650 HydrophobicContact CG-CG1 4.44Å; L600-I650 HydrophobicContact CG-CG2 4.17Å; E646-I650 WeakPolarHBondContact O-CD1 3.34Å; E646-I650 WeakPolarHBondContact O-CG1 3.26Å; E646-I650 PolarHBondContact O-N 2.71Å; I650-L652 VanDerWaalsContact C-N 3.26Å; I650-L652 PolarHBondContact O-N 3.13Å; I650-C653 PolarHBondContact O-N 3.31Å; I650-C653 VanDerWaalsContact O-N 3.14Å; I650-V654 HydrophobicContact CG2-CG2 4.4Å; I650-V654 WeakPolarHBondContact O-CG2 3.27Å; I650-V654 PolarHBondContact O-N 3.47Å |
| 651 | S | 83.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.9 | -43.3 | 174.1 | -62 | 0 | 0 | 0 | 0 | 111.4 | L599 I624 L647 C648 H649 I655 | L599-S651 WeakPolarHBondContact CD1-OG 3.12Å; I624-S651 WeakPolarHBondContact CG2-O 2.89Å; L647-S651 WeakPolarHBondContact O-CB 3.33Å; L647-S651 PolarHBondContact O-N 3.48Å; L647-S651 PolarHBondContact O-OG 3.23Å; C648-S651 PolarHBondContact O-N 3.22Å; H649-S651 PolarHBondContact O-N 3.05Å; S651-I655 VanDerWaalsContact O-CG1 3.27Å; S651-I655 WeakPolarHBondContact O-CG1 3.33Å; S651-I655 PolarHBondContact O-N 3.41Å |
| 652 | L | 83.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -35.1 | 177.5 | -69.9 | 167.5 | 0 | 0 | 0 | 112.4 | L628 C648 H649 I650 I655 Q656 L677 S691 L694 I695 | L628-L652 HydrophobicContact CD1-CD2 4.27Å; L628-L652 HydrophobicContact CD1-CG 4.07Å; L628-L652 HydrophobicContact CD2-CD2 4.15Å; C648-L652 WeakPolarHBondContact O-CB 3.37Å; C648-L652 VanDerWaalsContact O-CG 3.24Å; C648-L652 WeakPolarHBondContact O-CG 3.21Å; C648-L652 PolarHBondContact O-N 3.19Å; H649-L652 WeakPolarHBondContact O-CB 3.36Å; H649-L652 PolarHBondContact O-N 3.07Å; I650-L652 VanDerWaalsContact C-N 3.26Å; I650-L652 PolarHBondContact O-N 3.13Å; L652-I655 HydrophobicContact CD2-CD1 4.47Å; L652-I655 PolarHBondContact O-N 3.4Å; L652-Q656 WeakPolarHBondContact O-CB 3.32Å; L652-Q656 PolarHBondContact O-N 3.43Å; L652-L677 HydrophobicContact CD2-CD2 3.76Å; L652-S691 WeakPolarHBondContact CD1-O 3.44Å; L652-L694 HydrophobicContact CB-CB 4.36Å; L652-L694 HydrophobicContact CB-CD2 3.38Å; L652-L694 HydrophobicContact CB-CG 3.73Å; L652-L694 HydrophobicContact CD1-CB 4.49Å; L652-I695 HydrophobicContact CD1-CD1 4.09Å; L652-I695 HydrophobicContact CD1-CG1 3.62Å; L652-I695 HydrophobicContact CD2-CG1 3.55Å; L652-I695 HydrophobicContact CG-CG1 4.25Å |
| 653 | C | 83.9 | Confident | 77 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 10% | 0.101 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 174.1 | -71.2 | 0 | 0 | 0 | 0 | 110.6 | H649 I650 I655 Q656 I657 L694 | H649-C653 PolarHBondContact O-N 3.44Å; H649-C653 PolarHBondContact O-SG 3.42Å; H649-C653 VanDerWaalsContact O-SG 3.34Å; I650-C653 PolarHBondContact O-N 3.31Å; I650-C653 VanDerWaalsContact O-N 3.14Å; C653-I655 VanDerWaalsContact C-N 3.34Å; C653-I655 PolarHBondContact O-N 3.16Å; C653-Q656 VanDerWaalsContact O-CB 3.3Å; C653-Q656 WeakPolarHBondContact O-CB 3.42Å; C653-Q656 PolarHBondContact O-N 3.21Å; C653-Q656 VanDerWaalsContact O-N 3.11Å; C653-I657 WeakPolarHBondContact O-CG1 3.46Å; C653-I657 PolarHBondContact O-N 2.87Å; C653-L694 HydrophobicContact CB-CD2 4.45Å; C653-L694 VanDerWaalsContact SG-CD2 3.55Å |
| 654 | V | 83 | Confident | 75.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 111 | L599 I602 E603 I624 I650 Q656 I657 I658 | L599-V654 HydrophobicContact CB-CG2 4.29Å; L599-V654 HydrophobicContact CD2-CB 4.45Å; L599-V654 HydrophobicContact CD2-CG2 4.16Å; L599-V654 WeakPolarHBondContact O-CG2 3.22Å; I602-V654 HydrophobicContact CB-CG1 4.35Å; I602-V654 HydrophobicContact CG2-CG1 3.56Å; I602-V654 HydrophobicContact CG2-CG2 4.5Å; E603-V654 HydrophobicContact CB-CG2 3.94Å; I624-V654 HydrophobicContact CD1-CB 4.39Å; I624-V654 HydrophobicContact CD1-CG1 3.4Å; I624-V654 VanDerWaalsContact CD1-CG1 3.4Å; I624-V654 HydrophobicContact CG1-CG1 3.97Å; I624-V654 HydrophobicContact CG2-CB 4.47Å; I650-V654 HydrophobicContact CG2-CG2 4.4Å; I650-V654 WeakPolarHBondContact O-CG2 3.27Å; I650-V654 PolarHBondContact O-N 3.47Å; V654-Q656 VanDerWaalsContact C-N 3.31Å; V654-Q656 PolarHBondContact O-N 2.85Å; V654-I657 PolarHBondContact O-N 2.84Å; V654-I658 HydrophobicContact CG1-CD1 4.03Å; V654-I658 WeakPolarHBondContact O-CG1 3.36Å; V654-I658 PolarHBondContact O-N 3.45Å |
| 655 | I | 82.4 | Confident | 74.7 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | 172.5 | -71.2 | 166.8 | 0 | 0 | 0 | 110.8 | I624 L625 L628 S651 L652 C653 I657 I658 L659 V673 C698 | I624-I655 HydrophobicContact CG2-CD1 4.03Å; I624-I655 HydrophobicContact CG2-CG1 3.6Å; L625-I655 HydrophobicContact CD2-CD1 4Å; L628-I655 HydrophobicContact CD2-CD1 4.1Å; S651-I655 VanDerWaalsContact O-CG1 3.27Å; S651-I655 WeakPolarHBondContact O-CG1 3.33Å; S651-I655 PolarHBondContact O-N 3.41Å; L652-I655 HydrophobicContact CD2-CD1 4.47Å; L652-I655 PolarHBondContact O-N 3.4Å; C653-I655 VanDerWaalsContact C-N 3.34Å; C653-I655 PolarHBondContact O-N 3.16Å; I655-I657 PolarHBondContact O-N 2.87Å; I655-I658 PolarHBondContact O-N 2.82Å; I655-L659 HydrophobicContact CG2-CD1 3.59Å; I655-L659 HydrophobicContact CG2-CG 4.23Å; I655-L659 WeakPolarHBondContact O-CB 3.41Å; I655-L659 VanDerWaalsContact O-CG 3.27Å; I655-L659 WeakPolarHBondContact O-CG 3.34Å; I655-L659 PolarHBondContact O-N 3.46Å; I655-V673 HydrophobicContact CG2-CG1 4.01Å; I655-C698 HydrophobicContact CG2-CB 4.45Å |
| 656 | Q | 82.2 | Confident | 73.9 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 178 | -171.5 | -164.9 | 7.4 | 0 | 0 | 111.6 | L652 C653 V654 I658 L659 K660 L694 Y697 M701 | L652-Q656 WeakPolarHBondContact O-CB 3.32Å; L652-Q656 PolarHBondContact O-N 3.43Å; C653-Q656 VanDerWaalsContact O-CB 3.3Å; C653-Q656 WeakPolarHBondContact O-CB 3.42Å; C653-Q656 PolarHBondContact O-N 3.21Å; C653-Q656 VanDerWaalsContact O-N 3.11Å; V654-Q656 VanDerWaalsContact C-N 3.31Å; V654-Q656 PolarHBondContact O-N 2.85Å; Q656-I658 VanDerWaalsContact C-N 3.35Å; Q656-L659 PolarHBondContact O-N 3.2Å; Q656-K660 WeakPolarHBondContact O-CG 3.4Å; Q656-K660 PolarHBondContact O-N 2.69Å; Q656-L694 HydrophobicContact CB-CD1 4.17Å; Q656-L694 HydrophobicContact CG-CD1 4.22Å; Q656-Y697 HydrophobicContact CG-CD1 3.76Å; Q656-Y697 HydrophobicContact CG-CE1 3.54Å; Q656-M701 HydrophobicContact CB-CE 4.26Å; Q656-M701 HydrophobicContact CG-CE 3.76Å |
| 657 | I | 77.8 | Confident | 73.2 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 177.9 | -67.5 | 167.5 | 0 | 0 | 0 | 110.7 | E603 Y606 C653 V654 I655 K660 S661 | E603-I657 HydrophobicContact CB-CD1 4.16Å; E603-I657 HydrophobicContact CG-CD1 3.71Å; Y606-I657 HydrophobicContact CD1-CG2 3.22Å; Y606-I657 HydrophobicContact CD2-CG2 4.24Å; Y606-I657 HydrophobicContact CE1-CG2 3.62Å; Y606-I657 HydrophobicContact CG-CG2 3.55Å; C653-I657 WeakPolarHBondContact O-CG1 3.46Å; C653-I657 PolarHBondContact O-N 2.87Å; V654-I657 PolarHBondContact O-N 2.84Å; I655-I657 PolarHBondContact O-N 2.87Å; I657-K660 PolarHBondContact O-N 3Å; I657-S661 PolarHBondContact O-N 3.33Å |
| 658 | I | 75.7 | Confident | 72.5 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.1 | -69.2 | 167.3 | 0 | 0 | 0 | 111.9 | Y606 L620 I621 I624 V654 I655 Q656 K660 S661 | Y606-I658 HydrophobicContact CD2-CG1 4.33Å; Y606-I658 HydrophobicContact CE2-CD1 4.26Å; Y606-I658 HydrophobicContact CE2-CG1 3.4Å; Y606-I658 WeakPolarHBondContact OH-CA 3.31Å; Y606-I658 WeakPolarHBondContact OH-CG1 3.47Å; L620-I658 HydrophobicContact CD2-CD1 4.38Å; I621-I658 HydrophobicContact CD1-CG2 3.95Å; I621-I658 HydrophobicContact CG1-CD1 4.09Å; I621-I658 HydrophobicContact CG1-CG2 4.2Å; I624-I658 HydrophobicContact CD1-CD1 3.22Å; V654-I658 HydrophobicContact CG1-CD1 4.03Å; V654-I658 WeakPolarHBondContact O-CG1 3.36Å; V654-I658 PolarHBondContact O-N 3.45Å; I655-I658 PolarHBondContact O-N 2.82Å; Q656-I658 VanDerWaalsContact C-N 3.35Å; I658-K660 VanDerWaalsContact C-N 3.32Å; I658-K660 PolarHBondContact O-N 3.48Å; I658-S661 PolarHBondContact O-N 3.49Å; I658-S661 PolarHBondContact O-OG 3.31Å |
| 659 | L | 75.1 | Confident | 72.1 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 178.1 | -73.3 | 167 | 0 | 0 | 0 | 111.3 | I655 Q656 L663 C698 M701 L702 I705 | I655-L659 HydrophobicContact CG2-CD1 3.59Å; I655-L659 HydrophobicContact CG2-CG 4.23Å; I655-L659 WeakPolarHBondContact O-CB 3.41Å; I655-L659 VanDerWaalsContact O-CG 3.27Å; I655-L659 WeakPolarHBondContact O-CG 3.34Å; I655-L659 PolarHBondContact O-N 3.46Å; Q656-L659 PolarHBondContact O-N 3.2Å; L659-L663 HydrophobicContact CD2-CD1 3.44Å; L659-L663 VanDerWaalsContact CD2-CD1 3.44Å; L659-C698 HydrophobicContact CD1-CB 3.85Å; L659-M701 HydrophobicContact CB-CB 4.22Å; L659-M701 HydrophobicContact CB-CE 3.6Å; L659-M701 HydrophobicContact CB-SD 3.63Å; L659-M701 HydrophobicContact CD1-CB 4.36Å; L659-M701 HydrophobicContact CD1-CE 3.62Å; L659-M701 HydrophobicContact CG-CE 4.23Å; L659-L702 HydrophobicContact CD1-CG 4.37Å; L659-L702 HydrophobicContact CD2-CD2 3.67Å; L659-L702 HydrophobicContact CD2-CG 4.08Å; L659-I705 HydrophobicContact CD2-CD1 3.96Å |
| 660 | K | 73 | Confident | 71.6 | Confident | 100 Ų | 100 | 39.7 Ų | 39.7 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 176.3 | -79.3 | -176.7 | 176.1 | 177.6 | 0 | 113.5 | Q656 I657 I658 K662 Y697 M701 | Q656-K660 WeakPolarHBondContact O-CG 3.4Å; Q656-K660 PolarHBondContact O-N 2.69Å; I657-K660 PolarHBondContact O-N 3Å; I658-K660 VanDerWaalsContact C-N 3.32Å; I658-K660 PolarHBondContact O-N 3.48Å; K660-K662 PolarHBondContact O-N 3.16Å; K660-Y697 WeakPolarHBondContact CE-OH 3.34Å; K660-Y697 PolarHBondContact NZ-OH 2.89Å; K660-M701 HydrophobicContact CG-SD 3.99Å |
| 661 | S | 67.4 | Low | 71.2 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 12.2 | -176.4 | 71.9 | 0 | 0 | 0 | 0 | 115 | Y606 I657 I658 | Y606-S661 WeakPolarHBondContact CE1-OG 3.32Å; Y606-S661 PolarHBondContact OH-OG 2.86Å; I657-S661 PolarHBondContact O-N 3.33Å; I658-S661 PolarHBondContact O-N 3.49Å; I658-S661 PolarHBondContact O-OG 3.31Å |
| 662 | K | 60.8 | Low | 70.8 | Confident | 131 Ų | 131 | 43.8 Ų | 43.8 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | trans | 60.1 | 102 | -169.8 | -60.9 | 173.7 | -177.6 | 167.4 | 0 | 111.2 | K660 S664 | K660-K662 PolarHBondContact O-N 3.16Å; K662-S664 PolarHBondContact O-N 2.75Å | ||
| 663 | L | 56.7 | Low | 70.5 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | trans | -43 | 110.7 | 162 | -90.3 | 142.8 | 0 | 0 | 0 | 109.5 | I621 L659 S665 L669 V670 I705 | I621-L663 HydrophobicContact CD1-CD2 4.16Å; L659-L663 HydrophobicContact CD2-CD1 3.44Å; L659-L663 VanDerWaalsContact CD2-CD1 3.44Å; L663-S665 PolarHBondContact O-N 3.12Å; L663-L669 HydrophobicContact CD2-CB 3.38Å; L663-L669 HydrophobicContact CD2-CD1 3.83Å; L663-L669 HydrophobicContact CD2-CG 4.21Å; L663-V670 HydrophobicContact CD1-CG2 4.01Å; L663-I705 HydrophobicContact CD1-CD1 4.05Å | ||
| 664 | S | 51.8 | Low | 70.2 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | trans | -73.2 | 96.9 | -176.8 | 76.4 | 0 | 0 | 0 | 0 | 108.3 | E617 K662 S666 | E617-S664 WeakPolarHBondContact OE1-CB 3.36Å; E617-S664 PolarHBondContact OE1-OG 3.42Å; E617-S664 PolarHBondContact OE2-OG 2.9Å; K662-S664 PolarHBondContact O-N 2.75Å; S664-S666 PolarHBondContact O-N 3Å | ||
| 665 | S | 50.8 | Low | 69.9 | Low | 111 Ų | 111 | 48.1 Ų | 48.1 | 78% | 0.776 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 58.6 | -5.6 | 156.2 | 61.6 | 0 | 0 | 0 | 0 | 120.4 | L663 N667 | L663-S665 PolarHBondContact O-N 3.12Å; S665-N667 PolarHBondContact O-N 2.91Å |
| 666 | S | 58.5 | Low | 69.6 | Low | 32 Ų | 32 | 48.7 Ų | 48.7 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | trans | -94.9 | 108.4 | -176 | 130.6 | 0 | 0 | 0 | 0 | 111 | S664 M668 L669 | S664-S666 PolarHBondContact O-N 3Å; S666-M668 PolarHBondContact O-N 3.14Å; S666-M668 VanDerWaalsContact O-N 3.15Å; S666-L669 PolarHBondContact O-N 3.33Å; S666-L669 WeakPolarHBondContact OG-CD1 3.21Å; S666-L669 VanDerWaalsContact OG-CG 3.24Å; S666-L669 WeakPolarHBondContact OG-CG 3.49Å | ||
| 667 | N | 62.2 | Low | 69.4 | Low | 98 Ų | 98 | 47 Ų | 47 | 52% | 0.524 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.2 | -34.5 | 174.5 | -71.7 | -20 | 0 | 0 | 0 | 111.7 | S665 L669 K711 | S665-N667 PolarHBondContact O-N 2.91Å; N667-L669 VanDerWaalsContact C-N 3.28Å; N667-L669 PolarHBondContact O-N 2.89Å; N667-K711 PolarHBondContact O-NZ 3.19Å |
| 668 | M | 69.6 | Low | 69.2 | Low | 97 Ų | 97 | 46.1 Ų | 46.1 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -35.3 | -177.3 | -165.2 | 177.5 | 110.2 | 0 | 0 | 113 | I618 S666 D671 M672 | I618-M668 HydrophobicContact CD1-CE 4.23Å; I618-M668 HydrophobicContact CG2-CE 3.85Å; S666-M668 PolarHBondContact O-N 3.14Å; S666-M668 VanDerWaalsContact O-N 3.15Å; M668-D671 PolarHBondContact O-N 3.28Å; M668-M672 HydrophobicContact CE-SD 3.47Å; M668-M672 WeakPolarHBondContact CE-SD 3.47Å; M668-M672 HydrophobicContact CG-CG 4.49Å; M668-M672 HydrophobicContact CG-SD 4.09Å; M668-M672 VanDerWaalsContact O-CG 3.26Å; M668-M672 WeakPolarHBondContact O-CG 3.31Å; M668-M672 PolarHBondContact O-N 3.17Å |
| 669 | L | 70 | Confident | 69.1 | Low | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.8 | -43 | -174.6 | -72.8 | 170.3 | 0 | 0 | 0 | 113 | E617 I618 I621 L663 S666 N667 D671 M672 V673 | E617-L669 HydrophobicContact CB-CD1 4.24Å; I618-L669 HydrophobicContact CB-CD2 4.21Å; I618-L669 HydrophobicContact CG1-CD1 4.32Å; I618-L669 HydrophobicContact CG1-CD2 3.77Å; I618-L669 HydrophobicContact CG1-CG 4.13Å; I621-L669 HydrophobicContact CB-CD2 4Å; I621-L669 HydrophobicContact CD1-CB 4.28Å; I621-L669 HydrophobicContact CD1-CD1 3.78Å; I621-L669 HydrophobicContact CD1-CD2 3.41Å; I621-L669 VanDerWaalsContact CD1-CD2 3.41Å; I621-L669 HydrophobicContact CD1-CG 3.99Å; I621-L669 HydrophobicContact CG1-CD2 4.28Å; I621-L669 HydrophobicContact CG2-CD2 4.07Å; L663-L669 HydrophobicContact CD2-CB 3.38Å; L663-L669 HydrophobicContact CD2-CD1 3.83Å; L663-L669 HydrophobicContact CD2-CG 4.21Å; S666-L669 PolarHBondContact O-N 3.33Å; S666-L669 WeakPolarHBondContact OG-CD1 3.21Å; S666-L669 VanDerWaalsContact OG-CG 3.24Å; S666-L669 WeakPolarHBondContact OG-CG 3.49Å; N667-L669 VanDerWaalsContact C-N 3.28Å; N667-L669 PolarHBondContact O-N 2.89Å; L669-D671 VanDerWaalsContact C-N 3.29Å; L669-D671 PolarHBondContact O-N 3.31Å; L669-M672 PolarHBondContact O-N 3.03Å; L669-V673 WeakPolarHBondContact O-CG2 3.45Å; L669-V673 PolarHBondContact O-N 2.91Å |
| 670 | V | 72.4 | Confident | 68.9 | Low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | L663 V673 T674 L702 I705 S706 K711 | L663-V670 HydrophobicContact CD1-CG2 4.01Å; V670-V673 PolarHBondContact O-N 3.22Å; V670-T674 WeakPolarHBondContact O-CB 3.38Å; V670-T674 PolarHBondContact O-N 3.28Å; V670-T674 PolarHBondContact O-OG1 2.95Å; V670-L702 HydrophobicContact CG1-CD2 4.05Å; V670-I705 HydrophobicContact CG2-CG2 3.77Å; V670-S706 WeakPolarHBondContact CG1-OG 3.47Å; V670-K711 HydrophobicContact CG1-CD 4.33Å |
| 671 | D | 74.6 | Confident | 68.6 | Low | 54 Ų | 54 | 46.9 Ų | 46.9 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.4 | -36.3 | -179.1 | -61.8 | -28 | 0 | 0 | 0 | 111.8 | M668 L669 N675 K711 T714 | M668-D671 PolarHBondContact O-N 3.28Å; L669-D671 VanDerWaalsContact C-N 3.29Å; L669-D671 PolarHBondContact O-N 3.31Å; D671-N675 VanDerWaalsContact O-CB 3.28Å; D671-N675 WeakPolarHBondContact O-CB 3.49Å; D671-N675 PolarHBondContact O-N 2.87Å; D671-N675 PolarHBondContact O-ND2 3.44Å; D671-N675 VanDerWaalsContact O-ND2 3.16Å; D671-K711 IonicContact OD1-NZ 3.77Å; D671-K711 PolarHBondContact OD1-NZ 3.04Å; D671-K711 IonicContact OD2-NZ 3.34Å; D671-K711 PolarHBondContact OD2-NZ 3.38Å; D671-T714 PolarHBondContact OD1-OG1 3.17Å |
| 672 | M | 76.1 | Confident | 68.6 | Low | 45 Ų | 45 | 49.8 Ų | 49.8 | 22% | 0.222 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175 | -74.3 | 177 | 65.8 | 0 | 0 | 112.4 | K622 L625 M668 L669 T676 | K622-M672 HydrophobicContact CD-CE 4.43Å; K622-M672 HydrophobicContact CG-CE 3.56Å; L625-M672 HydrophobicContact CD1-CB 4.08Å; L625-M672 HydrophobicContact CD1-CE 4.43Å; M668-M672 HydrophobicContact CE-SD 3.47Å; M668-M672 WeakPolarHBondContact CE-SD 3.47Å; M668-M672 HydrophobicContact CG-CG 4.49Å; M668-M672 HydrophobicContact CG-SD 4.09Å; M668-M672 VanDerWaalsContact O-CG 3.26Å; M668-M672 WeakPolarHBondContact O-CG 3.31Å; M668-M672 PolarHBondContact O-N 3.17Å; L669-M672 PolarHBondContact O-N 3.03Å; M672-T676 WeakPolarHBondContact O-CB 3.41Å; M672-T676 PolarHBondContact O-N 3.49Å; M672-T676 VanDerWaalsContact O-N 3.12Å; M672-T676 PolarHBondContact O-OG1 2.88Å |
| 673 | V | 77.3 | Confident | 68.6 | Low | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 110 | I621 L625 I655 L669 V670 T676 L677 L702 | I621-V673 HydrophobicContact CG2-CG2 3.9Å; L625-V673 HydrophobicContact CD1-CG2 4.35Å; L625-V673 HydrophobicContact CD2-CG2 4.37Å; I655-V673 HydrophobicContact CG2-CG1 4.01Å; L669-V673 WeakPolarHBondContact O-CG2 3.45Å; L669-V673 PolarHBondContact O-N 2.91Å; V670-V673 PolarHBondContact O-N 3.22Å; V673-T676 PolarHBondContact O-N 3.48Å; V673-L677 HydrophobicContact CG1-CD1 3.94Å; V673-L677 HydrophobicContact CG1-CG 4.28Å; V673-L677 WeakPolarHBondContact O-CG 3.38Å; V673-L677 PolarHBondContact O-N 3.01Å; V673-L702 HydrophobicContact CB-CD2 4.37Å; V673-L702 HydrophobicContact CG1-CD1 3.93Å; V673-L702 HydrophobicContact CG1-CD2 4.32Å |
| 674 | T | 75.8 | Confident | 68.8 | Low | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.9 | -52.2 | 177.3 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | V670 T676 L677 E678 T714 L718 | V670-T674 WeakPolarHBondContact O-CB 3.38Å; V670-T674 PolarHBondContact O-N 3.28Å; V670-T674 PolarHBondContact O-OG1 2.95Å; T674-T676 VanDerWaalsContact C-N 3.26Å; T674-T676 PolarHBondContact O-N 3.32Å; T674-L677 PolarHBondContact O-N 3.36Å; T674-E678 HydrophobicContact CG2-CG 4.28Å; T674-E678 WeakPolarHBondContact CG2-OE1 3.5Å; T674-E678 WeakPolarHBondContact O-CB 3.46Å; T674-E678 WeakPolarHBondContact O-CG 3.27Å; T674-E678 PolarHBondContact O-N 2.83Å; T674-T714 HydrophobicContact CG2-CG2 3.66Å; T674-T714 WeakPolarHBondContact OG1-CG2 3.38Å; T674-L718 HydrophobicContact CG2-CD1 4.42Å; T674-L718 HydrophobicContact CG2-CD2 3.82Å; T674-L718 HydrophobicContact CG2-CG 4.11Å |
| 675 | N | 78.2 | Confident | 69 | Low | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -36.1 | -178.7 | -70.1 | -21.7 | 0 | 0 | 0 | 112.3 | D671 Y679 | D671-N675 VanDerWaalsContact O-CB 3.28Å; D671-N675 WeakPolarHBondContact O-CB 3.49Å; D671-N675 PolarHBondContact O-N 2.87Å; D671-N675 PolarHBondContact O-ND2 3.44Å; D671-N675 VanDerWaalsContact O-ND2 3.16Å; N675-Y679 VanDerWaalsContact O-CB 3.31Å; N675-Y679 WeakPolarHBondContact O-CB 3.12Å; N675-Y679 PolarHBondContact O-N 3.46Å |
| 676 | T | 76.4 | Confident | 69.3 | Low | 20 Ų | 20 | 50.1 Ų | 50.1 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.1 | -43.7 | 179.3 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | L625 L628 L629 M672 V673 T674 E678 Y679 Y680 | L625-T676 HydrophobicContact CB-CG2 4.17Å; L625-T676 HydrophobicContact CD2-CG2 3.85Å; L625-T676 HydrophobicContact CG-CG2 4.47Å; L628-T676 HydrophobicContact CD2-CG2 4.45Å; L629-T676 HydrophobicContact CD1-CG2 4.32Å; L629-T676 HydrophobicContact CD2-CG2 4.12Å; L629-T676 HydrophobicContact CG-CG2 3.98Å; M672-T676 WeakPolarHBondContact O-CB 3.41Å; M672-T676 PolarHBondContact O-N 3.49Å; M672-T676 VanDerWaalsContact O-N 3.12Å; M672-T676 PolarHBondContact O-OG1 2.88Å; V673-T676 PolarHBondContact O-N 3.48Å; T674-T676 VanDerWaalsContact C-N 3.26Å; T674-T676 PolarHBondContact O-N 3.32Å; T676-E678 VanDerWaalsContact C-N 3.33Å; T676-Y679 PolarHBondContact O-N 3.47Å; T676-Y680 WeakPolarHBondContact O-CB 3.4Å; T676-Y680 PolarHBondContact O-N 3.08Å |
| 677 | L | 77.1 | Confident | 69.4 | Low | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -36.6 | 176.3 | -69.3 | 179.8 | 0 | 0 | 0 | 111.7 | L628 L652 V673 T674 Y680 L681 I695 C698 L702 | L628-L677 HydrophobicContact CD2-CD2 3.91Å; L652-L677 HydrophobicContact CD2-CD2 3.76Å; V673-L677 HydrophobicContact CG1-CD1 3.94Å; V673-L677 HydrophobicContact CG1-CG 4.28Å; V673-L677 WeakPolarHBondContact O-CG 3.38Å; V673-L677 PolarHBondContact O-N 3.01Å; T674-L677 PolarHBondContact O-N 3.36Å; L677-Y680 PolarHBondContact O-N 3.24Å; L677-L681 WeakPolarHBondContact O-CB 3.33Å; L677-L681 WeakPolarHBondContact O-CG 3.48Å; L677-L681 PolarHBondContact O-N 3.22Å; L677-I695 HydrophobicContact CD2-CG1 4.46Å; L677-C698 HydrophobicContact CD1-CB 3.82Å; L677-L702 HydrophobicContact CD1-CD1 3.72Å |
| 678 | E | 73.4 | Confident | 69.6 | Low | 27 Ų | 27 | 46.6 Ų | 46.6 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 171.7 | -75.9 | -178.2 | -174 | 0 | 0 | 111.3 | T674 T676 Y680 L681 Y682 S717 I721 | T674-E678 HydrophobicContact CG2-CG 4.28Å; T674-E678 WeakPolarHBondContact CG2-OE1 3.5Å; T674-E678 WeakPolarHBondContact O-CB 3.46Å; T674-E678 WeakPolarHBondContact O-CG 3.27Å; T674-E678 PolarHBondContact O-N 2.83Å; T676-E678 VanDerWaalsContact C-N 3.33Å; E678-Y680 VanDerWaalsContact C-N 3.29Å; E678-Y680 PolarHBondContact O-N 3.47Å; E678-L681 PolarHBondContact O-N 2.82Å; E678-Y682 HydrophobicContact CB-CD2 4.42Å; E678-Y682 HydrophobicContact CB-CE2 4.33Å; E678-Y682 WeakPolarHBondContact O-CD2 3.39Å; E678-Y682 PolarHBondContact O-N 2.9Å; E678-S717 WeakPolarHBondContact OE1-CB 3.45Å; E678-S717 PolarHBondContact OE1-OG 3.29Å; E678-S717 PolarHBondContact OE2-OG 2.91Å; E678-I721 HydrophobicContact CG-CD1 3.79Å |
| 679 | Y | 73 | Confident | 69.6 | Low | 106 Ų | 106 | 45.1 Ų | 45.1 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.8 | -48.3 | 176 | -179.1 | -93.2 | 0 | 0 | 0 | 111.1 | L629 N675 T676 Y682 H683 | L629-Y679 HydrophobicContact CD2-CD1 3.54Å; L629-Y679 HydrophobicContact CD2-CE1 3.79Å; N675-Y679 VanDerWaalsContact O-CB 3.31Å; N675-Y679 WeakPolarHBondContact O-CB 3.12Å; N675-Y679 PolarHBondContact O-N 3.46Å; T676-Y679 PolarHBondContact O-N 3.47Å; Y679-Y682 PolarHBondContact O-N 3.03Å; Y679-H683 AromaticContact CD2-CD2 3.88Å; Y679-H683 AromaticContact CD2-CE1 3.88Å; Y679-H683 AromaticContact CD2-NE2 3.8Å; Y679-H683 HydrophobicContact CE1-CB 4.25Å; Y679-H683 AromaticContact CE2-CD2 3.24Å; Y679-H683 WeakPolarHBondContact CE2-CD2 3.4Å; Y679-H683 AromaticContact CE2-CE1 3.96Å; Y679-H683 AromaticContact CE2-CG 3.78Å; Y679-H683 AromaticContact CE2-NE2 3.41Å; Y679-H683 WeakPolarHBondContact CE2-NE2 3.49Å; Y679-H683 AromaticContact CZ-CD2 3.52Å; Y679-H683 AromaticContact CZ-CG 3.91Å; Y679-H683 VanDerWaalsContact O-CB 3.29Å; Y679-H683 WeakPolarHBondContact O-CB 3.42Å; Y679-H683 PolarHBondContact O-N 3.36Å; Y679-H683 PolarHBondContact O-ND1 2.84Å; Y679-H683 VanDerWaalsContact O-ND1 3.08Å |
| 680 | Y | 71.3 | Confident | 69.7 | Low | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.3 | -52.9 | 177.2 | -158.5 | -95.7 | 0 | 0 | 0 | 110.9 | L628 S631 T632 C648 T676 L677 E678 Y682 H683 T684 I687 I695 | L628-Y680 HydrophobicContact CD1-CD2 4.14Å; L628-Y680 HydrophobicContact CD1-CE1 4.4Å; L628-Y680 HydrophobicContact CD1-CE2 3.81Å; L628-Y680 HydrophobicContact CD2-CD2 4.42Å; L628-Y680 HydrophobicContact CG-CD2 3.88Å; L628-Y680 HydrophobicContact CG-CE2 3.97Å; L628-Y680 HydrophobicContact CG-CG 4.44Å; L628-Y680 VanDerWaalsContact O-CE2 3.3Å; L628-Y680 WeakPolarHBondContact O-CE2 3.36Å; S631-Y680 WeakPolarHBondContact OG-CE2 3.42Å; S631-Y680 PolarHBondContact OG-OH 2.7Å; T632-Y680 HydrophobicContact CG2-CD2 3.47Å; T632-Y680 VanDerWaalsContact CG2-CD2 3.47Å; T632-Y680 HydrophobicContact CG2-CE2 3.43Å; T632-Y680 VanDerWaalsContact CG2-CE2 3.43Å; C648-Y680 PolarHBondContact SG-OH 3.08Å; T676-Y680 WeakPolarHBondContact O-CB 3.4Å; T676-Y680 PolarHBondContact O-N 3.08Å; L677-Y680 PolarHBondContact O-N 3.24Å; E678-Y680 VanDerWaalsContact C-N 3.29Å; E678-Y680 PolarHBondContact O-N 3.47Å; Y680-Y682 VanDerWaalsContact C-N 3.26Å; Y680-Y682 PolarHBondContact O-N 3.35Å; Y680-H683 PolarHBondContact O-N 2.89Å; Y680-T684 HydrophobicContact CD1-CG2 4.31Å; Y680-T684 HydrophobicContact CD2-CG2 3.89Å; Y680-T684 HydrophobicContact CE1-CG2 4.16Å; Y680-T684 HydrophobicContact CE2-CG2 3.7Å; Y680-T684 HydrophobicContact CG-CG2 4.18Å; Y680-T684 PolarHBondContact O-N 3.48Å; Y680-T684 VanDerWaalsContact O-N 3.08Å; Y680-T684 PolarHBondContact O-OG1 3.03Å; Y680-I687 HydrophobicContact CD1-CD1 3.8Å; Y680-I687 HydrophobicContact CE1-CD1 3.51Å; Y680-I687 HydrophobicContact CE1-CG1 3.86Å; Y680-I695 HydrophobicContact CD1-CD1 3.7Å; Y680-I695 HydrophobicContact CE1-CD1 3.92Å |
| 681 | L | 68.2 | Low | 69.7 | Low | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.9 | -34 | 178.3 | -82.1 | 177.7 | 0 | 0 | 0 | 114.4 | L677 E678 Y692 I695 I699 I721 | L677-L681 WeakPolarHBondContact O-CB 3.33Å; L677-L681 WeakPolarHBondContact O-CG 3.48Å; L677-L681 PolarHBondContact O-N 3.22Å; E678-L681 PolarHBondContact O-N 2.82Å; L681-Y692 HydrophobicContact CD2-CD2 4.29Å; L681-Y692 HydrophobicContact CD2-CE2 3.87Å; L681-I695 HydrophobicContact CD1-CG2 4.02Å; L681-I695 HydrophobicContact CD2-CG2 3.81Å; L681-I695 HydrophobicContact CG-CG2 3.83Å; L681-I699 HydrophobicContact CD1-CD1 3.4Å; L681-I699 VanDerWaalsContact CD1-CD1 3.4Å; L681-I721 HydrophobicContact CD1-CD1 4.32Å; L681-I721 HydrophobicContact CD1-CG2 4.34Å |
| 682 | Y | 65.7 | Low | 69.6 | Low | 120 Ų | 120 | 46.8 Ų | 46.8 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -85.9 | -26.5 | -179.4 | -73.3 | -62.3 | 0 | 0 | 0 | 113.6 | E678 Y679 Y680 | E678-Y682 HydrophobicContact CB-CD2 4.42Å; E678-Y682 HydrophobicContact CB-CE2 4.33Å; E678-Y682 WeakPolarHBondContact O-CD2 3.39Å; E678-Y682 PolarHBondContact O-N 2.9Å; Y679-Y682 PolarHBondContact O-N 3.03Å; Y680-Y682 VanDerWaalsContact C-N 3.26Å; Y680-Y682 PolarHBondContact O-N 3.35Å |
| 683 | H | 61.8 | Low | 69.5 | Low | 111 Ų | 111 | 46.5 Ų | 46.5 | 51% | 0.514 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -111.9 | -19.9 | -164.8 | -65 | 48.8 | 0 | 0 | 0 | 114.2 | Y679 Y680 | Y679-H683 AromaticContact CD2-CD2 3.88Å; Y679-H683 AromaticContact CD2-CE1 3.88Å; Y679-H683 AromaticContact CD2-NE2 3.8Å; Y679-H683 HydrophobicContact CE1-CB 4.25Å; Y679-H683 AromaticContact CE2-CD2 3.24Å; Y679-H683 WeakPolarHBondContact CE2-CD2 3.4Å; Y679-H683 AromaticContact CE2-CE1 3.96Å; Y679-H683 AromaticContact CE2-CG 3.78Å; Y679-H683 AromaticContact CE2-NE2 3.41Å; Y679-H683 WeakPolarHBondContact CE2-NE2 3.49Å; Y679-H683 AromaticContact CZ-CD2 3.52Å; Y679-H683 AromaticContact CZ-CG 3.91Å; Y679-H683 VanDerWaalsContact O-CB 3.29Å; Y679-H683 WeakPolarHBondContact O-CB 3.42Å; Y679-H683 PolarHBondContact O-N 3.36Å; Y679-H683 PolarHBondContact O-ND1 2.84Å; Y679-H683 VanDerWaalsContact O-ND1 3.08Å; Y680-H683 PolarHBondContact O-N 2.89Å |
| 684 | T | 61.5 | Low | 69.6 | Low | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -91.3 | 130.2 | 178.9 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | T632 Y680 I687 | T632-T684 HydrophobicContact CG2-CG2 3.53Å; Y680-T684 HydrophobicContact CD1-CG2 4.31Å; Y680-T684 HydrophobicContact CD2-CG2 3.89Å; Y680-T684 HydrophobicContact CE1-CG2 4.16Å; Y680-T684 HydrophobicContact CE2-CG2 3.7Å; Y680-T684 HydrophobicContact CG-CG2 4.18Å; Y680-T684 PolarHBondContact O-N 3.48Å; Y680-T684 VanDerWaalsContact O-N 3.08Å; Y680-T684 PolarHBondContact O-OG1 3.03Å; T684-I687 WeakPolarHBondContact OG1-CD1 3.15Å | ||
| 685 | K | 55.9 | Low | 69.7 | Low | 151 Ų | 151 | 46.9 Ų | 46.9 | 66% | 0.657 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -87.9 | -15.8 | -179.2 | -74.7 | -175.2 | 177.8 | 178.6 | 0 | 115 | S753 | K685-S753 PolarHBondContact O-OG 3.29Š|
| 686 | L | 56.2 | Low | 69.7 | Low | 50 Ų | 50 | 42.2 Ų | 42.2 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | trans | -139.9 | 105.5 | -170.6 | -82.7 | 150 | 0 | 0 | 0 | 109 | I634 Q754 | I634-L686 HydrophobicContact CG2-CB 3.96Å; I634-L686 HydrophobicContact CG2-CD1 4.24Å; L686-Q754 HydrophobicContact CD2-CG 3.31Å | ||
| 687 | I | 61.5 | Low | 70 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | trans | -131 | 133 | 171.4 | -54.7 | 174.4 | 0 | 0 | 0 | 105.8 | Y680 T684 I695 | Y680-I687 HydrophobicContact CD1-CD1 3.8Å; Y680-I687 HydrophobicContact CE1-CD1 3.51Å; Y680-I687 HydrophobicContact CE1-CG1 3.86Å; T684-I687 WeakPolarHBondContact OG1-CD1 3.15Å; I687-I695 HydrophobicContact CD1-CD1 3.83Å; I687-I695 HydrophobicContact CG2-CD1 4.49Å | ||
| 688 | D | 66.7 | Low | 70.1 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | trans | -67.5 | 157.4 | 171.5 | 79 | -52.4 | 0 | 0 | 0 | 110.7 | I645 T690 S691 Y692 | I645-D688 HydrophobicContact CG2-CB 4.15Å; D688-T690 PolarHBondContact O-N 2.92Å; D688-T690 VanDerWaalsContact O-N 3.11Å; D688-T690 WeakPolarHBondContact OD2-CB 3.5Å; D688-T690 PolarHBondContact OD2-N 3.35Å; D688-T690 PolarHBondContact OD2-OG1 2.86Å; D688-S691 PolarHBondContact O-N 2.9Å; D688-S691 WeakPolarHBondContact OD1-CB 3.45Å; D688-S691 PolarHBondContact OD1-N 3.23Å; D688-S691 PolarHBondContact OD1-OG 3.47Å; D688-Y692 PolarHBondContact O-N 3.29Å; D688-Y692 VanDerWaalsContact O-N 3.08Å | ||
| 689 | Q | 68.5 | Low | 70.4 | Confident | 66 Ų | 66 | 41 Ų | 41 | 31% | 0.308 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.9 | -32.4 | -176.1 | -174.8 | 63 | 33 | 0 | 0 | 112.6 | Y692 N693 | Q689-Y692 PolarHBondContact O-N 2.85Å; Q689-N693 PolarHBondContact NE2-OD1 2.97Å; Q689-N693 VanDerWaalsContact O-CB 3.32Å; Q689-N693 WeakPolarHBondContact O-CB 3.36Å; Q689-N693 PolarHBondContact O-N 3.43Å; Q689-N693 PolarHBondContact O-ND2 3Å |
| 690 | T | 72 | Confident | 70.7 | Confident | 76 Ų | 76 | 36 Ų | 36 | 47% | 0.466 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66 | -49.8 | -179 | -34.2 | 0 | 0 | 0 | 0 | 111.1 | D688 Y692 N693 L694 | D688-T690 PolarHBondContact O-N 2.92Å; D688-T690 VanDerWaalsContact O-N 3.11Å; D688-T690 WeakPolarHBondContact OD2-CB 3.5Å; D688-T690 PolarHBondContact OD2-N 3.35Å; D688-T690 PolarHBondContact OD2-OG1 2.86Å; T690-Y692 VanDerWaalsContact C-N 3.32Å; T690-Y692 PolarHBondContact O-N 3.46Å; T690-N693 WeakPolarHBondContact O-CB 3.41Å; T690-N693 PolarHBondContact O-N 2.64Å; T690-L694 WeakPolarHBondContact O-CB 3.07Å; T690-L694 PolarHBondContact O-N 3.39Å |
| 691 | S | 72.4 | Confident | 71 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | L652 D688 L694 I695 | L652-S691 WeakPolarHBondContact CD1-O 3.44Å; D688-S691 PolarHBondContact O-N 2.9Å; D688-S691 WeakPolarHBondContact OD1-CB 3.45Å; D688-S691 PolarHBondContact OD1-N 3.23Å; D688-S691 PolarHBondContact OD1-OG 3.47Å; S691-L694 PolarHBondContact O-N 2.94Å; S691-I695 VanDerWaalsContact O-CG1 3.3Å; S691-I695 WeakPolarHBondContact O-CG1 3.48Å; S691-I695 PolarHBondContact O-N 3.32Å |
| 692 | Y | 72.8 | Confident | 71.5 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.7 | -174.1 | -102.6 | 0 | 0 | 0 | 113 | L681 D688 Q689 T690 L694 I695 S696 R725 I751 | L681-Y692 HydrophobicContact CD2-CD2 4.29Å; L681-Y692 HydrophobicContact CD2-CE2 3.87Å; D688-Y692 PolarHBondContact O-N 3.29Å; D688-Y692 VanDerWaalsContact O-N 3.08Å; Q689-Y692 PolarHBondContact O-N 2.85Å; T690-Y692 VanDerWaalsContact C-N 3.32Å; T690-Y692 PolarHBondContact O-N 3.46Å; Y692-L694 VanDerWaalsContact C-N 3.31Å; Y692-I695 PolarHBondContact O-N 3.49Å; Y692-S696 PolarHBondContact O-N 3.07Å; Y692-S696 PolarHBondContact O-OG 3Å; Y692-R725 VanDerWaalsContact CZ-NH2 3.35Å; Y692-R725 PolarHBondContact OH-NE 3.32Å; Y692-R725 PolarHBondContact OH-NH2 2.71Å; Y692-R725 VanDerWaalsContact OH-NH2 3.09Å; Y692-I751 HydrophobicContact CD2-CD1 4.32Å; Y692-I751 HydrophobicContact CD2-CG1 4.4Å; Y692-I751 HydrophobicContact CE1-CD1 3.89Å; Y692-I751 HydrophobicContact CE2-CD1 3.62Å; Y692-I751 HydrophobicContact CE2-CG1 4.09Å; Y692-I751 WeakPolarHBondContact OH-CD1 3.32Å |
| 693 | N | 74.7 | Confident | 72 | Confident | 39 Ų | 39 | 30 Ų | 30 | 21% | 0.209 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 172.5 | -77.3 | -13.8 | 0 | 0 | 0 | 110.8 | Q689 T690 S696 Y697 Q778 | Q689-N693 PolarHBondContact NE2-OD1 2.97Å; Q689-N693 VanDerWaalsContact O-CB 3.32Å; Q689-N693 WeakPolarHBondContact O-CB 3.36Å; Q689-N693 PolarHBondContact O-N 3.43Å; Q689-N693 PolarHBondContact O-ND2 3Å; T690-N693 WeakPolarHBondContact O-CB 3.41Å; T690-N693 PolarHBondContact O-N 2.64Å; N693-S696 WeakPolarHBondContact O-CB 3.45Å; N693-S696 PolarHBondContact O-N 3.24Å; N693-Y697 PolarHBondContact O-N 3.49Å; N693-Q778 HydrophobicContact CB-CG 3.86Å; N693-Q778 WeakPolarHBondContact O-CB 3.39Å |
| 694 | L | 77.9 | Confident | 72.6 | Confident | 14 Ų | 14 | 25.2 Ų | 25.2 | 7% | 0.073 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.3 | -36.9 | -179.1 | -168.5 | 56.8 | 0 | 0 | 0 | 113.1 | L652 C653 Q656 T690 S691 Y692 S696 Y697 C698 | L652-L694 HydrophobicContact CB-CB 4.36Å; L652-L694 HydrophobicContact CB-CD2 3.38Å; L652-L694 HydrophobicContact CB-CG 3.73Å; L652-L694 HydrophobicContact CD1-CB 4.49Å; C653-L694 HydrophobicContact CB-CD2 4.45Å; C653-L694 VanDerWaalsContact SG-CD2 3.55Å; Q656-L694 HydrophobicContact CB-CD1 4.17Å; Q656-L694 HydrophobicContact CG-CD1 4.22Å; T690-L694 WeakPolarHBondContact O-CB 3.07Å; T690-L694 PolarHBondContact O-N 3.39Å; S691-L694 PolarHBondContact O-N 2.94Å; Y692-L694 VanDerWaalsContact C-N 3.31Å; L694-S696 VanDerWaalsContact C-N 3.31Å; L694-S696 PolarHBondContact O-N 3.06Å; L694-Y697 WeakPolarHBondContact O-CB 3.37Å; L694-Y697 PolarHBondContact O-N 3.4Å; L694-C698 PolarHBondContact O-N 3.43Å; L694-C698 PolarHBondContact O-SG 3Å |
| 695 | I | 79.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 169.2 | -69.4 | 162.2 | 0 | 0 | 0 | 110.1 | L652 L677 Y680 L681 I687 S691 Y692 Y697 C698 I699 | L652-I695 HydrophobicContact CD1-CD1 4.09Å; L652-I695 HydrophobicContact CD1-CG1 3.62Å; L652-I695 HydrophobicContact CD2-CG1 3.55Å; L652-I695 HydrophobicContact CG-CG1 4.25Å; L677-I695 HydrophobicContact CD2-CG1 4.46Å; Y680-I695 HydrophobicContact CD1-CD1 3.7Å; Y680-I695 HydrophobicContact CE1-CD1 3.92Å; L681-I695 HydrophobicContact CD1-CG2 4.02Å; L681-I695 HydrophobicContact CD2-CG2 3.81Å; L681-I695 HydrophobicContact CG-CG2 3.83Å; I687-I695 HydrophobicContact CD1-CD1 3.83Å; I687-I695 HydrophobicContact CG2-CD1 4.49Å; S691-I695 VanDerWaalsContact O-CG1 3.3Å; S691-I695 WeakPolarHBondContact O-CG1 3.48Å; S691-I695 PolarHBondContact O-N 3.32Å; Y692-I695 PolarHBondContact O-N 3.49Å; I695-Y697 VanDerWaalsContact C-N 3.31Å; I695-Y697 PolarHBondContact O-N 3.48Å; I695-C698 PolarHBondContact O-N 3.47Å; I695-I699 HydrophobicContact CG2-CD1 3.8Å; I695-I699 HydrophobicContact CG2-CG1 4.48Å; I695-I699 WeakPolarHBondContact O-CG1 3.38Å; I695-I699 PolarHBondContact O-N 3.18Å |
| 696 | S | 78.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 179.3 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | Y692 N693 L694 I699 G700 R725 S775 M779 | Y692-S696 PolarHBondContact O-N 3.07Å; Y692-S696 PolarHBondContact O-OG 3Å; N693-S696 WeakPolarHBondContact O-CB 3.45Å; N693-S696 PolarHBondContact O-N 3.24Å; L694-S696 VanDerWaalsContact C-N 3.31Å; L694-S696 PolarHBondContact O-N 3.06Å; S696-I699 WeakPolarHBondContact O-CB 3.34Å; S696-I699 PolarHBondContact O-N 3.07Å; S696-G700 PolarHBondContact O-N 3.2Å; S696-R725 PolarHBondContact OG-NH1 3.44Å; S696-S775 WeakPolarHBondContact CB-O 3.42Å; S696-M779 WeakPolarHBondContact O-CA 3.48Å; S696-M779 WeakPolarHBondContact O-CB 3.27Å; S696-M779 WeakPolarHBondContact O-CG 3.11Å |
| 697 | Y | 81.2 | Confident | 74.8 | Confident | 24 Ų | 24 | 17.9 Ų | 17.9 | 9% | 0.094 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 172.9 | -171.3 | -83.1 | 0 | 0 | 0 | 112.9 | Q656 K660 N693 L694 I695 I699 G700 M701 Q778 D781 G782 S785 | Q656-Y697 HydrophobicContact CG-CD1 3.76Å; Q656-Y697 HydrophobicContact CG-CE1 3.54Å; K660-Y697 WeakPolarHBondContact CE-OH 3.34Å; K660-Y697 PolarHBondContact NZ-OH 2.89Å; N693-Y697 PolarHBondContact O-N 3.49Å; L694-Y697 WeakPolarHBondContact O-CB 3.37Å; L694-Y697 PolarHBondContact O-N 3.4Å; I695-Y697 VanDerWaalsContact C-N 3.31Å; I695-Y697 PolarHBondContact O-N 3.48Å; Y697-I699 VanDerWaalsContact C-N 3.34Å; Y697-I699 PolarHBondContact O-N 3.15Å; Y697-G700 WeakPolarHBondContact O-CA 3.31Å; Y697-G700 PolarHBondContact O-N 2.94Å; Y697-G700 VanDerWaalsContact O-N 3.14Å; Y697-M701 HydrophobicContact CD1-CE 3.48Å; Y697-M701 VanDerWaalsContact CD1-CE 3.48Å; Y697-M701 HydrophobicContact CD1-SD 4.25Å; Y697-M701 HydrophobicContact CE1-CE 3.52Å; Y697-M701 HydrophobicContact CE1-CG 4.29Å; Y697-M701 HydrophobicContact CE1-SD 3.72Å; Y697-M701 PolarHBondContact O-N 3.28Å; Y697-M701 VanDerWaalsContact O-N 3.12Å; Y697-Q778 VanDerWaalsContact CA-O 3.22Å; Y697-Q778 WeakPolarHBondContact CA-O 3.2Å; Y697-Q778 WeakPolarHBondContact CD2-O 3.47Å; Y697-D781 HydrophobicContact CD2-CB 3.8Å; Y697-D781 HydrophobicContact CE2-CB 3.78Å; Y697-G782 WeakPolarHBondContact O-CA 3.4Å; Y697-S785 WeakPolarHBondContact OH-CB 3.36Å; Y697-S785 PolarHBondContact OH-OG 3.47Å; Y697-S785 VanDerWaalsContact OH-OG 3.14Å |
| 698 | C | 80.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.9 | -66.7 | 0 | 0 | 0 | 0 | 112.6 | I655 L659 L677 L694 I695 G700 M701 L702 | I655-C698 HydrophobicContact CG2-CB 4.45Å; L659-C698 HydrophobicContact CD1-CB 3.85Å; L677-C698 HydrophobicContact CD1-CB 3.82Å; L694-C698 PolarHBondContact O-N 3.43Å; L694-C698 PolarHBondContact O-SG 3Å; I695-C698 PolarHBondContact O-N 3.47Å; C698-G700 VanDerWaalsContact C-N 3.29Å; C698-G700 PolarHBondContact O-N 3.27Å; C698-M701 HydrophobicContact CB-CE 4.4Å; C698-M701 PolarHBondContact O-N 2.75Å; C698-L702 WeakPolarHBondContact O-CG 3.43Å; C698-L702 PolarHBondContact O-N 2.98Å |
| 699 | I | 79.7 | Confident | 75.2 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 173.7 | -73.5 | 167 | 0 | 0 | 0 | 111.1 | L681 I695 S696 Y697 L702 L703 L718 M779 | L681-I699 HydrophobicContact CD1-CD1 3.4Å; L681-I699 VanDerWaalsContact CD1-CD1 3.4Å; I695-I699 HydrophobicContact CG2-CD1 3.8Å; I695-I699 HydrophobicContact CG2-CG1 4.48Å; I695-I699 WeakPolarHBondContact O-CG1 3.38Å; I695-I699 PolarHBondContact O-N 3.18Å; S696-I699 WeakPolarHBondContact O-CB 3.34Å; S696-I699 PolarHBondContact O-N 3.07Å; Y697-I699 VanDerWaalsContact C-N 3.34Å; Y697-I699 PolarHBondContact O-N 3.15Å; I699-L702 PolarHBondContact O-N 3.21Å; I699-L703 HydrophobicContact CG2-CD1 4.08Å; I699-L703 WeakPolarHBondContact O-CG 3.5Å; I699-L703 PolarHBondContact O-N 3.05Å; I699-L718 HydrophobicContact CG1-CD2 4.29Å; I699-L718 HydrophobicContact CG2-CD2 3.97Å; I699-M779 HydrophobicContact CB-CE 4.24Å; I699-M779 HydrophobicContact CB-CG 4.47Å; I699-M779 HydrophobicContact CG2-CE 3.58Å; I699-M779 HydrophobicContact CG2-CG 4.03Å; I699-M779 HydrophobicContact CG2-SD 3.58Å; I699-M779 VanDerWaalsContact CG2-SD 3.58Å |
| 700 | G | 78.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.5 | -50.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | S696 Y697 C698 L703 Y704 M779 F783 | S696-G700 PolarHBondContact O-N 3.2Å; Y697-G700 WeakPolarHBondContact O-CA 3.31Å; Y697-G700 PolarHBondContact O-N 2.94Å; Y697-G700 VanDerWaalsContact O-N 3.14Å; C698-G700 VanDerWaalsContact C-N 3.29Å; C698-G700 PolarHBondContact O-N 3.27Å; G700-L703 WeakPolarHBondContact O-CB 3.36Å; G700-L703 PolarHBondContact O-N 3.48Å; G700-Y704 PolarHBondContact O-N 3.41Å; G700-M779 WeakPolarHBondContact CA-O 3.21Å; G700-F783 WeakPolarHBondContact O-CA 3.35Å |
| 701 | M | 78.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.9 | -70.5 | -175.8 | -69.9 | 0 | 0 | 111.9 | Q656 L659 K660 Y697 C698 L703 Y704 I705 G782 S785 V786 | Q656-M701 HydrophobicContact CB-CE 4.26Å; Q656-M701 HydrophobicContact CG-CE 3.76Å; L659-M701 HydrophobicContact CB-CB 4.22Å; L659-M701 HydrophobicContact CB-CE 3.6Å; L659-M701 HydrophobicContact CB-SD 3.63Å; L659-M701 HydrophobicContact CD1-CB 4.36Å; L659-M701 HydrophobicContact CD1-CE 3.62Å; L659-M701 HydrophobicContact CG-CE 4.23Å; K660-M701 HydrophobicContact CG-SD 3.99Å; Y697-M701 HydrophobicContact CD1-CE 3.48Å; Y697-M701 VanDerWaalsContact CD1-CE 3.48Å; Y697-M701 HydrophobicContact CD1-SD 4.25Å; Y697-M701 HydrophobicContact CE1-CE 3.52Å; Y697-M701 HydrophobicContact CE1-CG 4.29Å; Y697-M701 HydrophobicContact CE1-SD 3.72Å; Y697-M701 PolarHBondContact O-N 3.28Å; Y697-M701 VanDerWaalsContact O-N 3.12Å; C698-M701 HydrophobicContact CB-CE 4.4Å; C698-M701 PolarHBondContact O-N 2.75Å; M701-L703 VanDerWaalsContact C-N 3.35Å; M701-L703 PolarHBondContact O-N 3.37Å; M701-Y704 PolarHBondContact O-N 3.16Å; M701-I705 VanDerWaalsContact O-CG1 3.26Å; M701-I705 WeakPolarHBondContact O-CG1 3.38Å; M701-I705 PolarHBondContact O-N 3.47Å; M701-G782 WeakPolarHBondContact CG-O 3.47Å; M701-S785 WeakPolarHBondContact CG-OG 3.47Å; M701-V786 HydrophobicContact CB-CG2 3.94Å; M701-V786 HydrophobicContact CG-CG2 3.73Å |
| 702 | L | 78.5 | Confident | 75 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -36.4 | 179 | -73.1 | 166.7 | 0 | 0 | 0 | 112.7 | L659 V670 V673 L677 C698 I699 I705 S706 L718 | L659-L702 HydrophobicContact CD1-CG 4.37Å; L659-L702 HydrophobicContact CD2-CD2 3.67Å; L659-L702 HydrophobicContact CD2-CG 4.08Å; V670-L702 HydrophobicContact CG1-CD2 4.05Å; V673-L702 HydrophobicContact CB-CD2 4.37Å; V673-L702 HydrophobicContact CG1-CD1 3.93Å; V673-L702 HydrophobicContact CG1-CD2 4.32Å; L677-L702 HydrophobicContact CD1-CD1 3.72Å; C698-L702 WeakPolarHBondContact O-CG 3.43Å; C698-L702 PolarHBondContact O-N 2.98Å; I699-L702 PolarHBondContact O-N 3.21Å; L702-I705 PolarHBondContact O-N 3.02Å; L702-S706 WeakPolarHBondContact O-CB 3.26Å; L702-S706 PolarHBondContact O-N 3.24Å; L702-S706 PolarHBondContact O-OG 3.17Å; L702-L718 HydrophobicContact CB-CD1 3.98Å |
| 703 | L | 76.9 | Confident | 75 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 173 | -81.4 | 162.1 | 0 | 0 | 0 | 110.8 | I699 G700 M701 S706 E707 L718 Q719 L722 M779 F783 | I699-L703 HydrophobicContact CG2-CD1 4.08Å; I699-L703 WeakPolarHBondContact O-CG 3.5Å; I699-L703 PolarHBondContact O-N 3.05Å; G700-L703 WeakPolarHBondContact O-CB 3.36Å; G700-L703 PolarHBondContact O-N 3.48Å; M701-L703 VanDerWaalsContact C-N 3.35Å; M701-L703 PolarHBondContact O-N 3.37Å; L703-S706 PolarHBondContact O-N 3.05Å; L703-E707 WeakPolarHBondContact O-CB 3.35Å; L703-E707 PolarHBondContact O-N 3.08Å; L703-L718 HydrophobicContact CD1-CB 4.48Å; L703-L718 HydrophobicContact CD2-CB 3.35Å; L703-L718 HydrophobicContact CD2-CD1 4.06Å; L703-L718 HydrophobicContact CD2-CG 4.35Å; L703-L718 HydrophobicContact CG-CB 3.77Å; L703-L718 HydrophobicContact CG-CD1 4Å; L703-L718 HydrophobicContact CG-CG 4.47Å; L703-Q719 HydrophobicContact CD2-CG 4.34Å; L703-L722 HydrophobicContact CD1-CD1 3.4Å; L703-L722 HydrophobicContact CD1-CG 4.4Å; L703-L722 HydrophobicContact CD2-CD1 4.44Å; L703-M779 HydrophobicContact CD1-CG 4.21Å; L703-M779 HydrophobicContact CD1-SD 3.79Å; L703-F783 HydrophobicContact CB-CD2 4.22Å |
| 704 | Y | 74.7 | Confident | 74.8 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 177.9 | -178.6 | -94 | 0 | 0 | 0 | 112.4 | G700 M701 E707 K708 F783 V786 I794 | G700-Y704 PolarHBondContact O-N 3.41Å; M701-Y704 PolarHBondContact O-N 3.16Å; Y704-E707 PolarHBondContact O-N 3.02Å; Y704-K708 HydrophobicContact CD1-CD 4.46Å; Y704-K708 HydrophobicContact CE1-CD 3.79Å; Y704-K708 HydrophobicContact CE1-CG 4.48Å; Y704-K708 PolarHBondContact O-N 3.46Å; Y704-K708 VanDerWaalsContact O-N 3.14Å; Y704-K708 WeakPolarHBondContact OH-CE 3.44Å; Y704-K708 PolarHBondContact OH-NZ 3.29Å; Y704-F783 HydrophobicContact CD2-CD1 4.4Å; Y704-F783 HydrophobicContact CD2-CD2 4.34Å; Y704-F783 AromaticContact CD2-CE1 3.96Å; Y704-F783 HydrophobicContact CD2-CE1 3.96Å; Y704-F783 AromaticContact CD2-CE2 3.9Å; Y704-F783 HydrophobicContact CD2-CE2 3.9Å; Y704-F783 AromaticContact CD2-CZ 3.68Å; Y704-F783 HydrophobicContact CD2-CZ 3.68Å; Y704-F783 HydrophobicContact CG-CE2 4.33Å; Y704-V786 HydrophobicContact CD1-CB 3.63Å; Y704-V786 HydrophobicContact CD1-CG1 3.65Å; Y704-V786 HydrophobicContact CD1-CG2 3.93Å; Y704-V786 HydrophobicContact CE1-CB 3.78Å; Y704-V786 HydrophobicContact CE1-CG1 3.58Å; Y704-V786 HydrophobicContact CG-CB 4.32Å; Y704-V786 HydrophobicContact CG-CG2 4.39Å; Y704-I794 HydrophobicContact CE2-CG2 4.3Å |
| 705 | I | 74.1 | Confident | 74.3 | Confident | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.1 | -41.8 | -179 | -65.9 | 167.2 | 0 | 0 | 0 | 110.9 | L659 L663 V670 M701 L702 E707 K708 Q709 | L659-I705 HydrophobicContact CD2-CD1 3.96Å; L663-I705 HydrophobicContact CD1-CD1 4.05Å; V670-I705 HydrophobicContact CG2-CG2 3.77Å; M701-I705 VanDerWaalsContact O-CG1 3.26Å; M701-I705 WeakPolarHBondContact O-CG1 3.38Å; M701-I705 PolarHBondContact O-N 3.47Å; L702-I705 PolarHBondContact O-N 3.02Å; I705-E707 VanDerWaalsContact C-N 3.35Å; I705-K708 PolarHBondContact O-N 2.88Å; I705-Q709 WeakPolarHBondContact O-CG 3.17Å; I705-Q709 PolarHBondContact O-N 3.12Å; I705-Q709 VanDerWaalsContact O-N 3.1Å |
| 706 | S | 74.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -36.6 | 179.6 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | V670 L702 L703 Q709 N710 K711 | V670-S706 WeakPolarHBondContact CG1-OG 3.47Å; L702-S706 WeakPolarHBondContact O-CB 3.26Å; L702-S706 PolarHBondContact O-N 3.24Å; L702-S706 PolarHBondContact O-OG 3.17Å; L703-S706 PolarHBondContact O-N 3.05Å; S706-Q709 CarbonylContact O-C 3.57Å; S706-Q709 PolarHBondContact O-N 3.42Å; S706-N710 PolarHBondContact O-N 3.26Å; S706-N710 VanDerWaalsContact O-N 3.09Å; S706-K711 PolarHBondContact O-N 3.3Å |
| 707 | E | 70.5 | Confident | 74 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 19% | 0.187 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 174.3 | -172.9 | 163.9 | -154.9 | 0 | 0 | 111.2 | L703 Y704 I705 Q709 N710 I715 N797 | L703-E707 WeakPolarHBondContact O-CB 3.35Å; L703-E707 PolarHBondContact O-N 3.08Å; Y704-E707 PolarHBondContact O-N 3.02Å; I705-E707 VanDerWaalsContact C-N 3.35Å; E707-Q709 PolarHBondContact O-N 3.47Å; E707-N710 PolarHBondContact O-N 2.91Å; E707-N710 VanDerWaalsContact O-N 3.12Å; E707-I715 HydrophobicContact CB-CD1 4.42Å; E707-N797 VanDerWaalsContact OE1-CB 3.28Å; E707-N797 WeakPolarHBondContact OE1-CB 3.42Å; E707-N797 PolarHBondContact OE1-ND2 2.87Å |
| 708 | K | 68.3 | Low | 73.7 | Confident | 99 Ų | 99 | 38.4 Ų | 38.4 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.6 | -28.4 | 173.1 | -78.8 | -167 | 170.6 | 179.1 | 0 | 113.8 | Y704 I705 | Y704-K708 HydrophobicContact CD1-CD 4.46Å; Y704-K708 HydrophobicContact CE1-CD 3.79Å; Y704-K708 HydrophobicContact CE1-CG 4.48Å; Y704-K708 PolarHBondContact O-N 3.46Å; Y704-K708 VanDerWaalsContact O-N 3.14Å; Y704-K708 WeakPolarHBondContact OH-CE 3.44Å; Y704-K708 PolarHBondContact OH-NZ 3.29Å; I705-K708 PolarHBondContact O-N 2.88Å |
| 709 | Q | 68.5 | Low | 73.3 | Confident | 56 Ų | 56 | 40 Ų | 40 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5.1 | -179.9 | -67.7 | -178.8 | -2.2 | 0 | 0 | 113.9 | I705 S706 E707 K711 | I705-Q709 WeakPolarHBondContact O-CG 3.17Å; I705-Q709 PolarHBondContact O-N 3.12Å; I705-Q709 VanDerWaalsContact O-N 3.1Å; S706-Q709 CarbonylContact O-C 3.57Å; S706-Q709 PolarHBondContact O-N 3.42Å; E707-Q709 PolarHBondContact O-N 3.47Å; Q709-K711 VanDerWaalsContact C-N 3.29Å; Q709-K711 HydrophobicContact CB-CG 4.06Å; Q709-K711 PolarHBondContact O-N 3.14Å; Q709-K711 VanDerWaalsContact OE1-CE 3.3Å |
| 710 | N | 69.1 | Low | 73.2 | Confident | 143 Ų | 143 | 45 Ų | 45 | 77% | 0.765 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 38.1 | -177.6 | -74.2 | -31.9 | 0 | 0 | 0 | 114.3 | S706 E707 Q712 | S706-N710 PolarHBondContact O-N 3.26Å; S706-N710 VanDerWaalsContact O-N 3.09Å; E707-N710 PolarHBondContact O-N 2.91Å; E707-N710 VanDerWaalsContact O-N 3.12Å; N710-Q712 PolarHBondContact O-N 3.49Å; N710-Q712 VanDerWaalsContact O-N 3.15Å |
