| 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 | 27.3 | Very low | 25.8 | Very low | 244 Ų | 244 | 129.5 Ų | 129.5 | 100% | 1.202 | 76% | 0.759 | S | S | * | * | 0 | 137.5 | 0 | -73.6 | 168.3 | 168.1 | 0 | 0 | 107.3 | |||||
| 2 | F | 26 | Very low | 25.9 | Very low | 219 Ų | 219 | 127.7 Ų | 127.7 | 96% | 0.961 | 75% | 0.751 | S | S | * | * | trans | -100.1 | 118.7 | -168.4 | -68.1 | -90.9 | 0 | 0 | 0 | 112.1 | ||||
| 3 | A | 27.5 | Very low | 26.1 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 173.7 | 123.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | S | 21.9 | Very low | 26.1 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -100.4 | 125.9 | 173.1 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | P | 27.5 | Very low | 26 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | trans | -84.2 | 113 | 164.5 | 32.1 | -28.7 | 0 | 0 | 0 | 109.3 | ||||
| 6 | S | 23.6 | Very low | 26.3 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | trans | -137.7 | 135.6 | 174.3 | 58.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | V | 25.4 | Very low | 26.8 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 69.8 | 99.6 | 178.7 | -166.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 8 | D | 24.9 | Very low | 27.3 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | trans | 176.8 | 34.1 | 135 | -97.5 | -10.7 | 0 | 0 | 0 | 113.6 | ||||
| 9 | S | 26.4 | Very low | 28.3 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -71.6 | -32 | 170.6 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 10 | D | 26.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -90.9 | -16.6 | -159.7 | -53.4 | -15.1 | 0 | 0 | 0 | 112.6 | V12 | D10-V12 VanDerWaalsContact C-N 3.35Š|
| 11 | V | 27.2 | Very low | 32.2 | Very low | 80 Ų | 80 | 120.9 Ų | 120.9 | 49% | 0.485 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -69.7 | -32.4 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | V13 | V11-V13 VanDerWaalsContact C-N 3.31Å; V11-V13 PolarHBondContact O-N 3.04Å |
| 12 | V | 27 | Very low | 34.6 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 66% | 0.655 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.3 | -27.8 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | D10 | D10-V12 VanDerWaalsContact C-N 3.35Å |
| 13 | V | 27.6 | Very low | 37 | Very low | 114 Ų | 114 | 107 Ų | 107 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.5 | -29.9 | -175.2 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | V11 | V11-V13 VanDerWaalsContact C-N 3.31Å; V11-V13 PolarHBondContact O-N 3.04Å |
| 14 | I | 26.2 | Very low | 39.2 | Very low | 126 Ų | 126 | 105 Ų | 105 | 65% | 0.646 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -81.4 | -27.7 | -171.5 | -63.1 | 178.4 | 0 | 0 | 0 | 112.7 | N16 S17 | I14-N16 PolarHBondContact O-N 3.36Å; I14-S17 PolarHBondContact O-OG 3.22Å |
| 15 | M | 25.1 | Very low | 41.5 | Very low | 146 Ų | 146 | 109 Ų | 109 | 72% | 0.719 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -73.7 | -14.5 | -174.9 | -73.6 | -162.8 | 171.1 | 0 | 0 | 115.9 | S17 | M15-S17 PolarHBondContact O-N 3.33Š|
| 16 | N | 30.3 | Very low | 43.6 | Very low | 101 Ų | 101 | 109.8 Ų | 109.8 | 54% | 0.54 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -75.5 | -5.3 | -179.4 | -78.1 | -20.5 | 0 | 0 | 0 | 114.5 | I14 R19 | I14-N16 PolarHBondContact O-N 3.36Å; N16-R19 VanDerWaalsContact OD1-CZ 3.32Å; N16-R19 PolarHBondContact OD1-NE 3.15Å; N16-R19 PolarHBondContact OD1-NH2 3.37Å |