| 711 | K | 69.4 | Low | 72.8 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 10% | 0.104 | 23% | 0.23 | C | C | . | . | trans | -87.6 | 76.5 | -179.1 | -68.4 | -166.4 | 175.1 | -158 | 0 | 112.9 | N667 V670 D671 S706 Q709 I713 T714 I715 | N667-K711 PolarHBondContact O-NZ 3.19Å; V670-K711 HydrophobicContact CG1-CD 4.33Å; D671-K711 IonicContact OD1-NZ 3.77Å; D671-K711 PolarHBondContact OD1-NZ 3.04Å; D671-K711 IonicContact OD2-NZ 3.34Å; D671-K711 PolarHBondContact OD2-NZ 3.38Å; S706-K711 PolarHBondContact O-N 3.3Å; Q709-K711 VanDerWaalsContact C-N 3.29Å; Q709-K711 HydrophobicContact CB-CG 4.06Å; Q709-K711 PolarHBondContact O-N 3.14Å; Q709-K711 VanDerWaalsContact OE1-CE 3.3Å; K711-I713 PolarHBondContact O-N 3.47Å; K711-I713 VanDerWaalsContact O-N 3.1Å; K711-T714 PolarHBondContact O-N 2.88Å; K711-I715 WeakPolarHBondContact O-CB 3.3Å; K711-I715 WeakPolarHBondContact O-CD1 2.89Å; K711-I715 WeakPolarHBondContact O-CG1 3.22Å; K711-I715 PolarHBondContact O-N 3.04Å | ||
| 712 | Q | 70.5 | Confident | 72.5 | Confident | 121 Ų | 121 | 46.1 Ų | 46.1 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -54.2 | -37.3 | -174 | -160 | 67.1 | 26.7 | 0 | 0 | 114.2 | N710 N716 | N710-Q712 PolarHBondContact O-N 3.49Å; N710-Q712 VanDerWaalsContact O-N 3.15Å; Q712-N716 PolarHBondContact NE2-OD1 2.93Å; Q712-N716 VanDerWaalsContact O-CB 3.26Å; Q712-N716 WeakPolarHBondContact O-CB 3.41Å; Q712-N716 PolarHBondContact O-N 3.19Å; Q712-N716 PolarHBondContact O-ND2 3.29Å; Q712-N716 PolarHBondContact O-OD1 2.81Å |
| 713 | I | 72.6 | Confident | 72.2 | Confident | 146 Ų | 146 | 49.9 Ų | 49.9 | 75% | 0.749 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67 | -51.5 | -179.7 | -61.3 | 173.7 | 0 | 0 | 0 | 110.7 | K711 I715 N716 S717 | K711-I713 PolarHBondContact O-N 3.47Å; K711-I713 VanDerWaalsContact O-N 3.1Å; I713-I715 VanDerWaalsContact C-N 3.33Å; I713-I715 PolarHBondContact O-N 2.86Å; I713-N716 PolarHBondContact O-N 3Å; I713-S717 PolarHBondContact O-N 2.83Å |
| 714 | T | 69.5 | Low | 72 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 178.5 | -41.4 | 0 | 0 | 0 | 0 | 110.6 | D671 T674 K711 S717 L718 | D671-T714 PolarHBondContact OD1-OG1 3.17Å; T674-T714 HydrophobicContact CG2-CG2 3.66Å; T674-T714 WeakPolarHBondContact OG1-CG2 3.38Å; K711-T714 PolarHBondContact O-N 2.88Å; T714-S717 PolarHBondContact O-N 3.39Å; T714-L718 HydrophobicContact CG2-CD1 4.07Å; T714-L718 WeakPolarHBondContact O-CB 3.24Å; T714-L718 VanDerWaalsContact O-CG 3.23Å; T714-L718 WeakPolarHBondContact O-CG 3.28Å; T714-L718 PolarHBondContact O-N 2.87Å |
| 715 | I | 69 | Low | 71.8 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -51.1 | 174.3 | -66.2 | 164.9 | 0 | 0 | 0 | 110.5 | E707 K711 I713 S717 L718 Q719 | E707-I715 HydrophobicContact CB-CD1 4.42Å; K711-I715 WeakPolarHBondContact O-CB 3.3Å; K711-I715 WeakPolarHBondContact O-CD1 2.89Å; K711-I715 WeakPolarHBondContact O-CG1 3.22Å; K711-I715 PolarHBondContact O-N 3.04Å; I713-I715 VanDerWaalsContact C-N 3.33Å; I713-I715 PolarHBondContact O-N 2.86Å; I715-S717 VanDerWaalsContact C-N 3.3Å; I715-S717 PolarHBondContact O-N 3.31Å; I715-L718 PolarHBondContact O-N 3.17Å; I715-Q719 HydrophobicContact CG2-CG 4.12Å; I715-Q719 VanDerWaalsContact O-CB 3.22Å; I715-Q719 WeakPolarHBondContact O-CB 3.4Å; I715-Q719 WeakPolarHBondContact O-CG 3.45Å; I715-Q719 PolarHBondContact O-N 3.09Å |
| 716 | N | 75 | Confident | 71.6 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -40 | -179.1 | -71.6 | -9 | 0 | 0 | 0 | 111.6 | Q712 I713 N720 | Q712-N716 PolarHBondContact NE2-OD1 2.93Å; Q712-N716 VanDerWaalsContact O-CB 3.26Å; Q712-N716 WeakPolarHBondContact O-CB 3.41Å; Q712-N716 PolarHBondContact O-N 3.19Å; Q712-N716 PolarHBondContact O-ND2 3.29Å; Q712-N716 PolarHBondContact O-OD1 2.81Å; I713-N716 PolarHBondContact O-N 3Å; N716-N720 WeakPolarHBondContact O-CB 3.27Å; N716-N720 PolarHBondContact O-N 3.36Å; N716-N720 PolarHBondContact O-ND2 3.46Å |
| 717 | S | 75 | Confident | 71.5 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -49.8 | 178.9 | -163.4 | 0 | 0 | 0 | 0 | 112 | E678 I713 T714 I715 Q719 N720 I721 | E678-S717 WeakPolarHBondContact OE1-CB 3.45Å; E678-S717 PolarHBondContact OE1-OG 3.29Å; E678-S717 PolarHBondContact OE2-OG 2.91Å; I713-S717 PolarHBondContact O-N 2.83Å; T714-S717 PolarHBondContact O-N 3.39Å; I715-S717 VanDerWaalsContact C-N 3.3Å; I715-S717 PolarHBondContact O-N 3.31Å; S717-Q719 VanDerWaalsContact C-N 3.32Å; S717-Q719 PolarHBondContact O-N 3.17Å; S717-N720 WeakPolarHBondContact O-CB 3.36Å; S717-N720 PolarHBondContact O-N 2.85Å; S717-N720 VanDerWaalsContact O-N 3.14Å; S717-I721 PolarHBondContact O-N 3.16Å |
| 718 | L | 74.3 | Confident | 71.4 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 177.3 | -63.1 | 169.1 | 0 | 0 | 0 | 111.7 | T674 I699 L702 L703 T714 I715 I721 L722 | T674-L718 HydrophobicContact CG2-CD1 4.42Å; T674-L718 HydrophobicContact CG2-CD2 3.82Å; T674-L718 HydrophobicContact CG2-CG 4.11Å; I699-L718 HydrophobicContact CG1-CD2 4.29Å; I699-L718 HydrophobicContact CG2-CD2 3.97Å; L702-L718 HydrophobicContact CB-CD1 3.98Å; L703-L718 HydrophobicContact CD1-CB 4.48Å; L703-L718 HydrophobicContact CD2-CB 3.35Å; L703-L718 HydrophobicContact CD2-CD1 4.06Å; L703-L718 HydrophobicContact CD2-CG 4.35Å; L703-L718 HydrophobicContact CG-CB 3.77Å; L703-L718 HydrophobicContact CG-CD1 4Å; L703-L718 HydrophobicContact CG-CG 4.47Å; T714-L718 HydrophobicContact CG2-CD1 4.07Å; T714-L718 WeakPolarHBondContact O-CB 3.24Å; T714-L718 VanDerWaalsContact O-CG 3.23Å; T714-L718 WeakPolarHBondContact O-CG 3.28Å; T714-L718 PolarHBondContact O-N 2.87Å; I715-L718 PolarHBondContact O-N 3.17Å; L718-I721 PolarHBondContact O-N 3.48Å; L718-L722 PolarHBondContact O-N 3.34Å; L718-L722 VanDerWaalsContact O-N 3.11Å |
| 719 | Q | 73 | Confident | 71.4 | Confident | 34 Ų | 34 | 49 Ų | 49 | 16% | 0.159 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | 173.2 | -77.5 | 179 | -10.2 | 0 | 0 | 112.3 | L703 I715 S717 I721 L722 Y723 | L703-Q719 HydrophobicContact CD2-CG 4.34Å; I715-Q719 HydrophobicContact CG2-CG 4.12Å; I715-Q719 VanDerWaalsContact O-CB 3.22Å; I715-Q719 WeakPolarHBondContact O-CB 3.4Å; I715-Q719 WeakPolarHBondContact O-CG 3.45Å; I715-Q719 PolarHBondContact O-N 3.09Å; S717-Q719 VanDerWaalsContact C-N 3.32Å; S717-Q719 PolarHBondContact O-N 3.17Å; Q719-I721 VanDerWaalsContact C-N 3.33Å; Q719-I721 PolarHBondContact O-N 3.07Å; Q719-L722 VanDerWaalsContact O-CB 3.28Å; Q719-L722 WeakPolarHBondContact O-CB 3.37Å; Q719-L722 PolarHBondContact O-N 3.25Å; Q719-Y723 HydrophobicContact CB-CD2 4.32Å; Q719-Y723 HydrophobicContact CB-CE2 4.31Å; Q719-Y723 WeakPolarHBondContact O-CD2 3.32Å; Q719-Y723 PolarHBondContact O-N 3.48Å |
| 720 | N | 76.2 | Confident | 71.6 | Confident | 104 Ų | 104 | 49.7 Ų | 49.7 | 56% | 0.556 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.9 | -38.9 | 176.2 | -73.1 | -25.8 | 0 | 0 | 0 | 111.9 | N716 S717 L722 Y723 S724 | N716-N720 WeakPolarHBondContact O-CB 3.27Å; N716-N720 PolarHBondContact O-N 3.36Å; N716-N720 PolarHBondContact O-ND2 3.46Å; S717-N720 WeakPolarHBondContact O-CB 3.36Å; S717-N720 PolarHBondContact O-N 2.85Å; S717-N720 VanDerWaalsContact O-N 3.14Å; N720-L722 VanDerWaalsContact C-N 3.34Å; N720-Y723 PolarHBondContact O-N 3.39Å; N720-S724 VanDerWaalsContact O-CB 3.31Å; N720-S724 WeakPolarHBondContact O-CB 3.41Å; N720-S724 PolarHBondContact O-N 3.03Å |
| 721 | I | 71.7 | Confident | 71.6 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 173.5 | -62.5 | 168.8 | 0 | 0 | 0 | 110.1 | E678 L681 S717 L718 Q719 S724 R725 | E678-I721 HydrophobicContact CG-CD1 3.79Å; L681-I721 HydrophobicContact CD1-CD1 4.32Å; L681-I721 HydrophobicContact CD1-CG2 4.34Å; S717-I721 PolarHBondContact O-N 3.16Å; L718-I721 PolarHBondContact O-N 3.48Å; Q719-I721 VanDerWaalsContact C-N 3.33Å; Q719-I721 PolarHBondContact O-N 3.07Å; I721-S724 PolarHBondContact O-N 2.93Å; I721-R725 WeakPolarHBondContact O-CG 3.48Å; I721-R725 PolarHBondContact O-N 2.9Å; I721-R725 VanDerWaalsContact O-N 3.08Å |
| 722 | L | 71.2 | Confident | 71.5 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -51.6 | 174.7 | -96 | 164.8 | 0 | 0 | 0 | 112.9 | L703 L718 Q719 N720 S724 R725 L726 M779 I803 | L703-L722 HydrophobicContact CD1-CD1 3.4Å; L703-L722 HydrophobicContact CD1-CG 4.4Å; L703-L722 HydrophobicContact CD2-CD1 4.44Å; L718-L722 PolarHBondContact O-N 3.34Å; L718-L722 VanDerWaalsContact O-N 3.11Å; Q719-L722 VanDerWaalsContact O-CB 3.28Å; Q719-L722 WeakPolarHBondContact O-CB 3.37Å; Q719-L722 PolarHBondContact O-N 3.25Å; N720-L722 VanDerWaalsContact C-N 3.34Å; L722-S724 VanDerWaalsContact C-N 3.34Å; L722-S724 PolarHBondContact O-N 3.31Å; L722-R725 PolarHBondContact O-N 3.49Å; L722-L726 WeakPolarHBondContact O-CB 3.36Å; L722-L726 PolarHBondContact O-N 2.91Å; L722-M779 HydrophobicContact CD1-SD 3.63Å; L722-M779 HydrophobicContact CD2-CE 4.07Å; L722-M779 HydrophobicContact CD2-SD 3.24Å; L722-M779 WeakPolarHBondContact CD2-SD 3.3Å; L722-M779 HydrophobicContact CG-CE 4.1Å; L722-M779 HydrophobicContact CG-SD 3.23Å; L722-M779 WeakPolarHBondContact CG-SD 3.33Å; L722-I803 HydrophobicContact CD1-CD1 4.4Å |
| 723 | Y | 73.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 39.9 Ų | 39.9 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.8 | -39.8 | -178.8 | -81.5 | -61.9 | 0 | 0 | 0 | 111.8 | Q719 N720 R725 L726 E727 H799 I803 | Q719-Y723 HydrophobicContact CB-CD2 4.32Å; Q719-Y723 HydrophobicContact CB-CE2 4.31Å; Q719-Y723 WeakPolarHBondContact O-CD2 3.32Å; Q719-Y723 PolarHBondContact O-N 3.48Å; N720-Y723 PolarHBondContact O-N 3.39Å; Y723-R725 VanDerWaalsContact C-N 3.34Å; Y723-R725 PolarHBondContact O-N 3.35Å; Y723-L726 PolarHBondContact O-N 3.44Å; Y723-E727 VanDerWaalsContact O-CB 3.27Å; Y723-E727 WeakPolarHBondContact O-CB 3.23Å; Y723-E727 PolarHBondContact O-N 3.43Å; Y723-H799 PolarHBondContact OH-CD2 2.99Å; Y723-I803 HydrophobicContact CE1-CG1 4.29Å |
| 724 | S | 72.1 | Confident | 70.9 | Confident | 51 Ų | 51 | 35.5 Ų | 35.5 | 36% | 0.357 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | N720 I721 L722 T728 | N720-S724 VanDerWaalsContact O-CB 3.31Å; N720-S724 WeakPolarHBondContact O-CB 3.41Å; N720-S724 PolarHBondContact O-N 3.03Å; I721-S724 PolarHBondContact O-N 2.93Å; L722-S724 VanDerWaalsContact C-N 3.34Å; L722-S724 PolarHBondContact O-N 3.31Å; S724-T728 WeakPolarHBondContact O-CB 3.3Å; S724-T728 PolarHBondContact O-N 3Å; S724-T728 PolarHBondContact O-OG1 3.37Å |
| 725 | R | 70.8 | Confident | 70.5 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 6% | 0.06 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.2 | -70.3 | 179.8 | -178.3 | -167.7 | 2.9 | 112.2 | Y692 S696 I721 L722 Y723 E727 T728 F729 L772 | Y692-R725 VanDerWaalsContact CZ-NH2 3.35Å; Y692-R725 PolarHBondContact OH-NE 3.32Å; Y692-R725 PolarHBondContact OH-NH2 2.71Å; Y692-R725 VanDerWaalsContact OH-NH2 3.09Å; S696-R725 PolarHBondContact OG-NH1 3.44Å; I721-R725 WeakPolarHBondContact O-CG 3.48Å; I721-R725 PolarHBondContact O-N 2.9Å; I721-R725 VanDerWaalsContact O-N 3.08Å; L722-R725 PolarHBondContact O-N 3.49Å; Y723-R725 VanDerWaalsContact C-N 3.34Å; Y723-R725 PolarHBondContact O-N 3.35Å; R725-E727 VanDerWaalsContact C-N 3.34Å; R725-E727 PolarHBondContact O-N 3.21Å; R725-T728 WeakPolarHBondContact O-CB 3.48Å; R725-T728 PolarHBondContact O-N 3.36Å; R725-F729 PolarHBondContact O-N 3.01Å; R725-L772 HydrophobicContact CB-CD1 4.18Å; R725-L772 HydrophobicContact CG-CD1 4.35Å |
| 726 | L | 69.7 | Low | 69.7 | Low | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.6 | -171.7 | 75.5 | 0 | 0 | 0 | 111.8 | L722 Y723 F729 R730 I803 K806 L807 | L722-L726 WeakPolarHBondContact O-CB 3.36Å; L722-L726 PolarHBondContact O-N 2.91Å; Y723-L726 PolarHBondContact O-N 3.44Å; L726-F729 WeakPolarHBondContact O-CB 3.37Å; L726-F729 PolarHBondContact O-N 3.39Å; L726-R730 WeakPolarHBondContact O-CB 3.15Å; L726-R730 PolarHBondContact O-N 3.3Å; L726-I803 HydrophobicContact CD1-CG2 4.18Å; L726-I803 HydrophobicContact CD2-CG1 4.41Å; L726-I803 HydrophobicContact CD2-CG2 4.31Å; L726-K806 HydrophobicContact CD2-CB 4.36Å; L726-K806 HydrophobicContact CD2-CD 4.13Å; L726-L807 HydrophobicContact CD1-CB 4.5Å; L726-L807 HydrophobicContact CD1-CD1 4.13Å |
| 727 | E | 72 | Confident | 68.6 | Low | 88 Ų | 88 | 44.9 Ų | 44.9 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.1 | -38.8 | 178.3 | -172.1 | 59.9 | -164.6 | 0 | 0 | 111.3 | Y723 R725 F729 R730 L731 | Y723-E727 VanDerWaalsContact O-CB 3.27Å; Y723-E727 WeakPolarHBondContact O-CB 3.23Å; Y723-E727 PolarHBondContact O-N 3.43Å; R725-E727 VanDerWaalsContact C-N 3.34Å; R725-E727 PolarHBondContact O-N 3.21Å; E727-F729 VanDerWaalsContact C-N 3.31Å; E727-F729 PolarHBondContact O-N 2.57Å; E727-R730 VanDerWaalsContact CD-NE 3.28Å; E727-R730 WeakPolarHBondContact O-CB 3.48Å; E727-R730 PolarHBondContact O-N 2.95Å; E727-R730 IonicContact OE1-CZ 3.86Å; E727-R730 IonicContact OE1-NE 3.86Å; E727-R730 PolarHBondContact OE1-NE 2.96Å; E727-R730 IonicContact OE1-NH2 3.28Å; E727-R730 PolarHBondContact OE1-NH2 3.32Å; E727-R730 IonicContact OE2-NE 3.69Å; E727-R730 PolarHBondContact OE2-NE 3.44Å; E727-L731 WeakPolarHBondContact O-CG 3.45Å; E727-L731 PolarHBondContact O-N 3.11Å |
| 728 | T | 67.5 | Low | 67.2 | Low | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 169.4 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | S724 R725 L731 L732 L744 V748 L772 | S724-T728 WeakPolarHBondContact O-CB 3.3Å; S724-T728 PolarHBondContact O-N 3Å; S724-T728 PolarHBondContact O-OG1 3.37Å; R725-T728 WeakPolarHBondContact O-CB 3.48Å; R725-T728 PolarHBondContact O-N 3.36Å; T728-L731 PolarHBondContact O-N 2.95Å; T728-L732 HydrophobicContact CG2-CD1 4.25Å; T728-L732 WeakPolarHBondContact O-CG 3.23Å; T728-L732 PolarHBondContact O-N 3.12Å; T728-L744 HydrophobicContact CG2-CD2 3.59Å; T728-V748 HydrophobicContact CG2-CB 4.4Å; T728-V748 HydrophobicContact CG2-CG1 4.02Å; T728-V748 HydrophobicContact CG2-CG2 3.6Å; T728-L772 HydrophobicContact CG2-CD2 3.9Å |
| 729 | F | 69.8 | Low | 65.7 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 177.6 | -174.8 | -101 | 0 | 0 | 0 | 111.6 | R725 L726 E727 L731 L732 C733 I769 L772 L773 L807 Y810 | R725-F729 PolarHBondContact O-N 3.01Å; L726-F729 WeakPolarHBondContact O-CB 3.37Å; L726-F729 PolarHBondContact O-N 3.39Å; E727-F729 VanDerWaalsContact C-N 3.31Å; E727-F729 PolarHBondContact O-N 2.57Å; F729-L731 PolarHBondContact O-N 3.3Å; F729-L732 PolarHBondContact O-N 2.87Å; F729-C733 PolarHBondContact O-N 3.18Å; F729-C733 PolarHBondContact O-SG 3.45Å; F729-C733 VanDerWaalsContact O-SG 3.39Å; F729-I769 HydrophobicContact CD2-CG2 4.33Å; F729-I769 HydrophobicContact CE2-CG2 3.55Å; F729-I769 HydrophobicContact CZ-CG2 4.18Å; F729-L772 VanDerWaalsContact CA-CD2 3.44Å; F729-L772 HydrophobicContact CB-CD2 3.52Å; F729-L772 HydrophobicContact CB-CG 4.31Å; F729-L772 HydrophobicContact CD2-CB 4.47Å; F729-L772 HydrophobicContact CD2-CD2 4.04Å; F729-L772 HydrophobicContact CD2-CG 4.37Å; F729-L772 HydrophobicContact CG-CD2 4.3Å; F729-L772 VanDerWaalsContact N-CD2 3.34Å; F729-L773 HydrophobicContact CE2-CB 4.03Å; F729-L773 HydrophobicContact CE2-CD1 4.33Å; F729-L773 HydrophobicContact CZ-CD1 4.28Å; F729-L807 HydrophobicContact CD1-CD1 3.97Å; F729-L807 HydrophobicContact CE1-CD1 3.8Å; F729-L807 HydrophobicContact CG-CD1 4.49Å; F729-L807 HydrophobicContact CZ-CD1 4.2Å; F729-Y810 HydrophobicContact CD1-CD2 4.13Å; F729-Y810 HydrophobicContact CD1-CG 4.49Å; F729-Y810 HydrophobicContact CE1-CD2 4.49Å |
| 730 | R | 72.7 | Confident | 64.5 | Low | 72 Ų | 72 | 61.6 Ų | 61.6 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 175.4 | -175.2 | -170 | 76.8 | 68.8 | 0.7 | 111.4 | L726 E727 L732 C733 T734 Y810 | L726-R730 WeakPolarHBondContact O-CB 3.15Å; L726-R730 PolarHBondContact O-N 3.3Å; E727-R730 VanDerWaalsContact CD-NE 3.28Å; E727-R730 WeakPolarHBondContact O-CB 3.48Å; E727-R730 PolarHBondContact O-N 2.95Å; E727-R730 IonicContact OE1-CZ 3.86Å; E727-R730 IonicContact OE1-NE 3.86Å; E727-R730 PolarHBondContact OE1-NE 2.96Å; E727-R730 IonicContact OE1-NH2 3.28Å; E727-R730 PolarHBondContact OE1-NH2 3.32Å; E727-R730 IonicContact OE2-NE 3.69Å; E727-R730 PolarHBondContact OE2-NE 3.44Å; R730-L732 VanDerWaalsContact C-N 3.32Å; R730-L732 PolarHBondContact O-N 3.18Å; R730-C733 PolarHBondContact O-N 3.47Å; R730-T734 HydrophobicContact CG-CG2 4.39Å; R730-T734 WeakPolarHBondContact O-CB 3.44Å; R730-T734 WeakPolarHBondContact O-CG2 3.22Å; R730-T734 PolarHBondContact O-N 3.14Å; R730-T734 PolarHBondContact O-OG1 3.02Å; R730-Y810 HydrophobicContact CB-CD2 4.28Å; R730-Y810 HydrophobicContact CB-CE1 4.44Å; R730-Y810 HydrophobicContact CB-CE2 3.84Å; R730-Y810 VanDerWaalsContact CD-OH 3.27Å; R730-Y810 WeakPolarHBondContact CD-OH 3.29Å; R730-Y810 HydrophobicContact CG-CD1 4.33Å; R730-Y810 HydrophobicContact CG-CE1 3.71Å; R730-Y810 HydrophobicContact CG-CE2 3.93Å; R730-Y810 VanDerWaalsContact CG-CZ 3.49Å |
| 731 | L | 69.2 | Low | 63.4 | Low | 73 Ų | 73 | 60.1 Ų | 60.1 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 178.5 | -73.5 | 166.5 | 0 | 0 | 0 | 111.1 | E727 T728 F729 T735 | E727-L731 WeakPolarHBondContact O-CG 3.45Å; E727-L731 PolarHBondContact O-N 3.11Å; T728-L731 PolarHBondContact O-N 2.95Å; F729-L731 PolarHBondContact O-N 3.3Å; L731-T735 WeakPolarHBondContact O-CB 3.24Å; L731-T735 WeakPolarHBondContact O-CG2 3.38Å; L731-T735 PolarHBondContact O-N 3.14Å; L731-T735 PolarHBondContact O-OG1 2.82Å |
| 732 | L | 66.5 | Low | 62.4 | Low | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.3 | -70.9 | 168.6 | 0 | 0 | 0 | 111.5 | T728 F729 R730 T734 T735 L741 K765 F768 I769 L772 | T728-L732 HydrophobicContact CG2-CD1 4.25Å; T728-L732 WeakPolarHBondContact O-CG 3.23Å; T728-L732 PolarHBondContact O-N 3.12Å; F729-L732 PolarHBondContact O-N 2.87Å; R730-L732 VanDerWaalsContact C-N 3.32Å; R730-L732 PolarHBondContact O-N 3.18Å; L732-T734 PolarHBondContact O-N 2.91Å; L732-T735 PolarHBondContact O-OG1 3.11Å; L732-L741 HydrophobicContact CD2-CD2 4.45Å; L732-K765 WeakPolarHBondContact O-CE 3.45Å; L732-K765 PolarHBondContact O-NZ 3.36Å; L732-F768 HydrophobicContact CD1-CB 4.19Å; L732-I769 HydrophobicContact CB-CD1 4.43Å; L732-I769 HydrophobicContact CB-CG1 3.9Å; L732-I769 HydrophobicContact CD1-CG1 4.47Å; L732-L772 HydrophobicContact CD1-CD2 3.95Å |
| 733 | C | 64.5 | Low | 61.3 | Low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.9 | -34.4 | -179 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | F729 R730 | F729-C733 PolarHBondContact O-N 3.18Å; F729-C733 PolarHBondContact O-SG 3.45Å; F729-C733 VanDerWaalsContact O-SG 3.39Å; R730-C733 PolarHBondContact O-N 3.47Å |
| 734 | T | 65.3 | Low | 60.3 | Low | 54 Ų | 54 | 67.1 Ų | 67.1 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -95.6 | -13.7 | -169.7 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | R730 L732 T736 | R730-T734 HydrophobicContact CG-CG2 4.39Å; R730-T734 WeakPolarHBondContact O-CB 3.44Å; R730-T734 WeakPolarHBondContact O-CG2 3.22Å; R730-T734 PolarHBondContact O-N 3.14Å; R730-T734 PolarHBondContact O-OG1 3.02Å; L732-T734 PolarHBondContact O-N 2.91Å; T734-T736 PolarHBondContact O-N 3.22Å |
| 735 | T | 61.7 | Low | 59.3 | Low | 59 Ų | 59 | 67 Ų | 67 | 36% | 0.362 | 36% | 0.364 | S | S | . | . | trans | -78 | 109.2 | -179.2 | 41.7 | 0 | 0 | 0 | 0 | 111.2 | L731 L732 K765 | L731-T735 WeakPolarHBondContact O-CB 3.24Å; L731-T735 WeakPolarHBondContact O-CG2 3.38Å; L731-T735 PolarHBondContact O-N 3.14Å; L731-T735 PolarHBondContact O-OG1 2.82Å; L732-T735 PolarHBondContact O-OG1 3.11Å; T735-K765 PolarHBondContact O-NZ 3.41Å | ||
| 736 | T | 52 | Low | 58.2 | Low | 111 Ų | 111 | 74 Ų | 74 | 68% | 0.681 | 40% | 0.398 | S | S | * | . | trans | -81.4 | -11.5 | -176.9 | 49 | 0 | 0 | 0 | 0 | 114.1 | T734 | T734-T736 PolarHBondContact O-N 3.22Š| ||
| 737 | N | 51.3 | Low | 57.2 | Low | 125 Ų | 125 | 77 Ų | 77 | 67% | 0.668 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -142.5 | 148.8 | -175.4 | -77.1 | -42.2 | 0 | 0 | 0 | 112.7 | Q739 | N737-Q739 VanDerWaalsContact C-N 3.26Å; N737-Q739 PolarHBondContact O-N 3.24Å |
| 738 | T | 45.3 | Very low | 56 | Low | 117 Ų | 117 | 73.7 Ų | 73.7 | 72% | 0.718 | 40% | 0.399 | S | S | * | . | trans | -50.3 | 64.6 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | E761 | T738-E761 WeakPolarHBondContact CG2-OE2 3.28Š| ||
| 739 | Q | 44.2 | Very low | 55.1 | Low | 170 Ų | 170 | 77 Ų | 77 | 79% | 0.794 | 42% | 0.416 | S | S | * | . | trans | -93.3 | 129.3 | 165.2 | -78 | -176.7 | -29.7 | 0 | 0 | 109.4 | N737 L741 | N737-Q739 VanDerWaalsContact C-N 3.26Å; N737-Q739 PolarHBondContact O-N 3.24Å; Q739-L741 PolarHBondContact O-N 3.22Å | ||
| 740 | D | 48.1 | Very low | 54.1 | Low | 130 Ų | 130 | 78.6 Ų | 78.6 | 70% | 0.695 | 43% | 0.427 | S | S | * | . | trans | -32.3 | 117 | -175.2 | -112.8 | -23.2 | 0 | 0 | 0 | 113.1 | S742 D743 | D740-S742 WeakPolarHBondContact CB-OG 3.43Å; D740-S742 PolarHBondContact O-N 2.91Å; D740-D743 PolarHBondContact O-N 3.45Å | ||
| 741 | L | 52 | Low | 52.9 | Low | 73 Ų | 73 | 76.4 Ų | 76.4 | 38% | 0.382 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -58.1 | -3.4 | 171.7 | -72.2 | 162.7 | 0 | 0 | 0 | 112.8 | L732 Q739 D743 L744 F768 | L732-L741 HydrophobicContact CD2-CD2 4.45Å; Q739-L741 PolarHBondContact O-N 3.22Å; L741-D743 PolarHBondContact O-N 3.18Å; L741-L744 HydrophobicContact CB-CD1 4.06Å; L741-L744 HydrophobicContact CD2-CD1 3.35Å; L741-L744 HydrophobicContact CG-CD1 4.31Å; L741-L744 WeakPolarHBondContact O-CB 3.41Å; L741-L744 PolarHBondContact O-N 3.11Å; L741-F768 HydrophobicContact CD1-CE2 4.17Å |
| 742 | S | 50 | Low | 51.8 | Low | 78 Ų | 78 | 74.2 Ų | 74.2 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -68.3 | -17.3 | 176.5 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | D740 L744 | D740-S742 WeakPolarHBondContact CB-OG 3.43Å; D740-S742 PolarHBondContact O-N 2.91Å; S742-L744 VanDerWaalsContact C-N 3.32Å |
| 743 | D | 49.2 | Very low | 50.7 | Low | 150 Ų | 150 | 77 Ų | 77 | 80% | 0.802 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -84.8 | -1.7 | 174.6 | -74.6 | -22.7 | 0 | 0 | 0 | 113.5 | D740 L741 | D740-D743 PolarHBondContact O-N 3.45Å; L741-D743 PolarHBondContact O-N 3.18Å |
| 744 | L | 51.5 | Low | 49.7 | Very low | 22 Ų | 22 | 80.8 Ų | 80.8 | 12% | 0.115 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -69.5 | 143.6 | 174.1 | -77.7 | 161 | 0 | 0 | 0 | 110.9 | T728 L741 S742 Q746 V748 I749 | T728-L744 HydrophobicContact CG2-CD2 3.59Å; L741-L744 HydrophobicContact CB-CD1 4.06Å; L741-L744 HydrophobicContact CD2-CD1 3.35Å; L741-L744 HydrophobicContact CG-CD1 4.31Å; L741-L744 WeakPolarHBondContact O-CB 3.41Å; L741-L744 PolarHBondContact O-N 3.11Å; S742-L744 VanDerWaalsContact C-N 3.32Å; L744-Q746 PolarHBondContact O-N 2.84Å; L744-V748 HydrophobicContact CB-CB 4.49Å; L744-V748 HydrophobicContact CD2-CG1 4.37Å; L744-I749 HydrophobicContact CB-CD1 4.46Å; L744-I749 HydrophobicContact CB-CG1 4.25Å; L744-I749 WeakPolarHBondContact O-CD1 3.22Å |
| 745 | P | 52.3 | Low | 48.8 | Very low | 49 Ų | 49 | 84 Ų | 84 | 32% | 0.318 | 46% | 0.459 | S | S | . | . | trans | -51.6 | 134.8 | 174.6 | -22 | 30.3 | 0 | 0 | 0 | 110.6 | N747 V748 I749 | P745-N747 PolarHBondContact O-N 3.47Å; P745-V748 HydrophobicContact CB-CG2 4.29Å; P745-V748 HydrophobicContact CG-CG2 4.35Å; P745-V748 WeakPolarHBondContact O-CB 3.21Å; P745-V748 PolarHBondContact O-N 3.42Å; P745-I749 PolarHBondContact O-N 2.82Å | ||
| 746 | Q | 48.3 | Very low | 47.7 | Very low | 164 Ų | 164 | 88.1 Ų | 88.1 | 77% | 0.766 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -50.7 | -29 | -178.1 | -81.2 | -175.7 | -17.7 | 0 | 0 | 113.3 | L744 V748 I749 S750 | L744-Q746 PolarHBondContact O-N 2.84Å; Q746-V748 VanDerWaalsContact C-N 3.27Å; Q746-V748 PolarHBondContact O-N 3.16Å; Q746-I749 PolarHBondContact O-N 2.91Å; Q746-I749 VanDerWaalsContact O-N 3.14Å; Q746-S750 PolarHBondContact O-N 3.11Å |
| 747 | N | 47.1 | Very low | 47.1 | Very low | 69 Ų | 69 | 85.6 Ų | 85.6 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 176.8 | -48.2 | 9.5 | 0 | 0 | 0 | 111.5 | P745 S750 | P745-N747 PolarHBondContact O-N 3.47Å; N747-S750 PolarHBondContact O-OG 2.83Å |
| 748 | V | 47.5 | Very low | 46.7 | Very low | 18 Ų | 18 | 90.1 Ų | 90.1 | 11% | 0.109 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -76.1 | -33.8 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 111 | T728 L744 P745 Q746 | T728-V748 HydrophobicContact CG2-CB 4.4Å; T728-V748 HydrophobicContact CG2-CG1 4.02Å; T728-V748 HydrophobicContact CG2-CG2 3.6Å; L744-V748 HydrophobicContact CB-CB 4.49Å; L744-V748 HydrophobicContact CD2-CG1 4.37Å; P745-V748 HydrophobicContact CB-CG2 4.29Å; P745-V748 HydrophobicContact CG-CG2 4.35Å; P745-V748 WeakPolarHBondContact O-CB 3.21Å; P745-V748 PolarHBondContact O-N 3.42Å; Q746-V748 VanDerWaalsContact C-N 3.27Å; Q746-V748 PolarHBondContact O-N 3.16Å |
| 749 | I | 48.4 | Very low | 46.7 | Very low | 75 Ų | 75 | 89.9 Ų | 89.9 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71 | -33.1 | 178.3 | -61.4 | 173.4 | 0 | 0 | 0 | 111.2 | L744 P745 Q746 I751 C752 S753 | L744-I749 HydrophobicContact CB-CD1 4.46Å; L744-I749 HydrophobicContact CB-CG1 4.25Å; L744-I749 WeakPolarHBondContact O-CD1 3.22Å; P745-I749 PolarHBondContact O-N 2.82Å; Q746-I749 PolarHBondContact O-N 2.91Å; Q746-I749 VanDerWaalsContact O-N 3.14Å; I749-I751 PolarHBondContact O-N 3.38Å; I749-C752 PolarHBondContact O-N 2.88Å; I749-C752 VanDerWaalsContact O-N 3.09Å; I749-S753 PolarHBondContact O-N 2.85Å |
| 750 | S | 48.4 | Very low | 47.2 | Very low | 32 Ų | 32 | 88.1 Ų | 88.1 | 22% | 0.224 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | -180 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | Q746 N747 C752 S753 | Q746-S750 PolarHBondContact O-N 3.11Å; N747-S750 PolarHBondContact O-OG 2.83Å; S750-C752 PolarHBondContact O-N 3.43Å; S750-C752 VanDerWaalsContact O-N 3.09Å; S750-S753 PolarHBondContact O-N 3.32Å; S750-S753 PolarHBondContact O-OG 3.41Å |
| 751 | I | 47.4 | Very low | 47.5 | Very low | 27 Ų | 27 | 87.8 Ų | 87.8 | 14% | 0.138 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.6 | 176.9 | -58.7 | 165.2 | 0 | 0 | 0 | 111.3 | Y692 I749 I771 | Y692-I751 HydrophobicContact CD2-CD1 4.32Å; Y692-I751 HydrophobicContact CD2-CG1 4.4Å; Y692-I751 HydrophobicContact CE1-CD1 3.89Å; Y692-I751 HydrophobicContact CE2-CD1 3.62Å; Y692-I751 HydrophobicContact CE2-CG1 4.09Å; Y692-I751 WeakPolarHBondContact OH-CD1 3.32Å; I749-I751 PolarHBondContact O-N 3.38Å; I751-I771 HydrophobicContact CG2-CG2 4.04Å |
| 752 | C | 46.1 | Very low | 47.6 | Very low | 26 Ų | 26 | 89.6 Ų | 89.6 | 18% | 0.176 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 1.8 | -170.9 | -64.2 | 0 | 0 | 0 | 0 | 114.6 | I749 S750 Q754 F755 F768 | I749-C752 PolarHBondContact O-N 2.88Å; I749-C752 VanDerWaalsContact O-N 3.09Å; S750-C752 PolarHBondContact O-N 3.43Å; S750-C752 VanDerWaalsContact O-N 3.09Å; C752-Q754 PolarHBondContact O-N 3.31Å; C752-Q754 VanDerWaalsContact O-N 3.09Å; C752-F755 PolarHBondContact O-N 2.81Å; C752-F755 VanDerWaalsContact O-N 3.1Å; C752-F768 HydrophobicContact CB-CE1 3.82Å; C752-F768 HydrophobicContact CB-CZ 3.87Å; C752-F768 WeakPolarHBondContact SG-CE1 3.43Å |
| 753 | S | 44 | Very low | 48 | Very low | 68 Ų | 68 | 88.6 Ų | 88.6 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.8 | 179.2 | 63.2 | 0 | 0 | 0 | 0 | 114 | K685 I749 S750 | K685-S753 PolarHBondContact O-OG 3.29Å; I749-S753 PolarHBondContact O-N 2.85Å; S750-S753 PolarHBondContact O-N 3.32Å; S750-S753 PolarHBondContact O-OG 3.41Å |
| 754 | Q | 44.5 | Very low | 48.6 | Very low | 79 Ų | 79 | 85.4 Ų | 85.4 | 37% | 0.369 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.3 | 175.3 | -68.3 | -174.7 | -21.2 | 0 | 0 | 114.8 | L686 C752 | L686-Q754 HydrophobicContact CD2-CG 3.31Å; C752-Q754 PolarHBondContact O-N 3.31Å; C752-Q754 VanDerWaalsContact O-N 3.09Å |
| 755 | F | 45 | Very low | 49.2 | Very low | 123 Ų | 123 | 86 Ų | 86 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | trans | -111.2 | 81.2 | -175.1 | -68.9 | -76.4 | 0 | 0 | 0 | 113 | C752 C757 | C752-F755 PolarHBondContact O-N 2.81Å; C752-F755 VanDerWaalsContact O-N 3.1Å; F755-C757 PolarHBondContact O-N 3.48Å | ||
| 756 | T | 39 | Very low | 49.7 | Very low | 145 Ų | 145 | 83.9 Ų | 83.9 | 89% | 0.89 | 43% | 0.429 | S | S | * | . | trans | -75 | 56.3 | 160.5 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 757 | C | 40.4 | Very low | 50.4 | Low | 58 Ų | 58 | 79.9 Ų | 79.9 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | trans | -104.6 | 121.6 | -178.8 | -143.8 | 0 | 0 | 0 | 0 | 111.7 | F755 Q759 K764 | F755-C757 PolarHBondContact O-N 3.48Å; C757-Q759 PolarHBondContact O-N 3.23Å; C757-K764 WeakPolarHBondContact O-CE 3.45Å | ||
| 758 | K | 42 | Very low | 51.3 | Low | 220 Ų | 220 | 78.2 Ų | 78.2 | 96% | 0.957 | 40% | 0.4 | S | S | * | . | trans | -72.6 | 39.4 | 176.5 | -74.6 | -178.5 | 173.1 | 175.9 | 0 | 113.1 | ||||
| 759 | Q | 46.3 | Very low | 52.3 | Low | 112 Ų | 112 | 77.4 Ų | 77.4 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | trans | -94 | 149.1 | -178.1 | -73.8 | -179.7 | -11.4 | 0 | 0 | 112.5 | C757 K764 | C757-Q759 PolarHBondContact O-N 3.23Å; Q759-K764 WeakPolarHBondContact O-CE 3.21Å | ||
| 760 | N | 53.5 | Low | 53.3 | Low | 132 Ų | 132 | 74.5 Ų | 74.5 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | trans | -45.5 | 138 | 178.2 | -92.6 | -15.8 | 0 | 0 | 0 | 112.2 | I762 N763 K764 | N760-I762 PolarHBondContact O-N 3.41Å; N760-I762 VanDerWaalsContact O-N 3.1Å; N760-N763 WeakPolarHBondContact O-CB 3.11Å; N760-N763 PolarHBondContact O-N 3.21Å; N760-K764 PolarHBondContact O-N 2.93Å | ||
| 761 | E | 54.9 | Low | 54.2 | Low | 123 Ų | 123 | 74 Ų | 74 | 58% | 0.575 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -56.5 | -30.8 | -175.1 | -67.7 | -168.4 | 158.9 | 0 | 0 | 114.2 | T738 N763 K764 K765 | T738-E761 WeakPolarHBondContact CG2-OE2 3.28Å; E761-N763 PolarHBondContact O-N 3.48Å; E761-K764 WeakPolarHBondContact O-CB 3.46Å; E761-K764 PolarHBondContact O-N 3.17Å; E761-K765 PolarHBondContact O-N 3.4Å |
| 762 | I | 53.5 | Low | 55.3 | Low | 111 Ų | 111 | 73.1 Ų | 73.1 | 57% | 0.569 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | 174.6 | -62 | 173.3 | 0 | 0 | 0 | 111.2 | N760 K764 K765 S766 | N760-I762 PolarHBondContact O-N 3.41Å; N760-I762 VanDerWaalsContact O-N 3.1Å; I762-K764 VanDerWaalsContact C-N 3.35Å; I762-K765 PolarHBondContact O-N 2.88Å; I762-S766 WeakPolarHBondContact O-CB 3.48Å; I762-S766 PolarHBondContact O-N 3.5Å |
| 763 | N | 59.3 | Low | 56.6 | Low | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 177.7 | -70.8 | -5.8 | 0 | 0 | 0 | 111.1 | N760 E761 S766 H767 Q822 | N760-N763 WeakPolarHBondContact O-CB 3.11Å; N760-N763 PolarHBondContact O-N 3.21Å; E761-N763 PolarHBondContact O-N 3.48Å; N763-S766 PolarHBondContact O-N 2.66Å; N763-H767 VanDerWaalsContact O-CB 3.32Å; N763-H767 WeakPolarHBondContact O-CB 3.12Å; N763-H767 PolarHBondContact O-N 2.8Å; N763-Q822 PolarHBondContact OD1-NE2 3.16Å |
| 764 | K | 61.9 | Low | 58 | Low | 82 Ų | 82 | 68.9 Ų | 68.9 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -55.7 | 174.3 | -67.8 | -174.5 | 178.4 | -177.8 | 0 | 110.4 | C757 Q759 N760 E761 I762 S766 H767 F768 | C757-K764 WeakPolarHBondContact O-CE 3.45Å; Q759-K764 WeakPolarHBondContact O-CE 3.21Å; N760-K764 PolarHBondContact O-N 2.93Å; E761-K764 WeakPolarHBondContact O-CB 3.46Å; E761-K764 PolarHBondContact O-N 3.17Å; I762-K764 VanDerWaalsContact C-N 3.35Å; K764-S766 PolarHBondContact O-N 2.81Å; K764-H767 PolarHBondContact O-N 3.05Å; K764-H767 VanDerWaalsContact O-N 3.14Å; K764-F768 HydrophobicContact CB-CD2 4.35Å; K764-F768 HydrophobicContact CB-CE2 4.27Å; K764-F768 WeakPolarHBondContact O-CD2 3.22Å; K764-F768 PolarHBondContact O-N 2.97Å |
| 765 | K | 64.1 | Low | 59.3 | Low | 36 Ų | 36 | 65.1 Ų | 65.1 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.7 | -45.2 | -179.6 | -174.2 | -178.8 | -178.9 | -172.1 | 0 | 111.6 | L732 T735 E761 I762 F768 I769 | L732-K765 WeakPolarHBondContact O-CE 3.45Å; L732-K765 PolarHBondContact O-NZ 3.36Å; T735-K765 PolarHBondContact O-NZ 3.41Å; E761-K765 PolarHBondContact O-N 3.4Å; I762-K765 PolarHBondContact O-N 2.88Å; K765-F768 WeakPolarHBondContact O-CB 3.42Å; K765-F768 PolarHBondContact O-N 2.8Å; K765-I769 HydrophobicContact CG-CD1 4.27Å; K765-I769 VanDerWaalsContact O-CG1 3.29Å; K765-I769 WeakPolarHBondContact O-CG1 3.41Å; K765-I769 PolarHBondContact O-N 2.61Å |
| 766 | S | 62.4 | Low | 60.8 | Low | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 179.8 | -172.7 | 0 | 0 | 0 | 0 | 113.3 | I762 N763 K764 F768 I769 T770 Q822 Y826 | I762-S766 WeakPolarHBondContact O-CB 3.48Å; I762-S766 PolarHBondContact O-N 3.5Å; N763-S766 PolarHBondContact O-N 2.66Å; K764-S766 PolarHBondContact O-N 2.81Å; S766-F768 VanDerWaalsContact C-N 3.33Å; S766-F768 PolarHBondContact O-N 2.88Å; S766-I769 WeakPolarHBondContact O-CB 3.38Å; S766-I769 PolarHBondContact O-N 3.37Å; S766-I769 VanDerWaalsContact O-N 3.17Å; S766-T770 PolarHBondContact O-N 3.37Å; S766-T770 PolarHBondContact O-OG1 3.37Å; S766-Q822 PolarHBondContact OG-OE1 2.9Å; S766-Y826 VanDerWaalsContact CA-OH 3.23Å; S766-Y826 WeakPolarHBondContact CA-OH 3.23Å; S766-Y826 WeakPolarHBondContact CB-OH 3.49Å; S766-Y826 WeakPolarHBondContact OG-CE2 3.48Å; S766-Y826 PolarHBondContact OG-OH 2.96Å |
| 767 | H | 63.4 | Low | 62.7 | Low | 80 Ų | 80 | 52.5 Ų | 52.5 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.9 | -166.5 | 73.4 | 0 | 0 | 0 | 112.4 | N763 K764 T770 I771 | N763-H767 VanDerWaalsContact O-CB 3.32Å; N763-H767 WeakPolarHBondContact O-CB 3.12Å; N763-H767 PolarHBondContact O-N 2.8Å; K764-H767 PolarHBondContact O-N 3.05Å; K764-H767 VanDerWaalsContact O-N 3.14Å; H767-T770 WeakPolarHBondContact O-CB 3.46Å; H767-T770 PolarHBondContact O-N 3.21Å; H767-I771 WeakPolarHBondContact O-CG1 3.2Å; H767-I771 PolarHBondContact O-N 3Å |
| 768 | F | 66.2 | Low | 64.5 | Low | 35 Ų | 35 | 51.8 Ų | 51.8 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 172.4 | -84.5 | -75.9 | 0 | 0 | 0 | 112.2 | L732 L741 C752 K764 K765 S766 T770 I771 L772 | L732-F768 HydrophobicContact CD1-CB 4.19Å; L741-F768 HydrophobicContact CD1-CE2 4.17Å; C752-F768 HydrophobicContact CB-CE1 3.82Å; C752-F768 HydrophobicContact CB-CZ 3.87Å; C752-F768 WeakPolarHBondContact SG-CE1 3.43Å; K764-F768 HydrophobicContact CB-CD2 4.35Å; K764-F768 HydrophobicContact CB-CE2 4.27Å; K764-F768 WeakPolarHBondContact O-CD2 3.22Å; K764-F768 PolarHBondContact O-N 2.97Å; K765-F768 WeakPolarHBondContact O-CB 3.42Å; K765-F768 PolarHBondContact O-N 2.8Å; S766-F768 VanDerWaalsContact C-N 3.33Å; S766-F768 PolarHBondContact O-N 2.88Å; F768-T770 VanDerWaalsContact C-N 3.32Å; F768-T770 PolarHBondContact O-N 3.24Å; F768-I771 PolarHBondContact O-N 3.02Å; F768-L772 VanDerWaalsContact O-CB 3.31Å; F768-L772 WeakPolarHBondContact O-CB 3.4Å; F768-L772 PolarHBondContact O-N 3.4Å |
| 769 | I | 68.1 | Low | 66.4 | Low | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 176.5 | -67.1 | 167.9 | 0 | 0 | 0 | 109.8 | F729 L732 K765 S766 L772 L773 Y826 | F729-I769 HydrophobicContact CD2-CG2 4.33Å; F729-I769 HydrophobicContact CE2-CG2 3.55Å; F729-I769 HydrophobicContact CZ-CG2 4.18Å; L732-I769 HydrophobicContact CB-CD1 4.43Å; L732-I769 HydrophobicContact CB-CG1 3.9Å; L732-I769 HydrophobicContact CD1-CG1 4.47Å; K765-I769 HydrophobicContact CG-CD1 4.27Å; K765-I769 VanDerWaalsContact O-CG1 3.29Å; K765-I769 WeakPolarHBondContact O-CG1 3.41Å; K765-I769 PolarHBondContact O-N 2.61Å; S766-I769 WeakPolarHBondContact O-CB 3.38Å; S766-I769 PolarHBondContact O-N 3.37Å; S766-I769 VanDerWaalsContact O-N 3.17Å; I769-L772 PolarHBondContact O-N 3.1Å; I769-L773 WeakPolarHBondContact O-CB 3.11Å; I769-L773 PolarHBondContact O-N 2.93Å; I769-Y826 HydrophobicContact CB-CE1 4.3Å; I769-Y826 HydrophobicContact CG2-CE1 3.69Å |
| 770 | T | 69 | Low | 68 | Low | 15 Ų | 15 | 36.7 Ų | 36.7 | 9% | 0.092 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 177.3 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | S766 H767 F768 G774 Q829 | S766-T770 PolarHBondContact O-N 3.37Å; S766-T770 PolarHBondContact O-OG1 3.37Å; H767-T770 WeakPolarHBondContact O-CB 3.46Å; H767-T770 PolarHBondContact O-N 3.21Å; F768-T770 VanDerWaalsContact C-N 3.32Å; F768-T770 PolarHBondContact O-N 3.24Å; T770-G774 PolarHBondContact O-N 2.76Å; T770-Q829 HydrophobicContact CG2-CG 3.8Å |
| 771 | I | 66.7 | Low | 69.1 | Low | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.108 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 177.7 | -73.5 | 170.4 | 0 | 0 | 0 | 110.7 | I751 H767 F768 G774 S775 | I751-I771 HydrophobicContact CG2-CG2 4.04Å; H767-I771 WeakPolarHBondContact O-CG1 3.2Å; H767-I771 PolarHBondContact O-N 3Å; F768-I771 PolarHBondContact O-N 3.02Å; I771-G774 PolarHBondContact O-N 2.8Å; I771-S775 PolarHBondContact O-N 2.92Å |
| 772 | L | 70.9 | Confident | 70.1 | Confident | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68 | -42.7 | -176.5 | -168.4 | 66.2 | 0 | 0 | 0 | 111.1 | R725 T728 F729 L732 F768 I769 S775 V776 | R725-L772 HydrophobicContact CB-CD1 4.18Å; R725-L772 HydrophobicContact CG-CD1 4.35Å; T728-L772 HydrophobicContact CG2-CD2 3.9Å; F729-L772 VanDerWaalsContact CA-CD2 3.44Å; F729-L772 HydrophobicContact CB-CD2 3.52Å; F729-L772 HydrophobicContact CB-CG 4.31Å; F729-L772 HydrophobicContact CD2-CB 4.47Å; F729-L772 HydrophobicContact CD2-CD2 4.04Å; F729-L772 HydrophobicContact CD2-CG 4.37Å; F729-L772 HydrophobicContact CG-CD2 4.3Å; F729-L772 VanDerWaalsContact N-CD2 3.34Å; L732-L772 HydrophobicContact CD1-CD2 3.95Å; F768-L772 VanDerWaalsContact O-CB 3.31Å; F768-L772 WeakPolarHBondContact O-CB 3.4Å; F768-L772 PolarHBondContact O-N 3.4Å; I769-L772 PolarHBondContact O-N 3.1Å; L772-S775 PolarHBondContact O-N 3.37Å; L772-S775 PolarHBondContact O-OG 3.26Å; L772-V776 WeakPolarHBondContact O-CG2 3.27Å; L772-V776 PolarHBondContact O-N 3.23Å; L772-V776 VanDerWaalsContact O-N 3.08Å |
| 773 | L | 73.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.9 | -176.2 | 58.8 | 0 | 0 | 0 | 111.1 | F729 I769 S775 V776 I777 L807 L811 Q829 | F729-L773 HydrophobicContact CE2-CB 4.03Å; F729-L773 HydrophobicContact CE2-CD1 4.33Å; F729-L773 HydrophobicContact CZ-CD1 4.28Å; I769-L773 WeakPolarHBondContact O-CB 3.11Å; I769-L773 PolarHBondContact O-N 2.93Å; L773-S775 VanDerWaalsContact C-N 3.29Å; L773-S775 PolarHBondContact O-N 3.47Å; L773-V776 PolarHBondContact O-N 3.39Å; L773-V776 VanDerWaalsContact O-N 3.16Å; L773-I777 HydrophobicContact CD1-CD1 4.08Å; L773-I777 HydrophobicContact CD1-CG1 4.31Å; L773-I777 HydrophobicContact CD2-CD1 4.5Å; L773-I777 HydrophobicContact CG-CD1 3.73Å; L773-I777 HydrophobicContact CG-CG1 4.41Å; L773-I777 WeakPolarHBondContact O-CB 3.22Å; L773-I777 WeakPolarHBondContact O-CD1 3.44Å; L773-I777 VanDerWaalsContact O-CG1 3.23Å; L773-I777 WeakPolarHBondContact O-CG1 3.46Å; L773-I777 PolarHBondContact O-N 3.46Å; L773-L807 HydrophobicContact CD1-CD1 3.96Å; L773-L807 HydrophobicContact CD1-CD2 3.9Å; L773-L807 HydrophobicContact CD1-CG 4.08Å; L773-L811 HydrophobicContact CD2-CD1 3.8Å; L773-L811 HydrophobicContact CD2-CD2 4.26Å; L773-Q829 HydrophobicContact CD2-CB 3.42Å; L773-Q829 VanDerWaalsContact CD2-CB 3.42Å; L773-Q829 HydrophobicContact CD2-CG 4.24Å; L773-Q829 HydrophobicContact CG-CB 3.95Å |
| 774 | G | 74.2 | Confident | 71.9 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.6 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T770 I771 V776 I777 Q778 | T770-G774 PolarHBondContact O-N 2.76Å; I771-G774 PolarHBondContact O-N 2.8Å; G774-V776 PolarHBondContact O-N 3.02Å; G774-I777 PolarHBondContact O-N 3.43Å; G774-Q778 WeakPolarHBondContact O-CB 3.12Å; G774-Q778 WeakPolarHBondContact O-CG 3.46Å; G774-Q778 PolarHBondContact O-N 3.44Å |
| 775 | S | 72.1 | Confident | 72.3 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 177.7 | 82.5 | 0 | 0 | 0 | 0 | 113.8 | S696 I771 L772 L773 M779 | S696-S775 WeakPolarHBondContact CB-O 3.42Å; I771-S775 PolarHBondContact O-N 2.92Å; L772-S775 PolarHBondContact O-N 3.37Å; L772-S775 PolarHBondContact O-OG 3.26Å; L773-S775 VanDerWaalsContact C-N 3.29Å; L773-S775 PolarHBondContact O-N 3.47Å; S775-M779 PolarHBondContact O-N 3.4Å |
| 776 | V | 76.6 | Confident | 72.5 | Confident | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.1 | -42.8 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L772 L773 G774 M779 F780 L807 | L772-V776 WeakPolarHBondContact O-CG2 3.27Å; L772-V776 PolarHBondContact O-N 3.23Å; L772-V776 VanDerWaalsContact O-N 3.08Å; L773-V776 PolarHBondContact O-N 3.39Å; L773-V776 VanDerWaalsContact O-N 3.16Å; G774-V776 PolarHBondContact O-N 3.02Å; V776-M779 WeakPolarHBondContact O-CB 3.25Å; V776-M779 PolarHBondContact O-N 2.77Å; V776-F780 HydrophobicContact CG1-CD2 3.8Å; V776-F780 HydrophobicContact CG1-CE2 3.48Å; V776-F780 VanDerWaalsContact CG1-CE2 3.48Å; V776-F780 WeakPolarHBondContact O-CD2 3.48Å; V776-F780 PolarHBondContact O-N 2.96Å; V776-F780 VanDerWaalsContact O-N 3.09Å; V776-L807 HydrophobicContact CG1-CD1 4.08Å; V776-L807 HydrophobicContact CG1-CD2 4.03Å |
| 777 | I | 77.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 176.2 | -69 | 164.2 | 0 | 0 | 0 | 110.6 | L773 G774 M779 F780 D781 Q829 K832 L833 V836 | L773-I777 HydrophobicContact CD1-CD1 4.08Å; L773-I777 HydrophobicContact CD1-CG1 4.31Å; L773-I777 HydrophobicContact CD2-CD1 4.5Å; L773-I777 HydrophobicContact CG-CD1 3.73Å; L773-I777 HydrophobicContact CG-CG1 4.41Å; L773-I777 WeakPolarHBondContact O-CB 3.22Å; L773-I777 WeakPolarHBondContact O-CD1 3.44Å; L773-I777 VanDerWaalsContact O-CG1 3.23Å; L773-I777 WeakPolarHBondContact O-CG1 3.46Å; L773-I777 PolarHBondContact O-N 3.46Å; G774-I777 PolarHBondContact O-N 3.43Å; I777-M779 PolarHBondContact O-N 3.05Å; I777-F780 CarbonylContact O-C 3.47Å; I777-F780 PolarHBondContact O-N 3.32Å; I777-D781 PolarHBondContact O-N 3.42Å; I777-Q829 HydrophobicContact CD1-CB 4.04Å; I777-Q829 WeakPolarHBondContact CD1-O 3.46Å; I777-K832 HydrophobicContact CD1-CB 4.22Å; I777-K832 HydrophobicContact CG2-CB 3.7Å; I777-L833 HydrophobicContact CD1-CB 3.99Å; I777-L833 HydrophobicContact CG1-CB 4.04Å; I777-L833 HydrophobicContact CG1-CD1 4.17Å; I777-V836 HydrophobicContact CG2-CG2 4.38Å |
| 778 | Q | 79.6 | Confident | 71.4 | Confident | 43 Ų | 43 | 25.5 Ų | 25.5 | 20% | 0.201 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -35.1 | 178.4 | -72.4 | -64.3 | -60.2 | 0 | 0 | 112.2 | N693 Y697 G774 D781 G782 | N693-Q778 HydrophobicContact CB-CG 3.86Å; N693-Q778 WeakPolarHBondContact O-CB 3.39Å; Y697-Q778 VanDerWaalsContact CA-O 3.22Å; Y697-Q778 WeakPolarHBondContact CA-O 3.2Å; Y697-Q778 WeakPolarHBondContact CD2-O 3.47Å; G774-Q778 WeakPolarHBondContact O-CB 3.12Å; G774-Q778 WeakPolarHBondContact O-CG 3.46Å; G774-Q778 PolarHBondContact O-N 3.44Å; Q778-D781 PolarHBondContact NE2-OD2 3.44Å; Q778-D781 VanDerWaalsContact NE2-OD2 3.11Å; Q778-D781 WeakPolarHBondContact O-CB 3.45Å; Q778-D781 PolarHBondContact O-N 3.31Å; Q778-G782 PolarHBondContact O-N 2.95Å |
| 779 | M | 80.8 | Confident | 70.1 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 174.1 | -165.3 | 179.4 | -57.8 | 0 | 0 | 112.7 | S696 I699 G700 L703 L722 S775 V776 I777 G782 F783 | S696-M779 WeakPolarHBondContact O-CA 3.48Å; S696-M779 WeakPolarHBondContact O-CB 3.27Å; S696-M779 WeakPolarHBondContact O-CG 3.11Å; I699-M779 HydrophobicContact CB-CE 4.24Å; I699-M779 HydrophobicContact CB-CG 4.47Å; I699-M779 HydrophobicContact CG2-CE 3.58Å; I699-M779 HydrophobicContact CG2-CG 4.03Å; I699-M779 HydrophobicContact CG2-SD 3.58Å; I699-M779 VanDerWaalsContact CG2-SD 3.58Å; G700-M779 WeakPolarHBondContact CA-O 3.21Å; L703-M779 HydrophobicContact CD1-CG 4.21Å; L703-M779 HydrophobicContact CD1-SD 3.79Å; L722-M779 HydrophobicContact CD1-SD 3.63Å; L722-M779 HydrophobicContact CD2-CE 4.07Å; L722-M779 HydrophobicContact CD2-SD 3.24Å; L722-M779 WeakPolarHBondContact CD2-SD 3.3Å; L722-M779 HydrophobicContact CG-CE 4.1Å; L722-M779 HydrophobicContact CG-SD 3.23Å; L722-M779 WeakPolarHBondContact CG-SD 3.33Å; S775-M779 PolarHBondContact O-N 3.4Å; V776-M779 WeakPolarHBondContact O-CB 3.25Å; V776-M779 PolarHBondContact O-N 2.77Å; I777-M779 PolarHBondContact O-N 3.05Å; M779-G782 PolarHBondContact O-N 3.1Å; M779-F783 PolarHBondContact O-N 3.03Å |
| 780 | F | 79.1 | Confident | 68.7 | Low | 12 Ų | 12 | 36.8 Ų | 36.8 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.3 | -36.4 | 174.4 | -72 | -71.3 | 0 | 0 | 0 | 112.4 | V776 I777 G782 F783 I784 I800 I803 L804 V836 I840 | V776-F780 HydrophobicContact CG1-CD2 3.8Å; V776-F780 HydrophobicContact CG1-CE2 3.48Å; V776-F780 VanDerWaalsContact CG1-CE2 3.48Å; V776-F780 WeakPolarHBondContact O-CD2 3.48Å; V776-F780 PolarHBondContact O-N 2.96Å; V776-F780 VanDerWaalsContact O-N 3.09Å; I777-F780 CarbonylContact O-C 3.47Å; I777-F780 PolarHBondContact O-N 3.32Å; F780-G782 VanDerWaalsContact C-N 3.28Å; F780-G782 PolarHBondContact O-N 3.4Å; F780-F783 WeakPolarHBondContact O-CB 3.43Å; F780-F783 PolarHBondContact O-N 2.67Å; F780-F783 VanDerWaalsContact O-N 3.11Å; F780-I784 WeakPolarHBondContact O-CG1 3.41Å; F780-I784 PolarHBondContact O-N 3Å; F780-I800 HydrophobicContact CD1-CG2 4.35Å; F780-I800 HydrophobicContact CE1-CG2 3.8Å; F780-I803 HydrophobicContact CE2-CG2 4.16Å; F780-I803 HydrophobicContact CZ-CB 4.15Å; F780-I803 HydrophobicContact CZ-CG2 3.64Å; F780-L804 HydrophobicContact CD1-CD2 4.1Å; F780-L804 HydrophobicContact CD1-CG 4.33Å; F780-L804 HydrophobicContact CD2-CD2 3.88Å; F780-L804 HydrophobicContact CE1-CD1 4.1Å; F780-L804 HydrophobicContact CE1-CD2 3.79Å; F780-L804 HydrophobicContact CE1-CG 3.66Å; F780-L804 HydrophobicContact CE2-CD2 3.55Å; F780-L804 HydrophobicContact CE2-CG 4.12Å; F780-L804 HydrophobicContact CG-CD2 4.15Å; F780-L804 HydrophobicContact CZ-CD1 4.46Å; F780-L804 HydrophobicContact CZ-CD2 3.51Å; F780-L804 HydrophobicContact CZ-CG 3.54Å; F780-V836 VanDerWaalsContact C-CG1 3.42Å; F780-V836 HydrophobicContact CB-CB 4.42Å; F780-V836 HydrophobicContact CB-CG1 3.18Å; F780-V836 HydrophobicContact CG-CG1 4.32Å; F780-I840 HydrophobicContact CD1-CD1 4.18Å |
| 781 | D | 77.3 | Confident | 67.5 | Low | 45 Ų | 45 | 42.6 Ų | 42.6 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.5 | -48.1 | 170.2 | -86.9 | -44.5 | 0 | 0 | 0 | 110.3 | Y697 I777 Q778 F783 I784 S785 V836 | Y697-D781 HydrophobicContact CD2-CB 3.8Å; Y697-D781 HydrophobicContact CE2-CB 3.78Å; I777-D781 PolarHBondContact O-N 3.42Å; Q778-D781 PolarHBondContact NE2-OD2 3.44Å; Q778-D781 VanDerWaalsContact NE2-OD2 3.11Å; Q778-D781 WeakPolarHBondContact O-CB 3.45Å; Q778-D781 PolarHBondContact O-N 3.31Å; D781-F783 VanDerWaalsContact C-N 3.34Å; D781-F783 PolarHBondContact O-N 3.39Å; D781-I784 PolarHBondContact O-N 3.1Å; D781-S785 VanDerWaalsContact O-CB 3.26Å; D781-S785 WeakPolarHBondContact O-CB 3.47Å; D781-S785 PolarHBondContact O-N 3.38Å; D781-V836 HydrophobicContact CB-CG2 4.4Å; D781-V836 WeakPolarHBondContact OD1-CG2 3.36Å |
| 782 | G | 75.8 | Confident | 66.2 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y697 M701 Q778 M779 F780 I784 S785 | Y697-G782 WeakPolarHBondContact O-CA 3.4Å; M701-G782 WeakPolarHBondContact CG-O 3.47Å; Q778-G782 PolarHBondContact O-N 2.95Å; M779-G782 PolarHBondContact O-N 3.1Å; F780-G782 VanDerWaalsContact C-N 3.28Å; F780-G782 PolarHBondContact O-N 3.4Å; G782-I784 VanDerWaalsContact C-N 3.33Å; G782-I784 PolarHBondContact O-N 3.34Å; G782-S785 PolarHBondContact O-N 3.21Å; G782-S785 PolarHBondContact O-OG 3.32Å |
| 783 | F | 76.8 | Confident | 65.1 | Low | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | 178.7 | -174 | -89.6 | 0 | 0 | 0 | 112.7 | G700 L703 Y704 M779 F780 D781 I794 I800 | G700-F783 WeakPolarHBondContact O-CA 3.35Å; L703-F783 HydrophobicContact CB-CD2 4.22Å; Y704-F783 HydrophobicContact CD2-CD1 4.4Å; Y704-F783 HydrophobicContact CD2-CD2 4.34Å; Y704-F783 AromaticContact CD2-CE1 3.96Å; Y704-F783 HydrophobicContact CD2-CE1 3.96Å; Y704-F783 AromaticContact CD2-CE2 3.9Å; Y704-F783 HydrophobicContact CD2-CE2 3.9Å; Y704-F783 AromaticContact CD2-CZ 3.68Å; Y704-F783 HydrophobicContact CD2-CZ 3.68Å; Y704-F783 HydrophobicContact CG-CE2 4.33Å; M779-F783 PolarHBondContact O-N 3.03Å; F780-F783 WeakPolarHBondContact O-CB 3.43Å; F780-F783 PolarHBondContact O-N 2.67Å; F780-F783 VanDerWaalsContact O-N 3.11Å; D781-F783 VanDerWaalsContact C-N 3.34Å; D781-F783 PolarHBondContact O-N 3.39Å; F783-I794 HydrophobicContact CE1-CG2 4.37Å; F783-I800 HydrophobicContact CD1-CD1 4.38Å; F783-I800 HydrophobicContact CD2-CD1 4.17Å; F783-I800 HydrophobicContact CE1-CD1 3.66Å; F783-I800 HydrophobicContact CE2-CD1 3.41Å; F783-I800 VanDerWaalsContact CE2-CD1 3.41Å; F783-I800 HydrophobicContact CZ-CD1 3.11Å |