| 17 | S | 34.7 | Very low | 46.1 | Very low | 97 Ų | 97 | 105.5 Ų | 105.5 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -85.2 | -10 | -179.8 | 60 | 0 | 0 | 0 | 0 | 115.2 | I14 M15 | I14-S17 PolarHBondContact O-OG 3.22Å; M15-S17 PolarHBondContact O-N 3.33Å |
| 18 | M | 36.9 | Very low | 48.2 | Very low | 171 Ų | 171 | 101.9 Ų | 101.9 | 84% | 0.842 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -134.1 | 33.3 | -178.8 | -73.7 | -163.5 | -76.2 | 0 | 0 | 113.9 | ||
| 19 | R | 44.8 | Very low | 50.3 | Low | 166 Ų | 166 | 99.1 Ų | 99.1 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | trans | -66.7 | 135.6 | 162.8 | -64 | -171.3 | -173.5 | -149 | 3 | 109.3 | N16 I21 | N16-R19 VanDerWaalsContact OD1-CZ 3.32Å; N16-R19 PolarHBondContact OD1-NE 3.15Å; N16-R19 PolarHBondContact OD1-NH2 3.37Å; R19-I21 PolarHBondContact O-N 3.39Å | ||
| 20 | N | 64.9 | Low | 52.4 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 34% | 0.342 | 51% | 0.513 | S | S | . | . | trans | -70.4 | 120.9 | 172.3 | -178.4 | 11.1 | 0 | 0 | 0 | 108.7 | E22 E23 E24 | N20-E22 PolarHBondContact O-N 2.86Å; N20-E22 PolarHBondContact OD1-N 3.01Å; N20-E23 PolarHBondContact ND2-OE1 3.36Å; N20-E23 CarbonylContact O-C 3.6Å; N20-E23 WeakPolarHBondContact O-CA 3.49Å; N20-E23 WeakPolarHBondContact O-CB 3.49Å; N20-E23 PolarHBondContact O-N 2.98Å; N20-E24 PolarHBondContact O-N 3.32Å | ||
| 21 | I | 75 | Confident | 54.7 | Low | 22 Ų | 22 | 97.6 Ų | 97.6 | 11% | 0.113 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -59.4 | -18.9 | 178.4 | -164.9 | -171.8 | 0 | 0 | 0 | 113.2 | R19 E23 E24 P27 Q31 H35 P364 | R19-I21 PolarHBondContact O-N 3.39Å; I21-E23 PolarHBondContact O-N 3.4Å; I21-E24 PolarHBondContact O-N 3.43Å; I21-P27 HydrophobicContact CD1-CB 4Å; I21-P27 HydrophobicContact CG1-CB 3.65Å; I21-P27 HydrophobicContact CG1-CG 4.18Å; I21-Q31 VanDerWaalsContact CD1-C 3.44Å; I21-Q31 HydrophobicContact CD1-CB 3.64Å; I21-Q31 VanDerWaalsContact CD1-O 3.28Å; I21-Q31 WeakPolarHBondContact CD1-O 3.38Å; I21-H35 HydrophobicContact CD1-CB 3.93Å; I21-H35 HydrophobicContact CG2-CB 4.04Å; I21-H35 WeakPolarHBondContact CG2-ND1 3.04Å; I21-P364 HydrophobicContact CD1-CG 4.07Å; I21-P364 HydrophobicContact CG1-CG 4.21Å |
| 22 | E | 77.5 | Confident | 57.2 | Low | 41 Ų | 41 | 94.9 Ų | 94.9 | 19% | 0.192 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -74.8 | 0.7 | 169.9 | -57.1 | -170.4 | 149.9 | 0 | 0 | 114.7 | N20 K39 A365 K368 | N20-E22 PolarHBondContact O-N 2.86Å; N20-E22 PolarHBondContact OD1-N 3.01Å; E22-K39 IonicContact OE1-NZ 3.21Å; E22-K39 PolarHBondContact OE1-NZ 3.42Å; E22-A365 WeakPolarHBondContact O-CA 3.42Å; E22-A365 WeakPolarHBondContact O-CB 3.49Å; E22-K368 HydrophobicContact CB-CD 3.65Å; E22-K368 HydrophobicContact CG-CD 4.26Å; E22-K368 WeakPolarHBondContact OE2-CD 3.33Å; E22-K368 VanDerWaalsContact OE2-CE 3.3Å; E22-K368 WeakPolarHBondContact OE2-CE 3.4Å; E22-K368 IonicContact OE2-NZ 2.83Å; E22-K368 PolarHBondContact OE2-NZ 2.97Å |
| 23 | E | 75.8 | Confident | 59.7 | Low | 131 Ų | 131 | 90.1 Ų | 90.1 | 61% | 0.612 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -131.1 | 8.2 | 178.5 | -74.2 | 135.6 | -133.1 | 0 | 0 | 111.3 | N20 I21 K368 | N20-E23 PolarHBondContact ND2-OE1 3.36Å; N20-E23 CarbonylContact O-C 3.6Å; N20-E23 WeakPolarHBondContact O-CA 3.49Å; N20-E23 WeakPolarHBondContact O-CB 3.49Å; N20-E23 PolarHBondContact O-N 2.98Å; I21-E23 PolarHBondContact O-N 3.4Å; E23-K368 IonicContact OE1-NZ 2.7Å; E23-K368 PolarHBondContact OE1-NZ 3.07Å |