| 784 | I | 73.2 | Confident | 64.1 | Low | 51 Ų | 51 | 52 Ų | 52 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -80.6 | -28.7 | 179.5 | -59.1 | 176.9 | 0 | 0 | 0 | 112.1 | F780 D781 G782 V786 V836 P839 I840 | F780-I784 WeakPolarHBondContact O-CG1 3.41Å; F780-I784 PolarHBondContact O-N 3Å; D781-I784 PolarHBondContact O-N 3.1Å; G782-I784 VanDerWaalsContact C-N 3.33Å; G782-I784 PolarHBondContact O-N 3.34Å; I784-V786 PolarHBondContact O-N 2.94Å; I784-V786 VanDerWaalsContact O-N 3.13Å; I784-V836 HydrophobicContact CD1-CB 4.19Å; I784-V836 HydrophobicContact CD1-CG1 3.43Å; I784-V836 VanDerWaalsContact CD1-CG1 3.43Å; I784-V836 WeakPolarHBondContact CD1-O 3.45Å; I784-V836 HydrophobicContact CG1-CG1 4.33Å; I784-P839 HydrophobicContact CD1-CB 4.47Å; I784-I840 HydrophobicContact CD1-CD1 3.78Å; I784-I840 HydrophobicContact CD1-CG1 3.68Å; I784-I840 HydrophobicContact CG1-CD1 4.11Å; I784-I840 HydrophobicContact CG1-CG1 4.08Å |
| 785 | S | 71.8 | Confident | 63.2 | Low | 24 Ų | 24 | 56.9 Ų | 56.9 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -15 | -174.4 | 72.4 | 0 | 0 | 0 | 0 | 115.8 | Y697 M701 D781 G782 E787 | Y697-S785 WeakPolarHBondContact OH-CB 3.36Å; Y697-S785 PolarHBondContact OH-OG 3.47Å; Y697-S785 VanDerWaalsContact OH-OG 3.14Å; M701-S785 WeakPolarHBondContact CG-OG 3.47Å; D781-S785 VanDerWaalsContact O-CB 3.26Å; D781-S785 WeakPolarHBondContact O-CB 3.47Å; D781-S785 PolarHBondContact O-N 3.38Å; G782-S785 PolarHBondContact O-N 3.21Å; G782-S785 PolarHBondContact O-OG 3.32Å; S785-E787 VanDerWaalsContact C-N 3.26Å; S785-E787 PolarHBondContact O-N 3.41Å |
| 786 | V | 67.2 | Low | 62.6 | Low | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -74 | 85.9 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 108 | M701 Y704 I784 Q788 | M701-V786 HydrophobicContact CB-CG2 3.94Å; M701-V786 HydrophobicContact CG-CG2 3.73Å; Y704-V786 HydrophobicContact CD1-CB 3.63Å; Y704-V786 HydrophobicContact CD1-CG1 3.65Å; Y704-V786 HydrophobicContact CD1-CG2 3.93Å; Y704-V786 HydrophobicContact CE1-CB 3.78Å; Y704-V786 HydrophobicContact CE1-CG1 3.58Å; Y704-V786 HydrophobicContact CG-CB 4.32Å; Y704-V786 HydrophobicContact CG-CG2 4.39Å; I784-V786 PolarHBondContact O-N 2.94Å; I784-V786 VanDerWaalsContact O-N 3.13Å; V786-Q788 PolarHBondContact O-N 2.98Å |
| 787 | E | 54 | Low | 62 | Low | 164 Ų | 164 | 60.2 Ų | 60.2 | 77% | 0.766 | 33% | 0.328 | S | S | * | . | trans | -51.1 | 107.4 | -178.3 | -73.3 | -176 | 167.2 | 0 | 0 | 111.4 | S785 | S785-E787 VanDerWaalsContact C-N 3.26Å; S785-E787 PolarHBondContact O-N 3.41Å | ||
| 788 | Q | 48.9 | Very low | 61.5 | Low | 83 Ų | 83 | 64 Ų | 64 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | trans | -103.7 | 123 | 137.1 | -71.2 | -155.1 | -22.9 | 0 | 0 | 107 | V786 I790 | V786-Q788 PolarHBondContact O-N 2.98Å; Q788-I790 PolarHBondContact O-N 2.84Å | ||
| 789 | P | 38.3 | Very low | 61 | Low | 103 Ų | 103 | 65.3 Ų | 65.3 | 67% | 0.669 | 35% | 0.351 | S | S | * | . | trans | -60.5 | 106.7 | 169.9 | 26.2 | -30.4 | 0 | 0 | 0 | 106.4 | D791 | P789-D791 PolarHBondContact O-N 3.24Š| ||
| 790 | I | 40.4 | Very low | 60.5 | Low | 168 Ų | 168 | 66.1 Ų | 66.1 | 86% | 0.862 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 41.5 | -13 | 144 | -60.8 | 172.7 | 0 | 0 | 0 | 119.9 | Q788 | Q788-I790 PolarHBondContact O-N 2.84Š|
| 791 | D | 42.2 | Very low | 60.3 | Low | 138 Ų | 138 | 65.6 Ų | 65.6 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -105.9 | -4.3 | -168.8 | -73.1 | -21.8 | 0 | 0 | 0 | 115 | P789 | P789-D791 PolarHBondContact O-N 3.24Š|
| 792 | N | 40.2 | Very low | 60.2 | Low | 121 Ų | 121 | 64.4 Ų | 64.4 | 65% | 0.647 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -138.6 | 113.1 | 173.5 | -73.7 | -49.8 | 0 | 0 | 0 | 110.9 | I794 | N792-I794 PolarHBondContact O-N 2.63Š|
| 793 | G | 47.4 | Very low | 60.2 | Low | 49 Ų | 49 | 64.7 Ų | 64.7 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | trans | -43.9 | 125.3 | -168 | 0 | 0 | 0 | 0 | 0 | 115.2 | I795 | G793-I795 PolarHBondContact O-N 3.26Š| ||
| 794 | I | 52.4 | Low | 60.1 | Low | 55 Ų | 55 | 64.3 Ų | 64.3 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | trans | -56 | 118.9 | 164.8 | -60 | -176.7 | 0 | 0 | 0 | 107.2 | Y704 F783 N792 V796 C843 | Y704-I794 HydrophobicContact CE2-CG2 4.3Å; F783-I794 HydrophobicContact CE1-CG2 4.37Å; N792-I794 PolarHBondContact O-N 2.63Å; I794-V796 VanDerWaalsContact C-N 3.29Å; I794-V796 HydrophobicContact CB-CG2 4.26Å; I794-V796 HydrophobicContact CG2-CG2 3.58Å; I794-V796 PolarHBondContact O-N 3.29Å; I794-C843 HydrophobicContact CB-CB 4.45Å | ||
| 795 | I | 55 | Low | 60.2 | Low | 110 Ų | 110 | 62.6 Ų | 62.6 | 56% | 0.564 | 34% | 0.34 | S | S | * | . | trans | -74 | 91.6 | 170.9 | -58.2 | 174.4 | 0 | 0 | 0 | 106.1 | G793 | G793-I795 PolarHBondContact O-N 3.26Š| ||
| 796 | V | 59.1 | Low | 60.6 | Low | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -86.5 | 115 | 171 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | I794 I800 I801 I840 C843 M853 | I794-V796 VanDerWaalsContact C-N 3.29Å; I794-V796 HydrophobicContact CB-CG2 4.26Å; I794-V796 HydrophobicContact CG2-CG2 3.58Å; I794-V796 PolarHBondContact O-N 3.29Å; V796-I800 HydrophobicContact CG1-CB 4.19Å; V796-I800 HydrophobicContact CG1-CG2 4.16Å; V796-I801 HydrophobicContact CG1-CD1 4.06Å; V796-I801 HydrophobicContact CG1-CG1 3.64Å; V796-I840 HydrophobicContact CG1-CG2 3.8Å; V796-I840 HydrophobicContact CG2-CG2 4.22Å; V796-C843 HydrophobicContact CG2-CB 4.26Å; V796-M853 WeakPolarHBondContact O-CE 3.46Å | ||
| 797 | N | 64.6 | Low | 61 | Low | 61 Ų | 61 | 64.9 Ų | 64.9 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | trans | -83 | 151 | 176.9 | -171.3 | -33.7 | 0 | 0 | 0 | 111.3 | E707 H799 I800 | E707-N797 VanDerWaalsContact OE1-CB 3.28Å; E707-N797 WeakPolarHBondContact OE1-CB 3.42Å; E707-N797 PolarHBondContact OE1-ND2 2.87Å; N797-H799 PolarHBondContact O-N 3.39Å; N797-H799 PolarHBondContact OD1-N 2.62Å; N797-H799 PolarHBondContact OD1-ND1 3.36Å; N797-I800 PolarHBondContact O-N 2.8Å | ||
| 798 | H | 66.7 | Low | 62.1 | Low | 79 Ų | 79 | 57.4 Ų | 57.4 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -42.9 | -35 | 173.2 | -178.9 | -80.6 | 0 | 0 | 0 | 113.5 | T802 M853 | H798-T802 PolarHBondContact CE1-OG1 3.25Å; H798-T802 PolarHBondContact ND1-OG1 3.24Å; H798-T802 VanDerWaalsContact O-CB 3.29Å; H798-T802 WeakPolarHBondContact O-CB 2.91Å; H798-T802 PolarHBondContact O-N 3.3Å; H798-T802 PolarHBondContact O-OG1 3.16Å; H798-M853 VanDerWaalsContact CA-SD 3.6Å; H798-M853 HydrophobicContact CB-SD 4.13Å |
| 799 | H | 69.2 | Low | 63.4 | Low | 71 Ų | 71 | 56.4 Ų | 56.4 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 179.1 | -66.3 | 76.7 | 0 | 0 | 0 | 113 | Y723 N797 T802 I803 | Y723-H799 PolarHBondContact OH-CD2 2.99Å; N797-H799 PolarHBondContact O-N 3.39Å; N797-H799 PolarHBondContact OD1-N 2.62Å; N797-H799 PolarHBondContact OD1-ND1 3.36Å; H799-T802 PolarHBondContact O-N 3.32Å; H799-I803 VanDerWaalsContact O-CG1 3.24Å; H799-I803 WeakPolarHBondContact O-CG1 3.36Å; H799-I803 PolarHBondContact O-N 3.45Å |
| 800 | I | 72 | Confident | 65 | Low | 20 Ų | 20 | 53.3 Ų | 53.3 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | -178.8 | -64 | 179.6 | 0 | 0 | 0 | 109.9 | F780 F783 V796 N797 T802 I803 L804 I840 | F780-I800 HydrophobicContact CD1-CG2 4.35Å; F780-I800 HydrophobicContact CE1-CG2 3.8Å; F783-I800 HydrophobicContact CD1-CD1 4.38Å; F783-I800 HydrophobicContact CD2-CD1 4.17Å; F783-I800 HydrophobicContact CE1-CD1 3.66Å; F783-I800 HydrophobicContact CE2-CD1 3.41Å; F783-I800 VanDerWaalsContact CE2-CD1 3.41Å; F783-I800 HydrophobicContact CZ-CD1 3.11Å; V796-I800 HydrophobicContact CG1-CB 4.19Å; V796-I800 HydrophobicContact CG1-CG2 4.16Å; N797-I800 PolarHBondContact O-N 2.8Å; I800-T802 VanDerWaalsContact C-N 3.32Å; I800-T802 PolarHBondContact O-N 2.64Å; I800-I803 PolarHBondContact O-N 2.78Å; I800-L804 HydrophobicContact CG2-CD1 4.18Å; I800-L804 WeakPolarHBondContact O-CG 3.19Å; I800-L804 PolarHBondContact O-N 2.95Å; I800-I840 HydrophobicContact CG2-CD1 4.42Å; I800-I840 HydrophobicContact CG2-CG2 4.44Å |
| 801 | I | 73.3 | Confident | 66.5 | Low | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.2 | -53.9 | -166.5 | 0 | 0 | 0 | 110.2 | V796 I803 L804 S805 S844 M853 M856 V857 | V796-I801 HydrophobicContact CG1-CD1 4.06Å; V796-I801 HydrophobicContact CG1-CG1 3.64Å; I801-I803 VanDerWaalsContact C-N 3.33Å; I801-I803 PolarHBondContact O-N 2.68Å; I801-L804 PolarHBondContact O-N 3.4Å; I801-S805 WeakPolarHBondContact O-CB 3.26Å; I801-S805 PolarHBondContact O-N 3.1Å; I801-S805 PolarHBondContact O-OG 3.4Å; I801-S805 VanDerWaalsContact O-OG 3.05Å; I801-S844 WeakPolarHBondContact CD1-OG 3.39Å; I801-M853 HydrophobicContact CD1-CB 4.25Å; I801-M853 HydrophobicContact CD1-CE 3.59Å; I801-M853 HydrophobicContact CD1-CG 4.44Å; I801-M853 HydrophobicContact CD1-SD 3.43Å; I801-M853 WeakPolarHBondContact CD1-SD 3.39Å; I801-M853 HydrophobicContact CG1-SD 4.15Å; I801-M856 HydrophobicContact CG2-CB 4.11Å; I801-M856 HydrophobicContact CG2-CE 4.22Å; I801-V857 HydrophobicContact CD1-CG2 4.15Å; I801-V857 HydrophobicContact CG2-CG2 4.13Å |
| 802 | T | 76.3 | Confident | 68 | Low | 20 Ų | 20 | 42.1 Ų | 42.1 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | H798 H799 I800 K806 | H798-T802 PolarHBondContact CE1-OG1 3.25Å; H798-T802 PolarHBondContact ND1-OG1 3.24Å; H798-T802 VanDerWaalsContact O-CB 3.29Å; H798-T802 WeakPolarHBondContact O-CB 2.91Å; H798-T802 PolarHBondContact O-N 3.3Å; H798-T802 PolarHBondContact O-OG1 3.16Å; H799-T802 PolarHBondContact O-N 3.32Å; I800-T802 VanDerWaalsContact C-N 3.32Å; I800-T802 PolarHBondContact O-N 2.64Å; T802-K806 HydrophobicContact CG2-CD 4.12Å; T802-K806 VanDerWaalsContact O-CB 3.31Å; T802-K806 WeakPolarHBondContact O-CB 3.22Å; T802-K806 VanDerWaalsContact O-CG 3.24Å; T802-K806 WeakPolarHBondContact O-CG 3.25Å; T802-K806 PolarHBondContact O-N 2.93Å |
| 803 | I | 74.7 | Confident | 69.5 | Low | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66 | -45.9 | 178.6 | -66.2 | 165.4 | 0 | 0 | 0 | 110 | L722 Y723 L726 F780 H799 I800 I801 K806 L807 | L722-I803 HydrophobicContact CD1-CD1 4.4Å; Y723-I803 HydrophobicContact CE1-CG1 4.29Å; L726-I803 HydrophobicContact CD1-CG2 4.18Å; L726-I803 HydrophobicContact CD2-CG1 4.41Å; L726-I803 HydrophobicContact CD2-CG2 4.31Å; F780-I803 HydrophobicContact CE2-CG2 4.16Å; F780-I803 HydrophobicContact CZ-CB 4.15Å; F780-I803 HydrophobicContact CZ-CG2 3.64Å; H799-I803 VanDerWaalsContact O-CG1 3.24Å; H799-I803 WeakPolarHBondContact O-CG1 3.36Å; H799-I803 PolarHBondContact O-N 3.45Å; I800-I803 PolarHBondContact O-N 2.78Å; I801-I803 VanDerWaalsContact C-N 3.33Å; I801-I803 PolarHBondContact O-N 2.68Å; I803-K806 PolarHBondContact O-N 3.32Å; I803-L807 VanDerWaalsContact O-CB 3.31Å; I803-L807 WeakPolarHBondContact O-CB 3.08Å; I803-L807 PolarHBondContact O-N 3.44Å |
| 804 | L | 75.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 177.6 | -74.4 | 167.5 | 0 | 0 | 0 | 112.5 | F780 I800 I801 K806 L807 L808 L833 I840 | F780-L804 HydrophobicContact CD1-CD2 4.1Å; F780-L804 HydrophobicContact CD1-CG 4.33Å; F780-L804 HydrophobicContact CD2-CD2 3.88Å; F780-L804 HydrophobicContact CE1-CD1 4.1Å; F780-L804 HydrophobicContact CE1-CD2 3.79Å; F780-L804 HydrophobicContact CE1-CG 3.66Å; F780-L804 HydrophobicContact CE2-CD2 3.55Å; F780-L804 HydrophobicContact CE2-CG 4.12Å; F780-L804 HydrophobicContact CG-CD2 4.15Å; F780-L804 HydrophobicContact CZ-CD1 4.46Å; F780-L804 HydrophobicContact CZ-CD2 3.51Å; F780-L804 HydrophobicContact CZ-CG 3.54Å; I800-L804 HydrophobicContact CG2-CD1 4.18Å; I800-L804 WeakPolarHBondContact O-CG 3.19Å; I800-L804 PolarHBondContact O-N 2.95Å; I801-L804 PolarHBondContact O-N 3.4Å; L804-K806 VanDerWaalsContact C-N 3.34Å; L804-K806 PolarHBondContact O-N 2.86Å; L804-L807 WeakPolarHBondContact O-CB 3.24Å; L804-L807 PolarHBondContact O-N 3.42Å; L804-L808 WeakPolarHBondContact O-CG 3.28Å; L804-L808 PolarHBondContact O-N 3.46Å; L804-L833 HydrophobicContact CD2-CD1 4.18Å; L804-I840 HydrophobicContact CD1-CB 4.12Å; L804-I840 HydrophobicContact CD1-CD1 3.65Å; L804-I840 HydrophobicContact CD1-CG1 4.48Å; L804-I840 HydrophobicContact CD1-CG2 3.74Å |
| 805 | S | 75.8 | Confident | 71.1 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | I801 L808 C809 S860 | I801-S805 WeakPolarHBondContact O-CB 3.26Å; I801-S805 PolarHBondContact O-N 3.1Å; I801-S805 PolarHBondContact O-OG 3.4Å; I801-S805 VanDerWaalsContact O-OG 3.05Å; S805-L808 PolarHBondContact O-N 2.8Å; S805-C809 WeakPolarHBondContact O-CB 3.48Å; S805-C809 PolarHBondContact O-N 3.03Å; S805-C809 PolarHBondContact O-SG 3.27Å; S805-C809 VanDerWaalsContact O-SG 3.32Å; S805-S860 PolarHBondContact OG-OG 3.38Å |
| 806 | K | 79.1 | Confident | 71.6 | Confident | 87 Ų | 87 | 32.9 Ų | 32.9 | 38% | 0.378 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -45 | 174.4 | -77.5 | 179.1 | 179.6 | -176.8 | 0 | 111.9 | L726 T802 I803 L804 L808 C809 Y810 | L726-K806 HydrophobicContact CD2-CB 4.36Å; L726-K806 HydrophobicContact CD2-CD 4.13Å; T802-K806 HydrophobicContact CG2-CD 4.12Å; T802-K806 VanDerWaalsContact O-CB 3.31Å; T802-K806 WeakPolarHBondContact O-CB 3.22Å; T802-K806 VanDerWaalsContact O-CG 3.24Å; T802-K806 WeakPolarHBondContact O-CG 3.25Å; T802-K806 PolarHBondContact O-N 2.93Å; I803-K806 PolarHBondContact O-N 3.32Å; L804-K806 VanDerWaalsContact C-N 3.34Å; L804-K806 PolarHBondContact O-N 2.86Å; K806-L808 PolarHBondContact O-N 3.19Å; K806-C809 PolarHBondContact O-N 3.14Å; K806-Y810 HydrophobicContact CB-CD2 4.37Å; K806-Y810 HydrophobicContact CB-CE2 3.89Å; K806-Y810 WeakPolarHBondContact O-CB 3.19Å; K806-Y810 WeakPolarHBondContact O-CD2 2.94Å; K806-Y810 VanDerWaalsContact O-CG 3.23Å; K806-Y810 PolarHBondContact O-N 3.39Å |
| 807 | L | 76.2 | Confident | 71.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 178.3 | -169.4 | 82.8 | 0 | 0 | 0 | 111.2 | L726 F729 L773 V776 I803 L804 C809 Y810 L811 L833 | L726-L807 HydrophobicContact CD1-CB 4.5Å; L726-L807 HydrophobicContact CD1-CD1 4.13Å; F729-L807 HydrophobicContact CD1-CD1 3.97Å; F729-L807 HydrophobicContact CE1-CD1 3.8Å; F729-L807 HydrophobicContact CG-CD1 4.49Å; F729-L807 HydrophobicContact CZ-CD1 4.2Å; L773-L807 HydrophobicContact CD1-CD1 3.96Å; L773-L807 HydrophobicContact CD1-CD2 3.9Å; L773-L807 HydrophobicContact CD1-CG 4.08Å; V776-L807 HydrophobicContact CG1-CD1 4.08Å; V776-L807 HydrophobicContact CG1-CD2 4.03Å; I803-L807 VanDerWaalsContact O-CB 3.31Å; I803-L807 WeakPolarHBondContact O-CB 3.08Å; I803-L807 PolarHBondContact O-N 3.44Å; L804-L807 WeakPolarHBondContact O-CB 3.24Å; L804-L807 PolarHBondContact O-N 3.42Å; L807-C809 PolarHBondContact O-N 3.02Å; L807-Y810 PolarHBondContact O-N 3.41Å; L807-L811 VanDerWaalsContact O-CB 3.22Å; L807-L811 WeakPolarHBondContact O-CB 3.4Å; L807-L811 PolarHBondContact O-N 3.28Å; L807-L833 HydrophobicContact CD2-CD1 3.39Å; L807-L833 HydrophobicContact CD2-CD2 3.65Å; L807-L833 HydrophobicContact CD2-CG 4.17Å; L807-L833 HydrophobicContact CG-CD2 4.32Å |
| 808 | L | 76.7 | Confident | 71.5 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.8 | -73.8 | 170.4 | 0 | 0 | 0 | 112.2 | L804 S805 K806 L811 K812 L833 F841 I864 | L804-L808 WeakPolarHBondContact O-CG 3.28Å; L804-L808 PolarHBondContact O-N 3.46Å; S805-L808 PolarHBondContact O-N 2.8Å; K806-L808 PolarHBondContact O-N 3.19Å; L808-L811 PolarHBondContact O-N 3.13Å; L808-K812 WeakPolarHBondContact O-CB 3.18Å; L808-K812 PolarHBondContact O-N 3.03Å; L808-L833 HydrophobicContact CD2-CD2 3.7Å; L808-L833 HydrophobicContact CD2-CG 4.41Å; L808-L833 HydrophobicContact CG-CD2 4.37Å; L808-F841 HydrophobicContact CD1-CE2 4.12Å; L808-F841 HydrophobicContact CD1-CZ 3.69Å; L808-I864 HydrophobicContact CD1-CD1 4.13Å; L808-I864 HydrophobicContact CD1-CG1 4.33Å; L808-I864 HydrophobicContact CD2-CD1 4.38Å; L808-I864 HydrophobicContact CD2-CG1 4.04Å |
| 809 | C | 76.3 | Confident | 71 | Confident | 62 Ų | 62 | 33.6 Ų | 33.6 | 42% | 0.419 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.4 | -75.5 | 0 | 0 | 0 | 0 | 112.5 | S805 K806 L807 L811 K812 Q813 | S805-C809 WeakPolarHBondContact O-CB 3.48Å; S805-C809 PolarHBondContact O-N 3.03Å; S805-C809 PolarHBondContact O-SG 3.27Å; S805-C809 VanDerWaalsContact O-SG 3.32Å; K806-C809 PolarHBondContact O-N 3.14Å; L807-C809 PolarHBondContact O-N 3.02Å; C809-L811 VanDerWaalsContact C-N 3.32Å; C809-L811 PolarHBondContact O-N 3.23Å; C809-K812 PolarHBondContact O-N 3.32Å; C809-Q813 WeakPolarHBondContact O-CG 3.22Å; C809-Q813 PolarHBondContact O-N 2.97Å |
| 810 | Y | 73.3 | Confident | 70.6 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 15% | 0.153 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -35.2 | 177.2 | -65.3 | -34.8 | 0 | 0 | 0 | 112.2 | F729 R730 K806 L807 Q813 S814 | F729-Y810 HydrophobicContact CD1-CD2 4.13Å; F729-Y810 HydrophobicContact CD1-CG 4.49Å; F729-Y810 HydrophobicContact CE1-CD2 4.49Å; R730-Y810 HydrophobicContact CB-CD2 4.28Å; R730-Y810 HydrophobicContact CB-CE1 4.44Å; R730-Y810 HydrophobicContact CB-CE2 3.84Å; R730-Y810 VanDerWaalsContact CD-OH 3.27Å; R730-Y810 WeakPolarHBondContact CD-OH 3.29Å; R730-Y810 HydrophobicContact CG-CD1 4.33Å; R730-Y810 HydrophobicContact CG-CE1 3.71Å; R730-Y810 HydrophobicContact CG-CE2 3.93Å; R730-Y810 VanDerWaalsContact CG-CZ 3.49Å; K806-Y810 HydrophobicContact CB-CD2 4.37Å; K806-Y810 HydrophobicContact CB-CE2 3.89Å; K806-Y810 WeakPolarHBondContact O-CB 3.19Å; K806-Y810 WeakPolarHBondContact O-CD2 2.94Å; K806-Y810 VanDerWaalsContact O-CG 3.23Å; K806-Y810 PolarHBondContact O-N 3.39Å; L807-Y810 PolarHBondContact O-N 3.41Å; Y810-Q813 PolarHBondContact O-N 3.27Å; Y810-S814 PolarHBondContact O-N 3.13Å; Y810-S814 PolarHBondContact O-OG 3.39Å |
| 811 | L | 71.6 | Confident | 69.9 | Low | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -43.1 | 176.7 | -169.5 | 58.8 | 0 | 0 | 0 | 111.3 | L773 L807 L808 C809 Q813 S814 L815 Y826 Y830 L833 | L773-L811 HydrophobicContact CD2-CD1 3.8Å; L773-L811 HydrophobicContact CD2-CD2 4.26Å; L807-L811 VanDerWaalsContact O-CB 3.22Å; L807-L811 WeakPolarHBondContact O-CB 3.4Å; L807-L811 PolarHBondContact O-N 3.28Å; L808-L811 PolarHBondContact O-N 3.13Å; C809-L811 VanDerWaalsContact C-N 3.32Å; C809-L811 PolarHBondContact O-N 3.23Å; L811-Q813 VanDerWaalsContact C-N 3.34Å; L811-Q813 PolarHBondContact O-N 2.99Å; L811-S814 WeakPolarHBondContact CA-OG 3.45Å; L811-S814 PolarHBondContact O-N 3.46Å; L811-S814 PolarHBondContact O-OG 2.86Å; L811-L815 HydrophobicContact CG-CD1 4.33Å; L811-L815 WeakPolarHBondContact O-CB 3.25Å; L811-L815 WeakPolarHBondContact O-CG 3.41Å; L811-L815 PolarHBondContact O-N 2.67Å; L811-Y826 HydrophobicContact CD1-CD1 4.39Å; L811-Y830 HydrophobicContact CD2-CD2 3.21Å; L811-Y830 HydrophobicContact CD2-CE2 3.61Å; L811-Y830 HydrophobicContact CD2-CG 4.21Å; L811-Y830 HydrophobicContact CG-CD2 3.82Å; L811-Y830 HydrophobicContact CG-CE2 4.08Å; L811-L833 HydrophobicContact CD2-CD2 3.73Å |
| 812 | K | 73.1 | Confident | 69.5 | Low | 71 Ų | 71 | 39.3 Ų | 39.3 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.5 | -48.2 | 171.2 | 177.2 | 178 | 173.1 | -176.3 | 0 | 111.1 | L808 C809 S814 L815 T816 C863 | L808-K812 WeakPolarHBondContact O-CB 3.18Å; L808-K812 PolarHBondContact O-N 3.03Å; C809-K812 PolarHBondContact O-N 3.32Å; K812-S814 PolarHBondContact O-N 3.15Å; K812-L815 PolarHBondContact O-N 2.7Å; K812-T816 WeakPolarHBondContact O-CG2 3.41Å; K812-T816 PolarHBondContact O-N 2.65Å; K812-T816 PolarHBondContact O-OG1 3.28Å; K812-T816 VanDerWaalsContact O-OG1 3.1Å; K812-C863 WeakPolarHBondContact CD-SG 3.13Å |
| 813 | Q | 71.4 | Confident | 69 | Low | 80 Ų | 80 | 38.4 Ų | 38.4 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.7 | -75.9 | 176.4 | -17.6 | 0 | 0 | 111.9 | C809 Y810 L811 L815 T816 E817 | C809-Q813 WeakPolarHBondContact O-CG 3.22Å; C809-Q813 PolarHBondContact O-N 2.97Å; Y810-Q813 PolarHBondContact O-N 3.27Å; L811-Q813 VanDerWaalsContact C-N 3.34Å; L811-Q813 PolarHBondContact O-N 2.99Å; Q813-L815 VanDerWaalsContact C-N 3.34Å; Q813-L815 PolarHBondContact O-N 3.16Å; Q813-T816 WeakPolarHBondContact CA-OG1 3.41Å; Q813-T816 PolarHBondContact O-N 3.19Å; Q813-T816 PolarHBondContact O-OG1 2.78Å; Q813-E817 WeakPolarHBondContact O-CB 3.39Å; Q813-E817 WeakPolarHBondContact O-CG 3.41Å; Q813-E817 PolarHBondContact O-N 2.75Å |
| 814 | S | 67.2 | Low | 68.5 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 179 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | Y810 L811 K812 T816 E817 V818 | Y810-S814 PolarHBondContact O-N 3.13Å; Y810-S814 PolarHBondContact O-OG 3.39Å; L811-S814 WeakPolarHBondContact CA-OG 3.45Å; L811-S814 PolarHBondContact O-N 3.46Å; L811-S814 PolarHBondContact O-OG 2.86Å; K812-S814 PolarHBondContact O-N 3.15Å; S814-T816 VanDerWaalsContact C-N 3.34Å; S814-E817 PolarHBondContact O-N 3.17Å; S814-V818 PolarHBondContact O-N 3.29Å |
| 815 | L | 66.6 | Low | 68 | Low | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -33.2 | 178.3 | -74.8 | 168.1 | 0 | 0 | 0 | 111.6 | L811 K812 Q813 L823 Y826 Y830 T867 I871 | L811-L815 HydrophobicContact CG-CD1 4.33Å; L811-L815 WeakPolarHBondContact O-CB 3.25Å; L811-L815 WeakPolarHBondContact O-CG 3.41Å; L811-L815 PolarHBondContact O-N 2.67Å; K812-L815 PolarHBondContact O-N 2.7Å; Q813-L815 VanDerWaalsContact C-N 3.34Å; Q813-L815 PolarHBondContact O-N 3.16Å; L815-L823 HydrophobicContact CD2-CD1 4.14Å; L815-Y826 HydrophobicContact CD2-CG 4.32Å; L815-Y830 HydrophobicContact CD1-CD2 4.19Å; L815-Y830 HydrophobicContact CD1-CE2 4.35Å; L815-T867 HydrophobicContact CD1-CG2 3.69Å; L815-I871 HydrophobicContact CD1-CD1 4.43Å |
| 816 | T | 66.3 | Low | 67.7 | Low | 56 Ų | 56 | 43.9 Ų | 43.9 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -78.5 | -30.2 | 176.9 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | K812 Q813 S814 Y870 | K812-T816 WeakPolarHBondContact O-CG2 3.41Å; K812-T816 PolarHBondContact O-N 2.65Å; K812-T816 PolarHBondContact O-OG1 3.28Å; K812-T816 VanDerWaalsContact O-OG1 3.1Å; Q813-T816 WeakPolarHBondContact CA-OG1 3.41Å; Q813-T816 PolarHBondContact O-N 3.19Å; Q813-T816 PolarHBondContact O-OG1 2.78Å; S814-T816 VanDerWaalsContact C-N 3.34Å; T816-Y870 HydrophobicContact CG2-CD1 4.14Å; T816-Y870 HydrophobicContact CG2-CE1 3.87Å |
| 817 | E | 62.4 | Low | 67.3 | Low | 119 Ų | 119 | 39.7 Ų | 39.7 | 56% | 0.556 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -105.8 | -29.5 | -168.8 | -68.4 | -177.3 | -178.2 | 0 | 0 | 114.7 | Q813 S814 | Q813-E817 WeakPolarHBondContact O-CB 3.39Å; Q813-E817 WeakPolarHBondContact O-CG 3.41Å; Q813-E817 PolarHBondContact O-N 2.75Å; S814-E817 PolarHBondContact O-N 3.17Å |
| 818 | V | 58.1 | Low | 67 | Low | 43 Ų | 43 | 43.4 Ų | 43.4 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -28.3 | -158.8 | -173.2 | 0 | 0 | 0 | 0 | 115.8 | S814 | S814-V818 PolarHBondContact O-N 3.29Š|
| 819 | A | 57 | Low | 66.7 | Low | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | trans | -148.3 | 49.2 | -156.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | S821 Q822 Y826 | A819-S821 PolarHBondContact O-N 2.64Å; A819-Q822 PolarHBondContact O-N 2.96Å; A819-Y826 HydrophobicContact CB-CD2 4.11Å; A819-Y826 HydrophobicContact CB-CE2 3.42Å; A819-Y826 VanDerWaalsContact CB-CE2 3.42Å | ||
| 820 | F | 59.7 | Low | 66.7 | Low | 73 Ų | 73 | 41.4 Ų | 41.4 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -63.4 | -25.1 | 170.8 | -90.4 | -77.2 | 0 | 0 | 0 | 114.3 | L823 Y870 K874 | F820-L823 HydrophobicContact CD1-CD1 4.35Å; F820-Y870 AromaticContact CE2-CE1 3.74Å; F820-Y870 HydrophobicContact CE2-CE1 3.74Å; F820-Y870 HydrophobicContact CZ-CD1 4.17Å; F820-Y870 AromaticContact CZ-CE1 3.37Å; F820-Y870 HydrophobicContact CZ-CE1 3.37Å; F820-Y870 AromaticContact CZ-CZ 3.91Å; F820-K874 HydrophobicContact CE1-CB 3.65Å; F820-K874 HydrophobicContact CZ-CB 3.49Å; F820-K874 VanDerWaalsContact CZ-CB 3.49Å; F820-K874 HydrophobicContact CZ-CG 3.99Å |
| 821 | S | 58.1 | Low | 66.9 | Low | 104 Ų | 104 | 40.7 Ų | 40.7 | 73% | 0.727 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -77.9 | -19.8 | -178.7 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | A819 | A819-S821 PolarHBondContact O-N 2.64Š|
| 822 | Q | 64 | Low | 67 | Low | 33 Ų | 33 | 44.3 Ų | 44.3 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -112.3 | 19.7 | 178.8 | -61.7 | -165.2 | 1.2 | 0 | 0 | 112.5 | N763 S766 A819 P824 E825 Y826 | N763-Q822 PolarHBondContact OD1-NE2 3.16Å; S766-Q822 PolarHBondContact OG-OE1 2.9Å; A819-Q822 PolarHBondContact O-N 2.96Å; Q822-P824 VanDerWaalsContact C-N 3.31Å; Q822-P824 VanDerWaalsContact O-N 3.13Å; Q822-E825 PolarHBondContact O-N 3.33Å; Q822-Y826 HydrophobicContact CB-CD2 4.18Å; Q822-Y826 HydrophobicContact CB-CE2 4.09Å; Q822-Y826 WeakPolarHBondContact O-CD2 3.49Å; Q822-Y826 PolarHBondContact O-N 3.18Å |
| 823 | L | 67.3 | Low | 67.3 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -47.1 | -41.6 | -174.8 | -159.5 | 83.5 | 0 | 0 | 0 | 114.5 | L815 F820 Y826 F827 I871 Y875 I882 | L815-L823 HydrophobicContact CD2-CD1 4.14Å; F820-L823 HydrophobicContact CD1-CD1 4.35Å; L823-Y826 PolarHBondContact O-N 2.7Å; L823-F827 HydrophobicContact CG-CD2 4.33Å; L823-F827 WeakPolarHBondContact O-CB 3.32Å; L823-F827 PolarHBondContact O-N 3.34Å; L823-I871 HydrophobicContact CD2-CG2 4.03Å; L823-Y875 HydrophobicContact CB-CE2 4.31Å; L823-Y875 HydrophobicContact CD2-CD1 3.78Å; L823-Y875 HydrophobicContact CD2-CD2 3.43Å; L823-Y875 VanDerWaalsContact CD2-CD2 3.43Å; L823-Y875 HydrophobicContact CD2-CE1 4.03Å; L823-Y875 HydrophobicContact CD2-CE2 3.66Å; L823-Y875 HydrophobicContact CD2-CG 3.47Å; L823-Y875 VanDerWaalsContact CD2-CG 3.47Å; L823-I882 HydrophobicContact CD2-CD1 3.51Å; L823-I882 HydrophobicContact CD2-CG1 4.19Å |
| 824 | P | 64.1 | Low | 67.7 | Low | 42 Ų | 42 | 37.4 Ų | 37.4 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.1 | -44.1 | -179.2 | -24 | 35.5 | 0 | 0 | 0 | 114 | Q822 Y826 F827 I828 T881 | Q822-P824 VanDerWaalsContact C-N 3.31Å; Q822-P824 VanDerWaalsContact O-N 3.13Å; P824-Y826 PolarHBondContact O-N 3Å; P824-F827 PolarHBondContact O-N 3.4Å; P824-I828 WeakPolarHBondContact O-CG1 3.36Å; P824-I828 PolarHBondContact O-N 3.05Å; P824-I828 VanDerWaalsContact O-N 3.07Å; P824-T881 HydrophobicContact CB-CG2 4.28Å |
| 825 | E | 64.3 | Low | 68.1 | Low | 94 Ų | 94 | 41.3 Ų | 41.3 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 179 | -71.6 | -176.6 | -169.7 | 0 | 0 | 111.5 | Q822 F827 I828 Q829 | Q822-E825 PolarHBondContact O-N 3.33Å; E825-F827 VanDerWaalsContact C-N 3.33Å; E825-F827 PolarHBondContact O-N 3.47Å; E825-I828 PolarHBondContact O-N 3.3Å; E825-Q829 PolarHBondContact O-N 3.48Å |
| 826 | Y | 68.9 | Low | 68.4 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 174.2 | -82.1 | -82 | 0 | 0 | 0 | 112.3 | S766 I769 L811 L815 A819 Q822 L823 P824 Q829 Y830 | S766-Y826 VanDerWaalsContact CA-OH 3.23Å; S766-Y826 WeakPolarHBondContact CA-OH 3.23Å; S766-Y826 WeakPolarHBondContact CB-OH 3.49Å; S766-Y826 WeakPolarHBondContact OG-CE2 3.48Å; S766-Y826 PolarHBondContact OG-OH 2.96Å; I769-Y826 HydrophobicContact CB-CE1 4.3Å; I769-Y826 HydrophobicContact CG2-CE1 3.69Å; L811-Y826 HydrophobicContact CD1-CD1 4.39Å; L815-Y826 HydrophobicContact CD2-CG 4.32Å; A819-Y826 HydrophobicContact CB-CD2 4.11Å; A819-Y826 HydrophobicContact CB-CE2 3.42Å; A819-Y826 VanDerWaalsContact CB-CE2 3.42Å; Q822-Y826 HydrophobicContact CB-CD2 4.18Å; Q822-Y826 HydrophobicContact CB-CE2 4.09Å; Q822-Y826 WeakPolarHBondContact O-CD2 3.49Å; Q822-Y826 PolarHBondContact O-N 3.18Å; L823-Y826 PolarHBondContact O-N 2.7Å; P824-Y826 PolarHBondContact O-N 3Å; Y826-Q829 PolarHBondContact O-N 3.1Å; Y826-Y830 WeakPolarHBondContact O-CB 3.48Å; Y826-Y830 PolarHBondContact O-N 2.88Å |
| 827 | F | 70.3 | Confident | 68.9 | Low | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.7 | -30.6 | -178 | -108.9 | -108 | 0 | 0 | 0 | 113.4 | L823 P824 E825 Q829 Y830 H831 F868 I871 T881 I882 P885 | L823-F827 HydrophobicContact CG-CD2 4.33Å; L823-F827 WeakPolarHBondContact O-CB 3.32Å; L823-F827 PolarHBondContact O-N 3.34Å; P824-F827 PolarHBondContact O-N 3.4Å; E825-F827 VanDerWaalsContact C-N 3.33Å; E825-F827 PolarHBondContact O-N 3.47Å; F827-Q829 VanDerWaalsContact C-N 3.3Å; F827-Q829 PolarHBondContact O-N 3.25Å; F827-Y830 PolarHBondContact O-N 3.29Å; F827-H831 WeakPolarHBondContact O-CB 3.43Å; F827-H831 PolarHBondContact O-N 3.29Å; F827-F868 HydrophobicContact CE1-CD1 4.08Å; F827-F868 AromaticContact CE1-CE1 3.65Å; F827-F868 HydrophobicContact CE1-CE1 3.65Å; F827-F868 AromaticContact CZ-CD1 3.85Å; F827-F868 HydrophobicContact CZ-CD1 3.85Å; F827-F868 AromaticContact CZ-CE1 3.75Å; F827-F868 HydrophobicContact CZ-CE1 3.75Å; F827-I871 HydrophobicContact CD2-CD1 4.41Å; F827-I871 HydrophobicContact CE2-CD1 3.21Å; F827-I871 HydrophobicContact CZ-CD1 3.4Å; F827-I871 VanDerWaalsContact CZ-CD1 3.4Å; F827-T881 WeakPolarHBondContact CD1-O 3.41Å; F827-I882 HydrophobicContact CD1-CB 4.25Å; F827-I882 HydrophobicContact CD1-CG1 4.24Å; F827-I882 HydrophobicContact CD1-CG2 4.34Å; F827-I882 HydrophobicContact CE1-CB 4.42Å; F827-I882 HydrophobicContact CE1-CG2 4.01Å; F827-I882 HydrophobicContact CG-CG1 4.34Å; F827-P885 HydrophobicContact CD1-CB 4.11Å; F827-P885 HydrophobicContact CD1-CG 3.74Å; F827-P885 HydrophobicContact CE1-CB 4.19Å; F827-P885 HydrophobicContact CE1-CG 4.3Å |
| 828 | I | 69.9 | Low | 69.6 | Low | 78 Ų | 78 | 33 Ų | 33 | 40% | 0.4 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.3 | -44 | 169.9 | -67.9 | 165.7 | 0 | 0 | 0 | 110 | P824 E825 H831 K832 T881 | P824-I828 WeakPolarHBondContact O-CG1 3.36Å; P824-I828 PolarHBondContact O-N 3.05Å; P824-I828 VanDerWaalsContact O-N 3.07Å; E825-I828 PolarHBondContact O-N 3.3Å; I828-H831 WeakPolarHBondContact O-CB 3.28Å; I828-H831 PolarHBondContact O-N 3.26Å; I828-K832 WeakPolarHBondContact O-CG 3.24Å; I828-K832 PolarHBondContact O-N 2.88Å; I828-T881 HydrophobicContact CG1-CG2 4.45Å |
| 829 | Q | 71.8 | Confident | 70.3 | Confident | 25 Ų | 25 | 33 Ų | 33 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.8 | -38.7 | 176.2 | -58.4 | -59.9 | -18.7 | 0 | 0 | 111.9 | T770 L773 I777 E825 Y826 F827 H831 K832 L833 | T770-Q829 HydrophobicContact CG2-CG 3.8Å; L773-Q829 HydrophobicContact CD2-CB 3.42Å; L773-Q829 VanDerWaalsContact CD2-CB 3.42Å; L773-Q829 HydrophobicContact CD2-CG 4.24Å; L773-Q829 HydrophobicContact CG-CB 3.95Å; I777-Q829 HydrophobicContact CD1-CB 4.04Å; I777-Q829 WeakPolarHBondContact CD1-O 3.46Å; E825-Q829 PolarHBondContact O-N 3.48Å; Y826-Q829 PolarHBondContact O-N 3.1Å; F827-Q829 VanDerWaalsContact C-N 3.3Å; F827-Q829 PolarHBondContact O-N 3.25Å; Q829-H831 VanDerWaalsContact C-N 3.29Å; Q829-H831 PolarHBondContact O-N 2.88Å; Q829-K832 PolarHBondContact O-N 3.47Å; Q829-L833 WeakPolarHBondContact O-CB 3.46Å; Q829-L833 PolarHBondContact O-N 3.4Å |
| 830 | Y | 76.1 | Confident | 71.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 174.3 | -160.4 | -83.2 | 0 | 0 | 0 | 111.3 | L811 L815 Y826 F827 L833 L834 I864 T867 F868 | L811-Y830 HydrophobicContact CD2-CD2 3.21Å; L811-Y830 HydrophobicContact CD2-CE2 3.61Å; L811-Y830 HydrophobicContact CD2-CG 4.21Å; L811-Y830 HydrophobicContact CG-CD2 3.82Å; L811-Y830 HydrophobicContact CG-CE2 4.08Å; L815-Y830 HydrophobicContact CD1-CD2 4.19Å; L815-Y830 HydrophobicContact CD1-CE2 4.35Å; Y826-Y830 WeakPolarHBondContact O-CB 3.48Å; Y826-Y830 PolarHBondContact O-N 2.88Å; F827-Y830 PolarHBondContact O-N 3.29Å; Y830-L833 WeakPolarHBondContact O-CB 3.45Å; Y830-L833 PolarHBondContact O-N 3.39Å; Y830-L834 HydrophobicContact CD1-CD1 3.74Å; Y830-L834 HydrophobicContact CD1-CG 3.94Å; Y830-L834 HydrophobicContact CE1-CD1 3.72Å; Y830-L834 HydrophobicContact CE1-CD2 3.97Å; Y830-L834 HydrophobicContact CE1-CG 3.87Å; Y830-L834 WeakPolarHBondContact O-CG 3.18Å; Y830-L834 PolarHBondContact O-N 3.32Å; Y830-I864 HydrophobicContact CE1-CG2 4.37Å; Y830-I864 WeakPolarHBondContact OH-CA 3.42Å; Y830-I864 WeakPolarHBondContact OH-CG1 3.46Å; Y830-T867 HydrophobicContact CE2-CG2 4.24Å; Y830-F868 AromaticContact CD1-CE1 3.9Å; Y830-F868 HydrophobicContact CD1-CE1 3.9Å; Y830-F868 HydrophobicContact CD1-CZ 4.14Å; Y830-F868 HydrophobicContact CE1-CD1 4.44Å; Y830-F868 AromaticContact CE1-CE1 3.53Å; Y830-F868 HydrophobicContact CE1-CE1 3.53Å; Y830-F868 AromaticContact CE1-CZ 3.65Å; Y830-F868 HydrophobicContact CE1-CZ 3.65Å |
| 831 | H | 76.7 | Confident | 71.9 | Confident | 25 Ų | 25 | 29.6 Ų | 29.6 | 12% | 0.116 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.7 | -53.4 | 174.8 | -169.2 | 36.8 | 0 | 0 | 0 | 111.5 | F827 I828 Q829 L833 L834 Q835 P885 | F827-H831 WeakPolarHBondContact O-CB 3.43Å; F827-H831 PolarHBondContact O-N 3.29Å; I828-H831 WeakPolarHBondContact O-CB 3.28Å; I828-H831 PolarHBondContact O-N 3.26Å; Q829-H831 VanDerWaalsContact C-N 3.29Å; Q829-H831 PolarHBondContact O-N 2.88Å; H831-L833 VanDerWaalsContact C-N 3.27Å; H831-L833 PolarHBondContact O-N 3.34Å; H831-L834 WeakPolarHBondContact O-CB 3.42Å; H831-L834 PolarHBondContact O-N 3.09Å; H831-L834 VanDerWaalsContact O-N 3.11Å; H831-Q835 PolarHBondContact NE2-NE2 3.03Å; H831-Q835 WeakPolarHBondContact O-CG 3.35Å; H831-Q835 PolarHBondContact O-N 3.28Å; H831-P885 HydrophobicContact CB-CB 4.23Å; H831-P885 HydrophobicContact CB-CG 3.53Å |
| 832 | K | 73.9 | Confident | 72.6 | Confident | 75 Ų | 75 | 25.5 Ų | 25.5 | 33% | 0.326 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 179.8 | -64.3 | 174.1 | 176.5 | -175.7 | 0 | 110.5 | I777 I828 Q829 L834 Q835 V836 | I777-K832 HydrophobicContact CD1-CB 4.22Å; I777-K832 HydrophobicContact CG2-CB 3.7Å; I828-K832 WeakPolarHBondContact O-CG 3.24Å; I828-K832 PolarHBondContact O-N 2.88Å; Q829-K832 PolarHBondContact O-N 3.47Å; K832-L834 VanDerWaalsContact C-N 3.33Å; K832-L834 PolarHBondContact O-N 2.74Å; K832-Q835 WeakPolarHBondContact O-CB 3.43Å; K832-Q835 PolarHBondContact O-N 3.14Å; K832-V836 VanDerWaalsContact O-CG2 3.28Å; K832-V836 WeakPolarHBondContact O-CG2 3.38Å; K832-V836 PolarHBondContact O-N 3.29Å |
| 833 | L | 78.7 | Confident | 72.9 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 174 | -179 | 60.7 | 0 | 0 | 0 | 112.2 | I777 L804 L807 L808 L811 Q829 Y830 H831 V836 G837 | I777-L833 HydrophobicContact CD1-CB 3.99Å; I777-L833 HydrophobicContact CG1-CB 4.04Å; I777-L833 HydrophobicContact CG1-CD1 4.17Å; L804-L833 HydrophobicContact CD2-CD1 4.18Å; L807-L833 HydrophobicContact CD2-CD1 3.39Å; L807-L833 HydrophobicContact CD2-CD2 3.65Å; L807-L833 HydrophobicContact CD2-CG 4.17Å; L807-L833 HydrophobicContact CG-CD2 4.32Å; L808-L833 HydrophobicContact CD2-CD2 3.7Å; L808-L833 HydrophobicContact CD2-CG 4.41Å; L808-L833 HydrophobicContact CG-CD2 4.37Å; L811-L833 HydrophobicContact CD2-CD2 3.73Å; Q829-L833 WeakPolarHBondContact O-CB 3.46Å; Q829-L833 PolarHBondContact O-N 3.4Å; Y830-L833 WeakPolarHBondContact O-CB 3.45Å; Y830-L833 PolarHBondContact O-N 3.39Å; H831-L833 VanDerWaalsContact C-N 3.27Å; H831-L833 PolarHBondContact O-N 3.34Å; L833-V836 PolarHBondContact O-N 2.98Å; L833-G837 WeakPolarHBondContact O-CA 3.42Å; L833-G837 PolarHBondContact O-N 3.45Å |
| 834 | L | 80.3 | Confident | 73 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 175.5 | -68 | 171.9 | 0 | 0 | 0 | 112.2 | Y830 H831 K832 V836 G837 L838 I864 F868 P885 Y888 | Y830-L834 HydrophobicContact CD1-CD1 3.74Å; Y830-L834 HydrophobicContact CD1-CG 3.94Å; Y830-L834 HydrophobicContact CE1-CD1 3.72Å; Y830-L834 HydrophobicContact CE1-CD2 3.97Å; Y830-L834 HydrophobicContact CE1-CG 3.87Å; Y830-L834 WeakPolarHBondContact O-CG 3.18Å; Y830-L834 PolarHBondContact O-N 3.32Å; H831-L834 WeakPolarHBondContact O-CB 3.42Å; H831-L834 PolarHBondContact O-N 3.09Å; H831-L834 VanDerWaalsContact O-N 3.11Å; K832-L834 VanDerWaalsContact C-N 3.33Å; K832-L834 PolarHBondContact O-N 2.74Å; L834-V836 PolarHBondContact O-N 3.39Å; L834-G837 PolarHBondContact O-N 3.11Å; L834-L838 HydrophobicContact CB-CD1 4.36Å; L834-L838 HydrophobicContact CB-CG 4.39Å; L834-L838 HydrophobicContact CD2-CD2 4.43Å; L834-L838 HydrophobicContact CD2-CG 4.41Å; L834-L838 WeakPolarHBondContact O-CB 3.46Å; L834-L838 VanDerWaalsContact O-CG 3.32Å; L834-L838 WeakPolarHBondContact O-CG 3.13Å; L834-L838 PolarHBondContact O-N 3.42Å; L834-I864 HydrophobicContact CD2-CD1 3.67Å; L834-I864 HydrophobicContact CD2-CG1 4.07Å; L834-I864 HydrophobicContact CD2-CG2 3.97Å; L834-F868 HydrophobicContact CD1-CE2 4.27Å; L834-F868 HydrophobicContact CD1-CZ 3.6Å; L834-P885 HydrophobicContact CD1-CB 3.95Å; L834-Y888 HydrophobicContact CB-CD1 3.97Å; L834-Y888 HydrophobicContact CB-CE1 4.22Å |
| 835 | Q | 75.6 | Confident | 73.4 | Confident | 82 Ų | 82 | 24.2 Ų | 24.2 | 38% | 0.383 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -54.3 | -28.8 | 177.4 | -74.4 | 178.9 | -30.9 | 0 | 0 | 112.5 | H831 K832 P839 Y888 | H831-Q835 PolarHBondContact NE2-NE2 3.03Å; H831-Q835 WeakPolarHBondContact O-CG 3.35Å; H831-Q835 PolarHBondContact O-N 3.28Å; K832-Q835 WeakPolarHBondContact O-CB 3.43Å; K832-Q835 PolarHBondContact O-N 3.14Å; Q835-P839 VanDerWaalsContact O-CD 3.22Å; Q835-P839 WeakPolarHBondContact O-CD 3.13Å; Q835-P839 VanDerWaalsContact O-CG 3.28Å; Q835-P839 WeakPolarHBondContact O-CG 3.49Å; Q835-Y888 VanDerWaalsContact CA-CE1 3.5Å; Q835-Y888 HydrophobicContact CB-CE1 4.39Å; Q835-Y888 HydrophobicContact CG-CD1 4.42Å; Q835-Y888 HydrophobicContact CG-CE1 4.06Å; Q835-Y888 HydrophobicContact CG-CE2 4.47Å |
| 836 | V | 73.9 | Confident | 73.5 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -99.6 | -38.9 | -178.3 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | I777 F780 D781 I784 K832 L833 L834 I840 | I777-V836 HydrophobicContact CG2-CG2 4.38Å; F780-V836 VanDerWaalsContact C-CG1 3.42Å; F780-V836 HydrophobicContact CB-CB 4.42Å; F780-V836 HydrophobicContact CB-CG1 3.18Å; F780-V836 HydrophobicContact CG-CG1 4.32Å; D781-V836 HydrophobicContact CB-CG2 4.4Å; D781-V836 WeakPolarHBondContact OD1-CG2 3.36Å; I784-V836 HydrophobicContact CD1-CB 4.19Å; I784-V836 HydrophobicContact CD1-CG1 3.43Å; I784-V836 VanDerWaalsContact CD1-CG1 3.43Å; I784-V836 WeakPolarHBondContact CD1-O 3.45Å; I784-V836 HydrophobicContact CG1-CG1 4.33Å; K832-V836 VanDerWaalsContact O-CG2 3.28Å; K832-V836 WeakPolarHBondContact O-CG2 3.38Å; K832-V836 PolarHBondContact O-N 3.29Å; L833-V836 PolarHBondContact O-N 2.98Å; L834-V836 PolarHBondContact O-N 3.39Å; V836-I840 HydrophobicContact CG1-CD1 4.5Å; V836-I840 WeakPolarHBondContact O-CD1 3.18Å; V836-I840 WeakPolarHBondContact O-CG1 3.46Å |
| 837 | G | 75.2 | Confident | 73.3 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.9 | -41.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L833 L834 I840 F841 | L833-G837 WeakPolarHBondContact O-CA 3.42Å; L833-G837 PolarHBondContact O-N 3.45Å; L834-G837 PolarHBondContact O-N 3.11Å; G837-I840 WeakPolarHBondContact O-CB 3.26Å; G837-I840 PolarHBondContact O-N 3.01Å; G837-F841 VanDerWaalsContact O-CG 3.27Å; G837-F841 WeakPolarHBondContact O-CG 3.5Å; G837-F841 PolarHBondContact O-N 3.42Å |
| 838 | L | 78 | Confident | 72.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | -176.2 | -64.5 | -175.2 | 0 | 0 | 0 | 113 | L834 I840 F841 T842 I864 Y888 F889 W892 | L834-L838 HydrophobicContact CB-CD1 4.36Å; L834-L838 HydrophobicContact CB-CG 4.39Å; L834-L838 HydrophobicContact CD2-CD2 4.43Å; L834-L838 HydrophobicContact CD2-CG 4.41Å; L834-L838 WeakPolarHBondContact O-CB 3.46Å; L834-L838 VanDerWaalsContact O-CG 3.32Å; L834-L838 WeakPolarHBondContact O-CG 3.13Å; L834-L838 PolarHBondContact O-N 3.42Å; L838-I840 VanDerWaalsContact C-N 3.31Å; L838-I840 PolarHBondContact O-N 3.37Å; L838-F841 HydrophobicContact CD2-CD2 3.96Å; L838-F841 HydrophobicContact CD2-CE2 4.44Å; L838-F841 WeakPolarHBondContact O-CB 3.38Å; L838-F841 PolarHBondContact O-N 3.23Å; L838-T842 PolarHBondContact O-N 3.49Å; L838-T842 PolarHBondContact O-OG1 3.27Å; L838-I864 HydrophobicContact CD2-CD1 4.42Å; L838-Y888 HydrophobicContact CB-CE1 4.39Å; L838-Y888 HydrophobicContact CD1-CD1 3.75Å; L838-Y888 HydrophobicContact CD1-CE1 3.57Å; L838-Y888 HydrophobicContact CG-CE1 4.28Å; L838-F889 HydrophobicContact CD1-CD2 4.07Å; L838-F889 HydrophobicContact CD2-CD2 4Å; L838-F889 HydrophobicContact CD2-CE2 4.21Å; L838-W892 HydrophobicContact CB-CD2 4.07Å; L838-W892 HydrophobicContact CB-CG 3.96Å; L838-W892 HydrophobicContact CD1-CB 3.66Å; L838-W892 HydrophobicContact CD1-CD2 4Å; L838-W892 HydrophobicContact CD1-CE3 4.42Å; L838-W892 HydrophobicContact CD1-CG 3.67Å; L838-W892 HydrophobicContact CD2-CD2 3.89Å; L838-W892 HydrophobicContact CD2-CE3 3.91Å; L838-W892 HydrophobicContact CD2-CG 4.42Å; L838-W892 HydrophobicContact CD2-CH2 4.39Å; L838-W892 HydrophobicContact CD2-CZ2 4.36Å; L838-W892 HydrophobicContact CD2-CZ3 4.17Å; L838-W892 HydrophobicContact CG-CD2 4.2Å; L838-W892 HydrophobicContact CG-CG 4.22Å; L838-W892 PolarHBondContact O-NE1 3.3Å |
| 839 | P | 72.8 | Confident | 72.3 | Confident | 42 Ų | 42 | 34.1 Ų | 34.1 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.8 | -37.6 | 172 | -25.6 | 34.7 | 0 | 0 | 0 | 113.8 | I784 Q835 F841 T842 C843 | I784-P839 HydrophobicContact CD1-CB 4.47Å; Q835-P839 VanDerWaalsContact O-CD 3.22Å; Q835-P839 WeakPolarHBondContact O-CD 3.13Å; Q835-P839 VanDerWaalsContact O-CG 3.28Å; Q835-P839 WeakPolarHBondContact O-CG 3.49Å; P839-F841 VanDerWaalsContact C-N 3.34Å; P839-T842 PolarHBondContact O-N 3.45Å; P839-C843 PolarHBondContact O-N 2.79Å; P839-C843 PolarHBondContact O-SG 2.87Å |
| 840 | I | 72.6 | Confident | 72.2 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.1 | -64.9 | 171.9 | 0 | 0 | 0 | 110.3 | F780 I784 V796 I800 L804 V836 G837 L838 C843 S844 | F780-I840 HydrophobicContact CD1-CD1 4.18Å; I784-I840 HydrophobicContact CD1-CD1 3.78Å; I784-I840 HydrophobicContact CD1-CG1 3.68Å; I784-I840 HydrophobicContact CG1-CD1 4.11Å; I784-I840 HydrophobicContact CG1-CG1 4.08Å; V796-I840 HydrophobicContact CG1-CG2 3.8Å; V796-I840 HydrophobicContact CG2-CG2 4.22Å; I800-I840 HydrophobicContact CG2-CD1 4.42Å; I800-I840 HydrophobicContact CG2-CG2 4.44Å; L804-I840 HydrophobicContact CD1-CB 4.12Å; L804-I840 HydrophobicContact CD1-CD1 3.65Å; L804-I840 HydrophobicContact CD1-CG1 4.48Å; L804-I840 HydrophobicContact CD1-CG2 3.74Å; V836-I840 HydrophobicContact CG1-CD1 4.5Å; V836-I840 WeakPolarHBondContact O-CD1 3.18Å; V836-I840 WeakPolarHBondContact O-CG1 3.46Å; G837-I840 WeakPolarHBondContact O-CB 3.26Å; G837-I840 PolarHBondContact O-N 3.01Å; L838-I840 VanDerWaalsContact C-N 3.31Å; L838-I840 PolarHBondContact O-N 3.37Å; I840-C843 PolarHBondContact O-N 3.28Å; I840-S844 WeakPolarHBondContact O-CB 3.43Å; I840-S844 PolarHBondContact O-N 3.27Å; I840-S844 PolarHBondContact O-OG 2.91Å |
| 841 | F | 77.2 | Confident | 72 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 173.7 | -62.2 | -19.8 | 0 | 0 | 0 | 111.9 | L808 G837 L838 P839 C843 S844 L845 V857 I864 W892 | L808-F841 HydrophobicContact CD1-CE2 4.12Å; L808-F841 HydrophobicContact CD1-CZ 3.69Å; G837-F841 VanDerWaalsContact O-CG 3.27Å; G837-F841 WeakPolarHBondContact O-CG 3.5Å; G837-F841 PolarHBondContact O-N 3.42Å; L838-F841 HydrophobicContact CD2-CD2 3.96Å; L838-F841 HydrophobicContact CD2-CE2 4.44Å; L838-F841 WeakPolarHBondContact O-CB 3.38Å; L838-F841 PolarHBondContact O-N 3.23Å; P839-F841 VanDerWaalsContact C-N 3.34Å; F841-C843 VanDerWaalsContact C-N 3.32Å; F841-C843 PolarHBondContact O-N 3.26Å; F841-S844 PolarHBondContact O-N 3.37Å; F841-L845 VanDerWaalsContact O-CB 3.32Å; F841-L845 WeakPolarHBondContact O-CB 3.04Å; F841-L845 VanDerWaalsContact O-CG 3.24Å; F841-L845 WeakPolarHBondContact O-CG 3.26Å; F841-L845 PolarHBondContact O-N 3.23Å; F841-V857 HydrophobicContact CB-CG1 3.72Å; F841-V857 HydrophobicContact CD1-CG1 3.96Å; F841-V857 HydrophobicContact CD1-CG2 4.01Å; F841-V857 HydrophobicContact CD2-CG1 4.49Å; F841-V857 HydrophobicContact CG-CG1 3.82Å; F841-I864 HydrophobicContact CE2-CD1 4.04Å; F841-W892 HydrophobicContact CB-CH2 4.24Å; F841-W892 HydrophobicContact CB-CZ2 3.96Å |
| 842 | T | 73.8 | Confident | 71.9 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.7 | -46.6 | 174 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | L838 P839 S844 L845 N846 W892 D896 | L838-T842 PolarHBondContact O-N 3.49Å; L838-T842 PolarHBondContact O-OG1 3.27Å; P839-T842 PolarHBondContact O-N 3.45Å; T842-S844 PolarHBondContact O-N 3Å; T842-L845 PolarHBondContact O-N 2.95Å; T842-N846 WeakPolarHBondContact CG2-ND2 2.95Å; T842-N846 VanDerWaalsContact O-CB 3.3Å; T842-N846 WeakPolarHBondContact O-CB 3.49Å; T842-N846 VanDerWaalsContact O-CG 3.26Å; T842-N846 PolarHBondContact O-N 3.45Å; T842-N846 PolarHBondContact O-ND2 2.92Å; T842-W892 PolarHBondContact OG1-NE1 3.44Å; T842-D896 HydrophobicContact CG2-CB 4.21Å; T842-D896 PolarHBondContact OG1-OD2 3.44Å |
| 843 | C | 68.7 | Low | 71.8 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 179.1 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | I794 V796 P839 I840 F841 N846 N847 | I794-C843 HydrophobicContact CB-CB 4.45Å; V796-C843 HydrophobicContact CG2-CB 4.26Å; P839-C843 PolarHBondContact O-N 2.79Å; P839-C843 PolarHBondContact O-SG 2.87Å; I840-C843 PolarHBondContact O-N 3.28Å; F841-C843 VanDerWaalsContact C-N 3.32Å; F841-C843 PolarHBondContact O-N 3.26Å; C843-N846 PolarHBondContact O-N 3.11Å; C843-N847 PolarHBondContact O-N 3.4Å |
| 844 | S | 70.6 | Confident | 71.6 | Confident | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | -178.6 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | I801 I840 F841 T842 N847 | I801-S844 WeakPolarHBondContact CD1-OG 3.39Å; I840-S844 WeakPolarHBondContact O-CB 3.43Å; I840-S844 PolarHBondContact O-N 3.27Å; I840-S844 PolarHBondContact O-OG 2.91Å; F841-S844 PolarHBondContact O-N 3.37Å; T842-S844 PolarHBondContact O-N 3Å; S844-N847 CarbonylContact O-C 3.25Å |
| 845 | L | 71.2 | Confident | 71.5 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -46.6 | 174.6 | -71.6 | 169.8 | 0 | 0 | 0 | 110 | F841 T842 N847 I854 V857 I861 W892 M900 | F841-L845 VanDerWaalsContact O-CB 3.32Å; F841-L845 WeakPolarHBondContact O-CB 3.04Å; F841-L845 VanDerWaalsContact O-CG 3.24Å; F841-L845 WeakPolarHBondContact O-CG 3.26Å; F841-L845 PolarHBondContact O-N 3.23Å; T842-L845 PolarHBondContact O-N 2.95Å; L845-N847 VanDerWaalsContact C-N 3.33Å; L845-N847 PolarHBondContact O-N 3.41Å; L845-I854 HydrophobicContact CD2-CG2 4.29Å; L845-V857 HydrophobicContact CD1-CG1 3.87Å; L845-V857 HydrophobicContact CD2-CB 4.47Å; L845-V857 HydrophobicContact CD2-CG1 4.06Å; L845-V857 HydrophobicContact CG-CG1 3.84Å; L845-I861 HydrophobicContact CD1-CD1 4.39Å; L845-W892 HydrophobicContact CD1-CH2 4.34Å; L845-M900 HydrophobicContact CB-CE 3.56Å; L845-M900 WeakPolarHBondContact O-CE 3.47Å |
| 846 | N | 67.3 | Low | 71.6 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.1 | -26.3 | -176.5 | -74.9 | -20.9 | 0 | 0 | 0 | 114 | T842 C843 M900 | T842-N846 WeakPolarHBondContact CG2-ND2 2.95Å; T842-N846 VanDerWaalsContact O-CB 3.3Å; T842-N846 WeakPolarHBondContact O-CB 3.49Å; T842-N846 VanDerWaalsContact O-CG 3.26Å; T842-N846 PolarHBondContact O-N 3.45Å; T842-N846 PolarHBondContact O-ND2 2.92Å; C843-N846 PolarHBondContact O-N 3.11Å; N846-M900 WeakPolarHBondContact OD1-CE 3.08Å |