| 24 | E | 74 | Confident | 62.2 | Low | 56 Ų | 56 | 86.2 Ų | 86.2 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | trans | -94 | 130.7 | 175.7 | -169.7 | 163.9 | -135 | 0 | 0 | 109.5 | N20 I21 P27 Q31 | N20-E24 PolarHBondContact O-N 3.32Å; I21-E24 PolarHBondContact O-N 3.43Å; E24-P27 HydrophobicContact CB-CB 4.32Å; E24-P27 HydrophobicContact CG-CB 4.03Å; E24-P27 WeakPolarHBondContact OE2-CB 3.47Å; E24-Q31 PolarHBondContact OE2-NE2 3.43Å | ||
| 25 | E | 69.9 | Low | 65 | Low | 187 Ų | 187 | 81.3 Ų | 81.3 | 87% | 0.874 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -78.9 | -43.2 | -171.8 | -63.9 | -171.9 | 142.7 | 0 | 0 | 112.9 | P27 | E25-P27 VanDerWaalsContact C-CD 3.44Š|
| 26 | D | 71.2 | Confident | 67.9 | Low | 150 Ų | 150 | 74.9 Ų | 74.9 | 80% | 0.802 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -126.7 | 67 | 178.2 | -170.2 | 25.2 | 0 | 0 | 0 | 111.8 | ||
| 27 | P | 76.2 | Confident | 70.5 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | trans | -73.2 | 139.3 | 177.1 | 29.5 | -33.3 | 0 | 0 | 0 | 111.1 | I21 E24 E25 M32 T363 | I21-P27 HydrophobicContact CD1-CB 4Å; I21-P27 HydrophobicContact CG1-CB 3.65Å; I21-P27 HydrophobicContact CG1-CG 4.18Å; E24-P27 HydrophobicContact CB-CB 4.32Å; E24-P27 HydrophobicContact CG-CB 4.03Å; E24-P27 WeakPolarHBondContact OE2-CB 3.47Å; E25-P27 VanDerWaalsContact C-CD 3.44Å; P27-M32 HydrophobicContact CB-CG 4.23Å; P27-M32 HydrophobicContact CG-CG 3.86Å; P27-M32 HydrophobicContact CG-SD 4.16Å; P27-T363 HydrophobicContact CG-CG2 4.33Å | ||
| 28 | S | 70.8 | Confident | 72.9 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | trans | -60.9 | 151.5 | -177.9 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | F30 Q31 M32 | S28-F30 PolarHBondContact O-N 3.02Å; S28-Q31 WeakPolarHBondContact O-CB 3.1Å; S28-Q31 PolarHBondContact O-N 2.72Å; S28-Q31 WeakPolarHBondContact OG-CG 3.19Å; S28-Q31 PolarHBondContact OG-OE1 3.12Å; S28-M32 PolarHBondContact O-N 3.45Å | ||
| 29 | Y | 69 | Low | 75.3 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 24% | 0.239 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.8 | -30.5 | -177.5 | -158.9 | -99 | 0 | 0 | 0 | 113.6 | M32 I33 A127 L128 L131 G360 | Y29-M32 HydrophobicContact CD2-CE 3.69Å; Y29-M32 HydrophobicContact CE2-CE 4.29Å; Y29-M32 HydrophobicContact CG-CE 4.48Å; Y29-I33 HydrophobicContact CD1-CD1 3.86Å; Y29-I33 HydrophobicContact CE1-CD1 3.53Å; Y29-I33 HydrophobicContact CE1-CG1 4.33Å; Y29-I33 WeakPolarHBondContact O-CG1 3.39Å; Y29-I33 PolarHBondContact O-N 2.62Å; Y29-A127 HydrophobicContact CD1-CB 4.32Å; Y29-L128 HydrophobicContact CD1-CD2 4.07Å; Y29-L128 HydrophobicContact CE1-CD2 3.62Å; Y29-L131 HydrophobicContact CE1-CD2 4.32Å; Y29-L131 WeakPolarHBondContact OH-CD2 3.06Å; Y29-G360 PolarHBondContact OH-N 2.81Å |
| 30 | F | 69.9 | Low | 77.4 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.6 | -49.4 | 173.1 | -179 | -99.5 | 0 | 0 | 0 | 112.3 | S28 M32 I33 D34 A127 | S28-F30 PolarHBondContact O-N 3.02Å; F30-M32 VanDerWaalsContact C-N 3.27Å; F30-M32 PolarHBondContact O-N 3.1Å; F30-I33 PolarHBondContact O-N 2.96Å; F30-D34 PolarHBondContact O-N 2.82Å; F30-A127 HydrophobicContact CB-CB 3.98Å; F30-A127 HydrophobicContact CD2-CB 3.97Å; F30-A127 HydrophobicContact CG-CB 4.49Å |
| 31 | Q | 74.7 | Confident | 78.4 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.2 | -39.9 | 177.5 | -70.3 | 163.2 | -87.4 | 0 | 0 | 111.3 | I21 E24 S28 H35 | I21-Q31 VanDerWaalsContact CD1-C 3.44Å; I21-Q31 HydrophobicContact CD1-CB 3.64Å; I21-Q31 VanDerWaalsContact CD1-O 3.28Å; I21-Q31 WeakPolarHBondContact CD1-O 3.38Å; E24-Q31 PolarHBondContact OE2-NE2 3.43Å; S28-Q31 WeakPolarHBondContact O-CB 3.1Å; S28-Q31 PolarHBondContact O-N 2.72Å; S28-Q31 WeakPolarHBondContact OG-CG 3.19Å; S28-Q31 PolarHBondContact OG-OE1 3.12Å; Q31-H35 VanDerWaalsContact O-CB 3.31Å; Q31-H35 WeakPolarHBondContact O-CB 3.33Å; Q31-H35 PolarHBondContact O-N 3.08Å |
| 32 | M | 80.2 | Confident | 79 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 177.2 | -66.3 | -160 | -78.2 | 0 | 0 | 112.7 | P27 S28 Y29 F30 F36 T363 P364 | P27-M32 HydrophobicContact CB-CG 4.23Å; P27-M32 HydrophobicContact CG-CG 3.86Å; P27-M32 HydrophobicContact CG-SD 4.16Å; S28-M32 PolarHBondContact O-N 3.45Å; Y29-M32 HydrophobicContact CD2-CE 3.69Å; Y29-M32 HydrophobicContact CE2-CE 4.29Å; Y29-M32 HydrophobicContact CG-CE 4.48Å; F30-M32 VanDerWaalsContact C-N 3.27Å; F30-M32 PolarHBondContact O-N 3.1Å; M32-F36 WeakPolarHBondContact O-CD2 3.31Å; M32-F36 PolarHBondContact O-N 3.09Å; M32-T363 HydrophobicContact SD-CG2 4.2Å; M32-P364 HydrophobicContact CG-CG 4.13Å |
| 33 | I | 78.7 | Confident | 79.6 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -49.3 | 178 | -69.4 | 168.6 | 0 | 0 | 0 | 110.8 | Y29 F30 H35 F36 L37 A127 L131 F134 | Y29-I33 HydrophobicContact CD1-CD1 3.86Å; Y29-I33 HydrophobicContact CE1-CD1 3.53Å; Y29-I33 HydrophobicContact CE1-CG1 4.33Å; Y29-I33 WeakPolarHBondContact O-CG1 3.39Å; Y29-I33 PolarHBondContact O-N 2.62Å; F30-I33 PolarHBondContact O-N 2.96Å; I33-H35 VanDerWaalsContact C-N 3.26Å; I33-H35 PolarHBondContact O-N 3.47Å; I33-F36 PolarHBondContact O-N 3.22Å; I33-L37 VanDerWaalsContact O-CB 3.22Å; I33-L37 WeakPolarHBondContact O-CB 3.43Å; I33-L37 PolarHBondContact O-N 3.11Å; I33-A127 HydrophobicContact CD1-CB 4.39Å; I33-A127 WeakPolarHBondContact CD1-O 3.32Å; I33-L131 HydrophobicContact CD1-CB 3.88Å; I33-L131 HydrophobicContact CD1-CD1 4.09Å; I33-L131 HydrophobicContact CG1-CD1 4.29Å; I33-F134 HydrophobicContact CG2-CE2 4.44Å |
| 34 | D | 80.4 | Confident | 80.1 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | -179.2 | 171.3 | 62.7 | 0 | 0 | 0 | 111.8 | F30 L37 K38 | F30-D34 PolarHBondContact O-N 2.82Å; D34-L37 PolarHBondContact O-N 2.9Å; D34-K38 VanDerWaalsContact O-CB 3.25Å; D34-K38 WeakPolarHBondContact O-CB 3.33Å; D34-K38 VanDerWaalsContact O-CG 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.47Å; D34-K38 PolarHBondContact O-N 2.69Å; D34-K38 WeakPolarHBondContact OD1-CD 3.43Å; D34-K38 WeakPolarHBondContact OD1-CE 3.42Å; D34-K38 IonicContact OD1-NZ 2.66Å; D34-K38 WeakPolarHBondContact OD2-CD 3.34Å; D34-K38 WeakPolarHBondContact OD2-CE 3.41Å; D34-K38 IonicContact OD2-NZ 2.98Å; D34-K38 PolarHBondContact OD2-NZ 3.1Å |
| 35 | H | 85 | Confident | 80.6 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -52 | 173.6 | 175.5 | 82.7 | 0 | 0 | 0 | 113.4 | I21 Q31 I33 K39 | I21-H35 HydrophobicContact CD1-CB 3.93Å; I21-H35 HydrophobicContact CG2-CB 4.04Å; I21-H35 WeakPolarHBondContact CG2-ND1 3.04Å; Q31-H35 VanDerWaalsContact O-CB 3.31Å; Q31-H35 WeakPolarHBondContact O-CB 3.33Å; Q31-H35 PolarHBondContact O-N 3.08Å; I33-H35 VanDerWaalsContact C-N 3.26Å; I33-H35 PolarHBondContact O-N 3.47Å; H35-K39 VanDerWaalsContact CE1-CE 3.45Å; H35-K39 WeakPolarHBondContact CE1-CE 3.41Å; H35-K39 PolarHBondContact CE1-NZ 3.23Å; H35-K39 VanDerWaalsContact CE1-NZ 3.26Å; H35-K39 VanDerWaalsContact NE2-CE 3.34Å; H35-K39 WeakPolarHBondContact NE2-CE 3.48Å; H35-K39 PolarHBondContact NE2-NZ 3.3Å; H35-K39 PolarHBondContact O-N 3.03Å; H35-K39 VanDerWaalsContact O-N 3.15Å |