| 847 | N | 64.4 | Low | 71.8 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -124.9 | 75.4 | 176.3 | -73.3 | -45.8 | 0 | 0 | 0 | 110.6 | C843 S844 L845 M849 | C843-N847 PolarHBondContact O-N 3.4Å; S844-N847 CarbonylContact O-C 3.25Å; L845-N847 VanDerWaalsContact C-N 3.33Å; L845-N847 PolarHBondContact O-N 3.41Å; N847-M849 PolarHBondContact O-N 3.28Å |
| 848 | P | 60 | Low | 72.1 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | trans | -68 | 108.9 | -177.2 | 27.5 | -32.9 | 0 | 0 | 0 | 110.4 | I854 | P848-I854 HydrophobicContact CB-CD1 3.61Å; P848-I854 HydrophobicContact CB-CG1 4.06Å | ||
| 849 | M | 60.2 | Low | 72.2 | Confident | 146 Ų | 146 | 52.4 Ų | 52.4 | 72% | 0.719 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -81.9 | -29.6 | 172.7 | -68.4 | -71.4 | -179.8 | 0 | 0 | 112.1 | N847 M853 | N847-M849 PolarHBondContact O-N 3.28Å; M849-M853 HydrophobicContact CB-CE 4.41Å |
| 850 | D | 69.1 | Low | 72.6 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | trans | -159.2 | 141.7 | -175.9 | -167.8 | -19.2 | 0 | 0 | 0 | 110.7 | I852 M853 I854 | D850-I852 PolarHBondContact O-N 2.97Å; D850-I852 PolarHBondContact OD1-N 2.76Å; D850-I852 VanDerWaalsContact OD1-N 3.15Å; D850-M853 HydrophobicContact CB-CG 4.33Å; D850-M853 WeakPolarHBondContact O-CB 3.2Å; D850-M853 PolarHBondContact O-N 2.91Å; D850-I854 PolarHBondContact O-N 2.92Å | ||
| 851 | D | 71.8 | Confident | 73.1 | Confident | 134 Ų | 134 | 50.4 Ų | 50.4 | 72% | 0.717 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.8 | -32.1 | 174.8 | -73.6 | -24.8 | 0 | 0 | 0 | 111.9 | M853 I854 S855 | D851-M853 VanDerWaalsContact C-N 3.32Å; D851-M853 PolarHBondContact O-N 3.34Å; D851-I854 PolarHBondContact O-N 3.33Å; D851-S855 PolarHBondContact O-N 3.46Å |
| 852 | I | 75.6 | Confident | 73.4 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.1 | -62.6 | 173.6 | 0 | 0 | 0 | 110.6 | D850 S855 M856 | D850-I852 PolarHBondContact O-N 2.97Å; D850-I852 PolarHBondContact OD1-N 2.76Å; D850-I852 VanDerWaalsContact OD1-N 3.15Å; I852-S855 PolarHBondContact O-N 3.12Å; I852-M856 HydrophobicContact CG2-SD 4.21Å; I852-M856 WeakPolarHBondContact O-CG 2.9Å; I852-M856 PolarHBondContact O-N 3.14Å |
| 853 | M | 70.2 | Confident | 73.9 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | -179.8 | -66.7 | -124.2 | -60.2 | 0 | 0 | 111.4 | V796 H798 I801 M849 D850 D851 S855 M856 V857 | V796-M853 WeakPolarHBondContact O-CE 3.46Å; H798-M853 VanDerWaalsContact CA-SD 3.6Å; H798-M853 HydrophobicContact CB-SD 4.13Å; I801-M853 HydrophobicContact CD1-CB 4.25Å; I801-M853 HydrophobicContact CD1-CE 3.59Å; I801-M853 HydrophobicContact CD1-CG 4.44Å; I801-M853 HydrophobicContact CD1-SD 3.43Å; I801-M853 WeakPolarHBondContact CD1-SD 3.39Å; I801-M853 HydrophobicContact CG1-SD 4.15Å; M849-M853 HydrophobicContact CB-CE 4.41Å; D850-M853 HydrophobicContact CB-CG 4.33Å; D850-M853 WeakPolarHBondContact O-CB 3.2Å; D850-M853 PolarHBondContact O-N 2.91Å; D851-M853 VanDerWaalsContact C-N 3.32Å; D851-M853 PolarHBondContact O-N 3.34Å; M853-S855 VanDerWaalsContact C-N 3.34Å; M853-S855 PolarHBondContact O-N 2.9Å; M853-M856 PolarHBondContact O-N 3.29Å; M853-V857 WeakPolarHBondContact O-CG2 3.22Å; M853-V857 PolarHBondContact O-N 3.02Å |
| 854 | I | 74.6 | Confident | 74.6 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 175.7 | -58.3 | 175.7 | 0 | 0 | 0 | 109.9 | L845 P848 D850 D851 M856 V857 I858 | L845-I854 HydrophobicContact CD2-CG2 4.29Å; P848-I854 HydrophobicContact CB-CD1 3.61Å; P848-I854 HydrophobicContact CB-CG1 4.06Å; D850-I854 PolarHBondContact O-N 2.92Å; D851-I854 PolarHBondContact O-N 3.33Å; I854-M856 VanDerWaalsContact C-N 3.35Å; I854-M856 PolarHBondContact O-N 3.05Å; I854-V857 PolarHBondContact O-N 3.29Å; I854-I858 HydrophobicContact CG2-CD1 3.68Å; I854-I858 HydrophobicContact CG2-CG1 4.36Å; I854-I858 WeakPolarHBondContact O-CG1 3.28Å; I854-I858 PolarHBondContact O-N 3.01Å |
| 855 | S | 79.4 | Confident | 75.3 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 177.8 | -168 | 0 | 0 | 0 | 0 | 112.2 | D851 I852 M853 V857 I858 E859 | D851-S855 PolarHBondContact O-N 3.46Å; I852-S855 PolarHBondContact O-N 3.12Å; M853-S855 VanDerWaalsContact C-N 3.34Å; M853-S855 PolarHBondContact O-N 2.9Å; S855-V857 VanDerWaalsContact C-N 3.34Å; S855-V857 PolarHBondContact O-N 3.14Å; S855-I858 PolarHBondContact O-N 2.84Å; S855-E859 WeakPolarHBondContact O-CG 3.43Å; S855-E859 PolarHBondContact O-N 3.41Å |
| 856 | M | 77.5 | Confident | 75.8 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 16% | 0.163 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 178.4 | -70.7 | 176.9 | 67.7 | 0 | 0 | 112.6 | I801 I852 M853 I854 S860 | I801-M856 HydrophobicContact CG2-CB 4.11Å; I801-M856 HydrophobicContact CG2-CE 4.22Å; I852-M856 HydrophobicContact CG2-SD 4.21Å; I852-M856 WeakPolarHBondContact O-CG 2.9Å; I852-M856 PolarHBondContact O-N 3.14Å; M853-M856 PolarHBondContact O-N 3.29Å; I854-M856 VanDerWaalsContact C-N 3.35Å; I854-M856 PolarHBondContact O-N 3.05Å; M856-S860 WeakPolarHBondContact O-CB 3.46Å; M856-S860 PolarHBondContact O-N 3.2Å; M856-S860 PolarHBondContact O-OG 3.05Å |
| 857 | V | 77.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | I801 F841 L845 M853 I854 S855 E859 S860 I861 | I801-V857 HydrophobicContact CD1-CG2 4.15Å; I801-V857 HydrophobicContact CG2-CG2 4.13Å; F841-V857 HydrophobicContact CB-CG1 3.72Å; F841-V857 HydrophobicContact CD1-CG1 3.96Å; F841-V857 HydrophobicContact CD1-CG2 4.01Å; F841-V857 HydrophobicContact CD2-CG1 4.49Å; F841-V857 HydrophobicContact CG-CG1 3.82Å; L845-V857 HydrophobicContact CD1-CG1 3.87Å; L845-V857 HydrophobicContact CD2-CB 4.47Å; L845-V857 HydrophobicContact CD2-CG1 4.06Å; L845-V857 HydrophobicContact CG-CG1 3.84Å; M853-V857 WeakPolarHBondContact O-CG2 3.22Å; M853-V857 PolarHBondContact O-N 3.02Å; I854-V857 PolarHBondContact O-N 3.29Å; S855-V857 VanDerWaalsContact C-N 3.34Å; S855-V857 PolarHBondContact O-N 3.14Å; V857-E859 PolarHBondContact O-N 3.48Å; V857-S860 WeakPolarHBondContact O-CB 3.3Å; V857-S860 PolarHBondContact O-N 3.04Å; V857-S860 VanDerWaalsContact O-N 3.11Å; V857-I861 HydrophobicContact CG1-CD1 4.05Å; V857-I861 WeakPolarHBondContact O-CG1 3.24Å; V857-I861 PolarHBondContact O-N 3.49Å |
| 858 | I | 80.6 | Confident | 77.5 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.4 | -67.9 | 166.4 | 0 | 0 | 0 | 111.1 | I854 S855 S860 I861 H862 E902 | I854-I858 HydrophobicContact CG2-CD1 3.68Å; I854-I858 HydrophobicContact CG2-CG1 4.36Å; I854-I858 WeakPolarHBondContact O-CG1 3.28Å; I854-I858 PolarHBondContact O-N 3.01Å; S855-I858 PolarHBondContact O-N 2.84Å; I858-S860 VanDerWaalsContact C-N 3.26Å; I858-S860 PolarHBondContact O-N 2.8Å; I858-I861 PolarHBondContact O-N 3.22Å; I858-H862 WeakPolarHBondContact CG2-ND1 3.24Å; I858-H862 PolarHBondContact O-N 2.92Å; I858-H862 PolarHBondContact O-ND1 3.32Å; I858-E902 VanDerWaalsContact CD1-OE1 3.29Å; I858-E902 WeakPolarHBondContact CD1-OE1 3.49Å; I858-E902 VanDerWaalsContact CD1-OE2 3.23Å; I858-E902 WeakPolarHBondContact CD1-OE2 3.47Å; I858-E902 WeakPolarHBondContact CG1-OE2 3.22Å |
| 859 | E | 81.4 | Confident | 78.6 | Confident | 127 Ų | 127 | 49.5 Ų | 49.5 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.2 | -38.4 | 175.2 | -75.6 | 179.4 | -179.7 | 0 | 0 | 112 | S855 V857 H862 C863 | S855-E859 WeakPolarHBondContact O-CG 3.43Å; S855-E859 PolarHBondContact O-N 3.41Å; V857-E859 PolarHBondContact O-N 3.48Å; E859-H862 PolarHBondContact O-N 3.47Å; E859-C863 WeakPolarHBondContact O-CB 3.31Å; E859-C863 PolarHBondContact O-N 3.32Å |
| 860 | S | 80.9 | Confident | 79.6 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 177 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | S805 M856 V857 I858 C863 I864 | S805-S860 PolarHBondContact OG-OG 3.38Å; M856-S860 WeakPolarHBondContact O-CB 3.46Å; M856-S860 PolarHBondContact O-N 3.2Å; M856-S860 PolarHBondContact O-OG 3.05Å; V857-S860 WeakPolarHBondContact O-CB 3.3Å; V857-S860 PolarHBondContact O-N 3.04Å; V857-S860 VanDerWaalsContact O-N 3.11Å; I858-S860 VanDerWaalsContact C-N 3.26Å; I858-S860 PolarHBondContact O-N 2.8Å; S860-C863 WeakPolarHBondContact O-CB 3.46Å; S860-C863 PolarHBondContact O-N 3.03Å; S860-I864 WeakPolarHBondContact O-CG1 3.46Å; S860-I864 PolarHBondContact O-N 3.12Å |
| 861 | I | 82.9 | Confident | 80 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.8 | -66.7 | 166.6 | 0 | 0 | 0 | 110.7 | L845 V857 I858 C863 I864 F865 F889 W892 L893 F906 L909 | L845-I861 HydrophobicContact CD1-CD1 4.39Å; V857-I861 HydrophobicContact CG1-CD1 4.05Å; V857-I861 WeakPolarHBondContact O-CG1 3.24Å; V857-I861 PolarHBondContact O-N 3.49Å; I858-I861 PolarHBondContact O-N 3.22Å; I861-C863 VanDerWaalsContact C-N 3.32Å; I861-C863 PolarHBondContact O-N 3.38Å; I861-I864 PolarHBondContact O-N 3.48Å; I861-F865 PolarHBondContact O-N 3.24Å; I861-F889 HydrophobicContact CG2-CE2 4.4Å; I861-F889 HydrophobicContact CG2-CZ 4.01Å; I861-W892 HydrophobicContact CD1-CH2 3.82Å; I861-W892 HydrophobicContact CD1-CZ3 4.05Å; I861-W892 HydrophobicContact CG1-CH2 4.25Å; I861-W892 HydrophobicContact CG1-CZ3 4.24Å; I861-L893 HydrophobicContact CG2-CD2 4.35Å; I861-F906 HydrophobicContact CD1-CE1 3.85Å; I861-F906 HydrophobicContact CD1-CZ 3.83Å; I861-F906 HydrophobicContact CG2-CD1 4.33Å; I861-F906 HydrophobicContact CG2-CE1 4.06Å; I861-L909 HydrophobicContact CG2-CD1 4.29Å |
| 862 | H | 84.3 | Confident | 80.3 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.6 | -73.5 | 92.7 | 0 | 0 | 0 | 111.6 | I858 E859 I864 F865 Y866 | I858-H862 WeakPolarHBondContact CG2-ND1 3.24Å; I858-H862 PolarHBondContact O-N 2.92Å; I858-H862 PolarHBondContact O-ND1 3.32Å; E859-H862 PolarHBondContact O-N 3.47Å; H862-I864 VanDerWaalsContact C-N 3.31Å; H862-I864 PolarHBondContact O-N 3.37Å; H862-F865 PolarHBondContact O-N 3.37Å; H862-Y866 HydrophobicContact CB-CD2 4.24Å; H862-Y866 HydrophobicContact CB-CE2 3.98Å; H862-Y866 WeakPolarHBondContact O-CD2 3.31Å; H862-Y866 PolarHBondContact O-N 2.93Å |
| 863 | C | 82.7 | Confident | 80.4 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | K812 E859 S860 I861 T867 | K812-C863 WeakPolarHBondContact CD-SG 3.13Å; E859-C863 WeakPolarHBondContact O-CB 3.31Å; E859-C863 PolarHBondContact O-N 3.32Å; S860-C863 WeakPolarHBondContact O-CB 3.46Å; S860-C863 PolarHBondContact O-N 3.03Å; I861-C863 VanDerWaalsContact C-N 3.32Å; I861-C863 PolarHBondContact O-N 3.38Å; C863-T867 WeakPolarHBondContact O-CB 3.5Å; C863-T867 PolarHBondContact O-N 2.93Å; C863-T867 VanDerWaalsContact O-N 3.08Å; C863-T867 PolarHBondContact O-OG1 3.15Å |
| 864 | I | 83.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -50 | 176 | -65.6 | 160.4 | 0 | 0 | 0 | 110.8 | L808 Y830 L834 L838 F841 S860 I861 H862 Y866 T867 F868 F889 | L808-I864 HydrophobicContact CD1-CD1 4.13Å; L808-I864 HydrophobicContact CD1-CG1 4.33Å; L808-I864 HydrophobicContact CD2-CD1 4.38Å; L808-I864 HydrophobicContact CD2-CG1 4.04Å; Y830-I864 HydrophobicContact CE1-CG2 4.37Å; Y830-I864 WeakPolarHBondContact OH-CA 3.42Å; Y830-I864 WeakPolarHBondContact OH-CG1 3.46Å; L834-I864 HydrophobicContact CD2-CD1 3.67Å; L834-I864 HydrophobicContact CD2-CG1 4.07Å; L834-I864 HydrophobicContact CD2-CG2 3.97Å; L838-I864 HydrophobicContact CD2-CD1 4.42Å; F841-I864 HydrophobicContact CE2-CD1 4.04Å; S860-I864 WeakPolarHBondContact O-CG1 3.46Å; S860-I864 PolarHBondContact O-N 3.12Å; I861-I864 PolarHBondContact O-N 3.48Å; H862-I864 VanDerWaalsContact C-N 3.31Å; H862-I864 PolarHBondContact O-N 3.37Å; I864-Y866 PolarHBondContact O-N 2.94Å; I864-T867 WeakPolarHBondContact O-CB 3.48Å; I864-T867 PolarHBondContact O-N 2.98Å; I864-F868 HydrophobicContact CG2-CD2 3.86Å; I864-F868 HydrophobicContact CG2-CE2 3.53Å; I864-F868 HydrophobicContact CG2-CZ 4.14Å; I864-F868 PolarHBondContact O-N 2.7Å; I864-F889 HydrophobicContact CB-CE2 4.12Å; I864-F889 HydrophobicContact CB-CZ 4.04Å; I864-F889 HydrophobicContact CD1-CE2 4.23Å; I864-F889 HydrophobicContact CG2-CD1 4.04Å; I864-F889 HydrophobicContact CG2-CD2 3.8Å; I864-F889 HydrophobicContact CG2-CE1 3.89Å; I864-F889 HydrophobicContact CG2-CE2 3.66Å; I864-F889 HydrophobicContact CG2-CG 3.98Å; I864-F889 HydrophobicContact CG2-CZ 3.69Å |
| 865 | F | 84.8 | Confident | 80.6 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.8 | -50.8 | 178.8 | 172.4 | -95.7 | 0 | 0 | 0 | 112.3 | I861 H862 T867 F868 H869 F889 L909 L913 | I861-F865 PolarHBondContact O-N 3.24Å; H862-F865 PolarHBondContact O-N 3.37Å; F865-T867 VanDerWaalsContact C-N 3.27Å; F865-T867 PolarHBondContact O-N 2.82Å; F865-F868 PolarHBondContact O-N 3.03Å; F865-H869 WeakPolarHBondContact O-CB 3.35Å; F865-H869 PolarHBondContact O-N 2.68Å; F865-F889 HydrophobicContact CB-CE1 4.41Å; F865-L909 HydrophobicContact CD1-CD2 3.93Å; F865-L909 HydrophobicContact CD2-CB 3.9Å; F865-L909 HydrophobicContact CD2-CD2 3.69Å; F865-L909 HydrophobicContact CD2-CG 4.28Å; F865-L909 HydrophobicContact CE1-CD2 3.97Å; F865-L909 HydrophobicContact CE2-CB 4.11Å; F865-L909 HydrophobicContact CE2-CD2 3.74Å; F865-L909 HydrophobicContact CG-CD2 3.8Å; F865-L909 HydrophobicContact CZ-CD2 3.88Å; F865-L913 HydrophobicContact CD2-CD1 3.56Å; F865-L913 HydrophobicContact CD2-CG 3.83Å; F865-L913 HydrophobicContact CE2-CD1 4.02Å; F865-L913 HydrophobicContact CE2-CG 3.8Å |
| 866 | Y | 83.5 | Confident | 80 | Confident | 126 Ų | 126 | 46.6 Ų | 46.6 | 49% | 0.494 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.1 | -32 | -179.8 | -70.5 | -54.9 | 0 | 0 | 0 | 112.6 | H862 I864 Y870 | H862-Y866 HydrophobicContact CB-CD2 4.24Å; H862-Y866 HydrophobicContact CB-CE2 3.98Å; H862-Y866 WeakPolarHBondContact O-CD2 3.31Å; H862-Y866 PolarHBondContact O-N 2.93Å; I864-Y866 PolarHBondContact O-N 2.94Å; Y866-Y870 VanDerWaalsContact O-CB 3.28Å; Y866-Y870 WeakPolarHBondContact O-CB 3.41Å; Y866-Y870 PolarHBondContact O-N 3.1Å |
| 867 | T | 81.9 | Confident | 79.7 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | L815 Y830 C863 I864 F865 Y870 I871 | L815-T867 HydrophobicContact CD1-CG2 3.69Å; Y830-T867 HydrophobicContact CE2-CG2 4.24Å; C863-T867 WeakPolarHBondContact O-CB 3.5Å; C863-T867 PolarHBondContact O-N 2.93Å; C863-T867 VanDerWaalsContact O-N 3.08Å; C863-T867 PolarHBondContact O-OG1 3.15Å; I864-T867 WeakPolarHBondContact O-CB 3.48Å; I864-T867 PolarHBondContact O-N 2.98Å; F865-T867 VanDerWaalsContact C-N 3.27Å; F865-T867 PolarHBondContact O-N 2.82Å; T867-Y870 PolarHBondContact O-N 3.33Å; T867-I871 HydrophobicContact CG2-CD1 4Å; T867-I871 WeakPolarHBondContact O-CD1 3.33Å; T867-I871 VanDerWaalsContact O-CG1 3.26Å; T867-I871 WeakPolarHBondContact O-CG1 3.4Å; T867-I871 PolarHBondContact O-N 2.98Å; T867-I871 VanDerWaalsContact O-N 3.13Å |
| 868 | F | 85.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.2 | -68.5 | -29.4 | 0 | 0 | 0 | 113.1 | F827 Y830 L834 I864 F865 Y870 I871 L872 P885 I886 F889 L913 | F827-F868 HydrophobicContact CE1-CD1 4.08Å; F827-F868 AromaticContact CE1-CE1 3.65Å; F827-F868 HydrophobicContact CE1-CE1 3.65Å; F827-F868 AromaticContact CZ-CD1 3.85Å; F827-F868 HydrophobicContact CZ-CD1 3.85Å; F827-F868 AromaticContact CZ-CE1 3.75Å; F827-F868 HydrophobicContact CZ-CE1 3.75Å; Y830-F868 AromaticContact CD1-CE1 3.9Å; Y830-F868 HydrophobicContact CD1-CE1 3.9Å; Y830-F868 HydrophobicContact CD1-CZ 4.14Å; Y830-F868 HydrophobicContact CE1-CD1 4.44Å; Y830-F868 AromaticContact CE1-CE1 3.53Å; Y830-F868 HydrophobicContact CE1-CE1 3.53Å; Y830-F868 AromaticContact CE1-CZ 3.65Å; Y830-F868 HydrophobicContact CE1-CZ 3.65Å; L834-F868 HydrophobicContact CD1-CE2 4.27Å; L834-F868 HydrophobicContact CD1-CZ 3.6Å; I864-F868 HydrophobicContact CG2-CD2 3.86Å; I864-F868 HydrophobicContact CG2-CE2 3.53Å; I864-F868 HydrophobicContact CG2-CZ 4.14Å; I864-F868 PolarHBondContact O-N 2.7Å; F865-F868 PolarHBondContact O-N 3.03Å; F868-Y870 PolarHBondContact O-N 3.21Å; F868-I871 PolarHBondContact O-N 3.47Å; F868-L872 WeakPolarHBondContact O-CB 3.48Å; F868-L872 WeakPolarHBondContact O-CG 3.38Å; F868-L872 PolarHBondContact O-N 3.25Å; F868-P885 HydrophobicContact CE1-CB 4.27Å; F868-P885 HydrophobicContact CZ-CB 4.07Å; F868-I886 HydrophobicContact CB-CG1 4.24Å; F868-I886 HydrophobicContact CD1-CD1 4.39Å; F868-I886 HydrophobicContact CD1-CG1 3.66Å; F868-I886 HydrophobicContact CD2-CG1 4.03Å; F868-I886 HydrophobicContact CD2-CG2 4.49Å; F868-I886 HydrophobicContact CE1-CG1 3.8Å; F868-I886 HydrophobicContact CE2-CB 4.48Å; F868-I886 HydrophobicContact CE2-CG1 4.15Å; F868-I886 HydrophobicContact CG-CD1 4.5Å; F868-I886 HydrophobicContact CG-CG1 3.74Å; F868-I886 HydrophobicContact CZ-CG1 4Å; F868-F889 AromaticContact CD2-CD1 3.82Å; F868-F889 HydrophobicContact CD2-CD1 3.82Å; F868-F889 HydrophobicContact CD2-CE1 4.36Å; F868-F889 HydrophobicContact CD2-CG 4.4Å; F868-F889 HydrophobicContact CE2-CB 3.65Å; F868-F889 AromaticContact CE2-CD1 3.67Å; F868-F889 HydrophobicContact CE2-CD1 3.67Å; F868-F889 HydrophobicContact CE2-CE1 4.49Å; F868-F889 AromaticContact CE2-CG 3.79Å; F868-F889 HydrophobicContact CE2-CG 3.79Å; F868-F889 HydrophobicContact CZ-CB 4.44Å; F868-L913 HydrophobicContact CB-CD2 3.6Å; F868-L913 HydrophobicContact CD2-CD1 4.47Å; F868-L913 HydrophobicContact CD2-CD2 4.45Å |
| 869 | H | 83 | Confident | 79.1 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 176.6 | -169.8 | -70.9 | 0 | 0 | 0 | 111.7 | F865 I871 L872 E873 N916 | F865-H869 WeakPolarHBondContact O-CB 3.35Å; F865-H869 PolarHBondContact O-N 2.68Å; H869-I871 VanDerWaalsContact C-N 3.3Å; H869-I871 PolarHBondContact O-N 3.43Å; H869-L872 PolarHBondContact O-N 3.39Å; H869-E873 WeakPolarHBondContact O-CB 3.49Å; H869-E873 PolarHBondContact O-N 3.06Å; H869-N916 PolarHBondContact CD2-ND2 2.9Å; H869-N916 PolarHBondContact NE2-ND2 3.29Å |
| 870 | Y | 80.6 | Confident | 78.8 | Confident | 69 Ų | 69 | 47 Ų | 47 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.7 | -39.8 | 178.4 | 177.7 | -102.9 | 0 | 0 | 0 | 112.5 | T816 F820 Y866 T867 F868 E873 K874 | T816-Y870 HydrophobicContact CG2-CD1 4.14Å; T816-Y870 HydrophobicContact CG2-CE1 3.87Å; F820-Y870 AromaticContact CE2-CE1 3.74Å; F820-Y870 HydrophobicContact CE2-CE1 3.74Å; F820-Y870 HydrophobicContact CZ-CD1 4.17Å; F820-Y870 AromaticContact CZ-CE1 3.37Å; F820-Y870 HydrophobicContact CZ-CE1 3.37Å; F820-Y870 AromaticContact CZ-CZ 3.91Å; Y866-Y870 VanDerWaalsContact O-CB 3.28Å; Y866-Y870 WeakPolarHBondContact O-CB 3.41Å; Y866-Y870 PolarHBondContact O-N 3.1Å; T867-Y870 PolarHBondContact O-N 3.33Å; F868-Y870 PolarHBondContact O-N 3.21Å; Y870-E873 PolarHBondContact O-N 3.35Å; Y870-K874 HydrophobicContact CD2-CG 4.19Å; Y870-K874 HydrophobicContact CE1-CG 4.26Å; Y870-K874 HydrophobicContact CE2-CG 3.82Å; Y870-K874 WeakPolarHBondContact O-CB 3.47Å; Y870-K874 WeakPolarHBondContact O-CG 3.35Å; Y870-K874 PolarHBondContact O-N 3.33Å |
| 871 | I | 77.1 | Confident | 78.4 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.6 | -42 | 179.8 | -68.4 | 169.6 | 0 | 0 | 0 | 111.2 | L815 L823 F827 T867 F868 H869 E873 K874 Y875 I882 | L815-I871 HydrophobicContact CD1-CD1 4.43Å; L823-I871 HydrophobicContact CD2-CG2 4.03Å; F827-I871 HydrophobicContact CD2-CD1 4.41Å; F827-I871 HydrophobicContact CE2-CD1 3.21Å; F827-I871 HydrophobicContact CZ-CD1 3.4Å; F827-I871 VanDerWaalsContact CZ-CD1 3.4Å; T867-I871 HydrophobicContact CG2-CD1 4Å; T867-I871 WeakPolarHBondContact O-CD1 3.33Å; T867-I871 VanDerWaalsContact O-CG1 3.26Å; T867-I871 WeakPolarHBondContact O-CG1 3.4Å; T867-I871 PolarHBondContact O-N 2.98Å; T867-I871 VanDerWaalsContact O-N 3.13Å; F868-I871 PolarHBondContact O-N 3.47Å; H869-I871 VanDerWaalsContact C-N 3.3Å; H869-I871 PolarHBondContact O-N 3.43Å; I871-E873 PolarHBondContact O-N 3.38Å; I871-K874 PolarHBondContact O-N 2.85Å; I871-Y875 VanDerWaalsContact O-CB 3.25Å; I871-Y875 WeakPolarHBondContact O-CB 3.37Å; I871-Y875 PolarHBondContact O-N 3.45Å; I871-I882 HydrophobicContact CG2-CG2 4.22Å |
| 872 | L | 77.7 | Confident | 78.2 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -31.3 | 173 | -72 | 173.6 | 0 | 0 | 0 | 111.4 | F868 H869 I886 L913 N916 I917 K920 | F868-L872 WeakPolarHBondContact O-CB 3.48Å; F868-L872 WeakPolarHBondContact O-CG 3.38Å; F868-L872 PolarHBondContact O-N 3.25Å; H869-L872 PolarHBondContact O-N 3.39Å; L872-I886 HydrophobicContact CD1-CD1 4.3Å; L872-I886 HydrophobicContact CD2-CD1 4.05Å; L872-I886 HydrophobicContact CG-CD1 4.16Å; L872-L913 HydrophobicContact CD1-CD2 3.98Å; L872-N916 HydrophobicContact CD1-CB 4.11Å; L872-I917 HydrophobicContact CD1-CD1 4.49Å; L872-I917 HydrophobicContact CD1-CG1 3.83Å; L872-I917 HydrophobicContact CD2-CG1 3.94Å; L872-K920 HydrophobicContact CD2-CD 4.37Å; L872-K920 WeakPolarHBondContact O-CE 3.46Å; L872-K920 PolarHBondContact O-NZ 3.1Å |
| 873 | E | 78 | Confident | 78 | Confident | 123 Ų | 123 | 46.1 Ų | 46.1 | 58% | 0.575 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -77.8 | -39.4 | 176.1 | -165 | -171.3 | 151.8 | 0 | 0 | 113.5 | H869 Y870 I871 | H869-E873 WeakPolarHBondContact O-CB 3.49Å; H869-E873 PolarHBondContact O-N 3.06Å; Y870-E873 PolarHBondContact O-N 3.35Å; I871-E873 PolarHBondContact O-N 3.38Å |
| 874 | K | 75.9 | Confident | 77.8 | Confident | 109 Ų | 109 | 50.3 Ų | 50.3 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -95.9 | -30.7 | -171.6 | -68.1 | -64 | -177.7 | -167.1 | 0 | 115.6 | F820 Y870 I871 | F820-K874 HydrophobicContact CE1-CB 3.65Å; F820-K874 HydrophobicContact CZ-CB 3.49Å; F820-K874 VanDerWaalsContact CZ-CB 3.49Å; F820-K874 HydrophobicContact CZ-CG 3.99Å; Y870-K874 HydrophobicContact CD2-CG 4.19Å; Y870-K874 HydrophobicContact CE1-CG 4.26Å; Y870-K874 HydrophobicContact CE2-CG 3.82Å; Y870-K874 WeakPolarHBondContact O-CB 3.47Å; Y870-K874 WeakPolarHBondContact O-CG 3.35Å; Y870-K874 PolarHBondContact O-N 3.33Å; I871-K874 PolarHBondContact O-N 2.85Å |
| 875 | Y | 74 | Confident | 77.6 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | trans | -92.8 | 108.5 | -172.1 | -172.5 | -108.7 | 0 | 0 | 0 | 111 | L823 I871 K877 I882 K920 | L823-Y875 HydrophobicContact CB-CE2 4.31Å; L823-Y875 HydrophobicContact CD2-CD1 3.78Å; L823-Y875 HydrophobicContact CD2-CD2 3.43Å; L823-Y875 VanDerWaalsContact CD2-CD2 3.43Å; L823-Y875 HydrophobicContact CD2-CE1 4.03Å; L823-Y875 HydrophobicContact CD2-CE2 3.66Å; L823-Y875 HydrophobicContact CD2-CG 3.47Å; L823-Y875 VanDerWaalsContact CD2-CG 3.47Å; I871-Y875 VanDerWaalsContact O-CB 3.25Å; I871-Y875 WeakPolarHBondContact O-CB 3.37Å; I871-Y875 PolarHBondContact O-N 3.45Å; Y875-K877 VanDerWaalsContact C-N 3.32Å; Y875-K877 HydrophobicContact CD1-CB 4.46Å; Y875-K877 WeakPolarHBondContact CD1-O 3.27Å; Y875-K877 HydrophobicContact CE1-CB 3.77Å; Y875-K877 WeakPolarHBondContact CE1-O 3.46Å; Y875-K877 PolarHBondContact O-N 3.31Å; Y875-I882 HydrophobicContact CD1-CD1 3.17Å; Y875-I882 HydrophobicContact CE1-CD1 3.09Å; Y875-I882 HydrophobicContact CG-CD1 4.13Å; Y875-K920 VanDerWaalsContact O-CE 3.22Å; Y875-K920 WeakPolarHBondContact O-CE 3.42Å; Y875-K920 PolarHBondContact O-NZ 3Å | ||
| 876 | N | 66.8 | Low | 77.6 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 75% | 0.749 | 23% | 0.228 | S | C | * | . | trans | -73.4 | -13.1 | -169.3 | -70.9 | -19.6 | 0 | 0 | 0 | 115.8 | ||||
| 877 | K | 70.9 | Confident | 77.5 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -98.5 | 145.7 | 178.5 | -162.1 | 178.1 | -178.1 | -169.5 | 0 | 110.6 | Y875 E967 | Y875-K877 VanDerWaalsContact C-N 3.32Å; Y875-K877 HydrophobicContact CD1-CB 4.46Å; Y875-K877 WeakPolarHBondContact CD1-O 3.27Å; Y875-K877 HydrophobicContact CE1-CB 3.77Å; Y875-K877 WeakPolarHBondContact CE1-O 3.46Å; Y875-K877 PolarHBondContact O-N 3.31Å; K877-E967 IonicContact NZ-OE2 3.77Å; K877-E967 PolarHBondContact NZ-OE2 3.42Å |
| 878 | L | 72.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -101 | 124.2 | 166.6 | -92.8 | 156.8 | 0 | 0 | 0 | 107.8 | L883 K920 I921 L924 | L878-L883 HydrophobicContact CD2-CD1 3.94Å; L878-L883 HydrophobicContact CD2-CD2 3.46Å; L878-L883 VanDerWaalsContact CD2-CD2 3.46Å; L878-L883 HydrophobicContact CD2-CG 3.73Å; L878-K920 HydrophobicContact CD1-CB 4.13Å; L878-K920 HydrophobicContact CD1-CD 4.23Å; L878-K920 HydrophobicContact CD1-CG 3.95Å; L878-K920 HydrophobicContact CG-CD 4.41Å; L878-I921 HydrophobicContact CD1-CG1 3.85Å; L878-L924 HydrophobicContact CB-CD1 4.18Å; L878-L924 HydrophobicContact CD1-CD1 3.58Å; L878-L924 HydrophobicContact CG-CD1 4.25Å | ||
| 879 | D | 73.9 | Confident | 77.4 | Confident | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | trans | -132.1 | 145.5 | -176.1 | -172.5 | -46.3 | 0 | 0 | 0 | 108.4 | T881 I882 L883 | D879-T881 PolarHBondContact O-N 3.18Å; D879-T881 WeakPolarHBondContact OD1-CB 3.45Å; D879-T881 WeakPolarHBondContact OD1-CG2 3.39Å; D879-T881 PolarHBondContact OD1-N 3.35Å; D879-T881 PolarHBondContact OD1-OG1 2.99Å; D879-I882 HydrophobicContact CB-CD1 4.42Å; D879-I882 PolarHBondContact O-N 3.37Å; D879-L883 PolarHBondContact O-N 2.96Å | ||
| 880 | E | 74 | Confident | 77.2 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.2 | -34.2 | 177.2 | -168 | 175.5 | 168.5 | 0 | 0 | 111.7 | I882 L883 K884 I971 | E880-I882 PolarHBondContact O-N 3.28Å; E880-L883 PolarHBondContact O-N 2.77Å; E880-K884 VanDerWaalsContact O-CB 3.27Å; E880-K884 WeakPolarHBondContact O-CB 3.44Å; E880-K884 PolarHBondContact O-N 2.7Å; E880-I971 HydrophobicContact CB-CG1 4.46Å |
| 881 | T | 72.8 | Confident | 77 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -29.8 | 175 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | P824 F827 I828 D879 P885 | P824-T881 HydrophobicContact CB-CG2 4.28Å; F827-T881 WeakPolarHBondContact CD1-O 3.41Å; I828-T881 HydrophobicContact CG1-CG2 4.45Å; D879-T881 PolarHBondContact O-N 3.18Å; D879-T881 WeakPolarHBondContact OD1-CB 3.45Å; D879-T881 WeakPolarHBondContact OD1-CG2 3.39Å; D879-T881 PolarHBondContact OD1-N 3.35Å; D879-T881 PolarHBondContact OD1-OG1 2.99Å; T881-P885 WeakPolarHBondContact O-CD 3.29Å; T881-P885 WeakPolarHBondContact O-CG 3.34Å |
| 882 | I | 78.3 | Confident | 77.2 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -93.2 | -39.9 | -180 | -60.4 | 170.3 | 0 | 0 | 0 | 111.9 | L823 F827 I871 Y875 D879 E880 P885 I886 | L823-I882 HydrophobicContact CD2-CD1 3.51Å; L823-I882 HydrophobicContact CD2-CG1 4.19Å; F827-I882 HydrophobicContact CD1-CB 4.25Å; F827-I882 HydrophobicContact CD1-CG1 4.24Å; F827-I882 HydrophobicContact CD1-CG2 4.34Å; F827-I882 HydrophobicContact CE1-CB 4.42Å; F827-I882 HydrophobicContact CE1-CG2 4.01Å; F827-I882 HydrophobicContact CG-CG1 4.34Å; I871-I882 HydrophobicContact CG2-CG2 4.22Å; Y875-I882 HydrophobicContact CD1-CD1 3.17Å; Y875-I882 HydrophobicContact CE1-CD1 3.09Å; Y875-I882 HydrophobicContact CG-CD1 4.13Å; D879-I882 HydrophobicContact CB-CD1 4.42Å; D879-I882 PolarHBondContact O-N 3.37Å; E880-I882 PolarHBondContact O-N 3.28Å; I882-P885 WeakPolarHBondContact O-CD 3.45Å; I882-I886 HydrophobicContact CG2-CD1 3.84Å; I882-I886 WeakPolarHBondContact O-CD1 3.17Å; I882-I886 VanDerWaalsContact O-CG1 3.32Å; I882-I886 WeakPolarHBondContact O-CG1 3.33Å |
| 883 | L | 79.7 | Confident | 77.2 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -38.5 | -177.9 | -75.9 | -179.6 | 0 | 0 | 0 | 112.3 | L878 D879 E880 I886 Q887 I917 I971 F975 | L878-L883 HydrophobicContact CD2-CD1 3.94Å; L878-L883 HydrophobicContact CD2-CD2 3.46Å; L878-L883 VanDerWaalsContact CD2-CD2 3.46Å; L878-L883 HydrophobicContact CD2-CG 3.73Å; D879-L883 PolarHBondContact O-N 2.96Å; E880-L883 PolarHBondContact O-N 2.77Å; L883-I886 PolarHBondContact O-N 3.44Å; L883-Q887 VanDerWaalsContact O-CB 3.29Å; L883-Q887 WeakPolarHBondContact O-CB 3.36Å; L883-Q887 PolarHBondContact O-N 3.13Å; L883-I917 HydrophobicContact CD2-CD1 4.17Å; L883-I917 HydrophobicContact CD2-CG1 4.42Å; L883-I917 HydrophobicContact CD2-CG2 3.97Å; L883-I971 HydrophobicContact CD1-CG2 3.49Å; L883-I971 VanDerWaalsContact CD1-CG2 3.49Å; L883-F975 HydrophobicContact CB-CD2 3.96Å; L883-F975 HydrophobicContact CB-CE2 4.44Å; L883-F975 HydrophobicContact CD1-CB 3.96Å; L883-F975 HydrophobicContact CD1-CD2 4.31Å; L883-F975 HydrophobicContact CD1-CG 4.06Å; L883-F975 HydrophobicContact CD2-CD2 4.13Å; L883-F975 HydrophobicContact CD2-CE2 4.1Å; L883-F975 HydrophobicContact CD2-CG 4.38Å; L883-F975 HydrophobicContact CD2-CZ 4.35Å; L883-F975 HydrophobicContact CG-CD2 4.38Å |
| 884 | K | 79.8 | Confident | 76.9 | Confident | 99 Ų | 99 | 36.5 Ų | 36.5 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.8 | -42 | -175.9 | -163.6 | 178.3 | -170.8 | 167.1 | 0 | 113.4 | E880 Y888 | E880-K884 VanDerWaalsContact O-CB 3.27Å; E880-K884 WeakPolarHBondContact O-CB 3.44Å; E880-K884 PolarHBondContact O-N 2.7Å; K884-Y888 WeakPolarHBondContact O-CB 3.22Å; K884-Y888 PolarHBondContact O-N 3.47Å |
| 885 | P | 79.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | 174.2 | -26.5 | 41.2 | 0 | 0 | 0 | 113.4 | F827 H831 L834 F868 T881 I882 F889 | F827-P885 HydrophobicContact CD1-CB 4.11Å; F827-P885 HydrophobicContact CD1-CG 3.74Å; F827-P885 HydrophobicContact CE1-CB 4.19Å; F827-P885 HydrophobicContact CE1-CG 4.3Å; H831-P885 HydrophobicContact CB-CB 4.23Å; H831-P885 HydrophobicContact CB-CG 3.53Å; L834-P885 HydrophobicContact CD1-CB 3.95Å; F868-P885 HydrophobicContact CE1-CB 4.27Å; F868-P885 HydrophobicContact CZ-CB 4.07Å; T881-P885 WeakPolarHBondContact O-CD 3.29Å; T881-P885 WeakPolarHBondContact O-CG 3.34Å; I882-P885 WeakPolarHBondContact O-CD 3.45Å; P885-F889 PolarHBondContact O-N 3.41Å; P885-F889 VanDerWaalsContact O-N 3.13Å |
| 886 | I | 84.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.6 | -43.1 | 177.6 | -60.5 | 167.7 | 0 | 0 | 0 | 110.2 | F868 L872 I882 L883 F889 I890 L913 I917 | F868-I886 HydrophobicContact CB-CG1 4.24Å; F868-I886 HydrophobicContact CD1-CD1 4.39Å; F868-I886 HydrophobicContact CD1-CG1 3.66Å; F868-I886 HydrophobicContact CD2-CG1 4.03Å; F868-I886 HydrophobicContact CD2-CG2 4.49Å; F868-I886 HydrophobicContact CE1-CG1 3.8Å; F868-I886 HydrophobicContact CE2-CB 4.48Å; F868-I886 HydrophobicContact CE2-CG1 4.15Å; F868-I886 HydrophobicContact CG-CD1 4.5Å; F868-I886 HydrophobicContact CG-CG1 3.74Å; F868-I886 HydrophobicContact CZ-CG1 4Å; L872-I886 HydrophobicContact CD1-CD1 4.3Å; L872-I886 HydrophobicContact CD2-CD1 4.05Å; L872-I886 HydrophobicContact CG-CD1 4.16Å; I882-I886 HydrophobicContact CG2-CD1 3.84Å; I882-I886 WeakPolarHBondContact O-CD1 3.17Å; I882-I886 VanDerWaalsContact O-CG1 3.32Å; I882-I886 WeakPolarHBondContact O-CG1 3.33Å; L883-I886 PolarHBondContact O-N 3.44Å; I886-F889 PolarHBondContact O-N 2.93Å; I886-I890 HydrophobicContact CG2-CD1 3.75Å; I886-I890 HydrophobicContact CG2-CG1 4.23Å; I886-I890 VanDerWaalsContact O-CG1 3.3Å; I886-I890 WeakPolarHBondContact O-CG1 3.12Å; I886-I890 PolarHBondContact O-N 2.98Å; I886-L913 HydrophobicContact CG2-CD2 4.15Å; I886-I917 HydrophobicContact CB-CD1 4.47Å; I886-I917 HydrophobicContact CG2-CD1 3.68Å |
| 887 | Q | 82.2 | Confident | 75.1 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 8% | 0.075 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.9 | -52.8 | 174.8 | -174.7 | -172.7 | -29.8 | 0 | 0 | 111.4 | L883 F889 I890 E891 F975 Q978 L979 | L883-Q887 VanDerWaalsContact O-CB 3.29Å; L883-Q887 WeakPolarHBondContact O-CB 3.36Å; L883-Q887 PolarHBondContact O-N 3.13Å; Q887-F889 PolarHBondContact O-N 2.85Å; Q887-I890 PolarHBondContact O-N 3.34Å; Q887-I890 VanDerWaalsContact O-N 3.11Å; Q887-E891 HydrophobicContact CG-CG 4.36Å; Q887-E891 WeakPolarHBondContact CG-OE1 3.44Å; Q887-E891 PolarHBondContact NE2-OE1 2.71Å; Q887-E891 WeakPolarHBondContact O-CB 3.49Å; Q887-E891 WeakPolarHBondContact O-CG 3.42Å; Q887-E891 PolarHBondContact O-N 2.9Å; Q887-F975 HydrophobicContact CB-CD2 4.11Å; Q887-F975 HydrophobicContact CB-CE2 3.82Å; Q887-F975 HydrophobicContact CG-CD2 4.38Å; Q887-F975 HydrophobicContact CG-CE2 4.26Å; Q887-Q978 VanDerWaalsContact CD-OE1 3.32Å; Q887-L979 HydrophobicContact CG-CG 4.29Å |
| 888 | Y | 80.1 | Confident | 74.1 | Confident | 63 Ų | 63 | 26.1 Ų | 26.1 | 25% | 0.247 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.5 | -38.4 | 179.4 | -176.8 | -106.1 | 0 | 0 | 0 | 112.2 | L834 Q835 L838 K884 W892 | L834-Y888 HydrophobicContact CB-CD1 3.97Å; L834-Y888 HydrophobicContact CB-CE1 4.22Å; Q835-Y888 VanDerWaalsContact CA-CE1 3.5Å; Q835-Y888 HydrophobicContact CB-CE1 4.39Å; Q835-Y888 HydrophobicContact CG-CD1 4.42Å; Q835-Y888 HydrophobicContact CG-CE1 4.06Å; Q835-Y888 HydrophobicContact CG-CE2 4.47Å; L838-Y888 HydrophobicContact CB-CE1 4.39Å; L838-Y888 HydrophobicContact CD1-CD1 3.75Å; L838-Y888 HydrophobicContact CD1-CE1 3.57Å; L838-Y888 HydrophobicContact CG-CE1 4.28Å; K884-Y888 WeakPolarHBondContact O-CB 3.22Å; K884-Y888 PolarHBondContact O-N 3.47Å; Y888-W892 WeakPolarHBondContact O-CB 3.38Å; Y888-W892 PolarHBondContact O-N 2.94Å |
| 889 | F | 84.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.7 | -42.8 | 175.5 | -177 | -116.2 | 0 | 0 | 0 | 113.4 | L838 I861 I864 F865 F868 P885 I886 Q887 E891 W892 L893 L913 | L838-F889 HydrophobicContact CD1-CD2 4.07Å; L838-F889 HydrophobicContact CD2-CD2 4Å; L838-F889 HydrophobicContact CD2-CE2 4.21Å; I861-F889 HydrophobicContact CG2-CE2 4.4Å; I861-F889 HydrophobicContact CG2-CZ 4.01Å; I864-F889 HydrophobicContact CB-CE2 4.12Å; I864-F889 HydrophobicContact CB-CZ 4.04Å; I864-F889 HydrophobicContact CD1-CE2 4.23Å; I864-F889 HydrophobicContact CG2-CD1 4.04Å; I864-F889 HydrophobicContact CG2-CD2 3.8Å; I864-F889 HydrophobicContact CG2-CE1 3.89Å; I864-F889 HydrophobicContact CG2-CE2 3.66Å; I864-F889 HydrophobicContact CG2-CG 3.98Å; I864-F889 HydrophobicContact CG2-CZ 3.69Å; F865-F889 HydrophobicContact CB-CE1 4.41Å; F868-F889 AromaticContact CD2-CD1 3.82Å; F868-F889 HydrophobicContact CD2-CD1 3.82Å; F868-F889 HydrophobicContact CD2-CE1 4.36Å; F868-F889 HydrophobicContact CD2-CG 4.4Å; F868-F889 HydrophobicContact CE2-CB 3.65Å; F868-F889 AromaticContact CE2-CD1 3.67Å; F868-F889 HydrophobicContact CE2-CD1 3.67Å; F868-F889 HydrophobicContact CE2-CE1 4.49Å; F868-F889 AromaticContact CE2-CG 3.79Å; F868-F889 HydrophobicContact CE2-CG 3.79Å; F868-F889 HydrophobicContact CZ-CB 4.44Å; P885-F889 PolarHBondContact O-N 3.41Å; P885-F889 VanDerWaalsContact O-N 3.13Å; I886-F889 PolarHBondContact O-N 2.93Å; Q887-F889 PolarHBondContact O-N 2.85Å; F889-E891 VanDerWaalsContact C-N 3.34Å; F889-W892 HydrophobicContact CE2-CE3 4.41Å; F889-W892 PolarHBondContact O-N 3.35Å; F889-L893 HydrophobicContact CD1-CD1 3.92Å; F889-L893 HydrophobicContact CE1-CD1 3.59Å; F889-L893 HydrophobicContact CE1-CG 4.38Å; F889-L893 HydrophobicContact CE2-CD1 4.44Å; F889-L893 HydrophobicContact CE2-CD2 4.45Å; F889-L893 HydrophobicContact CE2-CG 4.38Å; F889-L893 HydrophobicContact CG-CD1 4.5Å; F889-L893 HydrophobicContact CZ-CD1 3.88Å; F889-L893 HydrophobicContact CZ-CD2 4.31Å; F889-L893 HydrophobicContact CZ-CG 4.27Å; F889-L893 WeakPolarHBondContact O-CG 3.32Å; F889-L893 PolarHBondContact O-N 3.16Å; F889-L913 HydrophobicContact CD1-CD1 3.88Å; F889-L913 HydrophobicContact CE1-CD1 3.9Å |
| 890 | I | 80.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 174.9 | -72 | 170.8 | 0 | 0 | 0 | 110.2 | I886 Q887 L893 F894 A910 L913 I917 L979 | I886-I890 HydrophobicContact CG2-CD1 3.75Å; I886-I890 HydrophobicContact CG2-CG1 4.23Å; I886-I890 VanDerWaalsContact O-CG1 3.3Å; I886-I890 WeakPolarHBondContact O-CG1 3.12Å; I886-I890 PolarHBondContact O-N 2.98Å; Q887-I890 PolarHBondContact O-N 3.34Å; Q887-I890 VanDerWaalsContact O-N 3.11Å; I890-L893 PolarHBondContact O-N 3.3Å; I890-F894 HydrophobicContact CG2-CD2 3.7Å; I890-F894 HydrophobicContact CG2-CE2 3.44Å; I890-F894 VanDerWaalsContact CG2-CE2 3.44Å; I890-F894 WeakPolarHBondContact O-CD2 3.39Å; I890-F894 PolarHBondContact O-N 2.81Å; I890-F894 VanDerWaalsContact O-N 3.11Å; I890-A910 HydrophobicContact CG2-CB 4.35Å; I890-L913 HydrophobicContact CD1-CB 4.04Å; I890-L913 HydrophobicContact CG1-CB 4.19Å; I890-I917 HydrophobicContact CD1-CD1 4.28Å; I890-L979 HydrophobicContact CG2-CD2 3.81Å |
| 891 | E | 76 | Confident | 71.7 | Confident | 37 Ų | 37 | 37.3 Ų | 37.3 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 176.5 | -77.4 | -178 | -168.2 | 0 | 0 | 111.7 | Q887 F889 L893 F894 N895 F982 | Q887-E891 HydrophobicContact CG-CG 4.36Å; Q887-E891 WeakPolarHBondContact CG-OE1 3.44Å; Q887-E891 PolarHBondContact NE2-OE1 2.71Å; Q887-E891 WeakPolarHBondContact O-CB 3.49Å; Q887-E891 WeakPolarHBondContact O-CG 3.42Å; Q887-E891 PolarHBondContact O-N 2.9Å; F889-E891 VanDerWaalsContact C-N 3.34Å; E891-L893 PolarHBondContact O-N 3.39Å; E891-F894 PolarHBondContact O-N 3.36Å; E891-F894 VanDerWaalsContact O-N 3.15Å; E891-N895 PolarHBondContact O-N 3.37Å; E891-F982 HydrophobicContact CB-CD2 3.97Å; E891-F982 HydrophobicContact CB-CE2 3.38Å; E891-F982 HydrophobicContact CB-CZ 3.67Å; E891-F982 HydrophobicContact CG-CD2 3.48Å; E891-F982 VanDerWaalsContact CG-CD2 3.48Å; E891-F982 HydrophobicContact CG-CE2 3.47Å; E891-F982 VanDerWaalsContact CG-CE2 3.47Å; E891-F982 HydrophobicContact CG-CG 4.14Å; E891-F982 HydrophobicContact CG-CZ 4.06Å; E891-F982 WeakPolarHBondContact O-CZ 3.44Å |
| 892 | W | 80.1 | Confident | 71.4 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.038 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.1 | 180 | 81.6 | 0 | 0 | 0 | 113.1 | L838 F841 T842 L845 I861 Y888 F889 F894 N895 D896 | L838-W892 HydrophobicContact CB-CD2 4.07Å; L838-W892 HydrophobicContact CB-CG 3.96Å; L838-W892 HydrophobicContact CD1-CB 3.66Å; L838-W892 HydrophobicContact CD1-CD2 4Å; L838-W892 HydrophobicContact CD1-CE3 4.42Å; L838-W892 HydrophobicContact CD1-CG 3.67Å; L838-W892 HydrophobicContact CD2-CD2 3.89Å; L838-W892 HydrophobicContact CD2-CE3 3.91Å; L838-W892 HydrophobicContact CD2-CG 4.42Å; L838-W892 HydrophobicContact CD2-CH2 4.39Å; L838-W892 HydrophobicContact CD2-CZ2 4.36Å; L838-W892 HydrophobicContact CD2-CZ3 4.17Å; L838-W892 HydrophobicContact CG-CD2 4.2Å; L838-W892 HydrophobicContact CG-CG 4.22Å; L838-W892 PolarHBondContact O-NE1 3.3Å; F841-W892 HydrophobicContact CB-CH2 4.24Å; F841-W892 HydrophobicContact CB-CZ2 3.96Å; T842-W892 PolarHBondContact OG1-NE1 3.44Å; L845-W892 HydrophobicContact CD1-CH2 4.34Å; I861-W892 HydrophobicContact CD1-CH2 3.82Å; I861-W892 HydrophobicContact CD1-CZ3 4.05Å; I861-W892 HydrophobicContact CG1-CH2 4.25Å; I861-W892 HydrophobicContact CG1-CZ3 4.24Å; Y888-W892 WeakPolarHBondContact O-CB 3.38Å; Y888-W892 PolarHBondContact O-N 2.94Å; F889-W892 HydrophobicContact CE2-CE3 4.41Å; F889-W892 PolarHBondContact O-N 3.35Å; W892-F894 PolarHBondContact O-N 3.48Å; W892-N895 PolarHBondContact O-N 2.86Å; W892-D896 PolarHBondContact NE1-OD2 3.48Å; W892-D896 PolarHBondContact O-N 2.97Å; W892-D896 VanDerWaalsContact O-N 3.13Å |
| 893 | L | 77.9 | Confident | 70.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -32.4 | 175.7 | -71 | 171.8 | 0 | 0 | 0 | 112 | I861 F889 I890 E891 F906 L909 A910 | I861-L893 HydrophobicContact CG2-CD2 4.35Å; F889-L893 HydrophobicContact CD1-CD1 3.92Å; F889-L893 HydrophobicContact CE1-CD1 3.59Å; F889-L893 HydrophobicContact CE1-CG 4.38Å; F889-L893 HydrophobicContact CE2-CD1 4.44Å; F889-L893 HydrophobicContact CE2-CD2 4.45Å; F889-L893 HydrophobicContact CE2-CG 4.38Å; F889-L893 HydrophobicContact CG-CD1 4.5Å; F889-L893 HydrophobicContact CZ-CD1 3.88Å; F889-L893 HydrophobicContact CZ-CD2 4.31Å; F889-L893 HydrophobicContact CZ-CG 4.27Å; F889-L893 WeakPolarHBondContact O-CG 3.32Å; F889-L893 PolarHBondContact O-N 3.16Å; I890-L893 PolarHBondContact O-N 3.3Å; E891-L893 PolarHBondContact O-N 3.39Å; L893-F906 HydrophobicContact CD2-CB 3.78Å; L893-F906 HydrophobicContact CD2-CD1 3.99Å; L893-F906 HydrophobicContact CD2-CG 3.96Å; L893-L909 HydrophobicContact CD1-CB 4.25Å; L893-A910 HydrophobicContact CB-CB 4.04Å; L893-A910 HydrophobicContact CD1-CB 4.03Å |
| 894 | F | 71.6 | Confident | 70.2 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.4 | -43.4 | 175.5 | -76.2 | -56 | 0 | 0 | 0 | 113.5 | I890 E891 W892 I907 A910 F982 Q992 I996 | I890-F894 HydrophobicContact CG2-CD2 3.7Å; I890-F894 HydrophobicContact CG2-CE2 3.44Å; I890-F894 VanDerWaalsContact CG2-CE2 3.44Å; I890-F894 WeakPolarHBondContact O-CD2 3.39Å; I890-F894 PolarHBondContact O-N 2.81Å; I890-F894 VanDerWaalsContact O-N 3.11Å; E891-F894 PolarHBondContact O-N 3.36Å; E891-F894 VanDerWaalsContact O-N 3.15Å; W892-F894 PolarHBondContact O-N 3.48Å; F894-I907 HydrophobicContact CE1-CG2 4.45Å; F894-A910 HydrophobicContact CD2-CB 4.43Å; F894-A910 HydrophobicContact CE1-CB 4.23Å; F894-A910 HydrophobicContact CE2-CB 3.98Å; F894-A910 HydrophobicContact CZ-CB 3.86Å; F894-F982 HydrophobicContact CB-CE1 4.02Å; F894-Q992 HydrophobicContact CD1-CB 4.35Å; F894-Q992 HydrophobicContact CD1-CG 4.35Å; F894-Q992 PolarHBondContact O-NE2 3.32Å; F894-I996 HydrophobicContact CE2-CD1 4.08Å; F894-I996 HydrophobicContact CE2-CG1 4.27Å; F894-I996 HydrophobicContact CZ-CD1 4.41Å; F894-I996 HydrophobicContact CZ-CG1 4.21Å |
| 895 | N | 65.6 | Low | 70 | Confident | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -86.1 | -47.9 | -171.2 | -96.8 | -0.3 | 0 | 0 | 0 | 115.4 | E891 W892 F982 K983 | E891-N895 PolarHBondContact O-N 3.37Å; W892-N895 PolarHBondContact O-N 2.86Å; N895-F982 HydrophobicContact CB-CE1 4.12Å; N895-F982 HydrophobicContact CB-CZ 3.69Å; N895-F982 WeakPolarHBondContact ND2-CE1 3.35Å; N895-F982 WeakPolarHBondContact ND2-CE2 3.32Å; N895-F982 WeakPolarHBondContact ND2-CZ 3.32Å; N895-F982 WeakPolarHBondContact OD1-CE1 2.9Å; N895-F982 WeakPolarHBondContact OD1-CZ 3.43Å; N895-K983 PolarHBondContact ND2-O 3.15Å |
| 896 | D | 57.6 | Low | 70 | Confident | 69 Ų | 69 | 42 Ų | 42 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.9 | -155.6 | -82.5 | -3.7 | 0 | 0 | 0 | 115 | T842 W892 | T842-D896 HydrophobicContact CG2-CB 4.21Å; T842-D896 PolarHBondContact OG1-OD2 3.44Å; W892-D896 PolarHBondContact NE1-OD2 3.48Å; W892-D896 PolarHBondContact O-N 2.97Å; W892-D896 VanDerWaalsContact O-N 3.13Å |
| 897 | Q | 56.8 | Low | 69.5 | Low | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 14.2 | -169.2 | -59.3 | -58.8 | -34.7 | 0 | 0 | 114.3 | N899 M900 H903 F906 | Q897-N899 PolarHBondContact O-N 2.88Å; Q897-M900 WeakPolarHBondContact O-CB 3.34Å; Q897-M900 PolarHBondContact O-N 3.04Å; Q897-M900 VanDerWaalsContact O-N 3.11Å; Q897-H903 PolarHBondContact O-ND1 3.36Å; Q897-F906 HydrophobicContact CB-CD2 3.76Å; Q897-F906 HydrophobicContact CB-CE2 4.29Å; Q897-F906 HydrophobicContact CG-CD2 3.62Å; Q897-F906 HydrophobicContact CG-CE2 3.98Å |
| 898 | S | 48.7 | Very low | 69.3 | Low | 44 Ų | 44 | 48.6 Ų | 48.6 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.7 | -166.4 | 65.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 899 | N | 53.4 | Low | 69.5 | Low | 136 Ų | 136 | 46.6 Ų | 46.6 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 4.5 | 177.6 | -72.2 | -19 | 0 | 0 | 0 | 114 | Q897 | Q897-N899 PolarHBondContact O-N 2.88Š|
| 900 | M | 58.5 | Low | 69.2 | Low | 44 Ų | 44 | 46.6 Ų | 46.6 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | trans | -101.8 | 142.6 | -169.1 | -61.9 | -54.1 | 174.8 | 0 | 0 | 114.5 | L845 N846 Q897 E902 H903 | L845-M900 HydrophobicContact CB-CE 3.56Å; L845-M900 WeakPolarHBondContact O-CE 3.47Å; N846-M900 WeakPolarHBondContact OD1-CE 3.08Å; Q897-M900 WeakPolarHBondContact O-CB 3.34Å; Q897-M900 PolarHBondContact O-N 3.04Å; Q897-M900 VanDerWaalsContact O-N 3.11Å; M900-E902 PolarHBondContact O-N 2.84Å; M900-E902 VanDerWaalsContact O-N 3.15Å; M900-H903 WeakPolarHBondContact O-CB 3.34Å; M900-H903 PolarHBondContact O-N 3.22Å; M900-H903 VanDerWaalsContact O-N 3.16Å | ||
| 901 | N | 59.4 | Low | 69.1 | Low | 172 Ų | 172 | 47.9 Ų | 47.9 | 92% | 0.92 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.3 | 171.1 | -72 | -22.2 | 0 | 0 | 0 | 112.9 | ||
| 902 | E | 65.3 | Low | 69.5 | Low | 75 Ų | 75 | 48.3 Ų | 48.3 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.5 | -179.4 | -61.7 | -165.9 | 164.4 | 0 | 0 | 114.1 | I858 M900 S904 S905 F906 | I858-E902 VanDerWaalsContact CD1-OE1 3.29Å; I858-E902 WeakPolarHBondContact CD1-OE1 3.49Å; I858-E902 VanDerWaalsContact CD1-OE2 3.23Å; I858-E902 WeakPolarHBondContact CD1-OE2 3.47Å; I858-E902 WeakPolarHBondContact CG1-OE2 3.22Å; M900-E902 PolarHBondContact O-N 2.84Å; M900-E902 VanDerWaalsContact O-N 3.15Å; E902-S904 PolarHBondContact O-N 3.41Å; E902-S905 PolarHBondContact O-N 2.89Å; E902-S905 PolarHBondContact O-OG 3.37Å; E902-F906 HydrophobicContact CB-CE2 4.08Å; E902-F906 HydrophobicContact CB-CZ 4.18Å; E902-F906 PolarHBondContact O-N 3.47Å |
| 903 | H | 66.5 | Low | 69.6 | Low | 44 Ų | 44 | 47.9 Ų | 47.9 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.7 | -33.2 | -175.1 | -171.7 | 58.3 | 0 | 0 | 0 | 113.9 | Q897 M900 I907 | Q897-H903 PolarHBondContact O-ND1 3.36Å; M900-H903 WeakPolarHBondContact O-CB 3.34Å; M900-H903 PolarHBondContact O-N 3.22Å; M900-H903 VanDerWaalsContact O-N 3.16Å; H903-I907 WeakPolarHBondContact O-CG1 3.48Å; H903-I907 PolarHBondContact O-N 3.24Å; H903-I907 VanDerWaalsContact O-N 3.15Å |
| 904 | S | 67.9 | Low | 69.7 | Low | 80 Ų | 80 | 48 Ų | 48 | 56% | 0.559 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68.3 | -34.6 | 176.7 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | E902 N908 | E902-S904 PolarHBondContact O-N 3.41Å; S904-N908 VanDerWaalsContact O-CG 3.29Å; S904-N908 PolarHBondContact O-N 2.85Å; S904-N908 PolarHBondContact O-ND2 3.23Å |
| 905 | S | 75.6 | Confident | 70.1 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 177.6 | 70.2 | 0 | 0 | 0 | 0 | 110.4 | E902 N908 L909 | E902-S905 PolarHBondContact O-N 2.89Å; E902-S905 PolarHBondContact O-OG 3.37Å; S905-N908 WeakPolarHBondContact O-CB 3.4Å; S905-N908 PolarHBondContact O-N 3.36Å; S905-L909 WeakPolarHBondContact O-CG 3.14Å; S905-L909 PolarHBondContact O-N 3.04Å |
| 906 | F | 77.9 | Confident | 70.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.4 | -63.2 | -30.6 | 0 | 0 | 0 | 113.3 | I861 L893 Q897 E902 N908 L909 A910 | I861-F906 HydrophobicContact CD1-CE1 3.85Å; I861-F906 HydrophobicContact CD1-CZ 3.83Å; I861-F906 HydrophobicContact CG2-CD1 4.33Å; I861-F906 HydrophobicContact CG2-CE1 4.06Å; L893-F906 HydrophobicContact CD2-CB 3.78Å; L893-F906 HydrophobicContact CD2-CD1 3.99Å; L893-F906 HydrophobicContact CD2-CG 3.96Å; Q897-F906 HydrophobicContact CB-CD2 3.76Å; Q897-F906 HydrophobicContact CB-CE2 4.29Å; Q897-F906 HydrophobicContact CG-CD2 3.62Å; Q897-F906 HydrophobicContact CG-CE2 3.98Å; E902-F906 HydrophobicContact CB-CE2 4.08Å; E902-F906 HydrophobicContact CB-CZ 4.18Å; E902-F906 PolarHBondContact O-N 3.47Å; F906-N908 VanDerWaalsContact C-N 3.29Å; F906-N908 PolarHBondContact O-N 3.21Å; F906-L909 HydrophobicContact CD1-CD1 4.32Å; F906-L909 PolarHBondContact O-N 3.48Å; F906-A910 PolarHBondContact O-N 2.97Å |
| 907 | I | 73.3 | Confident | 71.9 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.2 | -70.2 | 168.6 | 0 | 0 | 0 | 111.3 | F894 H903 A910 S911 | F894-I907 HydrophobicContact CE1-CG2 4.45Å; H903-I907 WeakPolarHBondContact O-CG1 3.48Å; H903-I907 PolarHBondContact O-N 3.24Å; H903-I907 VanDerWaalsContact O-N 3.15Å; I907-A910 PolarHBondContact O-N 2.79Å; I907-S911 WeakPolarHBondContact O-CB 3.45Å; I907-S911 PolarHBondContact O-N 3.02Å; I907-S911 PolarHBondContact O-OG 3.02Å |
| 908 | N | 79.8 | Confident | 72.8 | Confident | 111 Ų | 111 | 46.3 Ų | 46.3 | 59% | 0.594 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.5 | -40 | 178.3 | -70.9 | -23.1 | 0 | 0 | 0 | 112.1 | S904 S905 F906 S911 S912 | S904-N908 VanDerWaalsContact O-CG 3.29Å; S904-N908 PolarHBondContact O-N 2.85Å; S904-N908 PolarHBondContact O-ND2 3.23Å; S905-N908 WeakPolarHBondContact O-CB 3.4Å; S905-N908 PolarHBondContact O-N 3.36Å; F906-N908 VanDerWaalsContact C-N 3.29Å; F906-N908 PolarHBondContact O-N 3.21Å; N908-S911 PolarHBondContact O-N 3.1Å; N908-S912 WeakPolarHBondContact O-CB 3.46Å; N908-S912 PolarHBondContact O-N 3.02Å |