| 36 | F | 86.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.044 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70 | -33.9 | 179.6 | -69.4 | -62.3 | 0 | 0 | 0 | 112.2 | M32 I33 K39 A40 P364 D367 R504 Y508 | M32-F36 WeakPolarHBondContact O-CD2 3.31Å; M32-F36 PolarHBondContact O-N 3.09Å; I33-F36 PolarHBondContact O-N 3.22Å; F36-K39 PolarHBondContact O-N 2.63Å; F36-A40 WeakPolarHBondContact O-CB 3.37Å; F36-A40 PolarHBondContact O-N 2.96Å; F36-P364 HydrophobicContact CE2-CG 4.15Å; F36-P364 HydrophobicContact CZ-CB 4.37Å; F36-P364 HydrophobicContact CZ-CG 4.31Å; F36-D367 HydrophobicContact CZ-CB 4.35Å; F36-R504 VanDerWaalsContact CE1-CD 3.45Å; F36-Y508 HydrophobicContact CB-CD1 4.27Å; F36-Y508 HydrophobicContact CB-CD2 3.8Å; F36-Y508 HydrophobicContact CB-CE1 4.12Å; F36-Y508 HydrophobicContact CB-CE2 3.64Å; F36-Y508 HydrophobicContact CB-CG 4.12Å; F36-Y508 HydrophobicContact CD2-CE2 4.43Å; F36-Y508 HydrophobicContact CG-CE2 4.21Å |
| 37 | L | 84 | Confident | 82 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 174.4 | -179.2 | 56.6 | 0 | 0 | 0 | 112.1 | I33 D34 K39 A40 C41 R74 F134 V512 | I33-L37 VanDerWaalsContact O-CB 3.22Å; I33-L37 WeakPolarHBondContact O-CB 3.43Å; I33-L37 PolarHBondContact O-N 3.11Å; D34-L37 PolarHBondContact O-N 2.9Å; L37-K39 VanDerWaalsContact C-N 3.32Å; L37-K39 PolarHBondContact O-N 3.37Å; L37-A40 PolarHBondContact O-N 3.08Å; L37-A40 VanDerWaalsContact O-N 3.14Å; L37-C41 PolarHBondContact O-N 2.75Å; L37-C41 PolarHBondContact O-SG 3.26Å; L37-C41 VanDerWaalsContact O-SG 3.33Å; L37-R74 HydrophobicContact CD2-CB 4.4Å; L37-R74 HydrophobicContact CD2-CG 3.72Å; L37-R74 HydrophobicContact CG-CG 4.08Å; L37-F134 HydrophobicContact CD1-CD1 4.37Å; L37-F134 HydrophobicContact CD1-CE1 3.58Å; L37-F134 HydrophobicContact CD1-CE2 4.2Å; L37-F134 HydrophobicContact CD1-CZ 3.5Å; L37-F134 VanDerWaalsContact CD1-CZ 3.5Å; L37-F134 HydrophobicContact CD2-CE1 4.37Å; L37-F134 HydrophobicContact CD2-CE2 3.76Å; L37-F134 HydrophobicContact CD2-CZ 3.44Å; L37-F134 VanDerWaalsContact CD2-CZ 3.44Å; L37-F134 HydrophobicContact CG-CZ 4.1Å; L37-V512 HydrophobicContact CD1-CG2 3.56Å |
| 38 | K | 85.6 | Confident | 82.3 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.8 | -45.1 | 174.4 | -80.3 | 168.4 | 170.9 | 164.8 | 0 | 111.7 | D34 A42 | D34-K38 VanDerWaalsContact O-CB 3.25Å; D34-K38 WeakPolarHBondContact O-CB 3.33Å; D34-K38 VanDerWaalsContact O-CG 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.47Å; D34-K38 PolarHBondContact O-N 2.69Å; D34-K38 WeakPolarHBondContact OD1-CD 3.43Å; D34-K38 WeakPolarHBondContact OD1-CE 3.42Å; D34-K38 IonicContact OD1-NZ 2.66Å; D34-K38 WeakPolarHBondContact OD2-CD 3.34Å; D34-K38 WeakPolarHBondContact OD2-CE 3.41Å; D34-K38 IonicContact OD2-NZ 2.98Å; D34-K38 PolarHBondContact OD2-NZ 3.1Å; K38-A42 WeakPolarHBondContact O-CB 3.46Å; K38-A42 PolarHBondContact O-N 2.75Å; K38-A42 VanDerWaalsContact O-N 3.1Å |
| 39 | K | 87.9 | Confident | 82.8 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 174.7 | -79.9 | 177.5 | 168.4 | 173.3 | 0 | 112.5 | E22 H35 F36 L37 A42 V43 L505 | E22-K39 IonicContact OE1-NZ 3.21Å; E22-K39 PolarHBondContact OE1-NZ 3.42Å; H35-K39 VanDerWaalsContact CE1-CE 3.45Å; H35-K39 WeakPolarHBondContact CE1-CE 3.41Å; H35-K39 PolarHBondContact CE1-NZ 3.23Å; H35-K39 VanDerWaalsContact CE1-NZ 3.26Å; H35-K39 VanDerWaalsContact NE2-CE 3.34Å; H35-K39 WeakPolarHBondContact NE2-CE 3.48Å; H35-K39 PolarHBondContact NE2-NZ 3.3Å; H35-K39 PolarHBondContact O-N 3.03Å; H35-K39 VanDerWaalsContact O-N 3.15Å; F36-K39 PolarHBondContact O-N 2.63Å; L37-K39 VanDerWaalsContact C-N 3.32Å; L37-K39 PolarHBondContact O-N 3.37Å; K39-A42 PolarHBondContact O-N 3.34Å; K39-V43 WeakPolarHBondContact O-CG2 3.45Å; K39-V43 PolarHBondContact O-N 2.95Å; K39-L505 HydrophobicContact CB-CD1 3.89Å |