| 909 | L | 83 | Confident | 74.1 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 173.8 | -65.4 | 177.8 | 0 | 0 | 0 | 111.2 | I861 F865 L893 S905 F906 S912 L913 | I861-L909 HydrophobicContact CG2-CD1 4.29Å; F865-L909 HydrophobicContact CD1-CD2 3.93Å; F865-L909 HydrophobicContact CD2-CB 3.9Å; F865-L909 HydrophobicContact CD2-CD2 3.69Å; F865-L909 HydrophobicContact CD2-CG 4.28Å; F865-L909 HydrophobicContact CE1-CD2 3.97Å; F865-L909 HydrophobicContact CE2-CB 4.11Å; F865-L909 HydrophobicContact CE2-CD2 3.74Å; F865-L909 HydrophobicContact CG-CD2 3.8Å; F865-L909 HydrophobicContact CZ-CD2 3.88Å; L893-L909 HydrophobicContact CD1-CB 4.25Å; S905-L909 WeakPolarHBondContact O-CG 3.14Å; S905-L909 PolarHBondContact O-N 3.04Å; F906-L909 HydrophobicContact CD1-CD1 4.32Å; F906-L909 PolarHBondContact O-N 3.48Å; L909-S912 PolarHBondContact O-N 2.9Å; L909-L913 PolarHBondContact O-N 2.84Å |
| 910 | A | 78.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I890 L893 F894 F906 I907 L913 L914 | I890-A910 HydrophobicContact CG2-CB 4.35Å; L893-A910 HydrophobicContact CB-CB 4.04Å; L893-A910 HydrophobicContact CD1-CB 4.03Å; F894-A910 HydrophobicContact CD2-CB 4.43Å; F894-A910 HydrophobicContact CE1-CB 4.23Å; F894-A910 HydrophobicContact CE2-CB 3.98Å; F894-A910 HydrophobicContact CZ-CB 3.86Å; F906-A910 PolarHBondContact O-N 2.97Å; I907-A910 PolarHBondContact O-N 2.79Å; A910-L913 PolarHBondContact O-N 2.6Å; A910-L914 WeakPolarHBondContact O-CB 3.24Å; A910-L914 PolarHBondContact O-N 3.45Å |
| 911 | S | 77.9 | Confident | 75.8 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 179.2 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | I907 N908 L914 S915 | I907-S911 WeakPolarHBondContact O-CB 3.45Å; I907-S911 PolarHBondContact O-N 3.02Å; I907-S911 PolarHBondContact O-OG 3.02Å; N908-S911 PolarHBondContact O-N 3.1Å; S911-L914 PolarHBondContact O-N 3.23Å; S911-S915 WeakPolarHBondContact O-CB 3.28Å; S911-S915 PolarHBondContact O-N 2.95Å |
| 912 | S | 83.8 | Confident | 76.3 | Confident | 46 Ų | 46 | 32.5 Ų | 32.5 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | N908 L909 S915 N916 | N908-S912 WeakPolarHBondContact O-CB 3.46Å; N908-S912 PolarHBondContact O-N 3.02Å; L909-S912 PolarHBondContact O-N 2.9Å; S912-S915 PolarHBondContact O-N 3.3Å; S912-N916 PolarHBondContact O-N 2.63Å; S912-N916 VanDerWaalsContact O-N 3.09Å |
| 913 | L | 82.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 174.7 | -87.2 | 159.5 | 0 | 0 | 0 | 111.7 | F865 F868 L872 I886 F889 I890 L909 A910 N916 I917 | F865-L913 HydrophobicContact CD2-CD1 3.56Å; F865-L913 HydrophobicContact CD2-CG 3.83Å; F865-L913 HydrophobicContact CE2-CD1 4.02Å; F865-L913 HydrophobicContact CE2-CG 3.8Å; F868-L913 HydrophobicContact CB-CD2 3.6Å; F868-L913 HydrophobicContact CD2-CD1 4.47Å; F868-L913 HydrophobicContact CD2-CD2 4.45Å; L872-L913 HydrophobicContact CD1-CD2 3.98Å; I886-L913 HydrophobicContact CG2-CD2 4.15Å; F889-L913 HydrophobicContact CD1-CD1 3.88Å; F889-L913 HydrophobicContact CE1-CD1 3.9Å; I890-L913 HydrophobicContact CD1-CB 4.04Å; I890-L913 HydrophobicContact CG1-CB 4.19Å; L909-L913 PolarHBondContact O-N 2.84Å; A910-L913 PolarHBondContact O-N 2.6Å; L913-N916 PolarHBondContact O-N 3.48Å; L913-I917 WeakPolarHBondContact O-CG1 3.35Å; L913-I917 PolarHBondContact O-N 2.71Å; L913-I917 VanDerWaalsContact O-N 3.14Å |
| 914 | L | 80.5 | Confident | 76.5 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.6 | -176.1 | 61.9 | 0 | 0 | 0 | 111.6 | A910 S911 N916 I917 L918 F975 L979 I996 L999 | A910-L914 WeakPolarHBondContact O-CB 3.24Å; A910-L914 PolarHBondContact O-N 3.45Å; S911-L914 PolarHBondContact O-N 3.23Å; L914-N916 VanDerWaalsContact C-N 3.34Å; L914-N916 PolarHBondContact O-N 2.9Å; L914-I917 PolarHBondContact O-N 3.19Å; L914-L918 HydrophobicContact CG-CD1 4.22Å; L914-L918 WeakPolarHBondContact O-CG 3.46Å; L914-L918 PolarHBondContact O-N 3.32Å; L914-F975 HydrophobicContact CD1-CE1 4.31Å; L914-F975 HydrophobicContact CD1-CZ 4.43Å; L914-L979 HydrophobicContact CD1-CD1 3.71Å; L914-I996 HydrophobicContact CD2-CG1 4.39Å; L914-I996 HydrophobicContact CD2-CG2 4.44Å; L914-L999 HydrophobicContact CD2-CD2 4.38Å; L914-L999 HydrophobicContact CG-CD2 4.28Å |
| 915 | S | 80.1 | Confident | 76.2 | Confident | 36 Ų | 36 | 30.4 Ų | 30.4 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 176.3 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | S911 S912 I917 L918 D919 | S911-S915 WeakPolarHBondContact O-CB 3.28Å; S911-S915 PolarHBondContact O-N 2.95Å; S912-S915 PolarHBondContact O-N 3.3Å; S915-I917 VanDerWaalsContact C-N 3.27Å; S915-I917 PolarHBondContact O-N 3.09Å; S915-L918 PolarHBondContact O-N 3.01Å; S915-D919 WeakPolarHBondContact O-CB 3.31Å; S915-D919 PolarHBondContact O-N 3.09Å |
| 916 | N | 81.2 | Confident | 75.5 | Confident | 45 Ų | 45 | 31.6 Ų | 31.6 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -35.9 | 179.6 | -75.5 | -6.2 | 0 | 0 | 0 | 112.4 | H869 L872 S912 L913 L914 K920 | H869-N916 PolarHBondContact CD2-ND2 2.9Å; H869-N916 PolarHBondContact NE2-ND2 3.29Å; L872-N916 HydrophobicContact CD1-CB 4.11Å; S912-N916 PolarHBondContact O-N 2.63Å; S912-N916 VanDerWaalsContact O-N 3.09Å; L913-N916 PolarHBondContact O-N 3.48Å; L914-N916 VanDerWaalsContact C-N 3.34Å; L914-N916 PolarHBondContact O-N 2.9Å; N916-K920 WeakPolarHBondContact O-CB 3.36Å; N916-K920 PolarHBondContact O-N 2.92Å; N916-K920 VanDerWaalsContact O-N 3.13Å |
| 917 | I | 79.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.9 | -46.4 | 176.4 | -66.9 | 166.8 | 0 | 0 | 0 | 110.4 | L872 L883 I886 I890 L913 L914 S915 D919 K920 I921 F975 | L872-I917 HydrophobicContact CD1-CD1 4.49Å; L872-I917 HydrophobicContact CD1-CG1 3.83Å; L872-I917 HydrophobicContact CD2-CG1 3.94Å; L883-I917 HydrophobicContact CD2-CD1 4.17Å; L883-I917 HydrophobicContact CD2-CG1 4.42Å; L883-I917 HydrophobicContact CD2-CG2 3.97Å; I886-I917 HydrophobicContact CB-CD1 4.47Å; I886-I917 HydrophobicContact CG2-CD1 3.68Å; I890-I917 HydrophobicContact CD1-CD1 4.28Å; L913-I917 WeakPolarHBondContact O-CG1 3.35Å; L913-I917 PolarHBondContact O-N 2.71Å; L913-I917 VanDerWaalsContact O-N 3.14Å; L914-I917 PolarHBondContact O-N 3.19Å; S915-I917 VanDerWaalsContact C-N 3.27Å; S915-I917 PolarHBondContact O-N 3.09Å; I917-D919 VanDerWaalsContact C-N 3.34Å; I917-D919 PolarHBondContact O-N 2.93Å; I917-K920 PolarHBondContact O-N 3.15Å; I917-K920 VanDerWaalsContact O-N 3.15Å; I917-I921 HydrophobicContact CG2-CD1 3.82Å; I917-I921 HydrophobicContact CG2-CG1 4.4Å; I917-I921 VanDerWaalsContact O-CG1 3.31Å; I917-I921 WeakPolarHBondContact O-CG1 3.31Å; I917-I921 PolarHBondContact O-N 3.19Å; I917-F975 HydrophobicContact CB-CE1 4.39Å; I917-F975 HydrophobicContact CD1-CE1 4.22Å; I917-F975 HydrophobicContact CD1-CE2 4.25Å; I917-F975 HydrophobicContact CD1-CZ 3.53Å; I917-F975 HydrophobicContact CG2-CD1 4.22Å; I917-F975 HydrophobicContact CG2-CE1 3.55Å; I917-F975 HydrophobicContact CG2-CZ 3.99Å |
| 918 | L | 75.2 | Confident | 74 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 178.8 | -68.2 | 173 | 0 | 0 | 0 | 111.9 | L914 S915 K920 I921 N922 I976 L999 L1000 | L914-L918 HydrophobicContact CG-CD1 4.22Å; L914-L918 WeakPolarHBondContact O-CG 3.46Å; L914-L918 PolarHBondContact O-N 3.32Å; S915-L918 PolarHBondContact O-N 3.01Å; L918-K920 VanDerWaalsContact C-N 3.31Å; L918-K920 PolarHBondContact O-N 3.24Å; L918-I921 PolarHBondContact O-N 3.42Å; L918-N922 PolarHBondContact O-N 3.36Å; L918-I976 HydrophobicContact CD2-CD1 4.26Å; L918-L999 HydrophobicContact CD1-CB 4.4Å; L918-L999 HydrophobicContact CD1-CD2 3.91Å; L918-L1000 HydrophobicContact CD1-CD2 4.29Å; L918-L1000 HydrophobicContact CD2-CD2 3.96Å |
| 919 | D | 76.1 | Confident | 72.6 | Confident | 63 Ų | 63 | 33 Ų | 33 | 34% | 0.337 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 173 | -78.9 | -31.3 | 0 | 0 | 0 | 112.2 | S915 I917 N922 I923 H1005 | S915-D919 WeakPolarHBondContact O-CB 3.31Å; S915-D919 PolarHBondContact O-N 3.09Å; I917-D919 VanDerWaalsContact C-N 3.34Å; I917-D919 PolarHBondContact O-N 2.93Å; D919-N922 WeakPolarHBondContact O-CB 3.27Å; D919-N922 PolarHBondContact O-N 3.47Å; D919-I923 VanDerWaalsContact O-CG1 3.25Å; D919-I923 WeakPolarHBondContact O-CG1 3.42Å; D919-I923 PolarHBondContact O-N 3.44Å; D919-H1005 IonicContact OD1-CE1 2.92Å; D919-H1005 PolarHBondContact OD1-CE1 3.12Å; D919-H1005 IonicContact OD1-ND1 2.65Å |
| 920 | K | 75.8 | Confident | 71.2 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 12% | 0.122 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.4 | -38.4 | -179.8 | -161.8 | 168.9 | 179.8 | 179.7 | 0 | 112.6 | L872 Y875 L878 N916 I917 L918 N922 I923 L924 | L872-K920 HydrophobicContact CD2-CD 4.37Å; L872-K920 WeakPolarHBondContact O-CE 3.46Å; L872-K920 PolarHBondContact O-NZ 3.1Å; Y875-K920 VanDerWaalsContact O-CE 3.22Å; Y875-K920 WeakPolarHBondContact O-CE 3.42Å; Y875-K920 PolarHBondContact O-NZ 3Å; L878-K920 HydrophobicContact CD1-CB 4.13Å; L878-K920 HydrophobicContact CD1-CD 4.23Å; L878-K920 HydrophobicContact CD1-CG 3.95Å; L878-K920 HydrophobicContact CG-CD 4.41Å; N916-K920 WeakPolarHBondContact O-CB 3.36Å; N916-K920 PolarHBondContact O-N 2.92Å; N916-K920 VanDerWaalsContact O-N 3.13Å; I917-K920 PolarHBondContact O-N 3.15Å; I917-K920 VanDerWaalsContact O-N 3.15Å; L918-K920 VanDerWaalsContact C-N 3.31Å; L918-K920 PolarHBondContact O-N 3.24Å; K920-N922 VanDerWaalsContact C-N 3.33Å; K920-I923 PolarHBondContact O-N 3Å; K920-L924 PolarHBondContact O-N 3.13Å |
| 921 | I | 71.5 | Confident | 69.9 | Low | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 170.7 | -67.1 | 166.4 | 0 | 0 | 0 | 109.4 | L878 I917 L918 I923 L924 L925 F1011 | L878-I921 HydrophobicContact CD1-CG1 3.85Å; I917-I921 HydrophobicContact CG2-CD1 3.82Å; I917-I921 HydrophobicContact CG2-CG1 4.4Å; I917-I921 VanDerWaalsContact O-CG1 3.31Å; I917-I921 WeakPolarHBondContact O-CG1 3.31Å; I917-I921 PolarHBondContact O-N 3.19Å; L918-I921 PolarHBondContact O-N 3.42Å; I921-I923 PolarHBondContact O-N 2.96Å; I921-L924 PolarHBondContact O-N 2.89Å; I921-L925 HydrophobicContact CG2-CD1 3.87Å; I921-L925 HydrophobicContact CG2-CG 4.49Å; I921-L925 VanDerWaalsContact O-CG 3.24Å; I921-L925 WeakPolarHBondContact O-CG 3.29Å; I921-L925 PolarHBondContact O-N 2.83Å; I921-F1011 HydrophobicContact CG2-CZ 4.22Å |
| 922 | N | 69.6 | Low | 68.4 | Low | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 175 | -80.5 | -22.1 | 0 | 0 | 0 | 112.4 | L918 D919 K920 L924 L925 I926 A1004 H1005 M1006 S1007 | L918-N922 PolarHBondContact O-N 3.36Å; D919-N922 WeakPolarHBondContact O-CB 3.27Å; D919-N922 PolarHBondContact O-N 3.47Å; K920-N922 VanDerWaalsContact C-N 3.33Å; N922-L924 VanDerWaalsContact C-N 3.34Å; N922-L924 PolarHBondContact O-N 3Å; N922-L925 PolarHBondContact O-N 2.96Å; N922-I926 WeakPolarHBondContact O-CB 3.24Å; N922-I926 WeakPolarHBondContact O-CG1 3.22Å; N922-I926 PolarHBondContact O-N 3.24Å; N922-A1004 PolarHBondContact ND2-O 2.97Å; N922-H1005 WeakPolarHBondContact ND2-CA 3.4Å; N922-H1005 PolarHBondContact ND2-ND1 2.86Å; N922-M1006 PolarHBondContact OD1-N 3.14Å; N922-M1006 VanDerWaalsContact OD1-N 3.08Å; N922-S1007 PolarHBondContact OD1-N 2.89Å |
| 923 | I | 70.6 | Confident | 66.6 | Low | 95 Ų | 95 | 44.3 Ų | 44.3 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -42.2 | -179.1 | -71.4 | 164.8 | 0 | 0 | 0 | 111 | D919 K920 I921 I926 N927 | D919-I923 VanDerWaalsContact O-CG1 3.25Å; D919-I923 WeakPolarHBondContact O-CG1 3.42Å; D919-I923 PolarHBondContact O-N 3.44Å; K920-I923 PolarHBondContact O-N 3Å; I921-I923 PolarHBondContact O-N 2.96Å; I923-I926 PolarHBondContact O-N 2.96Å; I923-N927 VanDerWaalsContact CG2-ND2 3.32Å; I923-N927 WeakPolarHBondContact CG2-ND2 3.48Å; I923-N927 VanDerWaalsContact O-CB 3.28Å; I923-N927 WeakPolarHBondContact O-CB 3.09Å; I923-N927 VanDerWaalsContact O-CG 3.23Å; I923-N927 PolarHBondContact O-N 2.96Å; I923-N927 PolarHBondContact O-ND2 3.29Å |
| 924 | L | 66.4 | Low | 65 | Low | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 175.2 | -83.7 | 162.7 | 0 | 0 | 0 | 111.3 | L878 K920 I921 N922 Q928 | L878-L924 HydrophobicContact CB-CD1 4.18Å; L878-L924 HydrophobicContact CD1-CD1 3.58Å; L878-L924 HydrophobicContact CG-CD1 4.25Å; K920-L924 PolarHBondContact O-N 3.13Å; I921-L924 PolarHBondContact O-N 2.89Å; N922-L924 VanDerWaalsContact C-N 3.34Å; N922-L924 PolarHBondContact O-N 3Å; L924-Q928 WeakPolarHBondContact O-CB 3.38Å; L924-Q928 WeakPolarHBondContact O-CG 3.47Å; L924-Q928 PolarHBondContact O-N 3.39Å; L924-Q928 VanDerWaalsContact O-N 3.16Å |
| 925 | L | 61.4 | Low | 63.2 | Low | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 178.5 | -67.1 | 170.9 | 0 | 0 | 0 | 112.5 | I921 N922 T929 I965 L1010 | I921-L925 HydrophobicContact CG2-CD1 3.87Å; I921-L925 HydrophobicContact CG2-CG 4.49Å; I921-L925 VanDerWaalsContact O-CG 3.24Å; I921-L925 WeakPolarHBondContact O-CG 3.29Å; I921-L925 PolarHBondContact O-N 2.83Å; N922-L925 PolarHBondContact O-N 2.96Å; L925-T929 PolarHBondContact O-N 3.46Å; L925-T929 PolarHBondContact O-OG1 2.97Å; L925-I965 HydrophobicContact CD2-CD1 4.18Å; L925-L1010 HydrophobicContact CD1-CD2 3.89Å; L925-L1010 HydrophobicContact CD2-CD2 3.5Å; L925-L1010 HydrophobicContact CG-CD2 4.29Å |
| 926 | I | 61.3 | Low | 61.4 | Low | 69 Ų | 69 | 59.6 Ų | 59.6 | 35% | 0.354 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 178.1 | -68.9 | 165.9 | 0 | 0 | 0 | 111.6 | N922 I923 Q928 T929 I930 | N922-I926 WeakPolarHBondContact O-CB 3.24Å; N922-I926 WeakPolarHBondContact O-CG1 3.22Å; N922-I926 PolarHBondContact O-N 3.24Å; I923-I926 PolarHBondContact O-N 2.96Å; I926-Q928 VanDerWaalsContact C-N 3.31Å; I926-Q928 PolarHBondContact O-N 3.06Å; I926-T929 VanDerWaalsContact C-OG1 3.29Å; I926-T929 VanDerWaalsContact CA-OG1 3.26Å; I926-T929 WeakPolarHBondContact CA-OG1 3.47Å; I926-T929 PolarHBondContact O-N 3.38Å; I926-T929 PolarHBondContact O-OG1 3.35Å; I926-I930 HydrophobicContact CG2-CD1 4Å; I926-I930 WeakPolarHBondContact O-CD1 3.19Å; I926-I930 VanDerWaalsContact O-CG1 3.3Å; I926-I930 WeakPolarHBondContact O-CG1 3.34Å; I926-I930 PolarHBondContact O-N 2.8Å |
| 927 | N | 62.2 | Low | 59.6 | Low | 88 Ų | 88 | 58.5 Ų | 58.5 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | -179.7 | -75.7 | -22.8 | 0 | 0 | 0 | 111.8 | I923 I930 I931 | I923-N927 VanDerWaalsContact CG2-ND2 3.32Å; I923-N927 WeakPolarHBondContact CG2-ND2 3.48Å; I923-N927 VanDerWaalsContact O-CB 3.28Å; I923-N927 WeakPolarHBondContact O-CB 3.09Å; I923-N927 VanDerWaalsContact O-CG 3.23Å; I923-N927 PolarHBondContact O-N 2.96Å; I923-N927 PolarHBondContact O-ND2 3.29Å; N927-I930 PolarHBondContact O-N 2.76Å; N927-I931 WeakPolarHBondContact O-CG1 3.3Å |
| 928 | Q | 56.3 | Low | 57.8 | Low | 60 Ų | 60 | 60.5 Ų | 60.5 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.4 | -32.8 | 178.5 | -68.8 | -86.4 | -2.6 | 0 | 0 | 111.9 | L924 I926 I930 I931 I965 | L924-Q928 WeakPolarHBondContact O-CB 3.38Å; L924-Q928 WeakPolarHBondContact O-CG 3.47Å; L924-Q928 PolarHBondContact O-N 3.39Å; L924-Q928 VanDerWaalsContact O-N 3.16Å; I926-Q928 VanDerWaalsContact C-N 3.31Å; I926-Q928 PolarHBondContact O-N 3.06Å; Q928-I930 VanDerWaalsContact C-N 3.33Å; Q928-I930 PolarHBondContact O-N 2.92Å; Q928-I931 PolarHBondContact O-N 3.19Å; Q928-I965 HydrophobicContact CB-CG2 4.26Å; Q928-I965 VanDerWaalsContact CD-CG2 3.43Å; Q928-I965 HydrophobicContact CG-CG2 3.71Å |
| 929 | T | 51.8 | Low | 56.2 | Low | 35 Ų | 35 | 68.9 Ų | 68.9 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70 | -24.7 | 173.3 | 35.9 | 0 | 0 | 0 | 0 | 114.1 | L925 I926 M958 | L925-T929 PolarHBondContact O-N 3.46Å; L925-T929 PolarHBondContact O-OG1 2.97Å; I926-T929 VanDerWaalsContact C-OG1 3.29Å; I926-T929 VanDerWaalsContact CA-OG1 3.26Å; I926-T929 WeakPolarHBondContact CA-OG1 3.47Å; I926-T929 PolarHBondContact O-N 3.38Å; I926-T929 PolarHBondContact O-OG1 3.35Å; T929-M958 HydrophobicContact CG2-CE 3.22Å; T929-M958 HydrophobicContact CG2-CG 4.2Å; T929-M958 HydrophobicContact CG2-SD 3.34Å; T929-M958 WeakPolarHBondContact CG2-SD 3.05Å |
| 930 | I | 52.7 | Low | 54.4 | Low | 90 Ų | 90 | 75.2 Ų | 75.2 | 46% | 0.462 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -76.6 | -24 | 177.6 | -67.5 | 166.4 | 0 | 0 | 0 | 112.2 | I926 N927 Q928 V932 | I926-I930 HydrophobicContact CG2-CD1 4Å; I926-I930 WeakPolarHBondContact O-CD1 3.19Å; I926-I930 VanDerWaalsContact O-CG1 3.3Å; I926-I930 WeakPolarHBondContact O-CG1 3.34Å; I926-I930 PolarHBondContact O-N 2.8Å; N927-I930 PolarHBondContact O-N 2.76Å; Q928-I930 VanDerWaalsContact C-N 3.33Å; Q928-I930 PolarHBondContact O-N 2.92Å; I930-V932 PolarHBondContact O-N 3.47Å |
| 931 | I | 52.1 | Low | 52.8 | Low | 130 Ų | 130 | 77.6 Ų | 77.6 | 67% | 0.667 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -74 | -18.4 | -179.6 | -65.8 | 168.4 | 0 | 0 | 0 | 111.7 | N927 Q928 D933 | N927-I931 WeakPolarHBondContact O-CG1 3.3Å; Q928-I931 PolarHBondContact O-N 3.19Å; I931-D933 PolarHBondContact O-N 3.45Å; I931-D933 VanDerWaalsContact O-N 3.16Å |
| 932 | V | 45 | Very low | 51.4 | Low | 37 Ų | 37 | 80.2 Ų | 80.2 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -92.1 | 82.2 | -174.6 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | I930 I961 | I930-V932 PolarHBondContact O-N 3.47Å; V932-I961 HydrophobicContact CB-CD1 4.24Å; V932-I961 HydrophobicContact CG1-CD1 3.43Å; V932-I961 VanDerWaalsContact CG1-CD1 3.43Å; V932-I961 HydrophobicContact CG1-CG1 4.19Å; V932-I961 HydrophobicContact CG1-CG2 4.43Å; V932-I961 HydrophobicContact CG2-CD1 4.16Å; V932-I961 HydrophobicContact CG2-CG2 3.55Å |
| 933 | D | 47 | Very low | 50.4 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | trans | 23.4 | 119.4 | 156.9 | -145.3 | -13 | 0 | 0 | 0 | 119.8 | I931 K935 L936 | I931-D933 PolarHBondContact O-N 3.45Å; I931-D933 VanDerWaalsContact O-N 3.16Å; D933-K935 PolarHBondContact O-N 2.68Å; D933-K935 WeakPolarHBondContact OD1-CG 3.26Å; D933-K935 PolarHBondContact OD1-N 3.19Å; D933-K935 WeakPolarHBondContact OD2-CD 3.05Å; D933-K935 IonicContact OD2-NZ 3.21Å; D933-L936 PolarHBondContact O-N 2.9Å | ||
| 934 | D | 47.9 | Very low | 49.6 | Very low | 114 Ų | 114 | 80.2 Ų | 80.2 | 61% | 0.61 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.9 | -15.8 | 166.6 | -84.7 | -30.9 | 0 | 0 | 0 | 113.7 | G938 R948 | D934-G938 WeakPolarHBondContact O-CA 3.49Å; D934-G938 PolarHBondContact O-N 3.21Å; D934-R948 IonicContact OD1-CZ 3.97Å; D934-R948 IonicContact OD1-NH1 2.79Å; D934-R948 PolarHBondContact OD1-NH1 3.29Å; D934-R948 IonicContact OD1-NH2 3.45Å; D934-R948 PolarHBondContact OD1-NH2 3.42Å |
| 935 | K | 43.7 | Very low | 49 | Very low | 143 Ų | 143 | 84.7 Ų | 84.7 | 62% | 0.622 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.9 | -32.1 | -178.1 | -72.1 | 179.9 | -161.6 | 153.3 | 0 | 115.1 | D933 K939 | D933-K935 PolarHBondContact O-N 2.68Å; D933-K935 WeakPolarHBondContact OD1-CG 3.26Å; D933-K935 PolarHBondContact OD1-N 3.19Å; D933-K935 WeakPolarHBondContact OD2-CD 3.05Å; D933-K935 IonicContact OD2-NZ 3.21Å; K935-K939 WeakPolarHBondContact O-CB 3.41Å |
| 936 | L | 42.9 | Very low | 48.6 | Very low | 104 Ų | 104 | 91 Ų | 91 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -87.2 | -49.6 | -179.6 | -113.6 | 124.7 | 0 | 0 | 0 | 111.1 | D933 | D933-L936 PolarHBondContact O-N 2.9Å |
| 937 | F | 42 | Very low | 48.1 | Very low | 22 Ų | 22 | 92.1 Ų | 92.1 | 10% | 0.096 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -85.1 | -37.5 | -172.7 | -72 | -84 | 0 | 0 | 0 | 113.9 | I941 G942 R948 L957 | F937-I941 HydrophobicContact CD1-CD1 4.49Å; F937-G942 PolarHBondContact O-N 2.89Å; F937-G942 VanDerWaalsContact O-N 3.14Å; F937-R948 HydrophobicContact CB-CG 4.4Å; F937-R948 HydrophobicContact CD1-CG 4.32Å; F937-R948 HydrophobicContact CG-CG 4.45Å; F937-L957 HydrophobicContact CE1-CB 4.47Å; F937-L957 HydrophobicContact CE1-CD1 3.79Å; F937-L957 HydrophobicContact CZ-CB 3.96Å; F937-L957 HydrophobicContact CZ-CD1 4.03Å; F937-L957 HydrophobicContact CZ-CG 4.45Å |
| 938 | G | 42.9 | Very low | 47.6 | Very low | 42 Ų | 42 | 90.3 Ų | 90.3 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.7 | -28.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D934 | D934-G938 WeakPolarHBondContact O-CA 3.49Å; D934-G938 PolarHBondContact O-N 3.21Å |
| 939 | K | 41.3 | Very low | 47.3 | Very low | 176 Ų | 176 | 90.2 Ų | 90.2 | 77% | 0.765 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -97.5 | -29.9 | -173 | -121.9 | -177.3 | -176.3 | -176.6 | 0 | 115.1 | K935 | K935-K939 WeakPolarHBondContact O-CB 3.41Å |
| 940 | Y | 37.7 | Very low | 47.3 | Very low | 196 Ų | 196 | 93.2 Ų | 93.2 | 77% | 0.769 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -106.9 | -24.1 | -174.2 | -71.4 | -85.2 | 0 | 0 | 0 | 114.4 | ||
| 941 | I | 42.7 | Very low | 47.2 | Very low | 77 Ų | 77 | 89.9 Ų | 89.9 | 40% | 0.395 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -18 | -169.8 | -28.4 | 177.6 | 0 | 0 | 0 | 113.7 | F937 Y943 | F937-I941 HydrophobicContact CD1-CD1 4.49Å; I941-Y943 HydrophobicContact CB-CD2 3.86Å; I941-Y943 HydrophobicContact CB-CE2 3.77Å; I941-Y943 HydrophobicContact CG2-CD2 3.79Å; I941-Y943 HydrophobicContact CG2-CE2 3.16Å |
| 942 | G | 41.7 | Very low | 46.9 | Very low | 58 Ų | 58 | 84.1 Ų | 84.1 | 60% | 0.598 | 43% | 0.426 | S | S | * | . | trans | 78.4 | 16.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | F937 | F937-G942 PolarHBondContact O-N 2.89Å; F937-G942 VanDerWaalsContact O-N 3.14Å | ||
| 943 | Y | 49.3 | Very low | 47.2 | Very low | 32 Ų | 32 | 84.6 Ų | 84.6 | 13% | 0.125 | 43% | 0.427 | C | S | . | . | trans | -80.4 | 133.7 | -178.4 | -64.6 | -56.8 | 0 | 0 | 0 | 113.7 | I941 E947 R948 H951 H1125 | I941-Y943 HydrophobicContact CB-CD2 3.86Å; I941-Y943 HydrophobicContact CB-CE2 3.77Å; I941-Y943 HydrophobicContact CG2-CD2 3.79Å; I941-Y943 HydrophobicContact CG2-CE2 3.16Å; Y943-E947 HydrophobicContact CD1-CB 4.05Å; Y943-E947 HydrophobicContact CG-CB 4.43Å; Y943-R948 PolarHBondContact O-NE 2.92Å; Y943-H951 AromaticContact CE1-CD2 3.52Å; Y943-H951 AromaticContact CE1-NE2 3.73Å; Y943-H951 AromaticContact CZ-CD2 3.42Å; Y943-H951 VanDerWaalsContact CZ-CD2 3.42Å; Y943-H951 AromaticContact CZ-CE1 3.68Å; Y943-H951 AromaticContact CZ-CG 3.99Å; Y943-H951 AromaticContact CZ-NE2 3.27Å; Y943-H951 VanDerWaalsContact CZ-NE2 3.27Å; Y943-H951 PolarHBondContact OH-CE1 3.42Å; Y943-H951 PolarHBondContact OH-NE2 3.06Å; Y943-H1125 PolarHBondContact OH-CD2 3.41Å; Y943-H1125 VanDerWaalsContact OH-CD2 3.29Å; Y943-H1125 PolarHBondContact OH-NE2 3.05Å | ||
| 944 | T | 53.7 | Low | 47.4 | Very low | 75 Ų | 75 | 81.4 Ų | 81.4 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | trans | -66 | 161.5 | 167 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | E946 E947 R948 | T944-E946 PolarHBondContact O-N 2.82Å; T944-E947 WeakPolarHBondContact CB-OE2 3.38Å; T944-E947 WeakPolarHBondContact CG2-OE2 3.26Å; T944-E947 PolarHBondContact N-OE2 3.05Å; T944-E947 PolarHBondContact O-N 2.94Å; T944-E947 VanDerWaalsContact O-N 3.1Å; T944-E947 WeakPolarHBondContact OG1-CB 3.47Å; T944-E947 WeakPolarHBondContact OG1-CG 3.45Å; T944-E947 PolarHBondContact OG1-N 3.5Å; T944-E947 PolarHBondContact OG1-OE2 2.78Å; T944-R948 WeakPolarHBondContact O-CG 3.43Å; T944-R948 PolarHBondContact O-N 2.82Å | ||
| 945 | K | 52.8 | Low | 47.5 | Very low | 133 Ų | 133 | 77 Ų | 77 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.9 | -176.9 | -151.8 | 178.5 | -176.2 | -176 | 0 | 112.9 | ||
| 946 | E | 53.1 | Low | 47.7 | Very low | 155 Ų | 155 | 71.2 Ų | 71.2 | 72% | 0.724 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -34.8 | 176.5 | -70.2 | 171.9 | 169 | 0 | 0 | 112.4 | T944 R948 N950 | T944-E946 PolarHBondContact O-N 2.82Å; E946-R948 VanDerWaalsContact C-N 3.33Å; E946-N950 PolarHBondContact O-ND2 3.47Å; E946-N950 VanDerWaalsContact O-ND2 3.14Å |
| 947 | E | 51.3 | Low | 48.1 | Very low | 92 Ų | 92 | 68.4 Ų | 68.4 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 174.9 | -74.5 | 164.3 | 161.1 | 0 | 0 | 111.6 | Y943 T944 I949 N950 H951 | Y943-E947 HydrophobicContact CD1-CB 4.05Å; Y943-E947 HydrophobicContact CG-CB 4.43Å; T944-E947 WeakPolarHBondContact CB-OE2 3.38Å; T944-E947 WeakPolarHBondContact CG2-OE2 3.26Å; T944-E947 PolarHBondContact N-OE2 3.05Å; T944-E947 PolarHBondContact O-N 2.94Å; T944-E947 VanDerWaalsContact O-N 3.1Å; T944-E947 WeakPolarHBondContact OG1-CB 3.47Å; T944-E947 WeakPolarHBondContact OG1-CG 3.45Å; T944-E947 PolarHBondContact OG1-N 3.5Å; T944-E947 PolarHBondContact OG1-OE2 2.78Å; E947-I949 VanDerWaalsContact C-N 3.27Å; E947-I949 PolarHBondContact O-N 3.11Å; E947-N950 PolarHBondContact O-N 3.35Å; E947-H951 VanDerWaalsContact O-CB 3.29Å; E947-H951 WeakPolarHBondContact O-CB 3.04Å; E947-H951 PolarHBondContact O-N 2.92Å; E947-H951 VanDerWaalsContact O-N 3.11Å |
| 948 | R | 52.3 | Low | 48.6 | Very low | 50 Ų | 50 | 69 Ų | 69 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -32 | 178.7 | -71.2 | 178.6 | -149.5 | -179.9 | 6.9 | 113.7 | D934 F937 Y943 T944 E946 S954 | D934-R948 IonicContact OD1-CZ 3.97Å; D934-R948 IonicContact OD1-NH1 2.79Å; D934-R948 PolarHBondContact OD1-NH1 3.29Å; D934-R948 IonicContact OD1-NH2 3.45Å; D934-R948 PolarHBondContact OD1-NH2 3.42Å; F937-R948 HydrophobicContact CB-CG 4.4Å; F937-R948 HydrophobicContact CD1-CG 4.32Å; F937-R948 HydrophobicContact CG-CG 4.45Å; Y943-R948 PolarHBondContact O-NE 2.92Å; T944-R948 WeakPolarHBondContact O-CG 3.43Å; T944-R948 PolarHBondContact O-N 2.82Å; E946-R948 VanDerWaalsContact C-N 3.33Å; R948-S954 WeakPolarHBondContact O-CB 3.28Å; R948-S954 PolarHBondContact O-OG 3.44Å |
| 949 | I | 50.3 | Low | 48.9 | Very low | 58 Ų | 58 | 67 Ų | 67 | 30% | 0.297 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -86.5 | -25.2 | -177.1 | -55.2 | 174.9 | 0 | 0 | 0 | 111.1 | E947 M1006 | E947-I949 VanDerWaalsContact C-N 3.27Å; E947-I949 PolarHBondContact O-N 3.11Å; I949-M1006 HydrophobicContact CG2-CE 3.87Å |
| 950 | N | 50.2 | Low | 49.3 | Very low | 97 Ų | 97 | 64.7 Ų | 64.7 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -101.3 | 0 | -174.8 | -68.5 | -41.9 | 0 | 0 | 0 | 114.3 | E946 E947 M1006 | E946-N950 PolarHBondContact O-ND2 3.47Å; E946-N950 VanDerWaalsContact O-ND2 3.14Å; E947-N950 PolarHBondContact O-N 3.35Å; N950-M1006 WeakPolarHBondContact OD1-CE 3.42Å |
| 951 | H | 51.3 | Low | 49.9 | Very low | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | trans | -83.6 | 138.5 | -171.4 | -164.6 | -94.5 | 0 | 0 | 0 | 113.3 | Y943 E947 L953 S954 P955 H1125 | Y943-H951 AromaticContact CE1-CD2 3.52Å; Y943-H951 AromaticContact CE1-NE2 3.73Å; Y943-H951 AromaticContact CZ-CD2 3.42Å; Y943-H951 VanDerWaalsContact CZ-CD2 3.42Å; Y943-H951 AromaticContact CZ-CE1 3.68Å; Y943-H951 AromaticContact CZ-CG 3.99Å; Y943-H951 AromaticContact CZ-NE2 3.27Å; Y943-H951 VanDerWaalsContact CZ-NE2 3.27Å; Y943-H951 PolarHBondContact OH-CE1 3.42Å; Y943-H951 PolarHBondContact OH-NE2 3.06Å; E947-H951 VanDerWaalsContact O-CB 3.29Å; E947-H951 WeakPolarHBondContact O-CB 3.04Å; E947-H951 PolarHBondContact O-N 2.92Å; E947-H951 VanDerWaalsContact O-N 3.11Å; H951-L953 WeakPolarHBondContact ND1-CB 3.4Å; H951-L953 PolarHBondContact ND1-N 2.9Å; H951-L953 VanDerWaalsContact ND1-N 3.15Å; H951-L953 PolarHBondContact O-N 2.88Å; H951-L953 VanDerWaalsContact O-N 3.14Å; H951-S954 WeakPolarHBondContact O-CA 3.22Å; H951-S954 WeakPolarHBondContact O-CB 3.48Å; H951-S954 PolarHBondContact O-N 3.22Å; H951-P955 WeakPolarHBondContact O-CD 3.44Å; H951-H1125 AromaticContact NE2-CD2 3.61Å | ||
| 952 | P | 46.4 | Very low | 50.3 | Low | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -30.1 | 177.8 | 10.1 | -25.5 | 0 | 0 | 0 | 115.6 | P955 E1060 P1124 | P952-P955 WeakPolarHBondContact O-CD 3.37Å; P952-E1060 WeakPolarHBondContact CA-OE1 3.48Å; P952-E1060 HydrophobicContact CB-CG 3.87Å; P952-E1060 VanDerWaalsContact CB-OE1 3.27Å; P952-E1060 WeakPolarHBondContact CB-OE1 3.49Å; P952-P1124 HydrophobicContact CG-CG 4.07Å |
| 953 | L | 49.9 | Very low | 50.8 | Low | 47 Ų | 47 | 57.4 Ų | 57.4 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -11.2 | 175.4 | -85.9 | 157.3 | 0 | 0 | 0 | 113.4 | H951 P955 I956 L957 L1129 | H951-L953 WeakPolarHBondContact ND1-CB 3.4Å; H951-L953 PolarHBondContact ND1-N 2.9Å; H951-L953 VanDerWaalsContact ND1-N 3.15Å; H951-L953 PolarHBondContact O-N 2.88Å; H951-L953 VanDerWaalsContact O-N 3.14Å; L953-P955 VanDerWaalsContact C-N 3.35Å; L953-I956 HydrophobicContact CD2-CB 4.41Å; L953-I956 HydrophobicContact CD2-CD1 4Å; L953-I956 PolarHBondContact O-N 3.31Å; L953-L957 HydrophobicContact CB-CD1 4.23Å; L953-L957 WeakPolarHBondContact O-CB 3.46Å; L953-L957 PolarHBondContact O-N 2.83Å; L953-L1129 HydrophobicContact CD1-CD2 4.3Å; L953-L1129 HydrophobicContact CD2-CD2 4.12Å; L953-L1129 HydrophobicContact CG-CD2 4.29Å |
| 954 | S | 52 | Low | 51.1 | Low | 10 Ų | 10 | 59.4 Ų | 59.4 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57 | -43 | 178.7 | -173.4 | 0 | 0 | 0 | 0 | 112 | R948 H951 I956 L957 M958 | R948-S954 WeakPolarHBondContact O-CB 3.28Å; R948-S954 PolarHBondContact O-OG 3.44Å; H951-S954 WeakPolarHBondContact O-CA 3.22Å; H951-S954 WeakPolarHBondContact O-CB 3.48Å; H951-S954 PolarHBondContact O-N 3.22Å; S954-I956 PolarHBondContact O-N 2.85Å; S954-L957 PolarHBondContact O-N 3.39Å; S954-M958 WeakPolarHBondContact O-CA 3.17Å; S954-M958 WeakPolarHBondContact O-CB 3.33Å; S954-M958 WeakPolarHBondContact O-CG 3.21Å; S954-M958 PolarHBondContact O-N 3.12Å; S954-M958 WeakPolarHBondContact OG-CE 3.32Å |
| 955 | P | 49.3 | Very low | 51.4 | Low | 20 Ų | 20 | 56.7 Ų | 56.7 | 13% | 0.13 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.4 | -33.4 | 178 | -19.8 | 32.9 | 0 | 0 | 0 | 114.4 | H951 P952 L953 S959 | H951-P955 WeakPolarHBondContact O-CD 3.44Å; P952-P955 WeakPolarHBondContact O-CD 3.37Å; L953-P955 VanDerWaalsContact C-N 3.35Å; P955-S959 WeakPolarHBondContact O-CB 3.29Å; P955-S959 PolarHBondContact O-N 3.45Å; P955-S959 PolarHBondContact O-OG 2.7Å |
| 956 | I | 49.8 | Very low | 52.1 | Low | 22 Ų | 22 | 51 Ų | 51 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.9 | -34.6 | 176.9 | -65.8 | 161.8 | 0 | 0 | 0 | 111 | L953 S954 S959 F960 L1067 | L953-I956 HydrophobicContact CD2-CB 4.41Å; L953-I956 HydrophobicContact CD2-CD1 4Å; L953-I956 PolarHBondContact O-N 3.31Å; S954-I956 PolarHBondContact O-N 2.85Å; I956-S959 VanDerWaalsContact CA-OG 3.29Å; I956-S959 WeakPolarHBondContact CA-OG 3.27Å; I956-S959 PolarHBondContact O-OG 2.99Å; I956-F960 WeakPolarHBondContact O-CD2 3.32Å; I956-F960 PolarHBondContact O-N 3.25Å; I956-L1067 HydrophobicContact CD1-CD1 3.66Å; I956-L1067 HydrophobicContact CG1-CD1 4.47Å |
| 957 | L | 50.9 | Low | 52.8 | Low | 46 Ų | 46 | 48.2 Ų | 48.2 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -81.7 | -36.4 | 175.6 | -75.5 | 157.9 | 0 | 0 | 0 | 111.1 | F937 L953 S954 S959 F960 I961 | F937-L957 HydrophobicContact CE1-CB 4.47Å; F937-L957 HydrophobicContact CE1-CD1 3.79Å; F937-L957 HydrophobicContact CZ-CB 3.96Å; F937-L957 HydrophobicContact CZ-CD1 4.03Å; F937-L957 HydrophobicContact CZ-CG 4.45Å; L953-L957 HydrophobicContact CB-CD1 4.23Å; L953-L957 WeakPolarHBondContact O-CB 3.46Å; L953-L957 PolarHBondContact O-N 2.83Å; S954-L957 PolarHBondContact O-N 3.39Å; L957-S959 VanDerWaalsContact C-N 3.3Å; L957-F960 WeakPolarHBondContact O-CB 3.41Å; L957-F960 PolarHBondContact O-N 3.23Å; L957-I961 WeakPolarHBondContact O-CD1 3.46Å; L957-I961 VanDerWaalsContact O-CG1 3.25Å; L957-I961 WeakPolarHBondContact O-CG1 3.37Å; L957-I961 PolarHBondContact O-N 3.28Å |
| 958 | M | 50.8 | Low | 53.7 | Low | 34 Ų | 34 | 45.7 Ų | 45.7 | 17% | 0.167 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -30.8 | 170.7 | -81.3 | -142.8 | -139.1 | 0 | 0 | 111.8 | T929 S954 I961 G962 L1010 | T929-M958 HydrophobicContact CG2-CE 3.22Å; T929-M958 HydrophobicContact CG2-CG 4.2Å; T929-M958 HydrophobicContact CG2-SD 3.34Å; T929-M958 WeakPolarHBondContact CG2-SD 3.05Å; S954-M958 WeakPolarHBondContact O-CA 3.17Å; S954-M958 WeakPolarHBondContact O-CB 3.33Å; S954-M958 WeakPolarHBondContact O-CG 3.21Å; S954-M958 PolarHBondContact O-N 3.12Å; S954-M958 WeakPolarHBondContact OG-CE 3.32Å; M958-I961 CarbonylContact O-C 3.49Å; M958-I961 PolarHBondContact O-N 3.13Å; M958-G962 VanDerWaalsContact O-CA 3.24Å; M958-G962 WeakPolarHBondContact O-CA 3.31Å; M958-G962 PolarHBondContact O-N 2.85Å; M958-L1010 HydrophobicContact CE-CD1 3.88Å; M958-L1010 HydrophobicContact SD-CD1 3.83Å |
| 959 | S | 49.9 | Very low | 54.6 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.7 | -33.1 | 175.2 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | P955 I956 L957 I961 G962 S1020 | P955-S959 WeakPolarHBondContact O-CB 3.29Å; P955-S959 PolarHBondContact O-N 3.45Å; P955-S959 PolarHBondContact O-OG 2.7Å; I956-S959 VanDerWaalsContact CA-OG 3.29Å; I956-S959 WeakPolarHBondContact CA-OG 3.27Å; I956-S959 PolarHBondContact O-OG 2.99Å; L957-S959 VanDerWaalsContact C-N 3.3Å; S959-I961 PolarHBondContact O-N 2.84Å; S959-G962 PolarHBondContact O-N 3.11Å; S959-S1020 CarbonylContact C-O 3.58Å; S959-S1020 VanDerWaalsContact CB-CB 3.42Å; S959-S1020 WeakPolarHBondContact CB-OG 3.38Å; S959-S1020 CarbonylContact O-C 3.59Å; S959-S1020 WeakPolarHBondContact OG-CB 3.12Å; S959-S1020 PolarHBondContact OG-OG 3.2Å |
| 960 | F | 50.8 | Low | 55.7 | Low | 127 Ų | 127 | 42 Ų | 42 | 56% | 0.557 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.9 | -29.1 | 167.6 | -98.8 | -75.4 | 0 | 0 | 0 | 113.2 | I956 L957 | I956-F960 WeakPolarHBondContact O-CD2 3.32Å; I956-F960 PolarHBondContact O-N 3.25Å; L957-F960 WeakPolarHBondContact O-CB 3.41Å; L957-F960 PolarHBondContact O-N 3.23Å |
| 961 | I | 50.4 | Low | 56.8 | Low | 57 Ų | 57 | 38.1 Ų | 38.1 | 29% | 0.292 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -99.2 | -18.4 | -178.7 | -54.5 | 155.2 | 0 | 0 | 0 | 111.6 | V932 L957 M958 S959 Q963 S964 | V932-I961 HydrophobicContact CB-CD1 4.24Å; V932-I961 HydrophobicContact CG1-CD1 3.43Å; V932-I961 VanDerWaalsContact CG1-CD1 3.43Å; V932-I961 HydrophobicContact CG1-CG1 4.19Å; V932-I961 HydrophobicContact CG1-CG2 4.43Å; V932-I961 HydrophobicContact CG2-CD1 4.16Å; V932-I961 HydrophobicContact CG2-CG2 3.55Å; L957-I961 WeakPolarHBondContact O-CD1 3.46Å; L957-I961 VanDerWaalsContact O-CG1 3.25Å; L957-I961 WeakPolarHBondContact O-CG1 3.37Å; L957-I961 PolarHBondContact O-N 3.28Å; M958-I961 CarbonylContact O-C 3.49Å; M958-I961 PolarHBondContact O-N 3.13Å; S959-I961 PolarHBondContact O-N 2.84Å; I961-Q963 PolarHBondContact O-N 2.88Å; I961-S964 PolarHBondContact O-N 3.35Å; I961-S964 PolarHBondContact O-OG 3.37Å |
| 962 | G | 50 | Low | 57.9 | Low | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -64.4 | -5.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M958 S959 S964 I965 T966 | M958-G962 VanDerWaalsContact O-CA 3.24Å; M958-G962 WeakPolarHBondContact O-CA 3.31Å; M958-G962 PolarHBondContact O-N 2.85Å; S959-G962 PolarHBondContact O-N 3.11Å; G962-S964 PolarHBondContact O-N 2.91Å; G962-S964 VanDerWaalsContact O-N 3.15Å; G962-I965 CarbonylContact O-C 3.5Å; G962-I965 PolarHBondContact O-N 3.47Å; G962-I965 VanDerWaalsContact O-N 3.07Å; G962-T966 WeakPolarHBondContact O-CG2 3.5Å; G962-T966 PolarHBondContact O-N 3.04Å |
| 963 | Q | 53.6 | Low | 59.3 | Low | 120 Ų | 120 | 37 Ų | 37 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -51.5 | -27.5 | 165.7 | -53.2 | -163.6 | -28.9 | 0 | 0 | 112.9 | I961 P1022 | I961-Q963 PolarHBondContact O-N 2.88Å; Q963-P1022 HydrophobicContact CB-CG 4.14Å; Q963-P1022 HydrophobicContact CG-CG 3.8Å |
| 964 | S | 55.4 | Low | 60.6 | Low | 73 Ų | 73 | 38.7 Ų | 38.7 | 51% | 0.51 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -90.6 | -3.7 | 180 | 64.5 | 0 | 0 | 0 | 0 | 115 | I961 G962 | I961-S964 PolarHBondContact O-N 3.35Å; I961-S964 PolarHBondContact O-OG 3.37Å; G962-S964 PolarHBondContact O-N 2.91Å; G962-S964 VanDerWaalsContact O-N 3.15Å |
| 965 | I | 59.7 | Low | 62 | Low | 18 Ų | 18 | 38.4 Ų | 38.4 | 9% | 0.092 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -139.4 | 23.1 | -173.9 | 55.2 | 166.4 | 0 | 0 | 0 | 112.8 | L925 Q928 G962 E967 E968 I969 | L925-I965 HydrophobicContact CD2-CD1 4.18Å; Q928-I965 HydrophobicContact CB-CG2 4.26Å; Q928-I965 VanDerWaalsContact CD-CG2 3.43Å; Q928-I965 HydrophobicContact CG-CG2 3.71Å; G962-I965 CarbonylContact O-C 3.5Å; G962-I965 PolarHBondContact O-N 3.47Å; G962-I965 VanDerWaalsContact O-N 3.07Å; I965-E967 VanDerWaalsContact C-N 3.29Å; I965-E967 PolarHBondContact O-N 3.46Å; I965-E968 WeakPolarHBondContact CA-OE2 3.21Å; I965-E968 PolarHBondContact O-N 3.2Å; I965-I969 HydrophobicContact CD1-CD1 3.74Å; I965-I969 HydrophobicContact CD1-CG1 4.25Å; I965-I969 HydrophobicContact CG1-CD1 3.76Å; I965-I969 HydrophobicContact CG1-CG1 4.38Å; I965-I969 WeakPolarHBondContact O-CD1 3.39Å; I965-I969 VanDerWaalsContact O-CG1 3.28Å; I965-I969 WeakPolarHBondContact O-CG1 3.48Å; I965-I969 PolarHBondContact O-N 2.9Å; I965-I969 VanDerWaalsContact O-N 3.1Å |
| 966 | T | 66.6 | Low | 63.3 | Low | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.08 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | -179.2 | 39.2 | 0 | 0 | 0 | 0 | 112.4 | G962 E970 V1021 P1022 E1023 T1026 | G962-T966 WeakPolarHBondContact O-CG2 3.5Å; G962-T966 PolarHBondContact O-N 3.04Å; T966-E970 VanDerWaalsContact O-CB 3.3Å; T966-E970 WeakPolarHBondContact O-CB 3.27Å; T966-E970 PolarHBondContact O-N 2.98Å; T966-V1021 HydrophobicContact CG2-CG1 3.43Å; T966-V1021 VanDerWaalsContact CG2-CG1 3.43Å; T966-P1022 HydrophobicContact CG2-CG 4.49Å; T966-E1023 WeakPolarHBondContact CB-OE2 3.38Å; T966-E1023 HydrophobicContact CG2-CB 4.24Å; T966-E1023 HydrophobicContact CG2-CG 4.49Å; T966-E1023 PolarHBondContact OG1-OE2 2.99Å; T966-T1026 WeakPolarHBondContact CB-OG1 3.33Å; T966-T1026 HydrophobicContact CG2-CG2 4.48Å; T966-T1026 PolarHBondContact O-OG1 3.09Å |
| 967 | E | 69 | Low | 64.7 | Low | 97 Ų | 97 | 36.9 Ų | 36.9 | 45% | 0.453 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 179.3 | -167.6 | -179.6 | -146.5 | 0 | 0 | 111.4 | K877 I965 I969 E970 I971 | K877-E967 IonicContact NZ-OE2 3.77Å; K877-E967 PolarHBondContact NZ-OE2 3.42Å; I965-E967 VanDerWaalsContact C-N 3.29Å; I965-E967 PolarHBondContact O-N 3.46Å; E967-I969 VanDerWaalsContact C-N 3.35Å; E967-I969 PolarHBondContact O-N 3.38Å; E967-E970 PolarHBondContact O-N 3.46Å; E967-I971 HydrophobicContact CG-CD1 3.86Å; E967-I971 WeakPolarHBondContact O-CB 3.42Å; E967-I971 VanDerWaalsContact O-CG1 3.25Å; E967-I971 WeakPolarHBondContact O-CG1 3.35Å; E967-I971 PolarHBondContact O-N 2.88Å |
| 968 | E | 70.3 | Confident | 65.9 | Low | 39 Ų | 39 | 38.7 Ų | 38.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 179.9 | -68.5 | 83.7 | 173.5 | 0 | 0 | 112.7 | I965 S972 | I965-E968 WeakPolarHBondContact CA-OE2 3.21Å; I965-E968 PolarHBondContact O-N 3.2Å; E968-S972 WeakPolarHBondContact O-CB 3.3Å; E968-S972 PolarHBondContact O-N 3.41Å; E968-S972 PolarHBondContact O-OG 3.4Å |
| 969 | I | 69.5 | Low | 67 | Low | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -47.5 | 175.5 | -70.5 | 166.8 | 0 | 0 | 0 | 110.3 | I965 E967 S972 S973 F1011 L1014 T1026 | I965-I969 HydrophobicContact CD1-CD1 3.74Å; I965-I969 HydrophobicContact CD1-CG1 4.25Å; I965-I969 HydrophobicContact CG1-CD1 3.76Å; I965-I969 HydrophobicContact CG1-CG1 4.38Å; I965-I969 WeakPolarHBondContact O-CD1 3.39Å; I965-I969 VanDerWaalsContact O-CG1 3.28Å; I965-I969 WeakPolarHBondContact O-CG1 3.48Å; I965-I969 PolarHBondContact O-N 2.9Å; I965-I969 VanDerWaalsContact O-N 3.1Å; E967-I969 VanDerWaalsContact C-N 3.35Å; E967-I969 PolarHBondContact O-N 3.38Å; I969-S972 PolarHBondContact O-N 3.47Å; I969-S973 WeakPolarHBondContact O-CB 3.5Å; I969-S973 PolarHBondContact O-N 2.86Å; I969-S973 PolarHBondContact O-OG 3.29Å; I969-F1011 HydrophobicContact CG2-CD1 4.13Å; I969-F1011 HydrophobicContact CG2-CE1 4.09Å; I969-L1014 HydrophobicContact CD1-CD1 3.74Å; I969-L1014 HydrophobicContact CD1-CD2 4.48Å; I969-L1014 HydrophobicContact CG1-CD1 4.24Å; I969-L1014 HydrophobicContact CG2-CD1 3.78Å; I969-T1026 HydrophobicContact CB-CG2 3.8Å; I969-T1026 HydrophobicContact CG2-CG2 3.43Å; I969-T1026 VanDerWaalsContact CG2-CG2 3.43Å |
| 970 | E | 74.1 | Confident | 68 | Low | 28 Ų | 28 | 37.6 Ų | 37.6 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | -180 | 179 | 177.5 | 158.5 | 0 | 0 | 112 | T966 E967 S973 R974 S1025 | T966-E970 VanDerWaalsContact O-CB 3.3Å; T966-E970 WeakPolarHBondContact O-CB 3.27Å; T966-E970 PolarHBondContact O-N 2.98Å; E967-E970 PolarHBondContact O-N 3.46Å; E970-S973 PolarHBondContact O-OG 2.97Å; E970-S973 VanDerWaalsContact O-OG 3.05Å; E970-R974 WeakPolarHBondContact O-CB 3.44Å; E970-R974 WeakPolarHBondContact O-CG 3.27Å; E970-R974 PolarHBondContact O-N 3.24Å; E970-R974 VanDerWaalsContact O-N 3.12Å; E970-R974 IonicContact OE1-CZ 3.67Å; E970-R974 IonicContact OE1-NH1 2.63Å; E970-R974 PolarHBondContact OE1-NH1 3.46Å; E970-R974 IonicContact OE1-NH2 3.15Å; E970-R974 PolarHBondContact OE1-NH2 2.9Å; E970-S1025 WeakPolarHBondContact OE2-CB 3.36Å; E970-S1025 PolarHBondContact OE2-OG 2.95Å |
| 971 | I | 73.5 | Confident | 68.9 | Low | 15 Ų | 15 | 34.5 Ų | 34.5 | 8% | 0.077 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 178.8 | -70.8 | 170.2 | 0 | 0 | 0 | 110.6 | E880 L883 E967 F975 | E880-I971 HydrophobicContact CB-CG1 4.46Å; L883-I971 HydrophobicContact CD1-CG2 3.49Å; L883-I971 VanDerWaalsContact CD1-CG2 3.49Å; E967-I971 HydrophobicContact CG-CD1 3.86Å; E967-I971 WeakPolarHBondContact O-CB 3.42Å; E967-I971 VanDerWaalsContact O-CG1 3.25Å; E967-I971 WeakPolarHBondContact O-CG1 3.35Å; E967-I971 PolarHBondContact O-N 2.88Å; I971-F975 WeakPolarHBondContact O-CB 3.35Å; I971-F975 PolarHBondContact O-N 3.3Å |
| 972 | S | 74.4 | Confident | 69.7 | Low | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | -178.1 | -58 | 0 | 0 | 0 | 0 | 112.4 | E968 I969 F975 I976 | E968-S972 WeakPolarHBondContact O-CB 3.3Å; E968-S972 PolarHBondContact O-N 3.41Å; E968-S972 PolarHBondContact O-OG 3.4Å; I969-S972 PolarHBondContact O-N 3.47Å; S972-F975 PolarHBondContact O-N 3.43Å; S972-I976 WeakPolarHBondContact O-CG1 2.98Å; S972-I976 PolarHBondContact O-N 3.45Å |
| 973 | S | 75.5 | Confident | 69.9 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 179 | 70.6 | 0 | 0 | 0 | 0 | 111.5 | I969 E970 S977 S1029 | I969-S973 WeakPolarHBondContact O-CB 3.5Å; I969-S973 PolarHBondContact O-N 2.86Å; I969-S973 PolarHBondContact O-OG 3.29Å; E970-S973 PolarHBondContact O-OG 2.97Å; E970-S973 VanDerWaalsContact O-OG 3.05Å; S973-S977 WeakPolarHBondContact O-CB 3.37Å; S973-S977 PolarHBondContact O-N 2.9Å; S973-S1029 WeakPolarHBondContact OG-CB 3.19Å; S973-S1029 PolarHBondContact OG-OG 3.42Å |
| 974 | R | 78 | Confident | 69.7 | Low | 82 Ų | 82 | 37 Ų | 37 | 31% | 0.309 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 172.9 | -76.9 | -176.7 | 177.4 | 144.5 | 13.5 | 112 | E970 I976 S977 Q978 | E970-R974 WeakPolarHBondContact O-CB 3.44Å; E970-R974 WeakPolarHBondContact O-CG 3.27Å; E970-R974 PolarHBondContact O-N 3.24Å; E970-R974 VanDerWaalsContact O-N 3.12Å; E970-R974 IonicContact OE1-CZ 3.67Å; E970-R974 IonicContact OE1-NH1 2.63Å; E970-R974 PolarHBondContact OE1-NH1 3.46Å; E970-R974 IonicContact OE1-NH2 3.15Å; E970-R974 PolarHBondContact OE1-NH2 2.9Å; R974-I976 PolarHBondContact O-N 3.35Å; R974-S977 WeakPolarHBondContact O-CB 3.38Å; R974-S977 PolarHBondContact O-N 3.08Å; R974-Q978 VanDerWaalsContact O-CG 3.31Å; R974-Q978 WeakPolarHBondContact O-CG 3.42Å; R974-Q978 PolarHBondContact O-N 3.09Å |
| 975 | F | 80.9 | Confident | 69.4 | Low | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57 | -50.1 | 178.8 | 169 | -101.7 | 0 | 0 | 0 | 111.7 | L883 Q887 L914 I917 I971 S972 S977 Q978 L979 | L883-F975 HydrophobicContact CB-CD2 3.96Å; L883-F975 HydrophobicContact CB-CE2 4.44Å; L883-F975 HydrophobicContact CD1-CB 3.96Å; L883-F975 HydrophobicContact CD1-CD2 4.31Å; L883-F975 HydrophobicContact CD1-CG 4.06Å; L883-F975 HydrophobicContact CD2-CD2 4.13Å; L883-F975 HydrophobicContact CD2-CE2 4.1Å; L883-F975 HydrophobicContact CD2-CG 4.38Å; L883-F975 HydrophobicContact CD2-CZ 4.35Å; L883-F975 HydrophobicContact CG-CD2 4.38Å; Q887-F975 HydrophobicContact CB-CD2 4.11Å; Q887-F975 HydrophobicContact CB-CE2 3.82Å; Q887-F975 HydrophobicContact CG-CD2 4.38Å; Q887-F975 HydrophobicContact CG-CE2 4.26Å; L914-F975 HydrophobicContact CD1-CE1 4.31Å; L914-F975 HydrophobicContact CD1-CZ 4.43Å; I917-F975 HydrophobicContact CB-CE1 4.39Å; I917-F975 HydrophobicContact CD1-CE1 4.22Å; I917-F975 HydrophobicContact CD1-CE2 4.25Å; I917-F975 HydrophobicContact CD1-CZ 3.53Å; I917-F975 HydrophobicContact CG2-CD1 4.22Å; I917-F975 HydrophobicContact CG2-CE1 3.55Å; I917-F975 HydrophobicContact CG2-CZ 3.99Å; I971-F975 WeakPolarHBondContact O-CB 3.35Å; I971-F975 PolarHBondContact O-N 3.3Å; S972-F975 PolarHBondContact O-N 3.43Å; F975-S977 VanDerWaalsContact C-N 3.33Å; F975-S977 PolarHBondContact O-N 3.17Å; F975-Q978 PolarHBondContact O-N 3.23Å; F975-L979 HydrophobicContact CD1-CD1 3.97Å; F975-L979 HydrophobicContact CD2-CD1 4.22Å; F975-L979 HydrophobicContact CE1-CD1 3.37Å; F975-L979 HydrophobicContact CE2-CD1 3.67Å; F975-L979 HydrophobicContact CE2-CG 4.49Å; F975-L979 HydrophobicContact CG-CD1 4.37Å; F975-L979 HydrophobicContact CZ-CD1 3.21Å; F975-L979 HydrophobicContact CZ-CG 4.41Å; F975-L979 PolarHBondContact O-N 3.02Å; F975-L979 VanDerWaalsContact O-N 3.09Å |
| 976 | I | 77.5 | Confident | 68.5 | Low | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 177.5 | -64.5 | 176.6 | 0 | 0 | 0 | 110.5 | L918 S972 R974 Q978 L979 I980 L1000 F1011 L1033 | L918-I976 HydrophobicContact CD2-CD1 4.26Å; S972-I976 WeakPolarHBondContact O-CG1 2.98Å; S972-I976 PolarHBondContact O-N 3.45Å; R974-I976 PolarHBondContact O-N 3.35Å; I976-Q978 VanDerWaalsContact C-N 3.3Å; I976-Q978 PolarHBondContact O-N 3.1Å; I976-L979 PolarHBondContact O-N 3.46Å; I976-I980 HydrophobicContact CG2-CD1 3.52Å; I976-I980 HydrophobicContact CG2-CG1 4.13Å; I976-I980 WeakPolarHBondContact O-CB 3.46Å; I976-I980 VanDerWaalsContact O-CG1 3.26Å; I976-I980 WeakPolarHBondContact O-CG1 3.36Å; I976-I980 PolarHBondContact O-N 3.15Å; I976-L1000 HydrophobicContact CD1-CD2 4.41Å; I976-L1000 HydrophobicContact CG2-CD1 4.41Å; I976-L1000 HydrophobicContact CG2-CD2 4.05Å; I976-F1011 HydrophobicContact CD1-CD2 3.94Å; I976-F1011 HydrophobicContact CD1-CE2 3.44Å; I976-F1011 VanDerWaalsContact CD1-CE2 3.44Å; I976-F1011 HydrophobicContact CD1-CZ 4.42Å; I976-L1033 HydrophobicContact CB-CD1 4.18Å; I976-L1033 HydrophobicContact CB-CD2 4.46Å; I976-L1033 HydrophobicContact CG2-CD1 3.69Å; I976-L1033 HydrophobicContact CG2-CD2 4.37Å |
| 977 | S | 77.2 | Confident | 67.4 | Low | 8 Ų | 8 | 55.5 Ų | 55.5 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 179.7 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | S973 R974 F975 N981 H1036 | S973-S977 WeakPolarHBondContact O-CB 3.37Å; S973-S977 PolarHBondContact O-N 2.9Å; R974-S977 WeakPolarHBondContact O-CB 3.38Å; R974-S977 PolarHBondContact O-N 3.08Å; F975-S977 VanDerWaalsContact C-N 3.33Å; F975-S977 PolarHBondContact O-N 3.17Å; S977-N981 WeakPolarHBondContact O-CB 3.38Å; S977-N981 PolarHBondContact O-N 3.42Å; S977-H1036 PolarHBondContact OG-CE1 3.44Å; S977-H1036 PolarHBondContact OG-ND1 3.02Å |
| 978 | Q | 76.7 | Confident | 66.4 | Low | 83 Ų | 83 | 57 Ų | 57 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73 | -41.9 | 179.5 | -67.3 | 175.2 | 8.7 | 0 | 0 | 111.4 | Q887 R974 F975 I976 I980 N981 F982 | Q887-Q978 VanDerWaalsContact CD-OE1 3.32Å; R974-Q978 VanDerWaalsContact O-CG 3.31Å; R974-Q978 WeakPolarHBondContact O-CG 3.42Å; R974-Q978 PolarHBondContact O-N 3.09Å; F975-Q978 PolarHBondContact O-N 3.23Å; I976-Q978 VanDerWaalsContact C-N 3.3Å; I976-Q978 PolarHBondContact O-N 3.1Å; Q978-I980 VanDerWaalsContact C-N 3.34Å; Q978-I980 PolarHBondContact O-N 3.16Å; Q978-N981 PolarHBondContact O-N 3.47Å; Q978-F982 PolarHBondContact O-N 3.14Å |
| 979 | L | 74.5 | Confident | 65.4 | Low | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 173.6 | -90.9 | 163.5 | 0 | 0 | 0 | 112.9 | Q887 I890 L914 F975 I976 F982 | Q887-L979 HydrophobicContact CG-CG 4.29Å; I890-L979 HydrophobicContact CG2-CD2 3.81Å; L914-L979 HydrophobicContact CD1-CD1 3.71Å; F975-L979 HydrophobicContact CD1-CD1 3.97Å; F975-L979 HydrophobicContact CD2-CD1 4.22Å; F975-L979 HydrophobicContact CE1-CD1 3.37Å; F975-L979 HydrophobicContact CE2-CD1 3.67Å; F975-L979 HydrophobicContact CE2-CG 4.49Å; F975-L979 HydrophobicContact CG-CD1 4.37Å; F975-L979 HydrophobicContact CZ-CD1 3.21Å; F975-L979 HydrophobicContact CZ-CG 4.41Å; F975-L979 PolarHBondContact O-N 3.02Å; F975-L979 VanDerWaalsContact O-N 3.09Å; I976-L979 PolarHBondContact O-N 3.46Å; L979-F982 WeakPolarHBondContact O-CB 3.45Å; L979-F982 PolarHBondContact O-N 3.01Å |
| 980 | I | 71.3 | Confident | 64.7 | Low | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.5 | -38.2 | -180 | -72.8 | 176.7 | 0 | 0 | 0 | 111.4 | I976 Q978 F982 F997 L1000 L1033 L1037 I1040 | I976-I980 HydrophobicContact CG2-CD1 3.52Å; I976-I980 HydrophobicContact CG2-CG1 4.13Å; I976-I980 WeakPolarHBondContact O-CB 3.46Å; I976-I980 VanDerWaalsContact O-CG1 3.26Å; I976-I980 WeakPolarHBondContact O-CG1 3.36Å; I976-I980 PolarHBondContact O-N 3.15Å; Q978-I980 VanDerWaalsContact C-N 3.34Å; Q978-I980 PolarHBondContact O-N 3.16Å; I980-F982 PolarHBondContact O-N 3.18Å; I980-F997 HydrophobicContact CG2-CZ 4.3Å; I980-L1000 HydrophobicContact CD1-CD1 3.67Å; I980-L1000 HydrophobicContact CG1-CD1 3.86Å; I980-L1033 HydrophobicContact CD1-CD1 3.95Å; I980-L1037 HydrophobicContact CD1-CD1 3.5Å; I980-L1037 HydrophobicContact CD1-CG 4.05Å; I980-I1040 HydrophobicContact CB-CD1 4.47Å; I980-I1040 HydrophobicContact CG2-CD1 3.1Å; I980-I1040 WeakPolarHBondContact O-CD1 2.95Å |
| 981 | N | 69.7 | Low | 63.9 | Low | 63 Ų | 63 | 65.8 Ų | 65.8 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.3 | 179.4 | -87.7 | -12 | 0 | 0 | 0 | 114.7 | S977 Q978 K983 H1036 | S977-N981 WeakPolarHBondContact O-CB 3.38Å; S977-N981 PolarHBondContact O-N 3.42Å; Q978-N981 PolarHBondContact O-N 3.47Å; N981-K983 PolarHBondContact O-N 2.9Å; N981-H1036 PolarHBondContact ND2-CD2 3.38Å; N981-H1036 PolarHBondContact ND2-CE1 2.97Å; N981-H1036 PolarHBondContact ND2-ND1 3.49Å; N981-H1036 VanDerWaalsContact ND2-ND1 3.12Å; N981-H1036 PolarHBondContact ND2-NE2 2.96Å |
| 982 | F | 66.3 | Low | 63.3 | Low | 31 Ų | 31 | 66.4 Ų | 66.4 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | trans | -53.8 | 123.9 | -178.8 | -175.3 | -116.6 | 0 | 0 | 0 | 111.8 | E891 F894 N895 Q978 L979 I980 S984 R993 | E891-F982 HydrophobicContact CB-CD2 3.97Å; E891-F982 HydrophobicContact CB-CE2 3.38Å; E891-F982 HydrophobicContact CB-CZ 3.67Å; E891-F982 HydrophobicContact CG-CD2 3.48Å; E891-F982 VanDerWaalsContact CG-CD2 3.48Å; E891-F982 HydrophobicContact CG-CE2 3.47Å; E891-F982 VanDerWaalsContact CG-CE2 3.47Å; E891-F982 HydrophobicContact CG-CG 4.14Å; E891-F982 HydrophobicContact CG-CZ 4.06Å; E891-F982 WeakPolarHBondContact O-CZ 3.44Å; F894-F982 HydrophobicContact CB-CE1 4.02Å; N895-F982 HydrophobicContact CB-CE1 4.12Å; N895-F982 HydrophobicContact CB-CZ 3.69Å; N895-F982 WeakPolarHBondContact ND2-CE1 3.35Å; N895-F982 WeakPolarHBondContact ND2-CE2 3.32Å; N895-F982 WeakPolarHBondContact ND2-CZ 3.32Å; N895-F982 WeakPolarHBondContact OD1-CE1 2.9Å; N895-F982 WeakPolarHBondContact OD1-CZ 3.43Å; Q978-F982 PolarHBondContact O-N 3.14Å; L979-F982 WeakPolarHBondContact O-CB 3.45Å; L979-F982 PolarHBondContact O-N 3.01Å; I980-F982 PolarHBondContact O-N 3.18Å; F982-S984 PolarHBondContact O-N 3.46Å; F982-R993 PolarHBondContact O-NH2 3.18Å | ||
| 983 | K | 55.4 | Low | 62.7 | Low | 181 Ų | 181 | 68.9 Ų | 68.9 | 79% | 0.787 | 33% | 0.33 | S | S | * | . | trans | -80.9 | 100.7 | 177.4 | -85.6 | -173.3 | 176.8 | -179.4 | 0 | 109.4 | N895 N981 | N895-K983 PolarHBondContact ND2-O 3.15Å; N981-K983 PolarHBondContact O-N 2.9Å | ||
| 984 | S | 49.2 | Very low | 62.2 | Low | 20 Ų | 20 | 74 Ų | 74 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | trans | -82.3 | 140 | 164.1 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | F982 E986 G989 | F982-S984 PolarHBondContact O-N 3.46Å; S984-E986 PolarHBondContact O-N 3.13Å; S984-G989 VanDerWaalsContact CB-CA 3.43Å; S984-G989 WeakPolarHBondContact OG-CA 3.35Å | ||
| 985 | Q | 48 | Very low | 61.5 | Low | 154 Ų | 154 | 72.3 Ų | 72.3 | 72% | 0.72 | 35% | 0.353 | S | S | * | . | trans | -51.3 | 138.5 | 174.4 | -69.4 | -176.9 | -9.5 | 0 | 0 | 112.1 | T987 K988 | Q985-T987 PolarHBondContact O-N 3.19Å; Q985-K988 PolarHBondContact O-N 3.3Å | ||
| 986 | E | 42.1 | Very low | 60.9 | Low | 203 Ų | 203 | 72.7 Ų | 72.7 | 95% | 0.949 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -9.3 | -156.5 | -68 | -178.4 | 152.4 | 0 | 0 | 118 | S984 | S984-E986 PolarHBondContact O-N 3.13Š|
| 987 | T | 43.6 | Very low | 60.3 | Low | 134 Ų | 134 | 73 Ų | 73 | 82% | 0.822 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -17.8 | -171.8 | 54.3 | 0 | 0 | 0 | 0 | 115.5 | Q985 | Q985-T987 PolarHBondContact O-N 3.19Š|
| 988 | K | 47.7 | Very low | 59.9 | Low | 129 Ų | 129 | 77.4 Ų | 77.4 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -3.6 | -178.8 | -71 | -176.9 | -178.9 | 175.3 | 0 | 114.9 | Q985 N990 Q991 | Q985-K988 PolarHBondContact O-N 3.3Å; K988-N990 PolarHBondContact O-N 3.45Å; K988-N990 VanDerWaalsContact O-N 3.09Å; K988-Q991 PolarHBondContact O-N 3.46Å |
| 989 | G | 49.3 | Very low | 59.4 | Low | 5 Ų | 5 | 75 Ų | 75 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53.2 | -31.2 | -178 | 0 | 0 | 0 | 0 | 0 | 117.1 | S984 Q991 Q992 R993 | S984-G989 VanDerWaalsContact CB-CA 3.43Å; S984-G989 WeakPolarHBondContact OG-CA 3.35Å; G989-Q991 VanDerWaalsContact C-N 3.32Å; G989-Q991 PolarHBondContact O-N 2.94Å; G989-Q992 PolarHBondContact O-N 3.34Å; G989-R993 PolarHBondContact O-N 2.95Å |
| 990 | N | 53.1 | Low | 59 | Low | 97 Ų | 97 | 75.1 Ų | 75.1 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.1 | -25.5 | -174.1 | -66.9 | -10.8 | 0 | 0 | 0 | 113.9 | K988 K994 | K988-N990 PolarHBondContact O-N 3.45Å; K988-N990 VanDerWaalsContact O-N 3.09Å; N990-K994 WeakPolarHBondContact O-CB 3.44Å |
| 991 | Q | 57.9 | Low | 58.5 | Low | 154 Ų | 154 | 77.3 Ų | 77.3 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -81 | -39.6 | 178.5 | -78.8 | -175.4 | -18.2 | 0 | 0 | 112.3 | K988 G989 K994 S995 | K988-Q991 PolarHBondContact O-N 3.46Å; G989-Q991 VanDerWaalsContact C-N 3.32Å; G989-Q991 PolarHBondContact O-N 2.94Å; Q991-K994 WeakPolarHBondContact O-CB 3.28Å; Q991-K994 PolarHBondContact O-N 3.38Å; Q991-S995 PolarHBondContact O-N 2.93Å; Q991-S995 PolarHBondContact O-OG 3.22Å |
| 992 | Q | 60.4 | Low | 58.2 | Low | 28 Ų | 28 | 78.6 Ų | 78.6 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.3 | -43.2 | -177.4 | -65.7 | 172.3 | -21.9 | 0 | 0 | 111.2 | F894 G989 K994 S995 I996 | F894-Q992 HydrophobicContact CD1-CB 4.35Å; F894-Q992 HydrophobicContact CD1-CG 4.35Å; F894-Q992 PolarHBondContact O-NE2 3.32Å; G989-Q992 PolarHBondContact O-N 3.34Å; Q992-K994 VanDerWaalsContact C-N 3.28Å; Q992-K994 PolarHBondContact O-N 3.23Å; Q992-S995 PolarHBondContact O-N 3.42Å; Q992-I996 PolarHBondContact O-N 3.12Å |
| 993 | R | 63 | Low | 57.7 | Low | 56 Ų | 56 | 84.2 Ų | 84.2 | 21% | 0.211 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 173 | -73.3 | -179.8 | 177.6 | 178.7 | -2.2 | 112 | F982 G989 S995 I996 F997 E1044 | F982-R993 PolarHBondContact O-NH2 3.18Å; G989-R993 PolarHBondContact O-N 2.95Å; R993-S995 VanDerWaalsContact C-N 3.33Å; R993-S995 PolarHBondContact O-N 2.86Å; R993-I996 WeakPolarHBondContact O-CB 3.43Å; R993-I996 PolarHBondContact O-N 3.16Å; R993-I996 VanDerWaalsContact O-N 3.14Å; R993-F997 HydrophobicContact CB-CD2 4.25Å; R993-F997 HydrophobicContact CB-CE2 4.27Å; R993-F997 WeakPolarHBondContact O-CD2 3.49Å; R993-F997 PolarHBondContact O-N 2.8Å; R993-E1044 WeakPolarHBondContact CD-OE1 3.36Å; R993-E1044 IonicContact CZ-OE1 3.38Å; R993-E1044 IonicContact NE-OE1 2.73Å; R993-E1044 IonicContact NH1-OE1 2.69Å; R993-E1044 PolarHBondContact NH1-OE1 2.91Å |
| 994 | K | 63.9 | Low | 57.6 | Low | 107 Ų | 107 | 78.4 Ų | 78.4 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 176.4 | -166.4 | 174.3 | -173.7 | 174.4 | 0 | 112.8 | N990 Q991 Q992 F997 N998 | N990-K994 WeakPolarHBondContact O-CB 3.44Å; Q991-K994 WeakPolarHBondContact O-CB 3.28Å; Q991-K994 PolarHBondContact O-N 3.38Å; Q992-K994 VanDerWaalsContact C-N 3.28Å; Q992-K994 PolarHBondContact O-N 3.23Å; K994-F997 PolarHBondContact O-N 3.34Å; K994-N998 WeakPolarHBondContact O-CB 3.37Å; K994-N998 PolarHBondContact O-N 2.97Å; K994-N998 PolarHBondContact O-ND2 3.4Å; K994-N998 PolarHBondContact O-OD1 3.04Å |
| 995 | S | 64.6 | Low | 58.1 | Low | 48 Ų | 48 | 78.1 Ų | 78.1 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 174.1 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | Q991 Q992 R993 L999 | Q991-S995 PolarHBondContact O-N 2.93Å; Q991-S995 PolarHBondContact O-OG 3.22Å; Q992-S995 PolarHBondContact O-N 3.42Å; R993-S995 VanDerWaalsContact C-N 3.33Å; R993-S995 PolarHBondContact O-N 2.86Å; S995-L999 PolarHBondContact O-N 3.19Å; S995-L999 VanDerWaalsContact O-N 3.11Å |
| 996 | I | 67.2 | Low | 58.8 | Low | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.4 | -63.2 | 169.2 | 0 | 0 | 0 | 110.4 | F894 L914 Q992 R993 L999 L1000 | F894-I996 HydrophobicContact CE2-CD1 4.08Å; F894-I996 HydrophobicContact CE2-CG1 4.27Å; F894-I996 HydrophobicContact CZ-CD1 4.41Å; F894-I996 HydrophobicContact CZ-CG1 4.21Å; L914-I996 HydrophobicContact CD2-CG1 4.39Å; L914-I996 HydrophobicContact CD2-CG2 4.44Å; Q992-I996 PolarHBondContact O-N 3.12Å; R993-I996 WeakPolarHBondContact O-CB 3.43Å; R993-I996 PolarHBondContact O-N 3.16Å; R993-I996 VanDerWaalsContact O-N 3.14Å; I996-L999 PolarHBondContact O-N 3.45Å; I996-L1000 HydrophobicContact CG2-CD1 3.87Å; I996-L1000 HydrophobicContact CG2-CG 4.42Å; I996-L1000 VanDerWaalsContact O-CG 3.31Å; I996-L1000 WeakPolarHBondContact O-CG 3.45Å; I996-L1000 PolarHBondContact O-N 2.97Å |
| 997 | F | 65.8 | Low | 59.8 | Low | 10 Ų | 10 | 63.4 Ų | 63.4 | 4% | 0.044 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 178.3 | -82.2 | -67.4 | 0 | 0 | 0 | 113.1 | I980 R993 K994 L999 L1000 N1001 L1037 I1040 I1047 I1052 | I980-F997 HydrophobicContact CG2-CZ 4.3Å; R993-F997 HydrophobicContact CB-CD2 4.25Å; R993-F997 HydrophobicContact CB-CE2 4.27Å; R993-F997 WeakPolarHBondContact O-CD2 3.49Å; R993-F997 PolarHBondContact O-N 2.8Å; K994-F997 PolarHBondContact O-N 3.34Å; F997-L999 VanDerWaalsContact C-N 3.33Å; F997-L1000 PolarHBondContact O-N 2.92Å; F997-N1001 VanDerWaalsContact O-CB 3.28Å; F997-N1001 WeakPolarHBondContact O-CB 3.36Å; F997-N1001 PolarHBondContact O-N 3.4Å; F997-L1037 HydrophobicContact CE1-CD2 4.06Å; F997-L1037 HydrophobicContact CE1-CG 4.36Å; F997-I1040 HydrophobicContact CE2-CG2 3.66Å; F997-I1040 HydrophobicContact CZ-CB 4.19Å; F997-I1040 HydrophobicContact CZ-CD1 4.44Å; F997-I1040 HydrophobicContact CZ-CG2 3.51Å; F997-I1047 HydrophobicContact CB-CD1 4.47Å; F997-I1047 HydrophobicContact CD1-CD1 4.45Å; F997-I1047 HydrophobicContact CD2-CD1 3.4Å; F997-I1047 HydrophobicContact CE2-CD1 3.65Å; F997-I1047 HydrophobicContact CG-CD1 3.87Å; F997-I1047 HydrophobicContact CZ-CD1 4.29Å; F997-I1052 HydrophobicContact CD1-CD1 4.31Å |
| 998 | N | 67.8 | Low | 60.9 | Low | 100 Ų | 100 | 57.4 Ų | 57.4 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.2 | -73.5 | -11.2 | 0 | 0 | 0 | 111.6 | K994 N1001 D1002 | K994-N998 WeakPolarHBondContact O-CB 3.37Å; K994-N998 PolarHBondContact O-N 2.97Å; K994-N998 PolarHBondContact O-ND2 3.4Å; K994-N998 PolarHBondContact O-OD1 3.04Å; N998-N1001 PolarHBondContact O-N 2.94Å; N998-D1002 PolarHBondContact O-N 2.87Å |
| 999 | L | 66.5 | Low | 61.7 | Low | 32 Ų | 32 | 56.7 Ų | 56.7 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.3 | -110.5 | 120.8 | 0 | 0 | 0 | 111.8 | L914 L918 S995 I996 F997 N1001 D1002 H1005 | L914-L999 HydrophobicContact CD2-CD2 4.38Å; L914-L999 HydrophobicContact CG-CD2 4.28Å; L918-L999 HydrophobicContact CD1-CB 4.4Å; L918-L999 HydrophobicContact CD1-CD2 3.91Å; S995-L999 PolarHBondContact O-N 3.19Å; S995-L999 VanDerWaalsContact O-N 3.11Å; I996-L999 PolarHBondContact O-N 3.45Å; F997-L999 VanDerWaalsContact C-N 3.33Å; L999-N1001 PolarHBondContact O-N 3.08Å; L999-D1002 PolarHBondContact O-N 3.14Å; L999-H1005 PolarHBondContact O-CD2 3.15Å |
| 1000 | L | 65.5 | Low | 62.4 | Low | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.1 | -21.5 | 179 | -71.5 | 169.5 | 0 | 0 | 0 | 113.5 | L918 I976 I980 I996 F997 L1008 | L918-L1000 HydrophobicContact CD1-CD2 4.29Å; L918-L1000 HydrophobicContact CD2-CD2 3.96Å; I976-L1000 HydrophobicContact CD1-CD2 4.41Å; I976-L1000 HydrophobicContact CG2-CD1 4.41Å; I976-L1000 HydrophobicContact CG2-CD2 4.05Å; I980-L1000 HydrophobicContact CD1-CD1 3.67Å; I980-L1000 HydrophobicContact CG1-CD1 3.86Å; I996-L1000 HydrophobicContact CG2-CD1 3.87Å; I996-L1000 HydrophobicContact CG2-CG 4.42Å; I996-L1000 VanDerWaalsContact O-CG 3.31Å; I996-L1000 WeakPolarHBondContact O-CG 3.45Å; I996-L1000 PolarHBondContact O-N 2.97Å; F997-L1000 PolarHBondContact O-N 2.92Å; L1000-L1008 HydrophobicContact CB-CD1 4.5Å; L1000-L1008 HydrophobicContact CD2-CD1 4.34Å |
| 1001 | N | 61 | Low | 63.2 | Low | 52 Ų | 52 | 53 Ų | 53 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 8.4 | -177.1 | -151 | 30.5 | 0 | 0 | 0 | 113.5 | F997 N998 L999 M1051 | F997-N1001 VanDerWaalsContact O-CB 3.28Å; F997-N1001 WeakPolarHBondContact O-CB 3.36Å; F997-N1001 PolarHBondContact O-N 3.4Å; N998-N1001 PolarHBondContact O-N 2.94Å; L999-N1001 PolarHBondContact O-N 3.08Å; N1001-M1051 VanDerWaalsContact ND2-CE 3.26Å; N1001-M1051 WeakPolarHBondContact ND2-CE 3.38Å; N1001-M1051 PolarHBondContact ND2-O 3.4Å; N1001-M1051 PolarHBondContact OD1-O 2.94Å |
| 1002 | D | 65 | Low | 63.6 | Low | 89 Ų | 89 | 46 Ų | 46 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | trans | -65.8 | 134.1 | 173.2 | -153.5 | -24.9 | 0 | 0 | 0 | 108.9 | N998 L999 A1004 H1005 | N998-D1002 PolarHBondContact O-N 2.87Å; L999-D1002 PolarHBondContact O-N 3.14Å; D1002-A1004 PolarHBondContact O-N 3.37Å; D1002-H1005 PolarHBondContact O-N 2.74Å | ||
| 1003 | D | 55.9 | Low | 63.8 | Low | 149 Ų | 149 | 45.2 Ų | 45.2 | 80% | 0.797 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -17.3 | -179.4 | -82.4 | -35.4 | 0 | 0 | 0 | 111.9 | H1005 | D1003-H1005 VanDerWaalsContact C-N 3.31Š|
| 1004 | A | 52 | Low | 63.9 | Low | 59 Ų | 59 | 43 Ų | 43 | 49% | 0.488 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -22.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | N922 D1002 | N922-A1004 PolarHBondContact ND2-O 2.97Å; D1002-A1004 PolarHBondContact O-N 3.37Å |
| 1005 | H | 60.3 | Low | 63.9 | Low | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | trans | -110.3 | 95.4 | -171.9 | -61.3 | -56.5 | 0 | 0 | 0 | 113.2 | D919 N922 L999 D1002 D1003 S1007 | D919-H1005 IonicContact OD1-CE1 2.92Å; D919-H1005 PolarHBondContact OD1-CE1 3.12Å; D919-H1005 IonicContact OD1-ND1 2.65Å; N922-H1005 WeakPolarHBondContact ND2-CA 3.4Å; N922-H1005 PolarHBondContact ND2-ND1 2.86Å; L999-H1005 PolarHBondContact O-CD2 3.15Å; D1002-H1005 PolarHBondContact O-N 2.74Å; D1003-H1005 VanDerWaalsContact C-N 3.31Å; H1005-S1007 VanDerWaalsContact C-N 3.3Å; H1005-S1007 PolarHBondContact O-N 3.11Å | ||
| 1006 | M | 61.8 | Low | 63.8 | Low | 47 Ų | 47 | 35.7 Ų | 35.7 | 23% | 0.232 | 19% | 0.192 | C | C | . | . | trans | -79.3 | -10.5 | -179.3 | -69.3 | -64.4 | -81.9 | 0 | 0 | 113.9 | N922 I949 N950 L1008 K1009 L1010 | N922-M1006 PolarHBondContact OD1-N 3.14Å; N922-M1006 VanDerWaalsContact OD1-N 3.08Å; I949-M1006 HydrophobicContact CG2-CE 3.87Å; N950-M1006 WeakPolarHBondContact OD1-CE 3.42Å; M1006-L1008 PolarHBondContact O-N 3.23Å; M1006-K1009 PolarHBondContact O-N 3.25Å; M1006-L1010 PolarHBondContact O-N 3.29Å; M1006-L1010 VanDerWaalsContact O-N 3.12Å | ||
| 1007 | S | 63.1 | Low | 63.4 | Low | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | -174.6 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | N922 H1005 L1010 F1011 | N922-S1007 PolarHBondContact OD1-N 2.89Å; H1005-S1007 VanDerWaalsContact C-N 3.3Å; H1005-S1007 PolarHBondContact O-N 3.11Å; S1007-L1010 WeakPolarHBondContact O-CB 3.41Å; S1007-L1010 PolarHBondContact O-N 3.03Å; S1007-F1011 WeakPolarHBondContact O-CD2 3.36Å; S1007-F1011 WeakPolarHBondContact O-CE2 3.25Å; S1007-F1011 WeakPolarHBondContact O-CG 3.44Å; S1007-F1011 PolarHBondContact O-N 2.78Å |
| 1008 | L | 66.4 | Low | 63 | Low | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 179.9 | -162.2 | 83.7 | 0 | 0 | 0 | 112.5 | L1000 M1006 L1010 F1011 L1012 L1037 I1052 | L1000-L1008 HydrophobicContact CB-CD1 4.5Å; L1000-L1008 HydrophobicContact CD2-CD1 4.34Å; M1006-L1008 PolarHBondContact O-N 3.23Å; L1008-L1010 VanDerWaalsContact C-N 3.27Å; L1008-L1010 PolarHBondContact O-N 3.25Å; L1008-F1011 PolarHBondContact O-N 2.8Å; L1008-L1012 HydrophobicContact CD2-CD1 4.42Å; L1008-L1012 HydrophobicContact CG-CD1 4.27Å; L1008-L1012 WeakPolarHBondContact O-CG 3.43Å; L1008-L1012 PolarHBondContact O-N 3.44Å; L1008-L1037 HydrophobicContact CD1-CD1 3.76Å; L1008-I1052 HydrophobicContact CD2-CG2 4.21Å |
| 1009 | K | 64.5 | Low | 62.2 | Low | 113 Ų | 113 | 32.4 Ų | 32.4 | 49% | 0.491 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 174.6 | -84 | 177.6 | 178.9 | 163 | 0 | 110.5 | M1006 L1012 S1013 | M1006-K1009 PolarHBondContact O-N 3.25Å; K1009-L1012 PolarHBondContact O-N 2.96Å; K1009-S1013 WeakPolarHBondContact O-CB 3.39Å; K1009-S1013 PolarHBondContact O-N 2.87Å; K1009-S1013 PolarHBondContact O-OG 3.22Å |
| 1010 | L | 64.2 | Low | 61.5 | Low | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.12 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 179.1 | -156.2 | 113.7 | 0 | 0 | 0 | 112.4 | L925 M958 M1006 S1007 L1008 S1013 L1014 | L925-L1010 HydrophobicContact CD1-CD2 3.89Å; L925-L1010 HydrophobicContact CD2-CD2 3.5Å; L925-L1010 HydrophobicContact CG-CD2 4.29Å; M958-L1010 HydrophobicContact CE-CD1 3.88Å; M958-L1010 HydrophobicContact SD-CD1 3.83Å; M1006-L1010 PolarHBondContact O-N 3.29Å; M1006-L1010 VanDerWaalsContact O-N 3.12Å; S1007-L1010 WeakPolarHBondContact O-CB 3.41Å; S1007-L1010 PolarHBondContact O-N 3.03Å; L1008-L1010 VanDerWaalsContact C-N 3.27Å; L1008-L1010 PolarHBondContact O-N 3.25Å; L1010-S1013 PolarHBondContact O-N 3.37Å; L1010-L1014 HydrophobicContact CD2-CD1 3.73Å; L1010-L1014 HydrophobicContact CG-CD1 4.26Å; L1010-L1014 WeakPolarHBondContact O-CB 3.05Å; L1010-L1014 WeakPolarHBondContact O-CD1 3.47Å; L1010-L1014 WeakPolarHBondContact O-CG 3.27Å; L1010-L1014 PolarHBondContact O-N 2.91Å |
| 1011 | F | 70 | Confident | 61 | Low | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 177.5 | -62.9 | -52 | 0 | 0 | 0 | 112.6 | I921 I969 I976 S1007 L1008 L1014 A1015 L1033 | I921-F1011 HydrophobicContact CG2-CZ 4.22Å; I969-F1011 HydrophobicContact CG2-CD1 4.13Å; I969-F1011 HydrophobicContact CG2-CE1 4.09Å; I976-F1011 HydrophobicContact CD1-CD2 3.94Å; I976-F1011 HydrophobicContact CD1-CE2 3.44Å; I976-F1011 VanDerWaalsContact CD1-CE2 3.44Å; I976-F1011 HydrophobicContact CD1-CZ 4.42Å; S1007-F1011 WeakPolarHBondContact O-CD2 3.36Å; S1007-F1011 WeakPolarHBondContact O-CE2 3.25Å; S1007-F1011 WeakPolarHBondContact O-CG 3.44Å; S1007-F1011 PolarHBondContact O-N 2.78Å; L1008-F1011 PolarHBondContact O-N 2.8Å; F1011-L1014 PolarHBondContact O-N 2.77Å; F1011-A1015 WeakPolarHBondContact O-CB 3.49Å; F1011-A1015 PolarHBondContact O-N 2.88Å; F1011-L1033 HydrophobicContact CB-CD2 3.7Å; F1011-L1033 HydrophobicContact CD2-CD2 3.9Å; F1011-L1033 HydrophobicContact CG-CD2 3.91Å |
| 1012 | L | 67.8 | Low | 60.6 | Low | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -52.1 | 174.3 | -71.6 | 165.8 | 0 | 0 | 0 | 109.4 | L1008 K1009 L1014 A1015 F1016 A1034 I1052 L1057 | L1008-L1012 HydrophobicContact CD2-CD1 4.42Å; L1008-L1012 HydrophobicContact CG-CD1 4.27Å; L1008-L1012 WeakPolarHBondContact O-CG 3.43Å; L1008-L1012 PolarHBondContact O-N 3.44Å; K1009-L1012 PolarHBondContact O-N 2.96Å; L1012-L1014 VanDerWaalsContact C-N 3.27Å; L1012-L1014 PolarHBondContact O-N 3.23Å; L1012-A1015 WeakPolarHBondContact O-CB 3.29Å; L1012-A1015 PolarHBondContact O-N 3.35Å; L1012-A1015 VanDerWaalsContact O-N 3.09Å; L1012-F1016 HydrophobicContact CB-CD2 4.37Å; L1012-F1016 HydrophobicContact CB-CE2 4.24Å; L1012-F1016 HydrophobicContact CD2-CE2 4.02Å; L1012-F1016 WeakPolarHBondContact O-CD2 3.34Å; L1012-F1016 PolarHBondContact O-N 2.87Å; L1012-A1034 HydrophobicContact CD2-CB 3.82Å; L1012-I1052 HydrophobicContact CD1-CG2 4.22Å; L1012-L1057 HydrophobicContact CD1-CD2 4.23Å |
| 1013 | S | 63.6 | Low | 60.4 | Low | 12 Ų | 12 | 33.6 Ų | 33.6 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -32.9 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | K1009 L1010 S1017 | K1009-S1013 WeakPolarHBondContact O-CB 3.39Å; K1009-S1013 PolarHBondContact O-N 2.87Å; K1009-S1013 PolarHBondContact O-OG 3.22Å; L1010-S1013 PolarHBondContact O-N 3.37Å; S1013-S1017 VanDerWaalsContact O-CB 3.29Å; S1013-S1017 WeakPolarHBondContact O-CB 3.29Å; S1013-S1017 PolarHBondContact O-N 3.17Å; S1013-S1017 PolarHBondContact O-OG 2.95Å |
| 1014 | L | 64.7 | Low | 61 | Low | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.7 | -43.9 | 172.3 | -81.1 | 155 | 0 | 0 | 0 | 112.5 | I969 L1010 F1011 L1012 F1016 S1017 G1018 V1021 C1030 | I969-L1014 HydrophobicContact CD1-CD1 3.74Å; I969-L1014 HydrophobicContact CD1-CD2 4.48Å; I969-L1014 HydrophobicContact CG1-CD1 4.24Å; I969-L1014 HydrophobicContact CG2-CD1 3.78Å; L1010-L1014 HydrophobicContact CD2-CD1 3.73Å; L1010-L1014 HydrophobicContact CG-CD1 4.26Å; L1010-L1014 WeakPolarHBondContact O-CB 3.05Å; L1010-L1014 WeakPolarHBondContact O-CD1 3.47Å; L1010-L1014 WeakPolarHBondContact O-CG 3.27Å; L1010-L1014 PolarHBondContact O-N 2.91Å; F1011-L1014 PolarHBondContact O-N 2.77Å; L1012-L1014 VanDerWaalsContact C-N 3.27Å; L1012-L1014 PolarHBondContact O-N 3.23Å; L1014-F1016 PolarHBondContact O-N 2.67Å; L1014-S1017 PolarHBondContact O-N 2.74Å; L1014-S1017 PolarHBondContact O-OG 2.99Å; L1014-G1018 PolarHBondContact O-N 3.38Å; L1014-V1021 HydrophobicContact CD2-CG2 3.56Å; L1014-C1030 HydrophobicContact CB-CB 4.46Å |
| 1015 | A | 65.1 | Low | 61.8 | Low | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.2 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1011 L1012 C1030 I1031 A1034 Y1083 | F1011-A1015 WeakPolarHBondContact O-CB 3.49Å; F1011-A1015 PolarHBondContact O-N 2.88Å; L1012-A1015 WeakPolarHBondContact O-CB 3.29Å; L1012-A1015 PolarHBondContact O-N 3.35Å; L1012-A1015 VanDerWaalsContact O-N 3.09Å; A1015-C1030 VanDerWaalsContact CB-C 3.48Å; A1015-C1030 HydrophobicContact CB-CB 3.83Å; A1015-C1030 WeakPolarHBondContact CB-O 3.43Å; A1015-I1031 HydrophobicContact CB-CG1 4.2Å; A1015-A1034 HydrophobicContact CB-CB 4.05Å; A1015-Y1083 PolarHBondContact O-OH 3.48Å |
| 1016 | F | 61.2 | Low | 62.2 | Low | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -88 | -22.9 | -176.6 | -66.7 | -71.5 | 0 | 0 | 0 | 113.9 | L1012 L1014 I1061 C1064 Y1083 L1086 L1090 | L1012-F1016 HydrophobicContact CB-CD2 4.37Å; L1012-F1016 HydrophobicContact CB-CE2 4.24Å; L1012-F1016 HydrophobicContact CD2-CE2 4.02Å; L1012-F1016 WeakPolarHBondContact O-CD2 3.34Å; L1012-F1016 PolarHBondContact O-N 2.87Å; L1014-F1016 PolarHBondContact O-N 2.67Å; F1016-I1061 HydrophobicContact CB-CB 4.31Å; F1016-I1061 HydrophobicContact CB-CG1 3.92Å; F1016-I1061 HydrophobicContact CB-CG2 4.24Å; F1016-I1061 HydrophobicContact CD1-CB 4.04Å; F1016-I1061 HydrophobicContact CD1-CD1 4.09Å; F1016-I1061 HydrophobicContact CD1-CG1 3.75Å; F1016-I1061 HydrophobicContact CD1-CG2 3.27Å; F1016-I1061 HydrophobicContact CD2-CD1 3.62Å; F1016-I1061 HydrophobicContact CD2-CG1 3.42Å; F1016-I1061 VanDerWaalsContact CD2-CG1 3.42Å; F1016-I1061 HydrophobicContact CE1-CB 4.45Å; F1016-I1061 HydrophobicContact CE1-CD1 3.82Å; F1016-I1061 HydrophobicContact CE1-CG1 4.03Å; F1016-I1061 HydrophobicContact CE1-CG2 3.6Å; F1016-I1061 HydrophobicContact CE2-CD1 3.42Å; F1016-I1061 VanDerWaalsContact CE2-CD1 3.42Å; F1016-I1061 HydrophobicContact CE2-CG1 3.81Å; F1016-I1061 HydrophobicContact CG-CB 4.09Å; F1016-I1061 HydrophobicContact CG-CD1 4.02Å; F1016-I1061 HydrophobicContact CG-CG1 3.45Å; F1016-I1061 VanDerWaalsContact CG-CG1 3.45Å; F1016-I1061 HydrophobicContact CG-CG2 3.83Å; F1016-I1061 HydrophobicContact CZ-CD1 3.53Å; F1016-I1061 HydrophobicContact CZ-CG1 4.1Å; F1016-I1061 HydrophobicContact CZ-CG2 4.44Å; F1016-C1064 VanDerWaalsContact O-CB 3.32Å; F1016-C1064 WeakPolarHBondContact O-CB 3.41Å; F1016-Y1083 PolarHBondContact O-OH 3.14Å; F1016-L1086 HydrophobicContact CD1-CD2 3.35Å; F1016-L1086 HydrophobicContact CD1-CG 4.23Å; F1016-L1086 HydrophobicContact CE1-CD1 3.88Å; F1016-L1086 HydrophobicContact CE1-CD2 3.18Å; F1016-L1086 HydrophobicContact CE1-CG 3.54Å; F1016-L1086 HydrophobicContact CG-CD2 4.37Å; F1016-L1086 HydrophobicContact CZ-CD1 3.96Å; F1016-L1086 HydrophobicContact CZ-CD2 4.04Å; F1016-L1086 HydrophobicContact CZ-CG 4.13Å; F1016-L1090 HydrophobicContact CE1-CD1 3.69Å; F1016-L1090 HydrophobicContact CZ-CD1 4.08Å |
| 1017 | S | 59.6 | Low | 62.6 | Low | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -85.9 | -24.1 | 177.7 | 59.6 | 0 | 0 | 0 | 0 | 115.6 | S1013 L1014 I1019 | S1013-S1017 VanDerWaalsContact O-CB 3.29Å; S1013-S1017 WeakPolarHBondContact O-CB 3.29Å; S1013-S1017 PolarHBondContact O-N 3.17Å; S1013-S1017 PolarHBondContact O-OG 2.95Å; L1014-S1017 PolarHBondContact O-N 2.74Å; L1014-S1017 PolarHBondContact O-OG 2.99Å; S1017-I1019 PolarHBondContact O-N 3.38Å |
| 1018 | G | 57.8 | Low | 63.1 | Low | 7 Ų | 7 | 30.1 Ų | 30.1 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | trans | 43.6 | -9.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | L1014 Y1083 | L1014-G1018 PolarHBondContact O-N 3.38Å; G1018-Y1083 WeakPolarHBondContact CA-OH 3.31Å; G1018-Y1083 PolarHBondContact N-OH 3.44Å | ||
| 1019 | I | 50.6 | Low | 63.6 | Low | 39 Ų | 39 | 29.8 Ų | 29.8 | 20% | 0.2 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -135.2 | -5.3 | -168.1 | -73.4 | -156.6 | 0 | 0 | 0 | 113.2 | S1017 I1068 K1071 L1079 | S1017-I1019 PolarHBondContact O-N 3.38Å; I1019-I1068 HydrophobicContact CB-CD1 4.44Å; I1019-I1068 HydrophobicContact CB-CG1 3.9Å; I1019-I1068 HydrophobicContact CD1-CB 3.5Å; I1019-I1068 VanDerWaalsContact CD1-CB 3.5Å; I1019-I1068 HydrophobicContact CD1-CD1 3.91Å; I1019-I1068 HydrophobicContact CD1-CG1 3.41Å; I1019-I1068 VanDerWaalsContact CD1-CG1 3.41Å; I1019-I1068 HydrophobicContact CD1-CG2 3.14Å; I1019-I1068 HydrophobicContact CG1-CB 4.2Å; I1019-I1068 HydrophobicContact CG1-CD1 3.74Å; I1019-I1068 HydrophobicContact CG1-CG1 3.51Å; I1019-I1068 HydrophobicContact CG1-CG2 4.18Å; I1019-K1071 HydrophobicContact CG2-CD 3.51Å; I1019-K1071 HydrophobicContact CG2-CG 4.36Å; I1019-K1071 PolarHBondContact O-NZ 3.25Å; I1019-L1079 HydrophobicContact CD1-CD2 3.89Å; I1019-L1079 HydrophobicContact CG1-CD2 4.04Å |
| 1020 | S | 51.5 | Low | 64.2 | Low | 19 Ų | 19 | 24.4 Ų | 24.4 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -96.9 | -11.5 | 178.8 | 21.1 | 0 | 0 | 0 | 0 | 112.7 | S959 | S959-S1020 CarbonylContact C-O 3.58Å; S959-S1020 VanDerWaalsContact CB-CB 3.42Å; S959-S1020 WeakPolarHBondContact CB-OG 3.38Å; S959-S1020 CarbonylContact O-C 3.59Å; S959-S1020 WeakPolarHBondContact OG-CB 3.12Å; S959-S1020 PolarHBondContact OG-OG 3.2Å |
| 1021 | V | 54.5 | Low | 64.8 | Low | 14 Ų | 14 | 23.4 Ų | 23.4 | 9% | 0.085 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -96.2 | 131.8 | 174.1 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | T966 L1014 T1026 V1027 | T966-V1021 HydrophobicContact CG2-CG1 3.43Å; T966-V1021 VanDerWaalsContact CG2-CG1 3.43Å; L1014-V1021 HydrophobicContact CD2-CG2 3.56Å; V1021-T1026 HydrophobicContact CG1-CG2 4.14Å; V1021-V1027 HydrophobicContact CB-CG2 4.02Å; V1021-V1027 HydrophobicContact CG2-CG2 4.47Å |
| 1022 | P | 52.4 | Low | 65.2 | Low | 80 Ų | 80 | 27.3 Ų | 27.3 | 52% | 0.519 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -74.8 | -23 | -174.1 | 26.9 | -33.2 | 0 | 0 | 0 | 113.7 | Q963 T966 | Q963-P1022 HydrophobicContact CB-CG 4.14Å; Q963-P1022 HydrophobicContact CG-CG 3.8Å; T966-P1022 HydrophobicContact CG2-CG 4.49Å |
| 1023 | E | 60.9 | Low | 65.7 | Low | 94 Ų | 94 | 27 Ų | 27 | 44% | 0.439 | 14% | 0.142 | S | C | . | . | trans | -104.2 | 123.3 | -175.7 | -68.7 | -176.7 | 152.5 | 0 | 0 | 112.3 | T966 S1025 T1026 | T966-E1023 WeakPolarHBondContact CB-OE2 3.38Å; T966-E1023 HydrophobicContact CG2-CB 4.24Å; T966-E1023 HydrophobicContact CG2-CG 4.49Å; T966-E1023 PolarHBondContact OG1-OE2 2.99Å; E1023-S1025 VanDerWaalsContact C-N 3.3Å; E1023-S1025 PolarHBondContact O-N 3.02Å; E1023-T1026 PolarHBondContact O-N 3.23Å | ||
| 1024 | W | 69.4 | Low | 66.3 | Low | 92 Ų | 92 | 26.5 Ų | 26.5 | 35% | 0.348 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.3 | -36.1 | -177.5 | 172.7 | -113.5 | 0 | 0 | 0 | 113.2 | T1026 V1027 E1028 K1078 L1079 K1082 | W1024-T1026 VanDerWaalsContact C-N 3.3Å; W1024-T1026 PolarHBondContact O-N 2.88Å; W1024-V1027 HydrophobicContact CE3-CB 4.39Å; W1024-V1027 HydrophobicContact CZ3-CB 4.41Å; W1024-V1027 HydrophobicContact CZ3-CG1 4.14Å; W1024-V1027 PolarHBondContact O-N 3.45Å; W1024-E1028 HydrophobicContact CZ2-CB 4.33Å; W1024-E1028 PolarHBondContact NE1-OE2 3.41Å; W1024-E1028 WeakPolarHBondContact O-CB 3.13Å; W1024-E1028 PolarHBondContact O-N 3.4Å; W1024-K1078 HydrophobicContact CZ2-CB 4.35Å; W1024-L1079 HydrophobicContact CE3-CD1 4.29Å; W1024-L1079 HydrophobicContact CH2-CB 4.48Å; W1024-L1079 HydrophobicContact CH2-CD1 3.96Å; W1024-L1079 HydrophobicContact CZ3-CB 4.42Å; W1024-L1079 HydrophobicContact CZ3-CD1 3.33Å; W1024-L1079 HydrophobicContact CZ3-CG 4.47Å; W1024-K1082 HydrophobicContact CH2-CG 4.23Å; W1024-K1082 HydrophobicContact CZ2-CG 4.4Å |
| 1025 | S | 68.6 | Low | 66.9 | Low | 37 Ų | 37 | 26.7 Ų | 26.7 | 26% | 0.259 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.1 | -35.6 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 113 | E970 E1023 S1029 | E970-S1025 WeakPolarHBondContact OE2-CB 3.36Å; E970-S1025 PolarHBondContact OE2-OG 2.95Å; E1023-S1025 VanDerWaalsContact C-N 3.3Å; E1023-S1025 PolarHBondContact O-N 3.02Å; S1025-S1029 WeakPolarHBondContact O-CB 3.46Å; S1025-S1029 PolarHBondContact O-N 2.87Å; S1025-S1029 VanDerWaalsContact O-N 3.1Å; S1025-S1029 PolarHBondContact O-OG 3.41Å |
| 1026 | T | 68.9 | Low | 67.4 | Low | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 176 | -43.6 | 0 | 0 | 0 | 0 | 111.8 | T966 I969 V1021 E1023 W1024 S1029 C1030 | T966-T1026 WeakPolarHBondContact CB-OG1 3.33Å; T966-T1026 HydrophobicContact CG2-CG2 4.48Å; T966-T1026 PolarHBondContact O-OG1 3.09Å; I969-T1026 HydrophobicContact CB-CG2 3.8Å; I969-T1026 HydrophobicContact CG2-CG2 3.43Å; I969-T1026 VanDerWaalsContact CG2-CG2 3.43Å; V1021-T1026 HydrophobicContact CG1-CG2 4.14Å; E1023-T1026 PolarHBondContact O-N 3.23Å; W1024-T1026 VanDerWaalsContact C-N 3.3Å; W1024-T1026 PolarHBondContact O-N 2.88Å; T1026-S1029 PolarHBondContact O-OG 3.36Å; T1026-C1030 PolarHBondContact O-N 3.25Å; T1026-C1030 PolarHBondContact O-SG 2.79Å; T1026-C1030 VanDerWaalsContact O-SG 3.37Å |
| 1027 | V | 70 | Confident | 67.9 | Low | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -43.1 | 178.2 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | V1021 W1024 S1029 C1030 I1031 L1079 | V1021-V1027 HydrophobicContact CB-CG2 4.02Å; V1021-V1027 HydrophobicContact CG2-CG2 4.47Å; W1024-V1027 HydrophobicContact CE3-CB 4.39Å; W1024-V1027 HydrophobicContact CZ3-CB 4.41Å; W1024-V1027 HydrophobicContact CZ3-CG1 4.14Å; W1024-V1027 PolarHBondContact O-N 3.45Å; V1027-S1029 PolarHBondContact O-N 3.05Å; V1027-C1030 PolarHBondContact O-N 3.33Å; V1027-I1031 HydrophobicContact CG1-CD1 3.75Å; V1027-I1031 HydrophobicContact CG1-CG1 4.33Å; V1027-I1031 WeakPolarHBondContact O-CG1 3.43Å; V1027-I1031 PolarHBondContact O-N 3.5Å; V1027-L1079 HydrophobicContact CG1-CD1 4.46Å |
| 1028 | E | 74.4 | Confident | 68.5 | Low | 64 Ų | 64 | 29.1 Ų | 29.1 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.9 | -45 | 179.7 | -179.3 | 165.5 | -163.5 | 0 | 0 | 112.4 | W1024 I1031 Q1032 | W1024-E1028 HydrophobicContact CZ2-CB 4.33Å; W1024-E1028 PolarHBondContact NE1-OE2 3.41Å; W1024-E1028 WeakPolarHBondContact O-CB 3.13Å; W1024-E1028 PolarHBondContact O-N 3.4Å; E1028-I1031 PolarHBondContact O-N 3.32Å; E1028-Q1032 WeakPolarHBondContact O-CB 3.28Å; E1028-Q1032 PolarHBondContact O-N 3.03Å |
| 1029 | S | 76.1 | Confident | 69.2 | Low | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 178.8 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | S973 S1025 T1026 V1027 Q1032 L1033 | S973-S1029 WeakPolarHBondContact OG-CB 3.19Å; S973-S1029 PolarHBondContact OG-OG 3.42Å; S1025-S1029 WeakPolarHBondContact O-CB 3.46Å; S1025-S1029 PolarHBondContact O-N 2.87Å; S1025-S1029 VanDerWaalsContact O-N 3.1Å; S1025-S1029 PolarHBondContact O-OG 3.41Å; T1026-S1029 PolarHBondContact O-OG 3.36Å; V1027-S1029 PolarHBondContact O-N 3.05Å; S1029-Q1032 PolarHBondContact O-N 3.17Å; S1029-L1033 PolarHBondContact O-N 3.33Å |
| 1030 | C | 76.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | 174 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | L1014 A1015 T1026 V1027 L1033 A1034 | L1014-C1030 HydrophobicContact CB-CB 4.46Å; A1015-C1030 VanDerWaalsContact CB-C 3.48Å; A1015-C1030 HydrophobicContact CB-CB 3.83Å; A1015-C1030 WeakPolarHBondContact CB-O 3.43Å; T1026-C1030 PolarHBondContact O-N 3.25Å; T1026-C1030 PolarHBondContact O-SG 2.79Å; T1026-C1030 VanDerWaalsContact O-SG 3.37Å; V1027-C1030 PolarHBondContact O-N 3.33Å; C1030-L1033 PolarHBondContact O-N 2.66Å; C1030-A1034 WeakPolarHBondContact O-CB 3.48Å; C1030-A1034 PolarHBondContact O-N 3.43Å |
| 1031 | I | 76.6 | Confident | 70.9 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 174 | -68.8 | 171 | 0 | 0 | 0 | 110.4 | A1015 V1027 E1028 A1034 C1035 K1082 | A1015-I1031 HydrophobicContact CB-CG1 4.2Å; V1027-I1031 HydrophobicContact CG1-CD1 3.75Å; V1027-I1031 HydrophobicContact CG1-CG1 4.33Å; V1027-I1031 WeakPolarHBondContact O-CG1 3.43Å; V1027-I1031 PolarHBondContact O-N 3.5Å; E1028-I1031 PolarHBondContact O-N 3.32Å; I1031-A1034 PolarHBondContact O-N 3.2Å; I1031-C1035 WeakPolarHBondContact O-CB 3.22Å; I1031-C1035 PolarHBondContact O-N 3.3Å; I1031-C1035 PolarHBondContact O-SG 2.9Å; I1031-C1035 VanDerWaalsContact O-SG 3.33Å; I1031-K1082 HydrophobicContact CD1-CB 4.08Å; I1031-K1082 HydrophobicContact CG2-CB 4.28Å; I1031-K1082 HydrophobicContact CG2-CD 4.37Å |
| 1032 | Q | 79.3 | Confident | 71.5 | Confident | 83 Ų | 83 | 31 Ų | 31 | 39% | 0.388 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58 | -49.6 | 174.9 | -103 | 179.2 | -16.5 | 0 | 0 | 112 | E1028 S1029 A1034 C1035 H1036 | E1028-Q1032 WeakPolarHBondContact O-CB 3.28Å; E1028-Q1032 PolarHBondContact O-N 3.03Å; S1029-Q1032 PolarHBondContact O-N 3.17Å; Q1032-A1034 VanDerWaalsContact C-N 3.32Å; Q1032-A1034 PolarHBondContact O-N 3.43Å; Q1032-C1035 PolarHBondContact O-N 3.05Å; Q1032-H1036 VanDerWaalsContact O-CG 3.27Å; Q1032-H1036 PolarHBondContact O-N 3.12Å; Q1032-H1036 PolarHBondContact O-ND1 3.16Å; Q1032-H1036 VanDerWaalsContact O-ND1 3.11Å |
| 1033 | L | 78.9 | Confident | 72.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.3 | -48.8 | 176.2 | 172.8 | 61.6 | 0 | 0 | 0 | 111 | I976 I980 F1011 S1029 C1030 C1035 H1036 L1037 | I976-L1033 HydrophobicContact CB-CD1 4.18Å; I976-L1033 HydrophobicContact CB-CD2 4.46Å; I976-L1033 HydrophobicContact CG2-CD1 3.69Å; I976-L1033 HydrophobicContact CG2-CD2 4.37Å; I980-L1033 HydrophobicContact CD1-CD1 3.95Å; F1011-L1033 HydrophobicContact CB-CD2 3.7Å; F1011-L1033 HydrophobicContact CD2-CD2 3.9Å; F1011-L1033 HydrophobicContact CG-CD2 3.91Å; S1029-L1033 PolarHBondContact O-N 3.33Å; C1030-L1033 PolarHBondContact O-N 2.66Å; L1033-C1035 PolarHBondContact O-N 3.48Å; L1033-H1036 PolarHBondContact O-N 3.47Å; L1033-L1037 HydrophobicContact CD1-CD1 3.93Å; L1033-L1037 HydrophobicContact CG-CD1 4.35Å; L1033-L1037 WeakPolarHBondContact O-CB 3.49Å; L1033-L1037 PolarHBondContact O-N 2.6Å |
| 1034 | A | 76 | Confident | 72.2 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1012 A1015 C1030 I1031 Q1032 L1037 L1038 L1086 | L1012-A1034 HydrophobicContact CD2-CB 3.82Å; A1015-A1034 HydrophobicContact CB-CB 4.05Å; C1030-A1034 WeakPolarHBondContact O-CB 3.48Å; C1030-A1034 PolarHBondContact O-N 3.43Å; I1031-A1034 PolarHBondContact O-N 3.2Å; Q1032-A1034 VanDerWaalsContact C-N 3.32Å; Q1032-A1034 PolarHBondContact O-N 3.43Å; A1034-L1037 PolarHBondContact O-N 3.45Å; A1034-L1038 WeakPolarHBondContact O-CB 3.21Å; A1034-L1038 WeakPolarHBondContact O-CD1 3.28Å; A1034-L1038 WeakPolarHBondContact O-CG 3.42Å; A1034-L1038 PolarHBondContact O-N 2.89Å; A1034-L1086 HydrophobicContact CB-CD1 3.66Å |
| 1035 | C | 75.9 | Confident | 71.4 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 10% | 0.095 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.2 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | I1031 Q1032 L1033 L1038 T1039 | I1031-C1035 WeakPolarHBondContact O-CB 3.22Å; I1031-C1035 PolarHBondContact O-N 3.3Å; I1031-C1035 PolarHBondContact O-SG 2.9Å; I1031-C1035 VanDerWaalsContact O-SG 3.33Å; Q1032-C1035 PolarHBondContact O-N 3.05Å; L1033-C1035 PolarHBondContact O-N 3.48Å; C1035-L1038 PolarHBondContact O-N 3.27Å; C1035-T1039 VanDerWaalsContact O-CB 3.32Å; C1035-T1039 WeakPolarHBondContact O-CB 3.47Å; C1035-T1039 PolarHBondContact O-N 3.33Å; C1035-T1039 PolarHBondContact O-OG1 3.14Å |
| 1036 | H | 75.4 | Confident | 70.9 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.1 | -67.9 | 142.5 | 0 | 0 | 0 | 111.9 | S977 N981 Q1032 L1033 T1039 I1040 | S977-H1036 PolarHBondContact OG-CE1 3.44Å; S977-H1036 PolarHBondContact OG-ND1 3.02Å; N981-H1036 PolarHBondContact ND2-CD2 3.38Å; N981-H1036 PolarHBondContact ND2-CE1 2.97Å; N981-H1036 PolarHBondContact ND2-ND1 3.49Å; N981-H1036 VanDerWaalsContact ND2-ND1 3.12Å; N981-H1036 PolarHBondContact ND2-NE2 2.96Å; Q1032-H1036 VanDerWaalsContact O-CG 3.27Å; Q1032-H1036 PolarHBondContact O-N 3.12Å; Q1032-H1036 PolarHBondContact O-ND1 3.16Å; Q1032-H1036 VanDerWaalsContact O-ND1 3.11Å; L1033-H1036 PolarHBondContact O-N 3.47Å; H1036-T1039 PolarHBondContact O-N 3.35Å; H1036-I1040 WeakPolarHBondContact O-CG1 3.47Å; H1036-I1040 PolarHBondContact O-N 2.82Å |
| 1037 | L | 73.5 | Confident | 70.6 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -50 | 176.6 | -122.2 | 133.8 | 0 | 0 | 0 | 112 | I980 F997 L1008 L1033 A1034 T1039 I1040 L1041 I1052 | I980-L1037 HydrophobicContact CD1-CD1 3.5Å; I980-L1037 HydrophobicContact CD1-CG 4.05Å; F997-L1037 HydrophobicContact CE1-CD2 4.06Å; F997-L1037 HydrophobicContact CE1-CG 4.36Å; L1008-L1037 HydrophobicContact CD1-CD1 3.76Å; L1033-L1037 HydrophobicContact CD1-CD1 3.93Å; L1033-L1037 HydrophobicContact CG-CD1 4.35Å; L1033-L1037 WeakPolarHBondContact O-CB 3.49Å; L1033-L1037 PolarHBondContact O-N 2.6Å; A1034-L1037 PolarHBondContact O-N 3.45Å; L1037-T1039 VanDerWaalsContact C-N 3.3Å; L1037-T1039 PolarHBondContact O-N 3.42Å; L1037-I1040 PolarHBondContact O-N 2.75Å; L1037-L1041 HydrophobicContact CD2-CD1 4.33Å; L1037-L1041 VanDerWaalsContact O-CG 3.31Å; L1037-L1041 WeakPolarHBondContact O-CG 3.09Å; L1037-L1041 PolarHBondContact O-N 2.78Å; L1037-I1052 HydrophobicContact CD2-CD1 3.78Å; L1037-I1052 HydrophobicContact CD2-CG2 4.06Å |
| 1038 | L | 72.1 | Confident | 70.3 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 176.8 | -73.2 | 164.2 | 0 | 0 | 0 | 110.9 | A1034 C1035 I1040 L1041 T1042 L1053 L1086 C1089 L1090 L1093 | A1034-L1038 WeakPolarHBondContact O-CB 3.21Å; A1034-L1038 WeakPolarHBondContact O-CD1 3.28Å; A1034-L1038 WeakPolarHBondContact O-CG 3.42Å; A1034-L1038 PolarHBondContact O-N 2.89Å; C1035-L1038 PolarHBondContact O-N 3.27Å; L1038-I1040 PolarHBondContact O-N 3.1Å; L1038-L1041 PolarHBondContact O-N 3.22Å; L1038-T1042 PolarHBondContact O-N 2.93Å; L1038-T1042 PolarHBondContact O-OG1 3.02Å; L1038-L1053 HydrophobicContact CD2-CD1 3.28Å; L1038-L1053 HydrophobicContact CG-CD1 4.46Å; L1038-L1086 HydrophobicContact CD1-CD1 3.93Å; L1038-C1089 HydrophobicContact CB-CB 3.77Å; L1038-C1089 HydrophobicContact CD1-CB 3.79Å; L1038-C1089 HydrophobicContact CG-CB 4.39Å; L1038-L1090 HydrophobicContact CD1-CG 4.16Å; L1038-L1090 HydrophobicContact CD2-CD2 4.41Å; L1038-L1090 HydrophobicContact CD2-CG 4.28Å; L1038-L1093 HydrophobicContact CB-CD1 4.27Å; L1038-L1093 HydrophobicContact CD2-CD1 3.51Å |
| 1039 | T | 71.6 | Confident | 69.8 | Low | 55 Ų | 55 | 43.4 Ų | 43.4 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | C1035 H1036 L1037 L1041 T1042 Y1043 | C1035-T1039 VanDerWaalsContact O-CB 3.32Å; C1035-T1039 WeakPolarHBondContact O-CB 3.47Å; C1035-T1039 PolarHBondContact O-N 3.33Å; C1035-T1039 PolarHBondContact O-OG1 3.14Å; H1036-T1039 PolarHBondContact O-N 3.35Å; L1037-T1039 VanDerWaalsContact C-N 3.3Å; L1037-T1039 PolarHBondContact O-N 3.42Å; T1039-L1041 PolarHBondContact O-N 3.42Å; T1039-T1042 VanDerWaalsContact O-CB 3.3Å; T1039-T1042 WeakPolarHBondContact O-CB 3.33Å; T1039-T1042 PolarHBondContact O-N 2.91Å; T1039-T1042 PolarHBondContact O-OG1 3.3Å; T1039-Y1043 HydrophobicContact CG2-CD2 3.8Å; T1039-Y1043 HydrophobicContact CG2-CE2 3.77Å; T1039-Y1043 VanDerWaalsContact O-CD2 3.22Å; T1039-Y1043 WeakPolarHBondContact O-CD2 3.41Å; T1039-Y1043 PolarHBondContact O-N 3.4Å |
| 1040 | I | 69.2 | Low | 69.1 | Low | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 179.8 | -68.3 | 161.3 | 0 | 0 | 0 | 111.5 | I980 F997 H1036 L1037 L1038 T1042 Y1043 E1044 | I980-I1040 HydrophobicContact CB-CD1 4.47Å; I980-I1040 HydrophobicContact CG2-CD1 3.1Å; I980-I1040 WeakPolarHBondContact O-CD1 2.95Å; F997-I1040 HydrophobicContact CE2-CG2 3.66Å; F997-I1040 HydrophobicContact CZ-CB 4.19Å; F997-I1040 HydrophobicContact CZ-CD1 4.44Å; F997-I1040 HydrophobicContact CZ-CG2 3.51Å; H1036-I1040 WeakPolarHBondContact O-CG1 3.47Å; H1036-I1040 PolarHBondContact O-N 2.82Å; L1037-I1040 PolarHBondContact O-N 2.75Å; L1038-I1040 PolarHBondContact O-N 3.1Å; I1040-T1042 PolarHBondContact O-N 3.4Å; I1040-Y1043 PolarHBondContact O-N 2.93Å; I1040-Y1043 VanDerWaalsContact O-N 3.14Å; I1040-E1044 HydrophobicContact CG2-CG 4.06Å; I1040-E1044 WeakPolarHBondContact O-CB 3.38Å; I1040-E1044 PolarHBondContact O-N 3.45Å |
| 1041 | L | 68.8 | Low | 68.5 | Low | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -26.5 | 173.2 | -70.9 | 170.9 | 0 | 0 | 0 | 113.1 | L1037 L1038 T1039 I1047 I1052 L1053 L1093 | L1037-L1041 HydrophobicContact CD2-CD1 4.33Å; L1037-L1041 VanDerWaalsContact O-CG 3.31Å; L1037-L1041 WeakPolarHBondContact O-CG 3.09Å; L1037-L1041 PolarHBondContact O-N 2.78Å; L1038-L1041 PolarHBondContact O-N 3.22Å; T1039-L1041 PolarHBondContact O-N 3.42Å; L1041-I1047 HydrophobicContact CD2-CB 3.95Å; L1041-I1047 HydrophobicContact CD2-CG2 3.4Å; L1041-I1052 HydrophobicContact CD1-CB 4.29Å; L1041-I1052 HydrophobicContact CD1-CD1 4.15Å; L1041-I1052 HydrophobicContact CD2-CD1 4Å; L1041-I1052 HydrophobicContact CG-CD1 4.49Å; L1041-L1053 HydrophobicContact CD1-CD1 4.31Å; L1041-L1093 HydrophobicContact CB-CD1 4.08Å; L1041-L1093 HydrophobicContact CB-CD2 4.35Å |
| 1042 | T | 66.2 | Low | 67.8 | Low | 43 Ų | 43 | 54.2 Ų | 54.2 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -77.8 | -33.4 | 178 | -37.9 | 0 | 0 | 0 | 0 | 112.1 | L1038 T1039 I1040 N1092 | L1038-T1042 PolarHBondContact O-N 2.93Å; L1038-T1042 PolarHBondContact O-OG1 3.02Å; T1039-T1042 VanDerWaalsContact O-CB 3.3Å; T1039-T1042 WeakPolarHBondContact O-CB 3.33Å; T1039-T1042 PolarHBondContact O-N 2.91Å; T1039-T1042 PolarHBondContact O-OG1 3.3Å; I1040-T1042 PolarHBondContact O-N 3.4Å; T1042-N1092 HydrophobicContact CG2-CB 3.64Å |
| 1043 | Y | 65.4 | Low | 67.1 | Low | 186 Ų | 186 | 50.5 Ų | 50.5 | 73% | 0.729 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -99.2 | -24.6 | -174.1 | -74.8 | -74.7 | 0 | 0 | 0 | 113.9 | T1039 I1040 N1045 | T1039-Y1043 HydrophobicContact CG2-CD2 3.8Å; T1039-Y1043 HydrophobicContact CG2-CE2 3.77Å; T1039-Y1043 VanDerWaalsContact O-CD2 3.22Å; T1039-Y1043 WeakPolarHBondContact O-CD2 3.41Å; T1039-Y1043 PolarHBondContact O-N 3.4Å; I1040-Y1043 PolarHBondContact O-N 2.93Å; I1040-Y1043 VanDerWaalsContact O-N 3.14Å; Y1043-N1045 PolarHBondContact O-N 3.33Å |
| 1044 | E | 62.6 | Low | 66.6 | Low | 21 Ų | 21 | 53.8 Ų | 53.8 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | trans | -93.7 | 98.3 | 178.9 | -70.4 | -165.4 | -174.9 | 0 | 0 | 111.8 | R993 I1040 N1046 I1047 | R993-E1044 WeakPolarHBondContact CD-OE1 3.36Å; R993-E1044 IonicContact CZ-OE1 3.38Å; R993-E1044 IonicContact NE-OE1 2.73Å; R993-E1044 IonicContact NH1-OE1 2.69Å; R993-E1044 PolarHBondContact NH1-OE1 2.91Å; I1040-E1044 HydrophobicContact CG2-CG 4.06Å; I1040-E1044 WeakPolarHBondContact O-CB 3.38Å; I1040-E1044 PolarHBondContact O-N 3.45Å; E1044-N1046 PolarHBondContact O-N 3.04Å; E1044-I1047 HydrophobicContact CB-CD1 4.39Å; E1044-I1047 PolarHBondContact O-N 3.11Å; E1044-I1047 WeakPolarHBondContact OE2-CD1 3.21Å | ||
| 1045 | N | 53.7 | Low | 66.1 | Low | 159 Ų | 159 | 54.8 Ų | 54.8 | 85% | 0.85 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -2.7 | -179.6 | -71.6 | -24.8 | 0 | 0 | 0 | 116.1 | Y1043 | Y1043-N1045 PolarHBondContact O-N 3.33Š|
| 1046 | N | 58.8 | Low | 65.7 | Low | 117 Ų | 117 | 57.9 Ų | 57.9 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 0.8 | -170.8 | -70.1 | -25.4 | 0 | 0 | 0 | 114.4 | E1044 | E1044-N1046 PolarHBondContact O-N 3.04Š|
| 1047 | I | 62.5 | Low | 65.3 | Low | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.138 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -117.9 | 120.9 | 180 | -53.5 | 174.5 | 0 | 0 | 0 | 107.5 | F997 L1041 E1044 P1049 | F997-I1047 HydrophobicContact CB-CD1 4.47Å; F997-I1047 HydrophobicContact CD1-CD1 4.45Å; F997-I1047 HydrophobicContact CD2-CD1 3.4Å; F997-I1047 HydrophobicContact CE2-CD1 3.65Å; F997-I1047 HydrophobicContact CG-CD1 3.87Å; F997-I1047 HydrophobicContact CZ-CD1 4.29Å; L1041-I1047 HydrophobicContact CD2-CB 3.95Å; L1041-I1047 HydrophobicContact CD2-CG2 3.4Å; E1044-I1047 HydrophobicContact CB-CD1 4.39Å; E1044-I1047 PolarHBondContact O-N 3.11Å; E1044-I1047 WeakPolarHBondContact OE2-CD1 3.21Å; I1047-P1049 VanDerWaalsContact O-CD 3.26Å; I1047-P1049 WeakPolarHBondContact O-CD 3.49Å |
| 1048 | D | 64 | Low | 65 | Low | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -71.2 | 115.7 | 176.7 | -173.8 | -4.3 | 0 | 0 | 0 | 109.2 | L1050 M1051 | D1048-L1050 PolarHBondContact O-N 3.38Å; D1048-L1050 VanDerWaalsContact O-N 3.13Å; D1048-L1050 WeakPolarHBondContact OD1-CB 3.35Å; D1048-L1050 PolarHBondContact OD1-N 3.25Å; D1048-L1050 VanDerWaalsContact OD1-N 3.11Å; D1048-M1051 HydrophobicContact CB-CG 4.38Å; D1048-M1051 WeakPolarHBondContact O-CB 3.38Å; D1048-M1051 PolarHBondContact O-N 2.94Å | ||
| 1049 | P | 62.5 | Low | 64.9 | Low | 30 Ų | 30 | 55.9 Ų | 55.9 | 20% | 0.195 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -60.6 | -24.8 | -179.4 | -19.7 | 31.4 | 0 | 0 | 0 | 113.2 | I1047 M1051 I1052 L1053 L1093 F1094 | I1047-P1049 VanDerWaalsContact O-CD 3.26Å; I1047-P1049 WeakPolarHBondContact O-CD 3.49Å; P1049-M1051 PolarHBondContact O-N 3.45Å; P1049-I1052 PolarHBondContact O-N 2.94Å; P1049-L1053 PolarHBondContact O-N 3.21Å; P1049-L1093 HydrophobicContact CB-CD2 3.51Å; P1049-L1093 HydrophobicContact CG-CD2 3.36Å; P1049-F1094 HydrophobicContact CB-CZ 4.4Å |
| 1050 | L | 62.4 | Low | 64.6 | Low | 88 Ų | 88 | 54.4 Ų | 54.4 | 46% | 0.461 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -68.4 | -16.8 | 175.3 | -77.4 | 148.9 | 0 | 0 | 0 | 113.1 | D1048 I1052 | D1048-L1050 PolarHBondContact O-N 3.38Å; D1048-L1050 VanDerWaalsContact O-N 3.13Å; D1048-L1050 WeakPolarHBondContact OD1-CB 3.35Å; D1048-L1050 PolarHBondContact OD1-N 3.25Å; D1048-L1050 VanDerWaalsContact OD1-N 3.11Å; L1050-I1052 PolarHBondContact O-N 3.32Å |