| 40 | A | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F36 L37 A42 V43 V44 L505 V509 V512 | F36-A40 WeakPolarHBondContact O-CB 3.37Å; F36-A40 PolarHBondContact O-N 2.96Å; L37-A40 PolarHBondContact O-N 3.08Å; L37-A40 VanDerWaalsContact O-N 3.14Å; A40-A42 VanDerWaalsContact C-N 3.32Å; A40-A42 PolarHBondContact O-N 2.87Å; A40-V43 WeakPolarHBondContact O-CB 3.14Å; A40-V43 PolarHBondContact O-N 2.86Å; A40-V43 VanDerWaalsContact O-N 3.11Å; A40-V44 WeakPolarHBondContact O-CG2 3.48Å; A40-V44 PolarHBondContact O-N 3.35Å; A40-L505 HydrophobicContact CB-CD1 4.2Å; A40-V509 HydrophobicContact CB-CG2 3.91Å; A40-V512 HydrophobicContact CB-CG2 4.14Å |
| 41 | C | 86 | Confident | 83.6 | Confident | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.7 | -45.6 | 175.3 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | L37 V43 V44 E45 M70 | L37-C41 PolarHBondContact O-N 2.75Å; L37-C41 PolarHBondContact O-SG 3.26Å; L37-C41 VanDerWaalsContact O-SG 3.33Å; C41-V43 VanDerWaalsContact C-N 3.28Å; C41-V43 PolarHBondContact O-N 2.92Å; C41-V44 PolarHBondContact O-N 2.73Å; C41-V44 VanDerWaalsContact O-N 3.14Å; C41-E45 WeakPolarHBondContact O-CB 3.45Å; C41-E45 PolarHBondContact O-N 3.02Å; C41-M70 HydrophobicContact CB-CB 4.49Å; C41-M70 HydrophobicContact CB-CG 4.45Å; C41-M70 HydrophobicContact CB-SD 4.07Å |
| 42 | A | 87.4 | Confident | 83.7 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 61% | 0.612 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.4 | -28.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | K38 K39 A40 | K38-A42 WeakPolarHBondContact O-CB 3.46Å; K38-A42 PolarHBondContact O-N 2.75Å; K38-A42 VanDerWaalsContact O-N 3.1Å; K39-A42 PolarHBondContact O-N 3.34Å; A40-A42 VanDerWaalsContact C-N 3.32Å; A40-A42 PolarHBondContact O-N 2.87Å |
| 43 | V | 89 | Confident | 83.3 | Confident | 40 Ų | 40 | 51 Ų | 51 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73 | -37.7 | 173.4 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | K39 A40 C41 Y497 L499 L505 V509 | K39-V43 WeakPolarHBondContact O-CG2 3.45Å; K39-V43 PolarHBondContact O-N 2.95Å; A40-V43 WeakPolarHBondContact O-CB 3.14Å; A40-V43 PolarHBondContact O-N 2.86Å; A40-V43 VanDerWaalsContact O-N 3.11Å; C41-V43 VanDerWaalsContact C-N 3.28Å; C41-V43 PolarHBondContact O-N 2.92Å; V43-Y497 HydrophobicContact CG1-CD1 3.62Å; V43-Y497 HydrophobicContact CG1-CE1 4.33Å; V43-Y497 HydrophobicContact CG1-CG 3.81Å; V43-L499 HydrophobicContact CG1-CD2 4.35Å; V43-L505 HydrophobicContact CG2-CD2 4.44Å; V43-V509 HydrophobicContact CB-CG2 4.02Å; V43-V509 HydrophobicContact CG1-CG2 3.92Å |
| 44 | V | 87.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -96.2 | -17.8 | -172.2 | -59.5 | 0 | 0 | 0 | 0 | 115.4 | A40 C41 K46 P47 I48 M70 Y497 V509 V512 | A40-V44 WeakPolarHBondContact O-CG2 3.48Å; A40-V44 PolarHBondContact O-N 3.35Å; C41-V44 PolarHBondContact O-N 2.73Å; C41-V44 VanDerWaalsContact O-N 3.14Å; V44-K46 PolarHBondContact O-N 2.95Å; V44-P47 WeakPolarHBondContact O-CD 3.35Å; V44-I48 HydrophobicContact CB-CD1 3.74Å; V44-I48 HydrophobicContact CB-CG1 4.3Å; V44-I48 HydrophobicContact CG2-CD1 3.87Å; V44-I48 VanDerWaalsContact O-CB 3.31Å; V44-I48 WeakPolarHBondContact O-CB 3.5Å; V44-I48 VanDerWaalsContact O-CG1 3.32Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.39Å; V44-M70 HydrophobicContact CG2-CE 3.45Å; V44-M70 VanDerWaalsContact CG2-CE 3.45Å; V44-M70 HydrophobicContact CG2-SD 4.27Å; V44-Y497 HydrophobicContact CG1-CE1 4.16Å; V44-Y497 HydrophobicContact CG1-CE2 4.42Å; V44-V509 HydrophobicContact CG1-CB 4.39Å; V44-V509 HydrophobicContact CG1-CG1 3.72Å; V44-V509 HydrophobicContact CG1-CG2 4.29Å; V44-V512 HydrophobicContact CG2-CG1 3.8Å |