| 1051 | M | 62.2 | Low | 64.5 | Low | 121 Ų | 121 | 53.9 Ų | 53.9 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -69.3 | -21 | 171.8 | -86.6 | -148.1 | 90.6 | 0 | 0 | 113.1 | N1001 D1048 P1049 | N1001-M1051 VanDerWaalsContact ND2-CE 3.26Å; N1001-M1051 WeakPolarHBondContact ND2-CE 3.38Å; N1001-M1051 PolarHBondContact ND2-O 3.4Å; N1001-M1051 PolarHBondContact OD1-O 2.94Å; D1048-M1051 HydrophobicContact CB-CG 4.38Å; D1048-M1051 WeakPolarHBondContact O-CB 3.38Å; D1048-M1051 PolarHBondContact O-N 2.94Å; P1049-M1051 PolarHBondContact O-N 3.45Å |
| 1052 | I | 62.6 | Low | 64.5 | Low | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -38.1 | -174.7 | -56.1 | -171.8 | 0 | 0 | 0 | 111.3 | F997 L1008 L1012 L1037 L1041 P1049 L1050 L1057 | F997-I1052 HydrophobicContact CD1-CD1 4.31Å; L1008-I1052 HydrophobicContact CD2-CG2 4.21Å; L1012-I1052 HydrophobicContact CD1-CG2 4.22Å; L1037-I1052 HydrophobicContact CD2-CD1 3.78Å; L1037-I1052 HydrophobicContact CD2-CG2 4.06Å; L1041-I1052 HydrophobicContact CD1-CB 4.29Å; L1041-I1052 HydrophobicContact CD1-CD1 4.15Å; L1041-I1052 HydrophobicContact CD2-CD1 4Å; L1041-I1052 HydrophobicContact CG-CD1 4.49Å; P1049-I1052 PolarHBondContact O-N 2.94Å; L1050-I1052 PolarHBondContact O-N 3.32Å; I1052-L1057 WeakPolarHBondContact O-CD2 3.42Å |
| 1053 | L | 64.6 | Low | 64.5 | Low | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -115.8 | 81.2 | 179.1 | -76.6 | 139.4 | 0 | 0 | 0 | 110.5 | L1038 L1041 P1049 L1057 L1058 I1061 L1090 F1094 | L1038-L1053 HydrophobicContact CD2-CD1 3.28Å; L1038-L1053 HydrophobicContact CG-CD1 4.46Å; L1041-L1053 HydrophobicContact CD1-CD1 4.31Å; P1049-L1053 PolarHBondContact O-N 3.21Å; L1053-L1057 HydrophobicContact CD2-CD2 4.07Å; L1053-L1057 HydrophobicContact CG-CD2 4.41Å; L1053-L1058 HydrophobicContact CD2-CD1 4.46Å; L1053-I1061 HydrophobicContact CD2-CD1 3.9Å; L1053-L1090 HydrophobicContact CD2-CD2 4.27Å; L1053-F1094 HydrophobicContact CB-CE2 3.95Å; L1053-F1094 HydrophobicContact CB-CZ 4.43Å |
| 1054 | D | 68.5 | Low | 64.4 | Low | 73 Ų | 73 | 43.3 Ų | 43.3 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | trans | -73.1 | 164.8 | 170.5 | 73.1 | 5.4 | 0 | 0 | 0 | 111.4 | K1056 L1057 L1058 | D1054-K1056 PolarHBondContact O-N 3Å; D1054-K1056 VanDerWaalsContact O-N 3.13Å; D1054-K1056 WeakPolarHBondContact OD1-CB 3.32Å; D1054-K1056 PolarHBondContact OD1-N 3.11Å; D1054-L1057 PolarHBondContact O-N 3.49Å; D1054-L1057 VanDerWaalsContact OD1-CB 3.31Å; D1054-L1057 WeakPolarHBondContact OD1-CB 3.24Å; D1054-L1057 PolarHBondContact OD1-N 2.95Å; D1054-L1058 PolarHBondContact O-N 2.95Å | ||
| 1055 | D | 65.6 | Low | 64.5 | Low | 22 Ų | 22 | 42.3 Ų | 42.3 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -18.2 | -179.2 | -65.3 | -56.7 | 0 | 0 | 0 | 112.2 | F1059 K1097 K1119 | D1055-F1059 PolarHBondContact O-N 2.85Å; D1055-F1059 VanDerWaalsContact O-N 3.12Å; D1055-K1097 IonicContact OD1-NZ 2.79Å; D1055-K1097 PolarHBondContact OD1-NZ 3.28Å; D1055-K1119 HydrophobicContact CB-CD 4.07Å; D1055-K1119 WeakPolarHBondContact OD2-CD 3.43Å; D1055-K1119 WeakPolarHBondContact OD2-CE 3.28Å; D1055-K1119 IonicContact OD2-NZ 3.29Å; D1055-K1119 PolarHBondContact OD2-NZ 3.36Å |
| 1056 | K | 67.4 | Low | 65 | Low | 78 Ų | 78 | 34.8 Ų | 34.8 | 34% | 0.339 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -73.8 | -50.9 | 177 | -177.2 | -175.5 | 175.9 | -165.9 | 0 | 110.7 | D1054 L1058 F1059 E1060 I1123 | D1054-K1056 PolarHBondContact O-N 3Å; D1054-K1056 VanDerWaalsContact O-N 3.13Å; D1054-K1056 WeakPolarHBondContact OD1-CB 3.32Å; D1054-K1056 PolarHBondContact OD1-N 3.11Å; K1056-L1058 VanDerWaalsContact C-N 3.28Å; K1056-L1058 PolarHBondContact O-N 3.4Å; K1056-F1059 WeakPolarHBondContact O-CB 3.34Å; K1056-F1059 PolarHBondContact O-N 2.96Å; K1056-E1060 WeakPolarHBondContact CE-OE1 3.22Å; K1056-E1060 WeakPolarHBondContact O-CG 3.19Å; K1056-E1060 PolarHBondContact O-N 2.93Å; K1056-I1123 HydrophobicContact CG-CG1 4.34Å |
| 1057 | L | 66.7 | Low | 65.2 | Low | 11 Ų | 11 | 32 Ų | 32 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 173.5 | -167.6 | 72.4 | 0 | 0 | 0 | 109.9 | L1012 I1052 L1053 D1054 F1059 E1060 I1061 | L1012-L1057 HydrophobicContact CD1-CD2 4.23Å; I1052-L1057 WeakPolarHBondContact O-CD2 3.42Å; L1053-L1057 HydrophobicContact CD2-CD2 4.07Å; L1053-L1057 HydrophobicContact CG-CD2 4.41Å; D1054-L1057 PolarHBondContact O-N 3.49Å; D1054-L1057 VanDerWaalsContact OD1-CB 3.31Å; D1054-L1057 WeakPolarHBondContact OD1-CB 3.24Å; D1054-L1057 PolarHBondContact OD1-N 2.95Å; L1057-F1059 VanDerWaalsContact C-N 3.31Å; L1057-F1059 PolarHBondContact O-N 2.91Å; L1057-E1060 PolarHBondContact O-N 2.96Å; L1057-I1061 HydrophobicContact CG-CD1 4.17Å; L1057-I1061 WeakPolarHBondContact O-CB 3.42Å; L1057-I1061 WeakPolarHBondContact O-CD1 3.19Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.39Å; L1057-I1061 PolarHBondContact O-N 3.31Å |
| 1058 | L | 68 | Low | 65.1 | Low | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 176.5 | -150.2 | 86.8 | 0 | 0 | 0 | 112.7 | L1053 D1054 K1056 N1062 L1090 F1094 K1097 F1101 | L1053-L1058 HydrophobicContact CD2-CD1 4.46Å; D1054-L1058 PolarHBondContact O-N 2.95Å; K1056-L1058 VanDerWaalsContact C-N 3.28Å; K1056-L1058 PolarHBondContact O-N 3.4Å; L1058-N1062 PolarHBondContact O-N 3.41Å; L1058-N1062 PolarHBondContact O-ND2 3.4Å; L1058-L1090 HydrophobicContact CD1-CD2 3.71Å; L1058-F1094 HydrophobicContact CD1-CD2 4.11Å; L1058-F1094 HydrophobicContact CD1-CE2 4.38Å; L1058-K1097 HydrophobicContact CD2-CB 4.11Å; L1058-F1101 HydrophobicContact CD2-CD2 4.39Å |
| 1059 | F | 69.7 | Low | 64.8 | Low | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.1 | -46.6 | 173.9 | 172.8 | -101.4 | 0 | 0 | 0 | 112 | D1055 K1056 L1057 I1061 N1062 I1063 F1101 I1105 L1120 I1123 I1130 | D1055-F1059 PolarHBondContact O-N 2.85Å; D1055-F1059 VanDerWaalsContact O-N 3.12Å; K1056-F1059 WeakPolarHBondContact O-CB 3.34Å; K1056-F1059 PolarHBondContact O-N 2.96Å; L1057-F1059 VanDerWaalsContact C-N 3.31Å; L1057-F1059 PolarHBondContact O-N 2.91Å; F1059-I1061 VanDerWaalsContact C-N 3.26Å; F1059-I1061 PolarHBondContact O-N 2.81Å; F1059-N1062 PolarHBondContact O-N 2.99Å; F1059-N1062 VanDerWaalsContact O-N 3.1Å; F1059-I1063 HydrophobicContact CD1-CG1 4.08Å; F1059-I1063 HydrophobicContact CD2-CG1 4.34Å; F1059-I1063 HydrophobicContact CE1-CD1 4.14Å; F1059-I1063 HydrophobicContact CE1-CG1 3.68Å; F1059-I1063 HydrophobicContact CE2-CD1 3.94Å; F1059-I1063 HydrophobicContact CE2-CG1 3.95Å; F1059-I1063 HydrophobicContact CG-CG1 4.44Å; F1059-I1063 HydrophobicContact CZ-CD1 3.62Å; F1059-I1063 HydrophobicContact CZ-CG1 3.63Å; F1059-I1063 WeakPolarHBondContact O-CG1 3.27Å; F1059-I1063 PolarHBondContact O-N 2.75Å; F1059-F1101 HydrophobicContact CB-CE1 4.11Å; F1059-F1101 HydrophobicContact CB-CZ 4.33Å; F1059-F1101 AromaticContact CD2-CD1 3.88Å; F1059-F1101 HydrophobicContact CD2-CD1 3.88Å; F1059-F1101 AromaticContact CD2-CE1 3.53Å; F1059-F1101 HydrophobicContact CD2-CE1 3.53Å; F1059-F1101 HydrophobicContact CD2-CZ 4.49Å; F1059-F1101 HydrophobicContact CE2-CE1 4.43Å; F1059-F1101 HydrophobicContact CG-CE1 4.27Å; F1059-I1105 HydrophobicContact CD2-CD1 4.35Å; F1059-I1105 HydrophobicContact CE2-CD1 4.26Å; F1059-I1105 HydrophobicContact CE2-CG1 4.45Å; F1059-L1120 HydrophobicContact CD2-CD2 3.64Å; F1059-L1120 HydrophobicContact CE2-CD2 3.33Å; F1059-L1120 HydrophobicContact CG-CD2 4.45Å; F1059-L1120 HydrophobicContact CZ-CD2 3.93Å; F1059-I1123 HydrophobicContact CB-CD1 3.6Å; F1059-I1123 HydrophobicContact CD1-CD1 3.56Å; F1059-I1123 HydrophobicContact CD1-CG2 3.78Å; F1059-I1123 HydrophobicContact CD2-CD1 4.41Å; F1059-I1123 HydrophobicContact CE1-CD1 4.3Å; F1059-I1123 HydrophobicContact CE1-CG2 3.77Å; F1059-I1123 HydrophobicContact CG-CD1 3.59Å; F1059-I1130 HydrophobicContact CE2-CD1 4.46Å; F1059-I1130 HydrophobicContact CE2-CG1 4.49Å; F1059-I1130 HydrophobicContact CZ-CG1 4.46Å |
| 1060 | E | 65.4 | Low | 64.6 | Low | 24 Ų | 24 | 27.6 Ų | 27.6 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.2 | -40 | 177.8 | -71.6 | 170.2 | -169.3 | 0 | 0 | 111.9 | P952 K1056 L1057 N1062 I1063 C1064 | P952-E1060 WeakPolarHBondContact CA-OE1 3.48Å; P952-E1060 HydrophobicContact CB-CG 3.87Å; P952-E1060 VanDerWaalsContact CB-OE1 3.27Å; P952-E1060 WeakPolarHBondContact CB-OE1 3.49Å; K1056-E1060 WeakPolarHBondContact CE-OE1 3.22Å; K1056-E1060 WeakPolarHBondContact O-CG 3.19Å; K1056-E1060 PolarHBondContact O-N 2.93Å; L1057-E1060 PolarHBondContact O-N 2.96Å; E1060-N1062 PolarHBondContact O-N 3.03Å; E1060-I1063 PolarHBondContact O-N 3.26Å; E1060-C1064 WeakPolarHBondContact O-CB 3.34Å; E1060-C1064 PolarHBondContact O-N 3.39Å; E1060-C1064 PolarHBondContact O-SG 3.48Å |
| 1061 | I | 66.1 | Low | 64.3 | Low | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 174.4 | -70.7 | 169.4 | 0 | 0 | 0 | 111.7 | F1016 L1053 L1057 F1059 C1064 I1065 | F1016-I1061 HydrophobicContact CB-CB 4.31Å; F1016-I1061 HydrophobicContact CB-CG1 3.92Å; F1016-I1061 HydrophobicContact CB-CG2 4.24Å; F1016-I1061 HydrophobicContact CD1-CB 4.04Å; F1016-I1061 HydrophobicContact CD1-CD1 4.09Å; F1016-I1061 HydrophobicContact CD1-CG1 3.75Å; F1016-I1061 HydrophobicContact CD1-CG2 3.27Å; F1016-I1061 HydrophobicContact CD2-CD1 3.62Å; F1016-I1061 HydrophobicContact CD2-CG1 3.42Å; F1016-I1061 VanDerWaalsContact CD2-CG1 3.42Å; F1016-I1061 HydrophobicContact CE1-CB 4.45Å; F1016-I1061 HydrophobicContact CE1-CD1 3.82Å; F1016-I1061 HydrophobicContact CE1-CG1 4.03Å; F1016-I1061 HydrophobicContact CE1-CG2 3.6Å; F1016-I1061 HydrophobicContact CE2-CD1 3.42Å; F1016-I1061 VanDerWaalsContact CE2-CD1 3.42Å; F1016-I1061 HydrophobicContact CE2-CG1 3.81Å; F1016-I1061 HydrophobicContact CG-CB 4.09Å; F1016-I1061 HydrophobicContact CG-CD1 4.02Å; F1016-I1061 HydrophobicContact CG-CG1 3.45Å; F1016-I1061 VanDerWaalsContact CG-CG1 3.45Å; F1016-I1061 HydrophobicContact CG-CG2 3.83Å; F1016-I1061 HydrophobicContact CZ-CD1 3.53Å; F1016-I1061 HydrophobicContact CZ-CG1 4.1Å; F1016-I1061 HydrophobicContact CZ-CG2 4.44Å; L1053-I1061 HydrophobicContact CD2-CD1 3.9Å; L1057-I1061 HydrophobicContact CG-CD1 4.17Å; L1057-I1061 WeakPolarHBondContact O-CB 3.42Å; L1057-I1061 WeakPolarHBondContact O-CD1 3.19Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.39Å; L1057-I1061 PolarHBondContact O-N 3.31Å; F1059-I1061 VanDerWaalsContact C-N 3.26Å; F1059-I1061 PolarHBondContact O-N 2.81Å; I1061-C1064 PolarHBondContact O-N 3.03Å; I1061-I1065 HydrophobicContact CG2-CD1 4.01Å; I1061-I1065 VanDerWaalsContact O-CG1 3.32Å; I1061-I1065 WeakPolarHBondContact O-CG1 3.36Å; I1061-I1065 PolarHBondContact O-N 3.35Å; I1061-I1065 VanDerWaalsContact O-N 3.15Å |
| 1062 | N | 69 | Low | 63.5 | Low | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.2 | -39.3 | -178.4 | -76.5 | -75.8 | 0 | 0 | 0 | 112.1 | L1058 F1059 E1060 I1065 L1066 Y1087 L1102 I1105 | L1058-N1062 PolarHBondContact O-N 3.41Å; L1058-N1062 PolarHBondContact O-ND2 3.4Å; F1059-N1062 PolarHBondContact O-N 2.99Å; F1059-N1062 VanDerWaalsContact O-N 3.1Å; E1060-N1062 PolarHBondContact O-N 3.03Å; N1062-I1065 PolarHBondContact O-N 3.37Å; N1062-L1066 WeakPolarHBondContact O-CD1 3.36Å; N1062-L1066 WeakPolarHBondContact O-CG 3.4Å; N1062-L1066 PolarHBondContact O-N 3.06Å; N1062-L1066 VanDerWaalsContact O-N 3.1Å; N1062-Y1087 PolarHBondContact OD1-OH 3.04Å; N1062-L1102 WeakPolarHBondContact OD1-CD1 3.49Å; N1062-I1105 HydrophobicContact CB-CD1 3.67Å |
| 1063 | I | 66.8 | Low | 62.8 | Low | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 174.2 | -70.1 | -69.2 | 0 | 0 | 0 | 110.7 | F1059 E1060 I1065 L1066 L1067 I1105 L1129 I1133 | F1059-I1063 HydrophobicContact CD1-CG1 4.08Å; F1059-I1063 HydrophobicContact CD2-CG1 4.34Å; F1059-I1063 HydrophobicContact CE1-CD1 4.14Å; F1059-I1063 HydrophobicContact CE1-CG1 3.68Å; F1059-I1063 HydrophobicContact CE2-CD1 3.94Å; F1059-I1063 HydrophobicContact CE2-CG1 3.95Å; F1059-I1063 HydrophobicContact CG-CG1 4.44Å; F1059-I1063 HydrophobicContact CZ-CD1 3.62Å; F1059-I1063 HydrophobicContact CZ-CG1 3.63Å; F1059-I1063 WeakPolarHBondContact O-CG1 3.27Å; F1059-I1063 PolarHBondContact O-N 2.75Å; E1060-I1063 PolarHBondContact O-N 3.26Å; I1063-I1065 VanDerWaalsContact C-N 3.34Å; I1063-I1065 PolarHBondContact O-N 2.64Å; I1063-L1066 PolarHBondContact O-N 2.87Å; I1063-L1066 VanDerWaalsContact O-N 3.16Å; I1063-L1067 HydrophobicContact CG2-CD1 4.09Å; I1063-L1067 PolarHBondContact O-N 3.17Å; I1063-I1105 HydrophobicContact CD1-CD1 4.34Å; I1063-I1105 HydrophobicContact CD1-CG2 4.25Å; I1063-L1129 HydrophobicContact CD1-CB 4.14Å; I1063-L1129 HydrophobicContact CG2-CD2 4.05Å; I1063-I1133 HydrophobicContact CB-CD1 4.17Å; I1063-I1133 HydrophobicContact CD1-CD1 3.6Å; I1063-I1133 HydrophobicContact CG1-CD1 4.46Å; I1063-I1133 HydrophobicContact CG2-CD1 3.78Å |
| 1064 | C | 63 | Low | 62.2 | Low | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 178.9 | -77.1 | 0 | 0 | 0 | 0 | 112.7 | F1016 E1060 I1061 L1066 L1067 I1068 | F1016-C1064 VanDerWaalsContact O-CB 3.32Å; F1016-C1064 WeakPolarHBondContact O-CB 3.41Å; E1060-C1064 WeakPolarHBondContact O-CB 3.34Å; E1060-C1064 PolarHBondContact O-N 3.39Å; E1060-C1064 PolarHBondContact O-SG 3.48Å; I1061-C1064 PolarHBondContact O-N 3.03Å; C1064-L1066 VanDerWaalsContact C-N 3.31Å; C1064-L1066 PolarHBondContact O-N 3.1Å; C1064-L1067 WeakPolarHBondContact O-CB 3.38Å; C1064-L1067 PolarHBondContact O-N 3.37Å; C1064-I1068 PolarHBondContact O-N 3.38Å |
| 1065 | I | 64.6 | Low | 61.6 | Low | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.3 | -28.8 | 178 | -71.4 | 172.2 | 0 | 0 | 0 | 112.3 | I1061 N1062 I1063 I1068 Y1083 Y1087 F1148 | I1061-I1065 HydrophobicContact CG2-CD1 4.01Å; I1061-I1065 VanDerWaalsContact O-CG1 3.32Å; I1061-I1065 WeakPolarHBondContact O-CG1 3.36Å; I1061-I1065 PolarHBondContact O-N 3.35Å; I1061-I1065 VanDerWaalsContact O-N 3.15Å; N1062-I1065 PolarHBondContact O-N 3.37Å; I1063-I1065 VanDerWaalsContact C-N 3.34Å; I1063-I1065 PolarHBondContact O-N 2.64Å; I1065-I1068 WeakPolarHBondContact O-CB 3.19Å; I1065-I1068 PolarHBondContact O-N 3.1Å; I1065-Y1083 HydrophobicContact CD1-CD1 3.96Å; I1065-Y1083 HydrophobicContact CD1-CE1 3.93Å; I1065-Y1083 HydrophobicContact CG1-CD1 4.11Å; I1065-Y1083 HydrophobicContact CG1-CE1 3.71Å; I1065-Y1087 HydrophobicContact CD1-CD2 4.24Å; I1065-Y1087 HydrophobicContact CD1-CE2 3.34Å; I1065-F1148 HydrophobicContact CG2-CE1 3.77Å; I1065-F1148 HydrophobicContact CG2-CZ 3.74Å |
| 1066 | L | 65.2 | Low | 61.3 | Low | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80 | -26.8 | 176.1 | -74.6 | 163.6 | 0 | 0 | 0 | 112.5 | N1062 I1063 C1064 I1068 L1069 T1070 I1105 T1106 I1133 L1137 | N1062-L1066 WeakPolarHBondContact O-CD1 3.36Å; N1062-L1066 WeakPolarHBondContact O-CG 3.4Å; N1062-L1066 PolarHBondContact O-N 3.06Å; N1062-L1066 VanDerWaalsContact O-N 3.1Å; I1063-L1066 PolarHBondContact O-N 2.87Å; I1063-L1066 VanDerWaalsContact O-N 3.16Å; C1064-L1066 VanDerWaalsContact C-N 3.31Å; C1064-L1066 PolarHBondContact O-N 3.1Å; L1066-I1068 PolarHBondContact O-N 3.39Å; L1066-L1069 HydrophobicContact CD2-CD1 3.87Å; L1066-L1069 WeakPolarHBondContact O-CB 3.26Å; L1066-L1069 PolarHBondContact O-N 3.19Å; L1066-T1070 WeakPolarHBondContact O-CG2 3.32Å; L1066-I1105 HydrophobicContact CD1-CB 3.59Å; L1066-I1105 HydrophobicContact CD1-CD1 4.08Å; L1066-I1105 HydrophobicContact CD1-CG1 4.46Å; L1066-I1105 HydrophobicContact CD1-CG2 3.3Å; L1066-T1106 HydrophobicContact CD1-CG2 4.41Å; L1066-T1106 HydrophobicContact CD2-CG2 3.52Å; L1066-I1133 HydrophobicContact CB-CD1 3.99Å; L1066-I1133 HydrophobicContact CB-CG2 3.82Å; L1066-I1133 HydrophobicContact CD1-CG2 4.34Å; L1066-L1137 HydrophobicContact CD2-CD1 4.45Å |
| 1067 | L | 61.7 | Low | 61 | Low | 58 Ų | 58 | 38.7 Ų | 38.7 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.5 | -19.9 | 169.1 | -79.6 | 159 | 0 | 0 | 0 | 113.3 | I956 I1063 C1064 T1070 I1133 | I956-L1067 HydrophobicContact CD1-CD1 3.66Å; I956-L1067 HydrophobicContact CG1-CD1 4.47Å; I1063-L1067 HydrophobicContact CG2-CD1 4.09Å; I1063-L1067 PolarHBondContact O-N 3.17Å; C1064-L1067 WeakPolarHBondContact O-CB 3.38Å; C1064-L1067 PolarHBondContact O-N 3.37Å; L1067-T1070 PolarHBondContact O-OG1 2.94Å; L1067-I1133 HydrophobicContact CG-CD1 4.25Å; L1067-I1133 HydrophobicContact CG-CG1 4.39Å |
| 1068 | I | 60.4 | Low | 60.8 | Low | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 172.9 | -68.4 | -178.2 | 0 | 0 | 0 | 110.8 | I1019 C1064 I1065 L1066 T1070 K1071 P1075 Y1083 F1148 | I1019-I1068 HydrophobicContact CB-CD1 4.44Å; I1019-I1068 HydrophobicContact CB-CG1 3.9Å; I1019-I1068 HydrophobicContact CD1-CB 3.5Å; I1019-I1068 VanDerWaalsContact CD1-CB 3.5Å; I1019-I1068 HydrophobicContact CD1-CD1 3.91Å; I1019-I1068 HydrophobicContact CD1-CG1 3.41Å; I1019-I1068 VanDerWaalsContact CD1-CG1 3.41Å; I1019-I1068 HydrophobicContact CD1-CG2 3.14Å; I1019-I1068 HydrophobicContact CG1-CB 4.2Å; I1019-I1068 HydrophobicContact CG1-CD1 3.74Å; I1019-I1068 HydrophobicContact CG1-CG1 3.51Å; I1019-I1068 HydrophobicContact CG1-CG2 4.18Å; C1064-I1068 PolarHBondContact O-N 3.38Å; I1065-I1068 WeakPolarHBondContact O-CB 3.19Å; I1065-I1068 PolarHBondContact O-N 3.1Å; L1066-I1068 PolarHBondContact O-N 3.39Å; I1068-T1070 PolarHBondContact O-N 3.39Å; I1068-K1071 PolarHBondContact O-N 2.88Å; I1068-P1075 HydrophobicContact CG2-CG 4.36Å; I1068-Y1083 HydrophobicContact CD1-CE1 4.47Å; I1068-Y1083 HydrophobicContact CD1-CE2 3.6Å; I1068-Y1083 VanDerWaalsContact CD1-OH 3.22Å; I1068-Y1083 WeakPolarHBondContact CD1-OH 3.34Å; I1068-F1148 HydrophobicContact CG2-CE2 3.95Å; I1068-F1148 HydrophobicContact CG2-CZ 4.26Å |
| 1069 | L | 58.2 | Low | 60.7 | Low | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -29.9 | 178.3 | -93 | 161.1 | 0 | 0 | 0 | 112.6 | L1066 K1071 L1137 T1140 F1148 | L1066-L1069 HydrophobicContact CD2-CD1 3.87Å; L1066-L1069 WeakPolarHBondContact O-CB 3.26Å; L1066-L1069 PolarHBondContact O-N 3.19Å; L1069-K1071 VanDerWaalsContact C-N 3.31Å; L1069-K1071 PolarHBondContact O-N 3.44Å; L1069-L1137 HydrophobicContact CB-CD2 4.22Å; L1069-L1137 HydrophobicContact CD1-CD2 4.46Å; L1069-T1140 WeakPolarHBondContact O-CG2 3.39Å; L1069-F1148 HydrophobicContact CD1-CB 4.42Å; L1069-F1148 HydrophobicContact CD1-CD1 3.29Å; L1069-F1148 HydrophobicContact CD1-CE1 3.51Å; L1069-F1148 HydrophobicContact CD1-CG 3.87Å; L1069-F1148 HydrophobicContact CD1-CZ 4.26Å; L1069-F1148 HydrophobicContact CD2-CB 3.62Å; L1069-F1148 HydrophobicContact CD2-CD1 4Å; L1069-F1148 HydrophobicContact CD2-CD2 4.07Å; L1069-F1148 HydrophobicContact CD2-CG 3.63Å; L1069-F1148 HydrophobicContact CG-CB 4.24Å; L1069-F1148 HydrophobicContact CG-CD1 3.64Å; L1069-F1148 HydrophobicContact CG-CD2 4.02Å; L1069-F1148 HydrophobicContact CG-CE1 3.86Å; L1069-F1148 HydrophobicContact CG-CE2 4.25Å; L1069-F1148 HydrophobicContact CG-CG 3.7Å; L1069-F1148 HydrophobicContact CG-CZ 4.15Å |
| 1070 | T | 57.8 | Low | 60.4 | Low | 36 Ų | 36 | 46.2 Ų | 46.2 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -8.7 | -173.6 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | L1066 L1067 I1068 G1072 C1136 L1137 | L1066-T1070 WeakPolarHBondContact O-CG2 3.32Å; L1067-T1070 PolarHBondContact O-OG1 2.94Å; I1068-T1070 PolarHBondContact O-N 3.39Å; T1070-G1072 VanDerWaalsContact C-N 3.28Å; T1070-G1072 PolarHBondContact O-N 3.09Å; T1070-C1136 HydrophobicContact CG2-CB 3.23Å; T1070-L1137 HydrophobicContact CG2-CG 4.47Å |
| 1071 | K | 56 | Low | 60.5 | Low | 125 Ų | 125 | 49.5 Ų | 49.5 | 54% | 0.543 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6.5 | 177.4 | -85.5 | -158.7 | -179.3 | 175 | 0 | 114.8 | I1019 I1068 L1069 V1073 | I1019-K1071 HydrophobicContact CG2-CD 3.51Å; I1019-K1071 HydrophobicContact CG2-CG 4.36Å; I1019-K1071 PolarHBondContact O-NZ 3.25Å; I1068-K1071 PolarHBondContact O-N 2.88Å; L1069-K1071 VanDerWaalsContact C-N 3.31Å; L1069-K1071 PolarHBondContact O-N 3.44Å; K1071-V1073 PolarHBondContact O-N 3.45Å |
| 1072 | G | 47.5 | Very low | 60.6 | Low | 53 Ų | 53 | 51.2 Ų | 51.2 | 55% | 0.546 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 68.8 | 2.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1070 | T1070-G1072 VanDerWaalsContact C-N 3.28Å; T1070-G1072 PolarHBondContact O-N 3.09Å |
| 1073 | V | 47.8 | Very low | 60.5 | Low | 107 Ų | 107 | 51.2 Ų | 51.2 | 65% | 0.648 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -109.8 | 127.9 | 174.2 | -175 | 0 | 0 | 0 | 0 | 107.7 | K1071 P1075 | K1071-V1073 PolarHBondContact O-N 3.45Å; V1073-P1075 WeakPolarHBondContact O-CD 3.44Å |
| 1074 | P | 51.5 | Low | 60.6 | Low | 106 Ų | 106 | 51.4 Ų | 51.4 | 69% | 0.688 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 124.8 | 175.7 | 22.2 | -30.3 | 0 | 0 | 0 | 109 | ||
| 1075 | P | 54.9 | Low | 60.9 | Low | 22 Ų | 22 | 54.9 Ų | 54.9 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 149.8 | 179.5 | 18 | -25.9 | 0 | 0 | 0 | 110.6 | I1068 V1073 E1077 L1079 L1080 F1148 | I1068-P1075 HydrophobicContact CG2-CG 4.36Å; V1073-P1075 WeakPolarHBondContact O-CD 3.44Å; P1075-E1077 PolarHBondContact O-N 3.44Å; P1075-L1079 HydrophobicContact CB-CB 4.38Å; P1075-L1079 HydrophobicContact CB-CD2 3.47Å; P1075-L1079 VanDerWaalsContact CB-CD2 3.47Å; P1075-L1079 HydrophobicContact CB-CG 4.45Å; P1075-L1080 HydrophobicContact CB-CG 4.48Å; P1075-L1080 HydrophobicContact CG-CD1 3.93Å; P1075-L1080 HydrophobicContact CG-CD2 4.29Å; P1075-L1080 HydrophobicContact CG-CG 3.94Å; P1075-F1148 HydrophobicContact CG-CD2 4.18Å; P1075-F1148 HydrophobicContact CG-CE2 4.15Å |
| 1076 | P | 60.1 | Low | 61.2 | Low | 88 Ų | 88 | 54.9 Ų | 54.9 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 139.6 | 176.7 | -22.5 | 30.4 | 0 | 0 | 0 | 110.8 | K1078 L1079 L1080 | P1076-K1078 PolarHBondContact O-N 3.41Å; P1076-K1078 VanDerWaalsContact O-N 3.11Å; P1076-L1079 HydrophobicContact CB-CB 4.35Å; P1076-L1079 WeakPolarHBondContact O-CA 3.19Å; P1076-L1079 VanDerWaalsContact O-CB 3.22Å; P1076-L1079 WeakPolarHBondContact O-CB 3.35Å; P1076-L1079 PolarHBondContact O-N 2.96Å; P1076-L1080 PolarHBondContact O-N 2.94Å |
| 1077 | E | 61.4 | Low | 61.4 | Low | 140 Ų | 140 | 55 Ų | 55 | 65% | 0.654 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -55.5 | -35 | -178.4 | -167.9 | 175 | -165 | 0 | 0 | 112.1 | P1075 L1079 L1080 I1081 | P1075-E1077 PolarHBondContact O-N 3.44Å; E1077-L1079 PolarHBondContact O-N 3.44Å; E1077-L1080 WeakPolarHBondContact O-CB 3.41Å; E1077-L1080 PolarHBondContact O-N 3.41Å; E1077-I1081 HydrophobicContact CG-CD1 4.29Å; E1077-I1081 VanDerWaalsContact O-CG1 3.3Å; E1077-I1081 WeakPolarHBondContact O-CG1 2.96Å; E1077-I1081 PolarHBondContact O-N 3Å |
| 1078 | K | 61.6 | Low | 61.8 | Low | 150 Ų | 150 | 54 Ų | 54 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 171 | -79.1 | -176.2 | 174.7 | -178.9 | 0 | 113.6 | W1024 P1076 I1081 K1082 | W1024-K1078 HydrophobicContact CZ2-CB 4.35Å; P1076-K1078 PolarHBondContact O-N 3.41Å; P1076-K1078 VanDerWaalsContact O-N 3.11Å; K1078-I1081 PolarHBondContact O-N 3.34Å; K1078-K1082 WeakPolarHBondContact O-CB 3.41Å; K1078-K1082 WeakPolarHBondContact O-CG 3.5Å; K1078-K1082 PolarHBondContact O-N 2.9Å |
| 1079 | L | 65.3 | Low | 62.2 | Low | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.9 | -170.2 | 79.9 | 0 | 0 | 0 | 110 | I1019 W1024 V1027 P1075 P1076 E1077 I1081 K1082 Y1083 | I1019-L1079 HydrophobicContact CD1-CD2 3.89Å; I1019-L1079 HydrophobicContact CG1-CD2 4.04Å; W1024-L1079 HydrophobicContact CE3-CD1 4.29Å; W1024-L1079 HydrophobicContact CH2-CB 4.48Å; W1024-L1079 HydrophobicContact CH2-CD1 3.96Å; W1024-L1079 HydrophobicContact CZ3-CB 4.42Å; W1024-L1079 HydrophobicContact CZ3-CD1 3.33Å; W1024-L1079 HydrophobicContact CZ3-CG 4.47Å; V1027-L1079 HydrophobicContact CG1-CD1 4.46Å; P1075-L1079 HydrophobicContact CB-CB 4.38Å; P1075-L1079 HydrophobicContact CB-CD2 3.47Å; P1075-L1079 VanDerWaalsContact CB-CD2 3.47Å; P1075-L1079 HydrophobicContact CB-CG 4.45Å; P1076-L1079 HydrophobicContact CB-CB 4.35Å; P1076-L1079 WeakPolarHBondContact O-CA 3.19Å; P1076-L1079 VanDerWaalsContact O-CB 3.22Å; P1076-L1079 WeakPolarHBondContact O-CB 3.35Å; P1076-L1079 PolarHBondContact O-N 2.96Å; E1077-L1079 PolarHBondContact O-N 3.44Å; L1079-I1081 PolarHBondContact O-N 3.43Å; L1079-K1082 PolarHBondContact O-N 3.33Å; L1079-Y1083 HydrophobicContact CD1-CD2 4.21Å; L1079-Y1083 HydrophobicContact CD1-CE2 3.84Å; L1079-Y1083 HydrophobicContact CD2-CD2 4.34Å; L1079-Y1083 HydrophobicContact CD2-CE2 4.1Å; L1079-Y1083 HydrophobicContact CG-CD2 3.8Å; L1079-Y1083 HydrophobicContact CG-CE2 3.8Å; L1079-Y1083 WeakPolarHBondContact O-CD2 3.07Å; L1079-Y1083 PolarHBondContact O-N 3.2Å |
| 1080 | L | 65.1 | Low | 62.7 | Low | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 176.6 | -81.1 | 151.5 | 0 | 0 | 0 | 111.9 | P1075 P1076 E1077 A1084 F1148 M1151 V1152 | P1075-L1080 HydrophobicContact CB-CG 4.48Å; P1075-L1080 HydrophobicContact CG-CD1 3.93Å; P1075-L1080 HydrophobicContact CG-CD2 4.29Å; P1075-L1080 HydrophobicContact CG-CG 3.94Å; P1076-L1080 PolarHBondContact O-N 2.94Å; E1077-L1080 WeakPolarHBondContact O-CB 3.41Å; E1077-L1080 PolarHBondContact O-N 3.41Å; L1080-A1084 WeakPolarHBondContact O-CB 3.46Å; L1080-A1084 PolarHBondContact O-N 3.18Å; L1080-F1148 HydrophobicContact CD2-CD2 3.78Å; L1080-F1148 HydrophobicContact CD2-CE2 4.09Å; L1080-M1151 HydrophobicContact CD1-SD 3.66Å; L1080-M1151 HydrophobicContact CD2-CB 3.78Å; L1080-M1151 HydrophobicContact CD2-SD 4.15Å; L1080-M1151 HydrophobicContact CG-SD 4.34Å; L1080-V1152 HydrophobicContact CD2-CG2 3.92Å |
| 1081 | I | 66.1 | Low | 63.2 | Low | 92 Ų | 92 | 53 Ų | 53 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 175.9 | -68 | 164.4 | 0 | 0 | 0 | 111.1 | E1077 K1078 L1079 A1084 E1085 | E1077-I1081 HydrophobicContact CG-CD1 4.29Å; E1077-I1081 VanDerWaalsContact O-CG1 3.3Å; E1077-I1081 WeakPolarHBondContact O-CG1 2.96Å; E1077-I1081 PolarHBondContact O-N 3Å; K1078-I1081 PolarHBondContact O-N 3.34Å; L1079-I1081 PolarHBondContact O-N 3.43Å; I1081-A1084 WeakPolarHBondContact O-CB 3.38Å; I1081-A1084 PolarHBondContact O-N 3.19Å; I1081-E1085 PolarHBondContact O-N 3.12Å |
| 1082 | K | 67.9 | Low | 63.7 | Low | 40 Ų | 40 | 52 Ų | 52 | 17% | 0.174 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | -179.7 | -75 | -75.6 | 163.4 | -152.5 | 0 | 113 | W1024 I1031 K1078 L1079 A1084 E1085 L1086 | W1024-K1082 HydrophobicContact CH2-CG 4.23Å; W1024-K1082 HydrophobicContact CZ2-CG 4.4Å; I1031-K1082 HydrophobicContact CD1-CB 4.08Å; I1031-K1082 HydrophobicContact CG2-CB 4.28Å; I1031-K1082 HydrophobicContact CG2-CD 4.37Å; K1078-K1082 WeakPolarHBondContact O-CB 3.41Å; K1078-K1082 WeakPolarHBondContact O-CG 3.5Å; K1078-K1082 PolarHBondContact O-N 2.9Å; L1079-K1082 PolarHBondContact O-N 3.33Å; K1082-A1084 VanDerWaalsContact C-N 3.28Å; K1082-A1084 PolarHBondContact O-N 3.3Å; K1082-E1085 WeakPolarHBondContact CD-OE2 3.47Å; K1082-E1085 IonicContact NZ-OE1 2.82Å; K1082-E1085 IonicContact NZ-OE2 3.71Å; K1082-E1085 PolarHBondContact NZ-OE2 3.18Å; K1082-E1085 WeakPolarHBondContact O-CB 3.09Å; K1082-E1085 PolarHBondContact O-N 3.35Å; K1082-L1086 PolarHBondContact O-N 3.21Å |
| 1083 | Y | 69 | Low | 64.6 | Low | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -33.3 | 170.9 | -89.3 | -69.5 | 0 | 0 | 0 | 112.5 | A1015 F1016 G1018 I1065 I1068 L1079 L1086 Y1087 | A1015-Y1083 PolarHBondContact O-OH 3.48Å; F1016-Y1083 PolarHBondContact O-OH 3.14Å; G1018-Y1083 WeakPolarHBondContact CA-OH 3.31Å; G1018-Y1083 PolarHBondContact N-OH 3.44Å; I1065-Y1083 HydrophobicContact CD1-CD1 3.96Å; I1065-Y1083 HydrophobicContact CD1-CE1 3.93Å; I1065-Y1083 HydrophobicContact CG1-CD1 4.11Å; I1065-Y1083 HydrophobicContact CG1-CE1 3.71Å; I1068-Y1083 HydrophobicContact CD1-CE1 4.47Å; I1068-Y1083 HydrophobicContact CD1-CE2 3.6Å; I1068-Y1083 VanDerWaalsContact CD1-OH 3.22Å; I1068-Y1083 WeakPolarHBondContact CD1-OH 3.34Å; L1079-Y1083 HydrophobicContact CD1-CD2 4.21Å; L1079-Y1083 HydrophobicContact CD1-CE2 3.84Å; L1079-Y1083 HydrophobicContact CD2-CD2 4.34Å; L1079-Y1083 HydrophobicContact CD2-CE2 4.1Å; L1079-Y1083 HydrophobicContact CG-CD2 3.8Å; L1079-Y1083 HydrophobicContact CG-CE2 3.8Å; L1079-Y1083 WeakPolarHBondContact O-CD2 3.07Å; L1079-Y1083 PolarHBondContact O-N 3.2Å; Y1083-L1086 HydrophobicContact CD1-CD2 3.98Å; Y1083-L1086 HydrophobicContact CE1-CD2 4.15Å; Y1083-L1086 PolarHBondContact O-N 2.84Å; Y1083-Y1087 WeakPolarHBondContact O-CB 3.42Å; Y1083-Y1087 PolarHBondContact O-N 2.95Å |
| 1084 | A | 67.3 | Low | 65.5 | Low | 7 Ų | 7 | 46.7 Ų | 46.7 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.3 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1080 I1081 K1082 Y1087 C1088 P1155 | L1080-A1084 WeakPolarHBondContact O-CB 3.46Å; L1080-A1084 PolarHBondContact O-N 3.18Å; I1081-A1084 WeakPolarHBondContact O-CB 3.38Å; I1081-A1084 PolarHBondContact O-N 3.19Å; K1082-A1084 VanDerWaalsContact C-N 3.28Å; K1082-A1084 PolarHBondContact O-N 3.3Å; A1084-Y1087 PolarHBondContact O-N 2.63Å; A1084-C1088 WeakPolarHBondContact O-CB 3.31Å; A1084-C1088 PolarHBondContact O-N 3.44Å; A1084-P1155 HydrophobicContact CB-CG 3.51Å |
| 1085 | E | 69.8 | Low | 65.8 | Low | 83 Ų | 83 | 46 Ų | 46 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 170.7 | -74.3 | 175.4 | 175.5 | 0 | 0 | 111.8 | I1081 K1082 Y1087 C1088 C1089 | I1081-E1085 PolarHBondContact O-N 3.12Å; K1082-E1085 WeakPolarHBondContact CD-OE2 3.47Å; K1082-E1085 IonicContact NZ-OE1 2.82Å; K1082-E1085 IonicContact NZ-OE2 3.71Å; K1082-E1085 PolarHBondContact NZ-OE2 3.18Å; K1082-E1085 WeakPolarHBondContact O-CB 3.09Å; K1082-E1085 PolarHBondContact O-N 3.35Å; E1085-Y1087 PolarHBondContact O-N 3.3Å; E1085-C1088 VanDerWaalsContact O-CB 3.28Å; E1085-C1088 WeakPolarHBondContact O-CB 3.48Å; E1085-C1088 PolarHBondContact O-N 2.92Å; E1085-C1088 VanDerWaalsContact O-N 3.14Å; E1085-C1089 PolarHBondContact O-N 2.83Å; E1085-C1089 PolarHBondContact O-SG 3.48Å |
| 1086 | L | 71.1 | Confident | 66.1 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 178.5 | -171.8 | 71.3 | 0 | 0 | 0 | 111.9 | F1016 A1034 L1038 K1082 Y1083 C1088 C1089 L1090 | F1016-L1086 HydrophobicContact CD1-CD2 3.35Å; F1016-L1086 HydrophobicContact CD1-CG 4.23Å; F1016-L1086 HydrophobicContact CE1-CD1 3.88Å; F1016-L1086 HydrophobicContact CE1-CD2 3.18Å; F1016-L1086 HydrophobicContact CE1-CG 3.54Å; F1016-L1086 HydrophobicContact CG-CD2 4.37Å; F1016-L1086 HydrophobicContact CZ-CD1 3.96Å; F1016-L1086 HydrophobicContact CZ-CD2 4.04Å; F1016-L1086 HydrophobicContact CZ-CG 4.13Å; A1034-L1086 HydrophobicContact CB-CD1 3.66Å; L1038-L1086 HydrophobicContact CD1-CD1 3.93Å; K1082-L1086 PolarHBondContact O-N 3.21Å; Y1083-L1086 HydrophobicContact CD1-CD2 3.98Å; Y1083-L1086 HydrophobicContact CE1-CD2 4.15Å; Y1083-L1086 PolarHBondContact O-N 2.84Å; L1086-C1088 VanDerWaalsContact C-N 3.3Å; L1086-C1088 PolarHBondContact O-N 3.24Å; L1086-C1089 PolarHBondContact O-N 3.06Å; L1086-L1090 PolarHBondContact O-N 3.38Å |
| 1087 | Y | 69.6 | Low | 66.3 | Low | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -34.3 | 174.2 | -104.9 | -112.5 | 0 | 0 | 0 | 112.6 | N1062 I1065 Y1083 A1084 E1085 L1090 A1091 Q1098 F1099 L1102 V1152 | N1062-Y1087 PolarHBondContact OD1-OH 3.04Å; I1065-Y1087 HydrophobicContact CD1-CD2 4.24Å; I1065-Y1087 HydrophobicContact CD1-CE2 3.34Å; Y1083-Y1087 WeakPolarHBondContact O-CB 3.42Å; Y1083-Y1087 PolarHBondContact O-N 2.95Å; A1084-Y1087 PolarHBondContact O-N 2.63Å; E1085-Y1087 PolarHBondContact O-N 3.3Å; Y1087-L1090 PolarHBondContact O-N 3.03Å; Y1087-A1091 VanDerWaalsContact O-CB 3.23Å; Y1087-A1091 WeakPolarHBondContact O-CB 3.42Å; Y1087-A1091 PolarHBondContact O-N 3.16Å; Y1087-Q1098 HydrophobicContact CE1-CB 4.34Å; Y1087-Q1098 HydrophobicContact CE1-CG 4.22Å; Y1087-F1099 HydrophobicContact CD1-CE1 4.02Å; Y1087-F1099 HydrophobicContact CD1-CZ 4.43Å; Y1087-F1099 HydrophobicContact CE1-CE1 4.29Å; Y1087-L1102 HydrophobicContact CE1-CD1 4.29Å; Y1087-L1102 WeakPolarHBondContact OH-CD1 3.36Å; Y1087-V1152 HydrophobicContact CD1-CG1 4.07Å; Y1087-V1152 HydrophobicContact CD2-CG1 3.84Å; Y1087-V1152 HydrophobicContact CE1-CG1 4.45Å; Y1087-V1152 HydrophobicContact CE2-CG1 4.31Å; Y1087-V1152 HydrophobicContact CG-CG1 3.73Å |
| 1088 | C | 69.3 | Low | 66.5 | Low | 36 Ų | 36 | 40.1 Ų | 40.1 | 24% | 0.243 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 174.4 | -136.1 | 0 | 0 | 0 | 0 | 111 | A1084 E1085 L1086 A1091 N1092 P1155 | A1084-C1088 WeakPolarHBondContact O-CB 3.31Å; A1084-C1088 PolarHBondContact O-N 3.44Å; E1085-C1088 VanDerWaalsContact O-CB 3.28Å; E1085-C1088 WeakPolarHBondContact O-CB 3.48Å; E1085-C1088 PolarHBondContact O-N 2.92Å; E1085-C1088 VanDerWaalsContact O-N 3.14Å; L1086-C1088 VanDerWaalsContact C-N 3.3Å; L1086-C1088 PolarHBondContact O-N 3.24Å; C1088-A1091 PolarHBondContact O-N 3.2Å; C1088-N1092 PolarHBondContact O-N 3.5Å; C1088-P1155 HydrophobicContact CB-CB 4.25Å; C1088-P1155 VanDerWaalsContact SG-CB 3.52Å |
| 1089 | C | 69.6 | Low | 66.6 | Low | 19 Ų | 19 | 34.8 Ų | 34.8 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | L1038 E1085 L1086 A1091 N1092 | L1038-C1089 HydrophobicContact CB-CB 3.77Å; L1038-C1089 HydrophobicContact CD1-CB 3.79Å; L1038-C1089 HydrophobicContact CG-CB 4.39Å; E1085-C1089 PolarHBondContact O-N 2.83Å; E1085-C1089 PolarHBondContact O-SG 3.48Å; L1086-C1089 PolarHBondContact O-N 3.06Å; C1089-A1091 VanDerWaalsContact C-N 3.31Å; C1089-A1091 PolarHBondContact O-N 3.37Å; C1089-N1092 WeakPolarHBondContact O-CB 3.24Å; C1089-N1092 PolarHBondContact O-N 3.39Å |
| 1090 | L | 69.2 | Low | 66.6 | Low | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -36.3 | 173.3 | -92 | 155.7 | 0 | 0 | 0 | 112.9 | F1016 L1038 L1053 L1058 L1086 Y1087 N1092 L1093 F1094 Q1098 | F1016-L1090 HydrophobicContact CE1-CD1 3.69Å; F1016-L1090 HydrophobicContact CZ-CD1 4.08Å; L1038-L1090 HydrophobicContact CD1-CG 4.16Å; L1038-L1090 HydrophobicContact CD2-CD2 4.41Å; L1038-L1090 HydrophobicContact CD2-CG 4.28Å; L1053-L1090 HydrophobicContact CD2-CD2 4.27Å; L1058-L1090 HydrophobicContact CD1-CD2 3.71Å; L1086-L1090 PolarHBondContact O-N 3.38Å; Y1087-L1090 PolarHBondContact O-N 3.03Å; L1090-N1092 VanDerWaalsContact C-N 3.26Å; L1090-N1092 PolarHBondContact O-N 3.18Å; L1090-L1093 PolarHBondContact O-N 3.42Å; L1090-F1094 PolarHBondContact O-N 3.36Å; L1090-Q1098 PolarHBondContact O-NE2 2.82Å |
| 1091 | A | 66.5 | Low | 66.7 | Low | 17 Ų | 17 | 36.7 Ų | 36.7 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -27.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1087 C1088 C1089 Q1098 F1099 | Y1087-A1091 VanDerWaalsContact O-CB 3.23Å; Y1087-A1091 WeakPolarHBondContact O-CB 3.42Å; Y1087-A1091 PolarHBondContact O-N 3.16Å; C1088-A1091 PolarHBondContact O-N 3.2Å; C1089-A1091 VanDerWaalsContact C-N 3.31Å; C1089-A1091 PolarHBondContact O-N 3.37Å; A1091-Q1098 VanDerWaalsContact N-NE2 3.18Å; A1091-F1099 HydrophobicContact CB-CE2 4.44Å |
| 1092 | N | 68.2 | Low | 66.7 | Low | 103 Ų | 103 | 32.9 Ų | 32.9 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -72 | -33.3 | 175 | -63.6 | -24.9 | 0 | 0 | 0 | 112.5 | T1042 C1088 C1089 L1090 | T1042-N1092 HydrophobicContact CG2-CB 3.64Å; C1088-N1092 PolarHBondContact O-N 3.5Å; C1089-N1092 WeakPolarHBondContact O-CB 3.24Å; C1089-N1092 PolarHBondContact O-N 3.39Å; L1090-N1092 VanDerWaalsContact C-N 3.26Å; L1090-N1092 PolarHBondContact O-N 3.18Å |
| 1093 | L | 64.9 | Low | 66.5 | Low | 28 Ų | 28 | 32.7 Ų | 32.7 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -87.3 | -43.9 | -178.1 | -86.7 | 160.6 | 0 | 0 | 0 | 113.4 | L1038 L1041 P1049 L1090 | L1038-L1093 HydrophobicContact CB-CD1 4.27Å; L1038-L1093 HydrophobicContact CD2-CD1 3.51Å; L1041-L1093 HydrophobicContact CB-CD1 4.08Å; L1041-L1093 HydrophobicContact CB-CD2 4.35Å; P1049-L1093 HydrophobicContact CB-CD2 3.51Å; P1049-L1093 HydrophobicContact CG-CD2 3.36Å; L1090-L1093 PolarHBondContact O-N 3.42Å |
| 1094 | F | 67.2 | Low | 66.6 | Low | 22 Ų | 22 | 34.8 Ų | 34.8 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -128.1 | 74.4 | -178.5 | -58.6 | -70.5 | 0 | 0 | 0 | 111.6 | P1049 L1053 L1058 L1090 C1096 K1097 Q1098 | P1049-F1094 HydrophobicContact CB-CZ 4.4Å; L1053-F1094 HydrophobicContact CB-CE2 3.95Å; L1053-F1094 HydrophobicContact CB-CZ 4.43Å; L1058-F1094 HydrophobicContact CD1-CD2 4.11Å; L1058-F1094 HydrophobicContact CD1-CE2 4.38Å; L1090-F1094 PolarHBondContact O-N 3.36Å; F1094-C1096 PolarHBondContact O-N 2.78Å; F1094-K1097 HydrophobicContact CB-CB 3.96Å; F1094-K1097 HydrophobicContact CB-CD 4.25Å; F1094-K1097 HydrophobicContact CB-CG 4.06Å; F1094-K1097 HydrophobicContact CD1-CD 4.01Å; F1094-K1097 HydrophobicContact CG-CD 4.34Å; F1094-K1097 PolarHBondContact O-N 3.11Å; F1094-Q1098 VanDerWaalsContact O-CD 3.32Å; F1094-Q1098 PolarHBondContact O-NE2 3.38Å; F1094-Q1098 PolarHBondContact O-OE1 2.94Å |
| 1095 | P | 57.7 | Low | 66.5 | Low | 92 Ų | 92 | 34.5 Ų | 34.5 | 60% | 0.597 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.1 | 178.9 | -13.9 | 24.7 | 0 | 0 | 0 | 109.4 | K1097 | P1095-K1097 VanDerWaalsContact C-N 3.34Å; P1095-K1097 PolarHBondContact O-N 3.06Å |
| 1096 | C | 60.6 | Low | 66.1 | Low | 80 Ų | 80 | 32 Ų | 32 | 54% | 0.541 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -24.6 | 179.7 | -51.7 | 0 | 0 | 0 | 0 | 117.8 | F1094 F1099 I1100 | F1094-C1096 PolarHBondContact O-N 2.78Å; C1096-F1099 PolarHBondContact O-N 3.15Å; C1096-I1100 HydrophobicContact CB-CD1 4.33Å; C1096-I1100 WeakPolarHBondContact O-CD1 3.44Å; C1096-I1100 VanDerWaalsContact O-CG1 3.24Å; C1096-I1100 WeakPolarHBondContact O-CG1 3.36Å; C1096-I1100 PolarHBondContact O-N 2.75Å |
| 1097 | K | 64.2 | Low | 65.7 | Low | 45 Ų | 45 | 34.5 Ų | 34.5 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -53.8 | -175.7 | -70.4 | -154.3 | 167.6 | 179.9 | 0 | 113.4 | D1055 L1058 F1094 P1095 F1099 I1100 F1101 Y1116 | D1055-K1097 IonicContact OD1-NZ 2.79Å; D1055-K1097 PolarHBondContact OD1-NZ 3.28Å; L1058-K1097 HydrophobicContact CD2-CB 4.11Å; F1094-K1097 HydrophobicContact CB-CB 3.96Å; F1094-K1097 HydrophobicContact CB-CD 4.25Å; F1094-K1097 HydrophobicContact CB-CG 4.06Å; F1094-K1097 HydrophobicContact CD1-CD 4.01Å; F1094-K1097 HydrophobicContact CG-CD 4.34Å; F1094-K1097 PolarHBondContact O-N 3.11Å; P1095-K1097 VanDerWaalsContact C-N 3.34Å; P1095-K1097 PolarHBondContact O-N 3.06Å; K1097-F1099 VanDerWaalsContact C-N 3.27Å; K1097-F1099 PolarHBondContact O-N 3.38Å; K1097-I1100 PolarHBondContact O-N 2.93Å; K1097-F1101 PolarHBondContact O-N 3.37Å; K1097-Y1116 HydrophobicContact CD-CE1 4.48Å; K1097-Y1116 WeakPolarHBondContact CD-OH 3.5Å; K1097-Y1116 WeakPolarHBondContact CE-OH 3.46Å; K1097-Y1116 WeakPolarHBondContact CG-OH 3.48Å |
| 1098 | Q | 65.6 | Low | 64.9 | Low | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -36.3 | 178.3 | 46.8 | -88.6 | 5 | 0 | 0 | 112.5 | Y1087 L1090 A1091 F1094 F1101 L1102 | Y1087-Q1098 HydrophobicContact CE1-CB 4.34Å; Y1087-Q1098 HydrophobicContact CE1-CG 4.22Å; L1090-Q1098 PolarHBondContact O-NE2 2.82Å; A1091-Q1098 VanDerWaalsContact N-NE2 3.18Å; F1094-Q1098 VanDerWaalsContact O-CD 3.32Å; F1094-Q1098 PolarHBondContact O-NE2 3.38Å; F1094-Q1098 PolarHBondContact O-OE1 2.94Å; Q1098-F1101 PolarHBondContact O-N 3.25Å; Q1098-L1102 VanDerWaalsContact O-CB 3.31Å; Q1098-L1102 WeakPolarHBondContact O-CB 3.31Å; Q1098-L1102 PolarHBondContact O-N 3.32Å |
| 1099 | F | 64.3 | Low | 64.5 | Low | 38 Ų | 38 | 39.7 Ų | 39.7 | 17% | 0.167 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.5 | -36.3 | 179.1 | -59.6 | -63.4 | 0 | 0 | 0 | 112.2 | Y1087 A1091 C1096 K1097 S1103 T1153 S1156 L1157 | Y1087-F1099 HydrophobicContact CD1-CE1 4.02Å; Y1087-F1099 HydrophobicContact CD1-CZ 4.43Å; Y1087-F1099 HydrophobicContact CE1-CE1 4.29Å; A1091-F1099 HydrophobicContact CB-CE2 4.44Å; C1096-F1099 PolarHBondContact O-N 3.15Å; K1097-F1099 VanDerWaalsContact C-N 3.27Å; K1097-F1099 PolarHBondContact O-N 3.38Å; F1099-S1103 VanDerWaalsContact O-CB 3.23Å; F1099-S1103 WeakPolarHBondContact O-CB 3.35Å; F1099-S1103 PolarHBondContact O-N 3.34Å; F1099-S1103 PolarHBondContact O-OG 3.05Å; F1099-T1153 HydrophobicContact CD1-CG2 4.01Å; F1099-T1153 HydrophobicContact CE1-CG2 3.51Å; F1099-S1156 WeakPolarHBondContact CZ-OG 3.22Å; F1099-L1157 HydrophobicContact CD1-CD1 4.42Å; F1099-L1157 HydrophobicContact CE1-CD1 4.09Å; F1099-L1157 HydrophobicContact CE2-CD1 4.27Å; F1099-L1157 HydrophobicContact CZ-CD1 4.01Å |
| 1100 | I | 65.6 | Low | 64 | Low | 60 Ų | 60 | 48.2 Ų | 48.2 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 173.7 | -69.5 | 164.4 | 0 | 0 | 0 | 110.2 | C1096 K1097 S1103 F1104 I1112 | C1096-I1100 HydrophobicContact CB-CD1 4.33Å; C1096-I1100 WeakPolarHBondContact O-CD1 3.44Å; C1096-I1100 VanDerWaalsContact O-CG1 3.24Å; C1096-I1100 WeakPolarHBondContact O-CG1 3.36Å; C1096-I1100 PolarHBondContact O-N 2.75Å; K1097-I1100 PolarHBondContact O-N 2.93Å; I1100-S1103 PolarHBondContact O-N 2.76Å; I1100-F1104 WeakPolarHBondContact O-CB 3.43Å; I1100-F1104 PolarHBondContact O-N 3.45Å; I1100-I1112 HydrophobicContact CG2-CG2 3.41Å; I1100-I1112 VanDerWaalsContact CG2-CG2 3.41Å |
| 1101 | F | 67.2 | Low | 63.3 | Low | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 176.1 | -103.5 | -70.2 | 0 | 0 | 0 | 112.2 | L1058 F1059 K1097 Q1098 S1103 F1104 I1105 Y1116 L1120 | L1058-F1101 HydrophobicContact CD2-CD2 4.39Å; F1059-F1101 HydrophobicContact CB-CE1 4.11Å; F1059-F1101 HydrophobicContact CB-CZ 4.33Å; F1059-F1101 AromaticContact CD2-CD1 3.88Å; F1059-F1101 HydrophobicContact CD2-CD1 3.88Å; F1059-F1101 AromaticContact CD2-CE1 3.53Å; F1059-F1101 HydrophobicContact CD2-CE1 3.53Å; F1059-F1101 HydrophobicContact CD2-CZ 4.49Å; F1059-F1101 HydrophobicContact CE2-CE1 4.43Å; F1059-F1101 HydrophobicContact CG-CE1 4.27Å; K1097-F1101 PolarHBondContact O-N 3.37Å; Q1098-F1101 PolarHBondContact O-N 3.25Å; F1101-S1103 VanDerWaalsContact C-N 3.27Å; F1101-S1103 PolarHBondContact O-N 3.15Å; F1101-F1104 PolarHBondContact O-N 2.88Å; F1101-F1104 VanDerWaalsContact O-N 3.17Å; F1101-I1105 HydrophobicContact CD1-CD1 4.4Å; F1101-I1105 WeakPolarHBondContact O-CD1 3.39Å; F1101-I1105 VanDerWaalsContact O-CG1 3.24Å; F1101-I1105 WeakPolarHBondContact O-CG1 3.42Å; F1101-I1105 PolarHBondContact O-N 3.13Å; F1101-Y1116 HydrophobicContact CD2-CD1 4.17Å; F1101-Y1116 HydrophobicContact CD2-CE1 4.07Å; F1101-Y1116 AromaticContact CE2-CD1 3.41Å; F1101-Y1116 HydrophobicContact CE2-CD1 3.41Å; F1101-Y1116 VanDerWaalsContact CE2-CD1 3.41Å; F1101-Y1116 AromaticContact CE2-CE1 3.51Å; F1101-Y1116 HydrophobicContact CE2-CE1 3.51Å; F1101-Y1116 AromaticContact CZ-CD1 3.82Å; F1101-Y1116 HydrophobicContact CZ-CD1 3.82Å; F1101-Y1116 HydrophobicContact CZ-CE1 4.36Å; F1101-L1120 HydrophobicContact CE1-CD1 3.93Å; F1101-L1120 HydrophobicContact CE1-CD2 4.06Å; F1101-L1120 HydrophobicContact CE1-CG 3.94Å; F1101-L1120 HydrophobicContact CZ-CD1 4.48Å; F1101-L1120 HydrophobicContact CZ-CG 4.38Å |
| 1102 | L | 66.3 | Low | 63.3 | Low | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 179.7 | -154.8 | 121.7 | 0 | 0 | 0 | 111.5 | N1062 Y1087 Q1098 T1106 V1149 | N1062-L1102 WeakPolarHBondContact OD1-CD1 3.49Å; Y1087-L1102 HydrophobicContact CE1-CD1 4.29Å; Y1087-L1102 WeakPolarHBondContact OH-CD1 3.36Å; Q1098-L1102 VanDerWaalsContact O-CB 3.31Å; Q1098-L1102 WeakPolarHBondContact O-CB 3.31Å; Q1098-L1102 PolarHBondContact O-N 3.32Å; L1102-T1106 WeakPolarHBondContact O-CB 3.38Å; L1102-T1106 VanDerWaalsContact O-CG2 3.28Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.4Å; L1102-T1106 PolarHBondContact O-N 3.38Å; L1102-T1106 PolarHBondContact O-OG1 2.96Å; L1102-V1149 HydrophobicContact CD2-CG2 4.07Å |
| 1103 | S | 64.2 | Low | 63.3 | Low | 36 Ų | 36 | 50.1 Ų | 50.1 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.3 | -31.6 | 177.2 | -54 | 0 | 0 | 0 | 0 | 113 | F1099 I1100 F1101 T1106 N1108 I1109 | F1099-S1103 VanDerWaalsContact O-CB 3.23Å; F1099-S1103 WeakPolarHBondContact O-CB 3.35Å; F1099-S1103 PolarHBondContact O-N 3.34Å; F1099-S1103 PolarHBondContact O-OG 3.05Å; I1100-S1103 PolarHBondContact O-N 2.76Å; F1101-S1103 VanDerWaalsContact C-N 3.27Å; F1101-S1103 PolarHBondContact O-N 3.15Å; S1103-T1106 WeakPolarHBondContact CA-OG1 3.18Å; S1103-T1106 PolarHBondContact O-OG1 2.98Å; S1103-N1108 WeakPolarHBondContact O-CA 3.19Å; S1103-N1108 WeakPolarHBondContact O-CB 3.39Å; S1103-N1108 PolarHBondContact O-N 3.47Å; S1103-I1109 PolarHBondContact O-N 3.29Å |
| 1104 | F | 69.5 | Low | 63.1 | Low | 47 Ų | 47 | 56.3 Ų | 56.3 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.7 | -48.7 | 172.6 | 175.7 | -108.2 | 0 | 0 | 0 | 111.6 | I1100 F1101 T1106 G1107 I1112 L1120 I1130 | I1100-F1104 WeakPolarHBondContact O-CB 3.43Å; I1100-F1104 PolarHBondContact O-N 3.45Å; F1101-F1104 PolarHBondContact O-N 2.88Å; F1101-F1104 VanDerWaalsContact O-N 3.17Å; F1104-T1106 VanDerWaalsContact C-N 3.31Å; F1104-T1106 PolarHBondContact O-N 2.94Å; F1104-G1107 PolarHBondContact O-N 3.46Å; F1104-G1107 VanDerWaalsContact O-N 3.1Å; F1104-I1112 HydrophobicContact CB-CD1 4.43Å; F1104-I1112 HydrophobicContact CB-CG2 4.3Å; F1104-I1112 HydrophobicContact CD1-CD1 3.54Å; F1104-I1112 HydrophobicContact CD1-CG1 4.32Å; F1104-I1112 HydrophobicContact CD2-CD1 3.67Å; F1104-I1112 HydrophobicContact CD2-CG1 3.49Å; F1104-I1112 VanDerWaalsContact CD2-CG1 3.49Å; F1104-I1112 HydrophobicContact CE1-CD1 3.54Å; F1104-I1112 HydrophobicContact CE1-CG1 4.39Å; F1104-I1112 HydrophobicContact CE2-CD1 3.66Å; F1104-I1112 HydrophobicContact CE2-CG1 3.58Å; F1104-I1112 HydrophobicContact CG-CD1 3.6Å; F1104-I1112 HydrophobicContact CG-CG1 3.88Å; F1104-I1112 HydrophobicContact CG-CG2 4.46Å; F1104-I1112 HydrophobicContact CZ-CD1 3.6Å; F1104-I1112 HydrophobicContact CZ-CG1 4.04Å; F1104-L1120 HydrophobicContact CD1-CD1 4.12Å; F1104-L1120 HydrophobicContact CE1-CD1 3.72Å; F1104-L1120 HydrophobicContact CZ-CD1 4.45Å; F1104-I1130 HydrophobicContact CE1-CD1 3.85Å |
| 1105 | I | 66.2 | Low | 63 | Low | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -32.6 | -177.7 | -55.6 | 158.5 | 0 | 0 | 0 | 111.5 | F1059 N1062 I1063 L1066 F1101 G1107 I1133 | F1059-I1105 HydrophobicContact CD2-CD1 4.35Å; F1059-I1105 HydrophobicContact CE2-CD1 4.26Å; F1059-I1105 HydrophobicContact CE2-CG1 4.45Å; N1062-I1105 HydrophobicContact CB-CD1 3.67Å; I1063-I1105 HydrophobicContact CD1-CD1 4.34Å; I1063-I1105 HydrophobicContact CD1-CG2 4.25Å; L1066-I1105 HydrophobicContact CD1-CB 3.59Å; L1066-I1105 HydrophobicContact CD1-CD1 4.08Å; L1066-I1105 HydrophobicContact CD1-CG1 4.46Å; L1066-I1105 HydrophobicContact CD1-CG2 3.3Å; F1101-I1105 HydrophobicContact CD1-CD1 4.4Å; F1101-I1105 WeakPolarHBondContact O-CD1 3.39Å; F1101-I1105 VanDerWaalsContact O-CG1 3.24Å; F1101-I1105 WeakPolarHBondContact O-CG1 3.42Å; F1101-I1105 PolarHBondContact O-N 3.13Å; I1105-G1107 PolarHBondContact O-N 3.28Å; I1105-I1133 HydrophobicContact CG2-CG2 4.07Å |
| 1106 | T | 61.8 | Low | 63.3 | Low | 30 Ų | 30 | 57.7 Ų | 57.7 | 18% | 0.184 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.1 | 175.6 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | L1066 L1102 S1103 F1104 N1108 | L1066-T1106 HydrophobicContact CD1-CG2 4.41Å; L1066-T1106 HydrophobicContact CD2-CG2 3.52Å; L1102-T1106 WeakPolarHBondContact O-CB 3.38Å; L1102-T1106 VanDerWaalsContact O-CG2 3.28Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.4Å; L1102-T1106 PolarHBondContact O-N 3.38Å; L1102-T1106 PolarHBondContact O-OG1 2.96Å; S1103-T1106 WeakPolarHBondContact CA-OG1 3.18Å; S1103-T1106 PolarHBondContact O-OG1 2.98Å; F1104-T1106 VanDerWaalsContact C-N 3.31Å; F1104-T1106 PolarHBondContact O-N 2.94Å; T1106-N1108 VanDerWaalsContact C-N 3.29Å; T1106-N1108 PolarHBondContact O-N 3.32Å; T1106-N1108 PolarHBondContact OG1-ND2 3.41Å |
| 1107 | G | 62.5 | Low | 63.5 | Low | 53 Ų | 53 | 58.6 Ų | 58.6 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 10.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1104 I1105 I1109 | F1104-G1107 PolarHBondContact O-N 3.46Å; F1104-G1107 VanDerWaalsContact O-N 3.1Å; I1105-G1107 PolarHBondContact O-N 3.28Å; G1107-I1109 VanDerWaalsContact C-N 3.34Å |