| 45 | E | 84.8 | Confident | 82.1 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -49.3 | -62.9 | -175.9 | -174.6 | -178.1 | 157.2 | 0 | 0 | 112.9 | C41 I48 E49 V66 Q67 | C41-E45 WeakPolarHBondContact O-CB 3.45Å; C41-E45 PolarHBondContact O-N 3.02Å; E45-I48 PolarHBondContact O-N 3.34Å; E45-E49 PolarHBondContact O-N 3.28Å; E45-V66 HydrophobicContact CB-CG1 4.47Å; E45-V66 HydrophobicContact CG-CG1 3.91Å; E45-Q67 HydrophobicContact CG-CG 4.48Å; E45-Q67 VanDerWaalsContact OE1-CG 3.26Å; E45-Q67 WeakPolarHBondContact OE1-CG 3.15Å; E45-Q67 PolarHBondContact OE1-NE2 3.05Å |
| 46 | K | 83.8 | Confident | 81.2 | Confident | 158 Ų | 158 | 65.5 Ų | 65.5 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -49.2 | 179.4 | -89.9 | -174.2 | -178.4 | -176 | 0 | 113.6 | V44 I48 E49 C50 | V44-K46 PolarHBondContact O-N 2.95Å; K46-I48 VanDerWaalsContact C-N 3.25Å; K46-I48 PolarHBondContact O-N 3.01Å; K46-E49 WeakPolarHBondContact O-CB 3.45Å; K46-E49 PolarHBondContact O-N 3.06Å; K46-C50 PolarHBondContact O-N 2.87Å; K46-C50 VanDerWaalsContact O-N 3.12Å; K46-C50 PolarHBondContact O-SG 3.3Å |
| 47 | P | 85.2 | Confident | 80.3 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.8 | -39.5 | 176.5 | -32.4 | 39.6 | 0 | 0 | 0 | 113.6 | V44 C50 E51 Y497 | V44-P47 WeakPolarHBondContact O-CD 3.35Å; P47-C50 PolarHBondContact O-N 3.03Å; P47-E51 PolarHBondContact O-N 3.12Å; P47-Y497 HydrophobicContact CB-CE1 3.96Å; P47-Y497 HydrophobicContact CG-CD1 4.5Å; P47-Y497 HydrophobicContact CG-CE1 3.89Å |
| 48 | I | 83.2 | Confident | 79.9 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.4 | -38.7 | 178.1 | -71.2 | 176.2 | 0 | 0 | 0 | 111.7 | V44 E45 K46 C50 E51 I52 V66 M70 E513 F516 | V44-I48 HydrophobicContact CB-CD1 3.74Å; V44-I48 HydrophobicContact CB-CG1 4.3Å; V44-I48 HydrophobicContact CG2-CD1 3.87Å; V44-I48 VanDerWaalsContact O-CB 3.31Å; V44-I48 WeakPolarHBondContact O-CB 3.5Å; V44-I48 VanDerWaalsContact O-CG1 3.32Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.39Å; E45-I48 PolarHBondContact O-N 3.34Å; K46-I48 VanDerWaalsContact C-N 3.25Å; K46-I48 PolarHBondContact O-N 3.01Å; I48-C50 PolarHBondContact O-N 3.48Å; I48-E51 PolarHBondContact O-N 3.17Å; I48-I52 PolarHBondContact O-N 3.45Å; I48-V66 HydrophobicContact CG2-CG1 4.45Å; I48-V66 HydrophobicContact CG2-CG2 4.15Å; I48-M70 HydrophobicContact CD1-CE 3.83Å; I48-E513 HydrophobicContact CD1-CG 4.46Å; I48-F516 HydrophobicContact CD1-CB 4.18Å; I48-F516 HydrophobicContact CD1-CD1 4.24Å; I48-F516 HydrophobicContact CD1-CD2 4.36Å; I48-F516 HydrophobicContact CD1-CG 3.99Å; I48-F516 HydrophobicContact CG2-CD1 3.48Å; I48-F516 VanDerWaalsContact CG2-CD1 3.48Å; I48-F516 HydrophobicContact CG2-CD2 4.23Å; I48-F516 HydrophobicContact CG2-CE1 3.17Å; I48-F516 HydrophobicContact CG2-CE2 3.92Å; I48-F516 HydrophobicContact CG2-CG 4.04Å; I48-F516 HydrophobicContact CG2-CZ 3.42Å; I48-F516 VanDerWaalsContact CG2-CZ 3.42Å |
| 49 | E | 80.8 | Confident | 79.6 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53.7 | -40.5 | 172 | -168.1 | -170.8 | 148.1 | 0 | 0 | 111.6 | E45 K46 R62 K63 V66 | E45-E49 PolarHBondContact O-N 3.28Å; K46-E49 WeakPolarHBondContact O-CB 3.45Å; K46-E49 PolarHBondContact O-N 3.06Å; E49-R62 HydrophobicContact CG-CB 4.28Å; E49-K63 HydrophobicContact CG-CB 4.42Å; E49-V66 HydrophobicContact CB-CG2 4.18Å |