| 1108 | N | 53.4 | Low | 63.6 | Low | 83 Ų | 83 | 61.6 Ų | 61.6 | 44% | 0.444 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -76.5 | -20.3 | -179.8 | -73.6 | -44 | 0 | 0 | 0 | 113.5 | S1103 T1106 F1169 | S1103-N1108 WeakPolarHBondContact O-CA 3.19Å; S1103-N1108 WeakPolarHBondContact O-CB 3.39Å; S1103-N1108 PolarHBondContact O-N 3.47Å; T1106-N1108 VanDerWaalsContact C-N 3.29Å; T1106-N1108 PolarHBondContact O-N 3.32Å; T1106-N1108 PolarHBondContact OG1-ND2 3.41Å; N1108-F1169 WeakPolarHBondContact OD1-CD2 3.19Å; N1108-F1169 WeakPolarHBondContact OD1-CE2 3.2Å |
| 1109 | I | 59.6 | Low | 63.6 | Low | 63 Ų | 63 | 64.2 Ų | 64.2 | 32% | 0.323 | 34% | 0.342 | S | S | . | . | trans | -129.9 | 122.7 | 175.7 | -37.4 | 176.1 | 0 | 0 | 0 | 108 | S1103 G1107 S1111 | S1103-I1109 PolarHBondContact O-N 3.29Å; G1107-I1109 VanDerWaalsContact C-N 3.34Å; I1109-S1111 WeakPolarHBondContact CG2-O 3.43Å; I1109-S1111 PolarHBondContact O-N 3.27Å | ||
| 1110 | Q | 58.8 | Low | 63.6 | Low | 198 Ų | 198 | 62.9 Ų | 62.9 | 93% | 0.925 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -75.2 | -13.3 | -179.7 | -69 | -177.7 | -18.4 | 0 | 0 | 113.2 | ||
| 1111 | S | 54.3 | Low | 63.4 | Low | 83 Ų | 83 | 65.2 Ų | 65.2 | 58% | 0.58 | 35% | 0.354 | S | S | * | . | trans | -147.3 | 144.4 | -178.1 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | I1109 | I1109-S1111 WeakPolarHBondContact CG2-O 3.43Å; I1109-S1111 PolarHBondContact O-N 3.27Å | ||
| 1112 | I | 68.4 | Low | 63.3 | Low | 19 Ų | 19 | 72.3 Ų | 72.3 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | trans | -119.5 | 162 | 173.2 | 14.8 | 170.7 | 0 | 0 | 0 | 107.8 | I1100 F1104 Q1117 L1120 | I1100-I1112 HydrophobicContact CG2-CG2 3.41Å; I1100-I1112 VanDerWaalsContact CG2-CG2 3.41Å; F1104-I1112 HydrophobicContact CB-CD1 4.43Å; F1104-I1112 HydrophobicContact CB-CG2 4.3Å; F1104-I1112 HydrophobicContact CD1-CD1 3.54Å; F1104-I1112 HydrophobicContact CD1-CG1 4.32Å; F1104-I1112 HydrophobicContact CD2-CD1 3.67Å; F1104-I1112 HydrophobicContact CD2-CG1 3.49Å; F1104-I1112 VanDerWaalsContact CD2-CG1 3.49Å; F1104-I1112 HydrophobicContact CE1-CD1 3.54Å; F1104-I1112 HydrophobicContact CE1-CG1 4.39Å; F1104-I1112 HydrophobicContact CE2-CD1 3.66Å; F1104-I1112 HydrophobicContact CE2-CG1 3.58Å; F1104-I1112 HydrophobicContact CG-CD1 3.6Å; F1104-I1112 HydrophobicContact CG-CG1 3.88Å; F1104-I1112 HydrophobicContact CG-CG2 4.46Å; F1104-I1112 HydrophobicContact CZ-CD1 3.6Å; F1104-I1112 HydrophobicContact CZ-CG1 4.04Å; I1112-Q1117 HydrophobicContact CD1-CG 4.43Å; I1112-Q1117 HydrophobicContact CG1-CG 4.31Å; I1112-L1120 HydrophobicContact CD1-CD1 3.16Å | ||
| 1113 | S | 67.5 | Low | 63.1 | Low | 60 Ų | 60 | 72.2 Ų | 72.2 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | trans | -57.8 | 151.2 | 177.8 | 78.6 | 0 | 0 | 0 | 0 | 111.1 | E1115 Y1116 Q1117 | S1113-E1115 PolarHBondContact O-N 3.43Å; S1113-E1115 VanDerWaalsContact O-N 3.07Å; S1113-Y1116 PolarHBondContact O-N 3.28Å; S1113-Y1116 WeakPolarHBondContact OG-CD2 3.44Å; S1113-Q1117 PolarHBondContact O-N 2.85Å; S1113-Q1117 VanDerWaalsContact O-N 3.11Å | ||
| 1114 | Q | 61.4 | Low | 62.7 | Low | 158 Ų | 158 | 73 Ų | 73 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -55.1 | -30 | -179 | -139.9 | 172.1 | 7.9 | 0 | 0 | 112.4 | L1118 | Q1114-L1118 PolarHBondContact O-N 3.49Å; Q1114-L1118 VanDerWaalsContact O-N 3.08Å |
| 1115 | E | 64.4 | Low | 62.4 | Low | 119 Ų | 119 | 74.6 Ų | 74.6 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 175.4 | -161.3 | -167.9 | 156.9 | 0 | 0 | 112.7 | S1113 K1119 | S1113-E1115 PolarHBondContact O-N 3.43Å; S1113-E1115 VanDerWaalsContact O-N 3.07Å; E1115-K1119 WeakPolarHBondContact O-CG 3.5Å; E1115-K1119 PolarHBondContact O-N 2.85Å; E1115-K1119 IonicContact OE1-NZ 2.71Å; E1115-K1119 PolarHBondContact OE1-NZ 2.98Å |
| 1116 | Y | 64.4 | Low | 62.3 | Low | 24 Ų | 24 | 75 Ų | 75 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.3 | -36.6 | 176.1 | -77.5 | -72.1 | 0 | 0 | 0 | 112.4 | K1097 F1101 S1113 L1118 K1119 L1120 | K1097-Y1116 HydrophobicContact CD-CE1 4.48Å; K1097-Y1116 WeakPolarHBondContact CD-OH 3.5Å; K1097-Y1116 WeakPolarHBondContact CE-OH 3.46Å; K1097-Y1116 WeakPolarHBondContact CG-OH 3.48Å; F1101-Y1116 HydrophobicContact CD2-CD1 4.17Å; F1101-Y1116 HydrophobicContact CD2-CE1 4.07Å; F1101-Y1116 AromaticContact CE2-CD1 3.41Å; F1101-Y1116 HydrophobicContact CE2-CD1 3.41Å; F1101-Y1116 VanDerWaalsContact CE2-CD1 3.41Å; F1101-Y1116 AromaticContact CE2-CE1 3.51Å; F1101-Y1116 HydrophobicContact CE2-CE1 3.51Å; F1101-Y1116 AromaticContact CZ-CD1 3.82Å; F1101-Y1116 HydrophobicContact CZ-CD1 3.82Å; F1101-Y1116 HydrophobicContact CZ-CE1 4.36Å; S1113-Y1116 PolarHBondContact O-N 3.28Å; S1113-Y1116 WeakPolarHBondContact OG-CD2 3.44Å; Y1116-L1118 VanDerWaalsContact C-N 3.34Å; Y1116-L1118 PolarHBondContact O-N 3.37Å; Y1116-K1119 PolarHBondContact O-N 2.88Å; Y1116-L1120 WeakPolarHBondContact O-CB 3.49Å; Y1116-L1120 PolarHBondContact O-N 2.94Å |
| 1117 | Q | 65.1 | Low | 62.5 | Low | 99 Ų | 99 | 79.4 Ų | 79.4 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.6 | -90.6 | -177.5 | -24.2 | 0 | 0 | 111.8 | I1112 S1113 K1119 L1120 T1121 | I1112-Q1117 HydrophobicContact CD1-CG 4.43Å; I1112-Q1117 HydrophobicContact CG1-CG 4.31Å; S1113-Q1117 PolarHBondContact O-N 2.85Å; S1113-Q1117 VanDerWaalsContact O-N 3.11Å; Q1117-K1119 VanDerWaalsContact C-N 3.35Å; Q1117-K1119 PolarHBondContact O-N 3.33Å; Q1117-L1120 PolarHBondContact O-N 3.24Å; Q1117-T1121 PolarHBondContact O-N 3.26Å; Q1117-T1121 PolarHBondContact O-OG1 3.29Å |
| 1118 | L | 64.7 | Low | 62.5 | Low | 108 Ų | 108 | 81.1 Ų | 81.1 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.1 | -41.4 | 176 | -91.6 | 154.9 | 0 | 0 | 0 | 112.3 | Q1114 Y1116 T1121 Q1122 | Q1114-L1118 PolarHBondContact O-N 3.49Å; Q1114-L1118 VanDerWaalsContact O-N 3.08Å; Y1116-L1118 VanDerWaalsContact C-N 3.34Å; Y1116-L1118 PolarHBondContact O-N 3.37Å; L1118-T1121 WeakPolarHBondContact CA-OG1 3.5Å; L1118-T1121 PolarHBondContact O-N 2.98Å; L1118-T1121 PolarHBondContact O-OG1 2.64Å; L1118-Q1122 WeakPolarHBondContact O-CG 3.28Å; L1118-Q1122 PolarHBondContact O-N 3.19Å |
| 1119 | K | 65.8 | Low | 63 | Low | 56 Ų | 56 | 77.7 Ų | 77.7 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 176.8 | -74.7 | 171.1 | 173.8 | 174 | 0 | 112.4 | D1055 E1115 Y1116 Q1117 T1121 Q1122 I1123 | D1055-K1119 HydrophobicContact CB-CD 4.07Å; D1055-K1119 WeakPolarHBondContact OD2-CD 3.43Å; D1055-K1119 WeakPolarHBondContact OD2-CE 3.28Å; D1055-K1119 IonicContact OD2-NZ 3.29Å; D1055-K1119 PolarHBondContact OD2-NZ 3.36Å; E1115-K1119 WeakPolarHBondContact O-CG 3.5Å; E1115-K1119 PolarHBondContact O-N 2.85Å; E1115-K1119 IonicContact OE1-NZ 2.71Å; E1115-K1119 PolarHBondContact OE1-NZ 2.98Å; Y1116-K1119 PolarHBondContact O-N 2.88Å; Q1117-K1119 VanDerWaalsContact C-N 3.35Å; Q1117-K1119 PolarHBondContact O-N 3.33Å; K1119-T1121 VanDerWaalsContact C-N 3.31Å; K1119-T1121 PolarHBondContact O-N 3Å; K1119-Q1122 WeakPolarHBondContact O-CB 3.3Å; K1119-Q1122 PolarHBondContact O-N 3Å; K1119-Q1122 VanDerWaalsContact O-N 3.09Å; K1119-I1123 PolarHBondContact O-N 3.34Å |
| 1120 | L | 64.5 | Low | 63.3 | Low | 10 Ų | 10 | 76 Ų | 76 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 174.4 | -91 | 153.9 | 0 | 0 | 0 | 113.2 | F1059 F1101 F1104 I1112 Y1116 Q1117 Q1122 I1123 S1126 I1130 | F1059-L1120 HydrophobicContact CD2-CD2 3.64Å; F1059-L1120 HydrophobicContact CE2-CD2 3.33Å; F1059-L1120 HydrophobicContact CG-CD2 4.45Å; F1059-L1120 HydrophobicContact CZ-CD2 3.93Å; F1101-L1120 HydrophobicContact CE1-CD1 3.93Å; F1101-L1120 HydrophobicContact CE1-CD2 4.06Å; F1101-L1120 HydrophobicContact CE1-CG 3.94Å; F1101-L1120 HydrophobicContact CZ-CD1 4.48Å; F1101-L1120 HydrophobicContact CZ-CG 4.38Å; F1104-L1120 HydrophobicContact CD1-CD1 4.12Å; F1104-L1120 HydrophobicContact CE1-CD1 3.72Å; F1104-L1120 HydrophobicContact CZ-CD1 4.45Å; I1112-L1120 HydrophobicContact CD1-CD1 3.16Å; Y1116-L1120 WeakPolarHBondContact O-CB 3.49Å; Y1116-L1120 PolarHBondContact O-N 2.94Å; Q1117-L1120 PolarHBondContact O-N 3.24Å; L1120-Q1122 PolarHBondContact O-N 2.98Å; L1120-I1123 PolarHBondContact O-N 2.98Å; L1120-S1126 WeakPolarHBondContact O-CB 3.24Å; L1120-S1126 PolarHBondContact O-OG 3.26Å; L1120-I1130 HydrophobicContact CD2-CD1 4.28Å |
| 1121 | T | 62.4 | Low | 63.6 | Low | 108 Ų | 108 | 72.6 Ų | 72.6 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.1 | -17.5 | 174.4 | 47.4 | 0 | 0 | 0 | 0 | 113.9 | Q1117 L1118 K1119 | Q1117-T1121 PolarHBondContact O-N 3.26Å; Q1117-T1121 PolarHBondContact O-OG1 3.29Å; L1118-T1121 WeakPolarHBondContact CA-OG1 3.5Å; L1118-T1121 PolarHBondContact O-N 2.98Å; L1118-T1121 PolarHBondContact O-OG1 2.64Å; K1119-T1121 VanDerWaalsContact C-N 3.31Å; K1119-T1121 PolarHBondContact O-N 3Å |
| 1122 | Q | 64 | Low | 64 | Low | 152 Ų | 152 | 73.2 Ų | 73.2 | 71% | 0.71 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -83.9 | -14.5 | 173.5 | -67.6 | 173.4 | -7.6 | 0 | 0 | 112.5 | L1118 K1119 L1120 P1124 | L1118-Q1122 WeakPolarHBondContact O-CG 3.28Å; L1118-Q1122 PolarHBondContact O-N 3.19Å; K1119-Q1122 WeakPolarHBondContact O-CB 3.3Å; K1119-Q1122 PolarHBondContact O-N 3Å; K1119-Q1122 VanDerWaalsContact O-N 3.09Å; L1120-Q1122 PolarHBondContact O-N 2.98Å; Q1122-P1124 WeakPolarHBondContact O-CD 3.48Å |
| 1123 | I | 62.4 | Low | 63.8 | Low | 9 Ų | 9 | 72.5 Ų | 72.5 | 5% | 0.046 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -87.1 | 117.1 | 178.7 | -59.2 | 172.1 | 0 | 0 | 0 | 108.3 | K1056 F1059 K1119 L1120 H1125 S1126 | K1056-I1123 HydrophobicContact CG-CG1 4.34Å; F1059-I1123 HydrophobicContact CB-CD1 3.6Å; F1059-I1123 HydrophobicContact CD1-CD1 3.56Å; F1059-I1123 HydrophobicContact CD1-CG2 3.78Å; F1059-I1123 HydrophobicContact CD2-CD1 4.41Å; F1059-I1123 HydrophobicContact CE1-CD1 4.3Å; F1059-I1123 HydrophobicContact CE1-CG2 3.77Å; F1059-I1123 HydrophobicContact CG-CD1 3.59Å; K1119-I1123 PolarHBondContact O-N 3.34Å; L1120-I1123 PolarHBondContact O-N 2.98Å; I1123-H1125 PolarHBondContact O-N 3.3Å; I1123-S1126 WeakPolarHBondContact O-CB 3.32Å; I1123-S1126 PolarHBondContact O-N 2.61Å; I1123-S1126 PolarHBondContact O-OG 3.35Å |
| 1124 | P | 55.8 | Low | 63.8 | Low | 54 Ų | 54 | 72.1 Ų | 72.1 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 136.7 | -178.4 | 24.3 | -30.7 | 0 | 0 | 0 | 110.5 | P952 Q1122 S1126 | P952-P1124 HydrophobicContact CG-CG 4.07Å; Q1122-P1124 WeakPolarHBondContact O-CD 3.48Å; P1124-S1126 PolarHBondContact O-N 3.34Å |
| 1125 | H | 62.5 | Low | 63.9 | Low | 80 Ų | 80 | 69.5 Ų | 69.5 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 15.6 | 179 | -46.1 | -74.8 | 0 | 0 | 0 | 115.8 | Y943 H951 I1123 N1127 I1128 L1129 | Y943-H1125 PolarHBondContact OH-CD2 3.41Å; Y943-H1125 VanDerWaalsContact OH-CD2 3.29Å; Y943-H1125 PolarHBondContact OH-NE2 3.05Å; H951-H1125 AromaticContact NE2-CD2 3.61Å; I1123-H1125 PolarHBondContact O-N 3.3Å; H1125-N1127 VanDerWaalsContact C-N 3.28Å; H1125-N1127 PolarHBondContact O-N 3.06Å; H1125-I1128 HydrophobicContact CB-CB 4.38Å; H1125-I1128 HydrophobicContact CB-CD1 4.31Å; H1125-I1128 PolarHBondContact O-N 3.15Å; H1125-L1129 PolarHBondContact O-N 3.32Å |
| 1126 | S | 65.4 | Low | 63.8 | Low | 8 Ų | 8 | 66 Ų | 66 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -53.5 | -43.3 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | L1120 I1123 P1124 I1128 L1129 I1130 | L1120-S1126 WeakPolarHBondContact O-CB 3.24Å; L1120-S1126 PolarHBondContact O-OG 3.26Å; I1123-S1126 WeakPolarHBondContact O-CB 3.32Å; I1123-S1126 PolarHBondContact O-N 2.61Å; I1123-S1126 PolarHBondContact O-OG 3.35Å; P1124-S1126 PolarHBondContact O-N 3.34Å; S1126-I1128 PolarHBondContact O-N 3.19Å; S1126-L1129 PolarHBondContact O-N 2.78Å; S1126-I1130 WeakPolarHBondContact O-CB 3.17Å; S1126-I1130 WeakPolarHBondContact O-CD1 2.92Å; S1126-I1130 WeakPolarHBondContact O-CG1 3.41Å; S1126-I1130 PolarHBondContact O-N 2.92Å |
| 1127 | N | 64.6 | Low | 63.7 | Low | 124 Ų | 124 | 65 Ų | 65 | 66% | 0.663 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 176 | -71.5 | -17 | 0 | 0 | 0 | 112.6 | H1125 I1130 E1131 | H1125-N1127 VanDerWaalsContact C-N 3.28Å; H1125-N1127 PolarHBondContact O-N 3.06Å; N1127-I1130 PolarHBondContact O-N 3.45Å; N1127-E1131 WeakPolarHBondContact O-CB 3.11Å; N1127-E1131 PolarHBondContact O-N 3.41Å |
| 1128 | I | 63.8 | Low | 63.6 | Low | 88 Ų | 88 | 64.6 Ų | 64.6 | 45% | 0.451 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | -179.6 | -65.4 | 166.8 | 0 | 0 | 0 | 110.6 | H1125 S1126 E1131 L1132 | H1125-I1128 HydrophobicContact CB-CB 4.38Å; H1125-I1128 HydrophobicContact CB-CD1 4.31Å; H1125-I1128 PolarHBondContact O-N 3.15Å; S1126-I1128 PolarHBondContact O-N 3.19Å; I1128-E1131 PolarHBondContact O-N 3.01Å; I1128-L1132 HydrophobicContact CG2-CD1 3.99Å; I1128-L1132 WeakPolarHBondContact O-CB 3.48Å; I1128-L1132 PolarHBondContact O-N 2.82Å |
| 1129 | L | 62.9 | Low | 63.5 | Low | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.8 | -83.3 | 163.6 | 0 | 0 | 0 | 112 | L953 I1063 H1125 S1126 I1133 | L953-L1129 HydrophobicContact CD1-CD2 4.3Å; L953-L1129 HydrophobicContact CD2-CD2 4.12Å; L953-L1129 HydrophobicContact CG-CD2 4.29Å; I1063-L1129 HydrophobicContact CD1-CB 4.14Å; I1063-L1129 HydrophobicContact CG2-CD2 4.05Å; H1125-L1129 PolarHBondContact O-N 3.32Å; S1126-L1129 PolarHBondContact O-N 2.78Å; L1129-I1133 WeakPolarHBondContact O-CB 3.5Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.38Å; L1129-I1133 PolarHBondContact O-N 3.28Å |
| 1130 | I | 66.8 | Low | 63.1 | Low | 28 Ų | 28 | 67.1 Ų | 67.1 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 173.2 | -69.8 | 163.5 | 0 | 0 | 0 | 108.9 | F1059 F1104 L1120 S1126 N1127 L1132 I1133 T1134 | F1059-I1130 HydrophobicContact CE2-CD1 4.46Å; F1059-I1130 HydrophobicContact CE2-CG1 4.49Å; F1059-I1130 HydrophobicContact CZ-CG1 4.46Å; F1104-I1130 HydrophobicContact CE1-CD1 3.85Å; L1120-I1130 HydrophobicContact CD2-CD1 4.28Å; S1126-I1130 WeakPolarHBondContact O-CB 3.17Å; S1126-I1130 WeakPolarHBondContact O-CD1 2.92Å; S1126-I1130 WeakPolarHBondContact O-CG1 3.41Å; S1126-I1130 PolarHBondContact O-N 2.92Å; N1127-I1130 PolarHBondContact O-N 3.45Å; I1130-L1132 PolarHBondContact O-N 2.94Å; I1130-I1133 PolarHBondContact O-N 3.14Å; I1130-T1134 PolarHBondContact O-N 3.06Å; I1130-T1134 PolarHBondContact O-OG1 3.37Å |
| 1131 | E | 64.8 | Low | 63 | Low | 125 Ų | 125 | 69 Ų | 69 | 58% | 0.584 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -55.1 | -53 | 179.2 | -131.6 | 174.8 | -178.5 | 0 | 0 | 112 | N1127 I1128 I1133 T1134 D1135 | N1127-E1131 WeakPolarHBondContact O-CB 3.11Å; N1127-E1131 PolarHBondContact O-N 3.41Å; I1128-E1131 PolarHBondContact O-N 3.01Å; E1131-I1133 VanDerWaalsContact C-N 3.32Å; E1131-I1133 PolarHBondContact O-N 3.11Å; E1131-T1134 VanDerWaalsContact CA-OG1 3.29Å; E1131-T1134 WeakPolarHBondContact CA-OG1 3.49Å; E1131-T1134 PolarHBondContact O-N 3.23Å; E1131-T1134 PolarHBondContact O-OG1 3.42Å; E1131-D1135 PolarHBondContact O-N 2.92Å |
| 1132 | L | 63.3 | Low | 62.8 | Low | 97 Ų | 97 | 67.5 Ų | 67.5 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.3 | -43.3 | 177.2 | -91.4 | 160.7 | 0 | 0 | 0 | 112.6 | I1128 I1130 C1136 | I1128-L1132 HydrophobicContact CG2-CD1 3.99Å; I1128-L1132 WeakPolarHBondContact O-CB 3.48Å; I1128-L1132 PolarHBondContact O-N 2.82Å; I1130-L1132 PolarHBondContact O-N 2.94Å; L1132-C1136 VanDerWaalsContact O-CB 3.31Å; L1132-C1136 WeakPolarHBondContact O-CB 3.47Å; L1132-C1136 PolarHBondContact O-N 3.49Å; L1132-C1136 PolarHBondContact O-SG 3.42Å |
| 1133 | I | 64 | Low | 62.4 | Low | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70 | -42.3 | 178.7 | -75.7 | 178.3 | 0 | 0 | 0 | 110.8 | I1063 L1066 L1067 I1105 L1129 I1130 E1131 D1135 C1136 L1137 | I1063-I1133 HydrophobicContact CB-CD1 4.17Å; I1063-I1133 HydrophobicContact CD1-CD1 3.6Å; I1063-I1133 HydrophobicContact CG1-CD1 4.46Å; I1063-I1133 HydrophobicContact CG2-CD1 3.78Å; L1066-I1133 HydrophobicContact CB-CD1 3.99Å; L1066-I1133 HydrophobicContact CB-CG2 3.82Å; L1066-I1133 HydrophobicContact CD1-CG2 4.34Å; L1067-I1133 HydrophobicContact CG-CD1 4.25Å; L1067-I1133 HydrophobicContact CG-CG1 4.39Å; I1105-I1133 HydrophobicContact CG2-CG2 4.07Å; L1129-I1133 WeakPolarHBondContact O-CB 3.5Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.38Å; L1129-I1133 PolarHBondContact O-N 3.28Å; I1130-I1133 PolarHBondContact O-N 3.14Å; E1131-I1133 VanDerWaalsContact C-N 3.32Å; E1131-I1133 PolarHBondContact O-N 3.11Å; I1133-D1135 VanDerWaalsContact C-N 3.34Å; I1133-D1135 PolarHBondContact O-N 3.33Å; I1133-C1136 PolarHBondContact O-N 3.35Å; I1133-L1137 HydrophobicContact CG2-CD1 3.56Å; I1133-L1137 HydrophobicContact CG2-CG 4.13Å; I1133-L1137 VanDerWaalsContact O-CB 3.24Å; I1133-L1137 WeakPolarHBondContact O-CB 3.27Å; I1133-L1137 WeakPolarHBondContact O-CD1 3.43Å; I1133-L1137 WeakPolarHBondContact O-CG 3.27Å; I1133-L1137 PolarHBondContact O-N 3.03Å |
| 1134 | T | 66.4 | Low | 62.2 | Low | 53 Ų | 53 | 68.4 Ų | 68.4 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 173.9 | 24.5 | 0 | 0 | 0 | 0 | 112.2 | I1130 E1131 L1137 C1138 | I1130-T1134 PolarHBondContact O-N 3.06Å; I1130-T1134 PolarHBondContact O-OG1 3.37Å; E1131-T1134 VanDerWaalsContact CA-OG1 3.29Å; E1131-T1134 WeakPolarHBondContact CA-OG1 3.49Å; E1131-T1134 PolarHBondContact O-N 3.23Å; E1131-T1134 PolarHBondContact O-OG1 3.42Å; T1134-L1137 PolarHBondContact O-N 3.4Å; T1134-C1138 PolarHBondContact O-N 3.2Å; T1134-C1138 PolarHBondContact O-SG 2.74Å |
| 1135 | D | 64.7 | Low | 62.5 | Low | 103 Ų | 103 | 69.3 Ų | 69.3 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 176.7 | -86.8 | -6.7 | 0 | 0 | 0 | 112 | E1131 I1133 C1138 Y1139 | E1131-D1135 PolarHBondContact O-N 2.92Å; I1133-D1135 VanDerWaalsContact C-N 3.34Å; I1133-D1135 PolarHBondContact O-N 3.33Å; D1135-C1138 VanDerWaalsContact O-CB 3.27Å; D1135-C1138 WeakPolarHBondContact O-CB 3.23Å; D1135-C1138 PolarHBondContact O-N 3.21Å; D1135-Y1139 WeakPolarHBondContact O-CE2 3.23Å |
| 1136 | C | 62.1 | Low | 62.3 | Low | 44 Ų | 44 | 66.6 Ų | 66.6 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.5 | -30.6 | 179 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | T1070 L1132 I1133 C1138 Y1139 | T1070-C1136 HydrophobicContact CG2-CB 3.23Å; L1132-C1136 VanDerWaalsContact O-CB 3.31Å; L1132-C1136 WeakPolarHBondContact O-CB 3.47Å; L1132-C1136 PolarHBondContact O-N 3.49Å; L1132-C1136 PolarHBondContact O-SG 3.42Å; I1133-C1136 PolarHBondContact O-N 3.35Å; C1136-C1138 VanDerWaalsContact C-N 3.25Å; C1136-C1138 PolarHBondContact O-N 3.23Å; C1136-Y1139 PolarHBondContact O-N 3.02Å |
| 1137 | L | 62.5 | Low | 62 | Low | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -30.1 | 175.1 | -79.4 | 165.9 | 0 | 0 | 0 | 111.1 | L1066 L1069 T1070 I1133 T1134 Y1139 T1140 R1145 | L1066-L1137 HydrophobicContact CD2-CD1 4.45Å; L1069-L1137 HydrophobicContact CB-CD2 4.22Å; L1069-L1137 HydrophobicContact CD1-CD2 4.46Å; T1070-L1137 HydrophobicContact CG2-CG 4.47Å; I1133-L1137 HydrophobicContact CG2-CD1 3.56Å; I1133-L1137 HydrophobicContact CG2-CG 4.13Å; I1133-L1137 VanDerWaalsContact O-CB 3.24Å; I1133-L1137 WeakPolarHBondContact O-CB 3.27Å; I1133-L1137 WeakPolarHBondContact O-CD1 3.43Å; I1133-L1137 WeakPolarHBondContact O-CG 3.27Å; I1133-L1137 PolarHBondContact O-N 3.03Å; T1134-L1137 PolarHBondContact O-N 3.4Å; L1137-Y1139 PolarHBondContact O-N 3.34Å; L1137-T1140 PolarHBondContact O-N 3.13Å; L1137-T1140 PolarHBondContact O-OG1 2.87Å; L1137-R1145 HydrophobicContact CD2-CG 4.36Å; L1137-R1145 PolarHBondContact O-NE 3.03Å; L1137-R1145 PolarHBondContact O-NH2 3.32Å |
| 1138 | C | 62.9 | Low | 61.9 | Low | 90 Ų | 90 | 66.3 Ų | 66.3 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -24.9 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 114.5 | T1134 D1135 C1136 | T1134-C1138 PolarHBondContact O-N 3.2Å; T1134-C1138 PolarHBondContact O-SG 2.74Å; D1135-C1138 VanDerWaalsContact O-CB 3.27Å; D1135-C1138 WeakPolarHBondContact O-CB 3.23Å; D1135-C1138 PolarHBondContact O-N 3.21Å; C1136-C1138 VanDerWaalsContact C-N 3.25Å; C1136-C1138 PolarHBondContact O-N 3.23Å |
| 1139 | Y | 61.2 | Low | 61.8 | Low | 207 Ų | 207 | 64.4 Ų | 64.4 | 81% | 0.812 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.6 | 179.5 | -60.5 | -80 | 0 | 0 | 0 | 114.8 | D1135 C1136 L1137 | D1135-Y1139 WeakPolarHBondContact O-CE2 3.23Å; C1136-Y1139 PolarHBondContact O-N 3.02Å; L1137-Y1139 PolarHBondContact O-N 3.34Å |
| 1140 | T | 58.8 | Low | 61.6 | Low | 10 Ų | 10 | 66.1 Ų | 66.1 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -99.4 | 141 | 175.7 | 53 | 0 | 0 | 0 | 0 | 111.2 | L1069 L1137 R1145 | L1069-T1140 WeakPolarHBondContact O-CG2 3.39Å; L1137-T1140 PolarHBondContact O-N 3.13Å; L1137-T1140 PolarHBondContact O-OG1 2.87Å; T1140-R1145 PolarHBondContact O-NE 3.4Å; T1140-R1145 VanDerWaalsContact O-NE 3.15Å; T1140-R1145 PolarHBondContact O-NH2 3.36Å; T1140-R1145 WeakPolarHBondContact OG1-CG 3.46Å; T1140-R1145 PolarHBondContact OG1-NE 3.48Å |
| 1141 | S | 62.1 | Low | 61.3 | Low | 49 Ų | 49 | 68 Ų | 68 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | trans | -65.8 | 149.9 | 177.6 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | T1143 E1144 R1145 | S1141-T1143 PolarHBondContact O-N 3.41Å; S1141-T1143 VanDerWaalsContact O-N 3.14Å; S1141-E1144 WeakPolarHBondContact CB-OE2 3.23Å; S1141-E1144 PolarHBondContact N-OE2 2.82Å; S1141-E1144 PolarHBondContact O-N 3.42Å; S1141-E1144 VanDerWaalsContact O-N 3.12Å; S1141-E1144 WeakPolarHBondContact OG-CB 3.46Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.31Å; S1141-E1144 PolarHBondContact OG-N 3.45Å; S1141-E1144 VanDerWaalsContact OG-N 3.14Å; S1141-E1144 PolarHBondContact OG-OE2 3.39Å; S1141-R1145 WeakPolarHBondContact O-CG 3.45Å; S1141-R1145 PolarHBondContact O-N 3.11Å; S1141-R1145 VanDerWaalsContact O-N 3.1Å | ||
| 1142 | L | 58.7 | Low | 61 | Low | 77 Ų | 77 | 62.3 Ų | 62.3 | 40% | 0.403 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.5 | -32.7 | 172.9 | -98.6 | 155.7 | 0 | 0 | 0 | 112.6 | A1146 F1169 L1173 | L1142-A1146 VanDerWaalsContact O-CB 3.27Å; L1142-A1146 WeakPolarHBondContact O-CB 3.29Å; L1142-A1146 PolarHBondContact O-N 3.09Å; L1142-F1169 HydrophobicContact CD2-CE1 3.29Å; L1142-F1169 HydrophobicContact CD2-CE2 4.36Å; L1142-F1169 HydrophobicContact CD2-CZ 3.2Å; L1142-L1173 HydrophobicContact CD1-CD1 3.91Å; L1142-L1173 HydrophobicContact CD1-CD2 3.85Å; L1142-L1173 HydrophobicContact CD2-CD1 3.39Å; L1142-L1173 HydrophobicContact CD2-CD2 4.29Å; L1142-L1173 HydrophobicContact CD2-CG 4.48Å; L1142-L1173 HydrophobicContact CG-CD1 4.27Å |
| 1143 | T | 55.2 | Low | 60.7 | Low | 96 Ų | 96 | 58.1 Ų | 58.1 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.9 | -43.9 | 178.3 | -18.9 | 0 | 0 | 0 | 0 | 112 | S1141 A1146 Q1147 | S1141-T1143 PolarHBondContact O-N 3.41Å; S1141-T1143 VanDerWaalsContact O-N 3.14Å; T1143-A1146 PolarHBondContact O-N 3.25Å; T1143-Q1147 WeakPolarHBondContact O-CB 3.39Å; T1143-Q1147 PolarHBondContact O-N 3.42Å |
| 1144 | E | 58.8 | Low | 60.3 | Low | 85 Ų | 85 | 65.7 Ų | 65.7 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 177.8 | -74.4 | 159 | 152.5 | 0 | 0 | 111.6 | S1141 A1146 Q1147 F1148 | S1141-E1144 WeakPolarHBondContact CB-OE2 3.23Å; S1141-E1144 PolarHBondContact N-OE2 2.82Å; S1141-E1144 PolarHBondContact O-N 3.42Å; S1141-E1144 VanDerWaalsContact O-N 3.12Å; S1141-E1144 WeakPolarHBondContact OG-CB 3.46Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.31Å; S1141-E1144 PolarHBondContact OG-N 3.45Å; S1141-E1144 VanDerWaalsContact OG-N 3.14Å; S1141-E1144 PolarHBondContact OG-OE2 3.39Å; E1144-A1146 VanDerWaalsContact C-N 3.33Å; E1144-A1146 PolarHBondContact O-N 3.4Å; E1144-Q1147 PolarHBondContact O-N 3.49Å; E1144-F1148 WeakPolarHBondContact O-CB 3.32Å; E1144-F1148 PolarHBondContact O-N 2.82Å |
| 1145 | R | 61.6 | Low | 59.6 | Low | 72 Ų | 72 | 66.6 Ų | 66.6 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 174.9 | -62.1 | -177.7 | -148.7 | 171.4 | 15.8 | 111 | L1137 T1140 S1141 V1149 | L1137-R1145 HydrophobicContact CD2-CG 4.36Å; L1137-R1145 PolarHBondContact O-NE 3.03Å; L1137-R1145 PolarHBondContact O-NH2 3.32Å; T1140-R1145 PolarHBondContact O-NE 3.4Å; T1140-R1145 VanDerWaalsContact O-NE 3.15Å; T1140-R1145 PolarHBondContact O-NH2 3.36Å; T1140-R1145 WeakPolarHBondContact OG1-CG 3.46Å; T1140-R1145 PolarHBondContact OG1-NE 3.48Å; S1141-R1145 WeakPolarHBondContact O-CG 3.45Å; S1141-R1145 PolarHBondContact O-N 3.11Å; S1141-R1145 VanDerWaalsContact O-N 3.1Å; R1145-V1149 VanDerWaalsContact O-CG2 3.27Å; R1145-V1149 WeakPolarHBondContact O-CG2 3.48Å; R1145-V1149 PolarHBondContact O-N 2.87Å; R1145-V1149 VanDerWaalsContact O-N 3.12Å |
| 1146 | A | 56.8 | Low | 58.7 | Low | 23 Ų | 23 | 63.6 Ų | 63.6 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1142 T1143 E1144 V1149 I1150 | L1142-A1146 VanDerWaalsContact O-CB 3.27Å; L1142-A1146 WeakPolarHBondContact O-CB 3.29Å; L1142-A1146 PolarHBondContact O-N 3.09Å; T1143-A1146 PolarHBondContact O-N 3.25Å; E1144-A1146 VanDerWaalsContact C-N 3.33Å; E1144-A1146 PolarHBondContact O-N 3.4Å; A1146-V1149 PolarHBondContact O-N 3.18Å; A1146-I1150 WeakPolarHBondContact O-CB 3.44Å; A1146-I1150 WeakPolarHBondContact O-CD1 3.4Å; A1146-I1150 WeakPolarHBondContact O-CG1 3.4Å; A1146-I1150 PolarHBondContact O-N 3.14Å |
| 1147 | Q | 59.6 | Low | 57.9 | Low | 113 Ų | 113 | 64.1 Ų | 64.1 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.4 | -89.7 | -178.1 | -36.5 | 0 | 0 | 112.9 | T1143 E1144 I1150 M1151 | T1143-Q1147 WeakPolarHBondContact O-CB 3.39Å; T1143-Q1147 PolarHBondContact O-N 3.42Å; E1144-Q1147 PolarHBondContact O-N 3.49Å; Q1147-I1150 PolarHBondContact O-N 3.04Å; Q1147-M1151 WeakPolarHBondContact O-CB 3.38Å; Q1147-M1151 PolarHBondContact O-N 2.61Å |
| 1148 | F | 63.5 | Low | 57.3 | Low | 13 Ų | 13 | 67.3 Ų | 67.3 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 176.5 | 179.1 | -92.8 | 0 | 0 | 0 | 111.4 | I1065 I1068 L1069 P1075 L1080 E1144 I1150 M1151 V1152 | I1065-F1148 HydrophobicContact CG2-CE1 3.77Å; I1065-F1148 HydrophobicContact CG2-CZ 3.74Å; I1068-F1148 HydrophobicContact CG2-CE2 3.95Å; I1068-F1148 HydrophobicContact CG2-CZ 4.26Å; L1069-F1148 HydrophobicContact CD1-CB 4.42Å; L1069-F1148 HydrophobicContact CD1-CD1 3.29Å; L1069-F1148 HydrophobicContact CD1-CE1 3.51Å; L1069-F1148 HydrophobicContact CD1-CG 3.87Å; L1069-F1148 HydrophobicContact CD1-CZ 4.26Å; L1069-F1148 HydrophobicContact CD2-CB 3.62Å; L1069-F1148 HydrophobicContact CD2-CD1 4Å; L1069-F1148 HydrophobicContact CD2-CD2 4.07Å; L1069-F1148 HydrophobicContact CD2-CG 3.63Å; L1069-F1148 HydrophobicContact CG-CB 4.24Å; L1069-F1148 HydrophobicContact CG-CD1 3.64Å; L1069-F1148 HydrophobicContact CG-CD2 4.02Å; L1069-F1148 HydrophobicContact CG-CE1 3.86Å; L1069-F1148 HydrophobicContact CG-CE2 4.25Å; L1069-F1148 HydrophobicContact CG-CG 3.7Å; L1069-F1148 HydrophobicContact CG-CZ 4.15Å; P1075-F1148 HydrophobicContact CG-CD2 4.18Å; P1075-F1148 HydrophobicContact CG-CE2 4.15Å; L1080-F1148 HydrophobicContact CD2-CD2 3.78Å; L1080-F1148 HydrophobicContact CD2-CE2 4.09Å; E1144-F1148 WeakPolarHBondContact O-CB 3.32Å; E1144-F1148 PolarHBondContact O-N 2.82Å; F1148-I1150 VanDerWaalsContact C-N 3.33Å; F1148-I1150 PolarHBondContact O-N 3.47Å; F1148-M1151 PolarHBondContact O-N 3.39Å; F1148-V1152 HydrophobicContact CD1-CG2 4.2Å; F1148-V1152 HydrophobicContact CD2-CG2 4.33Å; F1148-V1152 HydrophobicContact CE1-CG2 3.95Å; F1148-V1152 HydrophobicContact CE2-CG2 4.05Å; F1148-V1152 HydrophobicContact CG-CG2 4.41Å; F1148-V1152 HydrophobicContact CZ-CG2 3.88Å; F1148-V1152 WeakPolarHBondContact O-CB 3.16Å; F1148-V1152 WeakPolarHBondContact O-CG2 3.48Å; F1148-V1152 PolarHBondContact O-N 3.39Å |
| 1149 | V | 60.8 | Low | 56.4 | Low | 48 Ų | 48 | 69 Ų | 69 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | L1102 R1145 A1146 M1151 T1153 | L1102-V1149 HydrophobicContact CD2-CG2 4.07Å; R1145-V1149 VanDerWaalsContact O-CG2 3.27Å; R1145-V1149 WeakPolarHBondContact O-CG2 3.48Å; R1145-V1149 PolarHBondContact O-N 2.87Å; R1145-V1149 VanDerWaalsContact O-N 3.12Å; A1146-V1149 PolarHBondContact O-N 3.18Å; V1149-M1151 VanDerWaalsContact C-N 3.33Å; V1149-M1151 PolarHBondContact O-N 3.16Å; V1149-T1153 HydrophobicContact CG1-CG2 4.15Å; V1149-T1153 VanDerWaalsContact O-CB 3.24Å; V1149-T1153 WeakPolarHBondContact O-CB 2.87Å; V1149-T1153 WeakPolarHBondContact O-CG2 2.96Å; V1149-T1153 PolarHBondContact O-N 3.2Å; V1149-T1153 PolarHBondContact O-OG1 3.31Å |
| 1150 | I | 58.8 | Low | 55.8 | Low | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 175.8 | -72.6 | 159.2 | 0 | 0 | 0 | 111.6 | A1146 Q1147 F1148 R1154 V1162 I1166 | A1146-I1150 WeakPolarHBondContact O-CB 3.44Å; A1146-I1150 WeakPolarHBondContact O-CD1 3.4Å; A1146-I1150 WeakPolarHBondContact O-CG1 3.4Å; A1146-I1150 PolarHBondContact O-N 3.14Å; Q1147-I1150 PolarHBondContact O-N 3.04Å; F1148-I1150 VanDerWaalsContact C-N 3.33Å; F1148-I1150 PolarHBondContact O-N 3.47Å; I1150-R1154 WeakPolarHBondContact O-CA 3.14Å; I1150-R1154 WeakPolarHBondContact O-CB 3.28Å; I1150-R1154 PolarHBondContact O-N 3.46Å; I1150-V1162 HydrophobicContact CG1-CG1 3.94Å; I1150-I1166 HydrophobicContact CD1-CD1 3.37Å; I1150-I1166 HydrophobicContact CD1-CG1 4.36Å; I1150-I1166 HydrophobicContact CG1-CD1 3.4Å; I1150-I1166 VanDerWaalsContact CG1-CD1 3.4Å; I1150-I1166 HydrophobicContact CG1-CG1 4.41Å |
| 1151 | M | 60.4 | Low | 55.3 | Low | 68 Ų | 68 | 71 Ų | 71 | 34% | 0.335 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72 | -45 | -176.9 | -85.1 | 178.9 | 163.5 | 0 | 0 | 112.6 | L1080 Q1147 F1148 V1149 T1153 R1154 | L1080-M1151 HydrophobicContact CD1-SD 3.66Å; L1080-M1151 HydrophobicContact CD2-CB 3.78Å; L1080-M1151 HydrophobicContact CD2-SD 4.15Å; L1080-M1151 HydrophobicContact CG-SD 4.34Å; Q1147-M1151 WeakPolarHBondContact O-CB 3.38Å; Q1147-M1151 PolarHBondContact O-N 2.61Å; F1148-M1151 PolarHBondContact O-N 3.39Å; V1149-M1151 VanDerWaalsContact C-N 3.33Å; V1149-M1151 PolarHBondContact O-N 3.16Å; M1151-T1153 VanDerWaalsContact C-N 3.3Å; M1151-T1153 PolarHBondContact O-N 3.15Å; M1151-R1154 WeakPolarHBondContact O-CB 3.21Å; M1151-R1154 PolarHBondContact O-N 3.2Å |
| 1152 | V | 59.9 | Low | 54.4 | Low | 5 Ų | 5 | 69.6 Ų | 69.6 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.7 | -29.9 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | L1080 Y1087 F1148 | L1080-V1152 HydrophobicContact CD2-CG2 3.92Å; Y1087-V1152 HydrophobicContact CD1-CG1 4.07Å; Y1087-V1152 HydrophobicContact CD2-CG1 3.84Å; Y1087-V1152 HydrophobicContact CE1-CG1 4.45Å; Y1087-V1152 HydrophobicContact CE2-CG1 4.31Å; Y1087-V1152 HydrophobicContact CG-CG1 3.73Å; F1148-V1152 HydrophobicContact CD1-CG2 4.2Å; F1148-V1152 HydrophobicContact CD2-CG2 4.33Å; F1148-V1152 HydrophobicContact CE1-CG2 3.95Å; F1148-V1152 HydrophobicContact CE2-CG2 4.05Å; F1148-V1152 HydrophobicContact CG-CG2 4.41Å; F1148-V1152 HydrophobicContact CZ-CG2 3.88Å; F1148-V1152 WeakPolarHBondContact O-CB 3.16Å; F1148-V1152 WeakPolarHBondContact O-CG2 3.48Å; F1148-V1152 PolarHBondContact O-N 3.39Å |
| 1153 | T | 56.7 | Low | 53.7 | Low | 10 Ų | 10 | 69.3 Ų | 69.3 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -93.6 | -12.6 | 179.1 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | F1099 V1149 M1151 P1155 S1156 | F1099-T1153 HydrophobicContact CD1-CG2 4.01Å; F1099-T1153 HydrophobicContact CE1-CG2 3.51Å; V1149-T1153 HydrophobicContact CG1-CG2 4.15Å; V1149-T1153 VanDerWaalsContact O-CB 3.24Å; V1149-T1153 WeakPolarHBondContact O-CB 2.87Å; V1149-T1153 WeakPolarHBondContact O-CG2 2.96Å; V1149-T1153 PolarHBondContact O-N 3.2Å; V1149-T1153 PolarHBondContact O-OG1 3.31Å; M1151-T1153 VanDerWaalsContact C-N 3.3Å; M1151-T1153 PolarHBondContact O-N 3.15Å; T1153-P1155 VanDerWaalsContact C-N 3.32Å; T1153-P1155 VanDerWaalsContact O-N 3.16Å; T1153-S1156 PolarHBondContact O-N 3.44Å; T1153-S1156 PolarHBondContact O-OG 3.19Å |
| 1154 | R | 55.6 | Low | 53.5 | Low | 162 Ų | 162 | 74.1 Ų | 74.1 | 61% | 0.611 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -38.8 | -175.7 | -141.7 | 176.6 | 176.2 | 174.1 | -1.7 | 115.2 | I1150 M1151 S1156 | I1150-R1154 WeakPolarHBondContact O-CA 3.14Å; I1150-R1154 WeakPolarHBondContact O-CB 3.28Å; I1150-R1154 PolarHBondContact O-N 3.46Å; M1151-R1154 WeakPolarHBondContact O-CB 3.21Å; M1151-R1154 PolarHBondContact O-N 3.2Å; R1154-S1156 VanDerWaalsContact C-N 3.28Å; R1154-S1156 PolarHBondContact O-N 3.2Å |
| 1155 | P | 51.4 | Low | 52.8 | Low | 71 Ų | 71 | 74 Ų | 74 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.6 | -178.3 | -19.5 | 33.1 | 0 | 0 | 0 | 114.2 | A1084 C1088 T1153 | A1084-P1155 HydrophobicContact CB-CG 3.51Å; C1088-P1155 HydrophobicContact CB-CB 4.25Å; C1088-P1155 VanDerWaalsContact SG-CB 3.52Å; T1153-P1155 VanDerWaalsContact C-N 3.32Å; T1153-P1155 VanDerWaalsContact O-N 3.16Å |
| 1156 | S | 45.4 | Very low | 51.9 | Low | 41 Ų | 41 | 72.5 Ų | 72.5 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -17.1 | -161.9 | 64.8 | 0 | 0 | 0 | 0 | 115.2 | F1099 T1153 R1154 | F1099-S1156 WeakPolarHBondContact CZ-OG 3.22Å; T1153-S1156 PolarHBondContact O-N 3.44Å; T1153-S1156 PolarHBondContact O-OG 3.19Å; R1154-S1156 VanDerWaalsContact C-N 3.28Å; R1154-S1156 PolarHBondContact O-N 3.2Å |
| 1157 | L | 46.3 | Very low | 51.5 | Low | 54 Ų | 54 | 75 Ų | 75 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -129.9 | 135.2 | -171.8 | -83 | 149.3 | 0 | 0 | 0 | 110.6 | F1099 L1159 K1161 V1162 | F1099-L1157 HydrophobicContact CD1-CD1 4.42Å; F1099-L1157 HydrophobicContact CE1-CD1 4.09Å; F1099-L1157 HydrophobicContact CE2-CD1 4.27Å; F1099-L1157 HydrophobicContact CZ-CD1 4.01Å; L1157-L1159 PolarHBondContact O-N 3.17Å; L1157-K1161 HydrophobicContact CD2-CB 4.23Å; L1157-K1161 HydrophobicContact CD2-CD 3.79Å; L1157-V1162 HydrophobicContact CB-CG2 3.67Å |
| 1158 | S | 48.8 | Very low | 51 | Low | 71 Ų | 71 | 73 Ų | 73 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | trans | -53.6 | 134.6 | 176.1 | 69 | 0 | 0 | 0 | 0 | 109.6 | N1160 K1161 V1162 | S1158-N1160 PolarHBondContact O-N 3.01Å; S1158-K1161 WeakPolarHBondContact O-CA 3.3Å; S1158-K1161 WeakPolarHBondContact O-CB 3.4Å; S1158-K1161 PolarHBondContact O-N 3.25Å; S1158-K1161 PolarHBondContact OG-N 2.91Å; S1158-V1162 PolarHBondContact O-N 3.31Å | ||
| 1159 | L | 43.4 | Very low | 50 | Low | 127 Ų | 127 | 75 Ų | 75 | 67% | 0.665 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -45.3 | -45.1 | 178.9 | -155.6 | 83.4 | 0 | 0 | 0 | 109.3 | L1157 K1161 V1162 T1163 | L1157-L1159 PolarHBondContact O-N 3.17Å; L1159-K1161 PolarHBondContact O-N 3Å; L1159-V1162 CarbonylContact O-C 3.56Å; L1159-V1162 WeakPolarHBondContact O-CB 3.47Å; L1159-V1162 PolarHBondContact O-N 3.4Å; L1159-V1162 VanDerWaalsContact O-N 3.11Å; L1159-T1163 PolarHBondContact O-N 2.88Å; L1159-T1163 PolarHBondContact O-OG1 2.94Å |
| 1160 | N | 48.9 | Very low | 49.2 | Very low | 128 Ų | 128 | 77.6 Ų | 77.6 | 68% | 0.684 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -54 | -39.1 | 174.5 | -101.2 | -15.8 | 0 | 0 | 0 | 116.5 | S1158 R1164 | S1158-N1160 PolarHBondContact O-N 3.01Å; N1160-R1164 VanDerWaalsContact O-CB 3.28Å; N1160-R1164 WeakPolarHBondContact O-CB 3.49Å; N1160-R1164 PolarHBondContact O-N 2.8Å |
| 1161 | K | 49.6 | Very low | 48.7 | Very low | 131 Ų | 131 | 83.3 Ų | 83.3 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.6 | -43.3 | 175.4 | -94.7 | -176.5 | 176.1 | 178.8 | 0 | 110.8 | L1157 S1158 L1159 R1164 S1165 | L1157-K1161 HydrophobicContact CD2-CB 4.23Å; L1157-K1161 HydrophobicContact CD2-CD 3.79Å; S1158-K1161 WeakPolarHBondContact O-CA 3.3Å; S1158-K1161 WeakPolarHBondContact O-CB 3.4Å; S1158-K1161 PolarHBondContact O-N 3.25Å; S1158-K1161 PolarHBondContact OG-N 2.91Å; L1159-K1161 PolarHBondContact O-N 3Å; K1161-R1164 PolarHBondContact O-N 3.27Å; K1161-S1165 WeakPolarHBondContact O-CB 3.46Å; K1161-S1165 PolarHBondContact O-N 3.45Å; K1161-S1165 PolarHBondContact O-OG 3.26Å; K1161-S1165 VanDerWaalsContact O-OG 3.06Å |
| 1162 | V | 42.1 | Very low | 48 | Very low | 19 Ų | 19 | 85 Ų | 85 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 176 | 177.7 | 0 | 0 | 0 | 0 | 110 | I1150 L1157 S1158 L1159 R1164 S1165 I1166 | I1150-V1162 HydrophobicContact CG1-CG1 3.94Å; L1157-V1162 HydrophobicContact CB-CG2 3.67Å; S1158-V1162 PolarHBondContact O-N 3.31Å; L1159-V1162 CarbonylContact O-C 3.56Å; L1159-V1162 WeakPolarHBondContact O-CB 3.47Å; L1159-V1162 PolarHBondContact O-N 3.4Å; L1159-V1162 VanDerWaalsContact O-N 3.11Å; V1162-R1164 PolarHBondContact O-N 3.39Å; V1162-S1165 PolarHBondContact O-N 3.46Å; V1162-I1166 HydrophobicContact CG1-CD1 3.52Å; V1162-I1166 HydrophobicContact CG1-CG1 4.47Å; V1162-I1166 WeakPolarHBondContact O-CB 3.24Å; V1162-I1166 VanDerWaalsContact O-CD1 3.28Å; V1162-I1166 WeakPolarHBondContact O-CD1 3.32Å; V1162-I1166 VanDerWaalsContact O-CG1 3.22Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.36Å; V1162-I1166 PolarHBondContact O-N 3.48Å |
| 1163 | T | 44.4 | Very low | 47 | Very low | 71 Ų | 71 | 87.5 Ų | 87.5 | 44% | 0.436 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 176.8 | -31.5 | 0 | 0 | 0 | 0 | 112.2 | L1159 S1167 | L1159-T1163 PolarHBondContact O-N 2.88Å; L1159-T1163 PolarHBondContact O-OG1 2.94Å; T1163-S1167 WeakPolarHBondContact O-CB 3.5Å; T1163-S1167 PolarHBondContact O-N 3.44Å |
| 1164 | R | 50 | Low | 46.2 | Very low | 197 Ų | 197 | 90.2 Ų | 90.2 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 173.9 | -94.3 | -178.6 | 167.9 | 164.7 | -2.4 | 112.1 | N1160 K1161 V1162 S1167 T1168 | N1160-R1164 VanDerWaalsContact O-CB 3.28Å; N1160-R1164 WeakPolarHBondContact O-CB 3.49Å; N1160-R1164 PolarHBondContact O-N 2.8Å; K1161-R1164 PolarHBondContact O-N 3.27Å; V1162-R1164 PolarHBondContact O-N 3.39Å; R1164-S1167 PolarHBondContact O-N 2.92Å; R1164-T1168 VanDerWaalsContact O-CB 3.27Å; R1164-T1168 WeakPolarHBondContact O-CB 3.37Å; R1164-T1168 PolarHBondContact O-N 3.13Å; R1164-T1168 PolarHBondContact O-OG1 3.11Å |
| 1165 | S | 44.5 | Very low | 45.6 | Very low | 82 Ų | 82 | 87.7 Ų | 87.7 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | K1161 V1162 T1168 F1169 | K1161-S1165 WeakPolarHBondContact O-CB 3.46Å; K1161-S1165 PolarHBondContact O-N 3.45Å; K1161-S1165 PolarHBondContact O-OG 3.26Å; K1161-S1165 VanDerWaalsContact O-OG 3.06Å; V1162-S1165 PolarHBondContact O-N 3.46Å; S1165-T1168 PolarHBondContact O-N 2.91Å; S1165-F1169 VanDerWaalsContact O-CB 3.22Å; S1165-F1169 WeakPolarHBondContact O-CB 3.26Å; S1165-F1169 PolarHBondContact O-N 3.48Å |
| 1166 | I | 43.1 | Very low | 45.1 | Very low | 41 Ų | 41 | 92.1 Ų | 92.1 | 21% | 0.21 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.9 | -66.5 | 156.9 | 0 | 0 | 0 | 111.6 | I1150 V1162 T1168 F1169 I1170 | I1150-I1166 HydrophobicContact CD1-CD1 3.37Å; I1150-I1166 HydrophobicContact CD1-CG1 4.36Å; I1150-I1166 HydrophobicContact CG1-CD1 3.4Å; I1150-I1166 VanDerWaalsContact CG1-CD1 3.4Å; I1150-I1166 HydrophobicContact CG1-CG1 4.41Å; V1162-I1166 HydrophobicContact CG1-CD1 3.52Å; V1162-I1166 HydrophobicContact CG1-CG1 4.47Å; V1162-I1166 WeakPolarHBondContact O-CB 3.24Å; V1162-I1166 VanDerWaalsContact O-CD1 3.28Å; V1162-I1166 WeakPolarHBondContact O-CD1 3.32Å; V1162-I1166 VanDerWaalsContact O-CG1 3.22Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.36Å; V1162-I1166 PolarHBondContact O-N 3.48Å; I1166-T1168 VanDerWaalsContact C-N 3.29Å; I1166-T1168 PolarHBondContact O-N 3.18Å; I1166-F1169 WeakPolarHBondContact O-CB 3.1Å; I1166-F1169 PolarHBondContact O-N 3.35Å; I1166-I1170 HydrophobicContact CG2-CD1 3.7Å; I1166-I1170 HydrophobicContact CG2-CG1 4.25Å; I1166-I1170 WeakPolarHBondContact O-CB 3.11Å; I1166-I1170 VanDerWaalsContact O-CG1 3.27Å; I1166-I1170 WeakPolarHBondContact O-CG1 3.46Å; I1166-I1170 PolarHBondContact O-N 3.31Å |
| 1167 | S | 48.1 | Very low | 44.5 | Very low | 75 Ų | 75 | 100.9 Ų | 100.9 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 177.4 | -167 | 0 | 0 | 0 | 0 | 110.9 | T1163 R1164 R1171 | T1163-S1167 WeakPolarHBondContact O-CB 3.5Å; T1163-S1167 PolarHBondContact O-N 3.44Å; R1164-S1167 PolarHBondContact O-N 2.92Å; S1167-R1171 WeakPolarHBondContact O-CB 3.09Å; S1167-R1171 PolarHBondContact O-N 3.08Å |
| 1168 | T | 48.6 | Very low | 43.9 | Very low | 70 Ų | 70 | 106.6 Ų | 106.6 | 43% | 0.429 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 172.5 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | R1164 S1165 I1166 R1171 L1172 | R1164-T1168 VanDerWaalsContact O-CB 3.27Å; R1164-T1168 WeakPolarHBondContact O-CB 3.37Å; R1164-T1168 PolarHBondContact O-N 3.13Å; R1164-T1168 PolarHBondContact O-OG1 3.11Å; S1165-T1168 PolarHBondContact O-N 2.91Å; I1166-T1168 VanDerWaalsContact C-N 3.29Å; I1166-T1168 PolarHBondContact O-N 3.18Å; T1168-R1171 PolarHBondContact O-N 3.18Å; T1168-L1172 HydrophobicContact CG2-CD1 4.07Å; T1168-L1172 WeakPolarHBondContact O-CB 3.05Å; T1168-L1172 VanDerWaalsContact O-CG 3.27Å; T1168-L1172 WeakPolarHBondContact O-CG 3.06Å; T1168-L1172 PolarHBondContact O-N 2.65Å |
| 1169 | F | 43.5 | Very low | 42.9 | Very low | 56 Ų | 56 | 106.4 Ų | 106.4 | 25% | 0.246 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 175.8 | 179.7 | -111.7 | 0 | 0 | 0 | 112.4 | N1108 L1142 S1165 I1166 R1171 L1172 L1173 | N1108-F1169 WeakPolarHBondContact OD1-CD2 3.19Å; N1108-F1169 WeakPolarHBondContact OD1-CE2 3.2Å; L1142-F1169 HydrophobicContact CD2-CE1 3.29Å; L1142-F1169 HydrophobicContact CD2-CE2 4.36Å; L1142-F1169 HydrophobicContact CD2-CZ 3.2Å; S1165-F1169 VanDerWaalsContact O-CB 3.22Å; S1165-F1169 WeakPolarHBondContact O-CB 3.26Å; S1165-F1169 PolarHBondContact O-N 3.48Å; I1166-F1169 WeakPolarHBondContact O-CB 3.1Å; I1166-F1169 PolarHBondContact O-N 3.35Å; F1169-R1171 VanDerWaalsContact C-N 3.31Å; F1169-R1171 PolarHBondContact O-N 3.03Å; F1169-L1172 PolarHBondContact O-N 3.07Å; F1169-L1173 HydrophobicContact CD1-CD1 3.8Å; F1169-L1173 HydrophobicContact CD2-CD1 4.31Å; F1169-L1173 HydrophobicContact CE1-CD1 3.56Å; F1169-L1173 HydrophobicContact CE2-CD1 4.04Å; F1169-L1173 HydrophobicContact CG-CD1 4.2Å; F1169-L1173 HydrophobicContact CZ-CD1 3.71Å; F1169-L1173 WeakPolarHBondContact O-CG 3.26Å; F1169-L1173 PolarHBondContact O-N 2.7Å |
| 1170 | I | 44.5 | Very low | 42.1 | Very low | 103 Ų | 103 | 108.4 Ų | 108.4 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.3 | -41.2 | 173.5 | -68.6 | 170.3 | 0 | 0 | 0 | 110.5 | I1166 L1173 S1174 | I1166-I1170 HydrophobicContact CG2-CD1 3.7Å; I1166-I1170 HydrophobicContact CG2-CG1 4.25Å; I1166-I1170 WeakPolarHBondContact O-CB 3.11Å; I1166-I1170 VanDerWaalsContact O-CG1 3.27Å; I1166-I1170 WeakPolarHBondContact O-CG1 3.46Å; I1166-I1170 PolarHBondContact O-N 3.31Å; I1170-L1173 PolarHBondContact O-N 3.3Å; I1170-S1174 WeakPolarHBondContact O-CB 3.47Å; I1170-S1174 PolarHBondContact O-N 3.24Å; I1170-S1174 PolarHBondContact O-OG 3.5Å |
| 1171 | R | 48.3 | Very low | 41.4 | Very low | 168 Ų | 168 | 112.1 Ų | 112.1 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.2 | -41.1 | 177.7 | -159.5 | 177.5 | 82.3 | 162.3 | 7 | 111.9 | S1167 T1168 F1169 S1174 L1175 | S1167-R1171 WeakPolarHBondContact O-CB 3.09Å; S1167-R1171 PolarHBondContact O-N 3.08Å; T1168-R1171 PolarHBondContact O-N 3.18Å; F1169-R1171 VanDerWaalsContact C-N 3.31Å; F1169-R1171 PolarHBondContact O-N 3.03Å; R1171-S1174 WeakPolarHBondContact CA-OG 3.4Å; R1171-S1174 PolarHBondContact O-N 3.11Å; R1171-S1174 PolarHBondContact O-OG 3.5Å; R1171-L1175 HydrophobicContact CG-CD1 4.41Å; R1171-L1175 WeakPolarHBondContact O-CD1 3.4Å; R1171-L1175 VanDerWaalsContact O-CG 3.27Å; R1171-L1175 WeakPolarHBondContact O-CG 3.41Å; R1171-L1175 PolarHBondContact O-N 2.95Å; R1171-L1175 VanDerWaalsContact O-N 3.1Å |
| 1172 | L | 44.2 | Very low | 40.9 | Very low | 104 Ų | 104 | 111.2 Ų | 111.2 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.1 | -38.9 | 176.3 | -74.6 | 165.4 | 0 | 0 | 0 | 112.4 | T1168 F1169 L1175 Q1176 | T1168-L1172 HydrophobicContact CG2-CD1 4.07Å; T1168-L1172 WeakPolarHBondContact O-CB 3.05Å; T1168-L1172 VanDerWaalsContact O-CG 3.27Å; T1168-L1172 WeakPolarHBondContact O-CG 3.06Å; T1168-L1172 PolarHBondContact O-N 2.65Å; F1169-L1172 PolarHBondContact O-N 3.07Å; L1172-L1175 PolarHBondContact O-N 2.81Å; L1172-Q1176 PolarHBondContact O-N 3.4Å |
| 1173 | L | 39.9 | Very low | 40.9 | Very low | 57 Ų | 57 | 116 Ų | 116 | 30% | 0.298 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.6 | -36.1 | 173.5 | -76.5 | 159.1 | 0 | 0 | 0 | 112.9 | L1142 F1169 I1170 L1175 Q1176 | L1142-L1173 HydrophobicContact CD1-CD1 3.91Å; L1142-L1173 HydrophobicContact CD1-CD2 3.85Å; L1142-L1173 HydrophobicContact CD2-CD1 3.39Å; L1142-L1173 HydrophobicContact CD2-CD2 4.29Å; L1142-L1173 HydrophobicContact CD2-CG 4.48Å; L1142-L1173 HydrophobicContact CG-CD1 4.27Å; F1169-L1173 HydrophobicContact CD1-CD1 3.8Å; F1169-L1173 HydrophobicContact CD2-CD1 4.31Å; F1169-L1173 HydrophobicContact CE1-CD1 3.56Å; F1169-L1173 HydrophobicContact CE2-CD1 4.04Å; F1169-L1173 HydrophobicContact CG-CD1 4.2Å; F1169-L1173 HydrophobicContact CZ-CD1 3.71Å; F1169-L1173 WeakPolarHBondContact O-CG 3.26Å; F1169-L1173 PolarHBondContact O-N 2.7Å; I1170-L1173 PolarHBondContact O-N 3.3Å; L1173-L1175 VanDerWaalsContact C-N 3.28Å; L1173-L1175 PolarHBondContact O-N 3.32Å; L1173-Q1176 PolarHBondContact O-N 3.09Å |
| 1174 | S | 40.6 | Very low | 40.7 | Very low | 66 Ų | 66 | 118.5 Ų | 118.5 | 46% | 0.462 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.4 | -24.9 | 175.1 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | I1170 R1171 | I1170-S1174 WeakPolarHBondContact O-CB 3.47Å; I1170-S1174 PolarHBondContact O-N 3.24Å; I1170-S1174 PolarHBondContact O-OG 3.5Å; R1171-S1174 WeakPolarHBondContact CA-OG 3.4Å; R1171-S1174 PolarHBondContact O-N 3.11Å; R1171-S1174 PolarHBondContact O-OG 3.5Å |
| 1175 | L | 41.9 | Very low | 40.1 | Very low | 110 Ų | 110 | 113.9 Ų | 113.9 | 58% | 0.576 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.3 | -19.8 | 176.8 | -76.4 | 161.5 | 0 | 0 | 0 | 113 | R1171 L1172 L1173 | R1171-L1175 HydrophobicContact CG-CD1 4.41Å; R1171-L1175 WeakPolarHBondContact O-CD1 3.4Å; R1171-L1175 VanDerWaalsContact O-CG 3.27Å; R1171-L1175 WeakPolarHBondContact O-CG 3.41Å; R1171-L1175 PolarHBondContact O-N 2.95Å; R1171-L1175 VanDerWaalsContact O-N 3.1Å; L1172-L1175 PolarHBondContact O-N 2.81Å; L1173-L1175 VanDerWaalsContact C-N 3.28Å; L1173-L1175 PolarHBondContact O-N 3.32Å |
| 1176 | Q | 40.4 | Very low | 39.9 | Very low | 163 Ų | 163 | 115.9 Ų | 115.9 | 76% | 0.762 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -6.7 | 175.8 | -80.3 | -171.3 | -27.6 | 0 | 0 | 114.6 | L1172 L1173 | L1172-Q1176 PolarHBondContact O-N 3.4Å; L1173-Q1176 PolarHBondContact O-N 3.09Å |
| 1177 | R | 33.9 | Very low | 39.6 | Very low | 226 Ų | 226 | 120.9 Ų | 120.9 | 85% | 0.853 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -3.6 | 175.3 | -80.1 | -173.6 | 174.4 | 178 | -1.1 | 114.7 | ||
| 1178 | H | 32.7 | Very low | 39 | Very low | 173 Ų | 173 | 124.1 Ų | 124.1 | 80% | 0.801 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -132.1 | 86.2 | 175.9 | -73.2 | -53.1 | 0 | 0 | 0 | 110.4 | ||
| 1179 | G | 28.5 | Very low | 38.3 | Very low | 67 Ų | 67 | 128.3 Ų | 128.3 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | trans | 157.7 | 103.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1181 | G1179-C1181 PolarHBondContact O-N 3.29Š| ||
| 1180 | N | 27.4 | Very low | 37.9 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 90% | 0.904 | 70% | 0.704 | S | S | * | * | trans | -46.5 | 120.4 | 160.4 | -67.6 | -28.5 | 0 | 0 | 0 | 110.2 | ||||
| 1181 | C | 32.4 | Very low | 37.3 | Very low | 206 Ų | 206 | 137.2 Ų | 137.2 | 100% | 1.392 | 72% | 0.72 | S | S | * | * | trans | -169.3 | 0 | 147.3 | -98.8 | 0 | 0 | 0 | 0 | 108.6 | G1179 | G1179-C1181 PolarHBondContact O-N 3.29Š|
Retrieved 1,181 of 1,181 residues in 1857.9 ms
(Link to these results)