| 50 | C | 79.3 | Confident | 79 | Confident | 109 Ų | 109 | 72.2 Ų | 72.2 | 74% | 0.736 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.9 | -24.6 | 175.5 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | K46 P47 I48 | K46-C50 PolarHBondContact O-N 2.87Å; K46-C50 VanDerWaalsContact O-N 3.12Å; K46-C50 PolarHBondContact O-SG 3.3Å; P47-C50 PolarHBondContact O-N 3.03Å; I48-C50 PolarHBondContact O-N 3.48Å |
| 51 | E | 77.8 | Confident | 78.2 | Confident | 75 Ų | 75 | 75 Ų | 75 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -79.9 | -17.8 | 177.8 | -77 | -165.1 | -137.2 | 0 | 0 | 113.4 | P47 I48 K53 K496 R517 | P47-E51 PolarHBondContact O-N 3.12Å; I48-E51 PolarHBondContact O-N 3.17Å; E51-K53 PolarHBondContact O-N 3.43Å; E51-K53 VanDerWaalsContact O-N 3.08Å; E51-K496 IonicContact OE1-NZ 2.7Å; E51-K496 PolarHBondContact OE1-NZ 3.47Å; E51-K496 VanDerWaalsContact OE1-NZ 3.16Å; E51-R517 IonicContact OE1-NH2 2.68Å; E51-R517 PolarHBondContact OE1-NH2 3.25Å; E51-R517 IonicContact OE2-CZ 3.89Å; E51-R517 IonicContact OE2-NH1 2.69Å; E51-R517 PolarHBondContact OE2-NH1 2.88Å; E51-R517 IonicContact OE2-NH2 2.95Å; E51-R517 PolarHBondContact OE2-NH2 3.02Å |
| 52 | I | 75.5 | Confident | 77.8 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 5% | 0.051 | 40% | 0.404 | C | S | . | . | trans | -69.5 | 105.3 | 176.9 | -65.4 | 169.3 | 0 | 0 | 0 | 109.9 | I48 D54 R62 L65 V66 L520 | I48-I52 PolarHBondContact O-N 3.45Å; I52-D54 HydrophobicContact CG2-CB 4.29Å; I52-R62 HydrophobicContact CB-CG 4.5Å; I52-R62 HydrophobicContact CG2-CG 4.04Å; I52-R62 PolarHBondContact O-NH1 2.89Å; I52-L65 HydrophobicContact CD1-CD2 4.32Å; I52-V66 HydrophobicContact CD1-CG2 3.55Å; I52-L520 HydrophobicContact CD1-CD1 4.33Å; I52-L520 HydrophobicContact CG1-CD1 4.48Å; I52-L520 HydrophobicContact CG1-CD2 4.3Å | ||
| 53 | K | 71.7 | Confident | 77.5 | Confident | 193 Ų | 193 | 78 Ų | 78 | 84% | 0.839 | 39% | 0.393 | S | S | * | . | trans | -86.1 | -4.3 | -177.2 | -70.9 | -178.2 | -178.3 | 177.3 | 0 | 115.3 | E51 K55 | E51-K53 PolarHBondContact O-N 3.43Å; E51-K53 VanDerWaalsContact O-N 3.08Å; K53-K55 PolarHBondContact O-N 3.3Å | ||
| 54 | D | 69.5 | Low | 76.9 | Confident | 80 Ų | 80 | 77.2 Ų | 77.2 | 43% | 0.428 | 39% | 0.386 | S | S | . | . | trans | -60.9 | 120.7 | -180 | -168.2 | -23.6 | 0 | 0 | 0 | 110.6 | I52 S56 L57 R62 | I52-D54 HydrophobicContact CG2-CB 4.29Å; D54-S56 WeakPolarHBondContact OD1-CB 3.42Å; D54-S56 PolarHBondContact OD1-N 3.14Å; D54-S56 PolarHBondContact OD1-OG 2.87Å; D54-S56 PolarHBondContact OD2-OG 3.08Å; D54-L57 HydrophobicContact CB-CD1 4.29Å; D54-L57 HydrophobicContact CB-CG 4.47Å; D54-R62 VanDerWaalsContact O-CZ 3.27Å; D54-R62 PolarHBondContact O-NH2 3.34Å | ||
| 55 | K | 65.8 | Low | 76.4 | Confident | 199 Ų | 199 | 78.1 Ų | 78.1 | 87% | 0.865 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -81.4 | -14.7 | -178.6 | -67.9 | -173 | 178.3 | -177.5 | 0 | 113.5 | K53 | K53-K55 PolarHBondContact O-N 3.3Š|
| 56 | S | 64.8 | Low | 76.3 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -72.9 | -32.9 | 176.2 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | D54 | D54-S56 WeakPolarHBondContact OD1-CB 3.42Å; D54-S56 PolarHBondContact OD1-N 3.14Å; D54-S56 PolarHBondContact OD1-OG 2.87Å; D54-S56 PolarHBondContact OD2-OG 3.08Å |
| 57 | L | 67.9 | Low | 76.1 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -84.6 | 121.6 | -178.9 | -60.8 | 175.4 | 0 | 0 | 0 | 111.6 | D54 E61 R62 L65 | D54-L57 HydrophobicContact CB-CD1 4.29Å; D54-L57 HydrophobicContact CB-CG 4.47Å; L57-E61 HydrophobicContact CB-CB 4.3Å; L57-E61 HydrophobicContact CD2-CB 4.07Å; L57-R62 HydrophobicContact CB-CG 3.76Å; L57-R62 PolarHBondContact O-NE 3.21Å; L57-R62 PolarHBondContact O-NH2 3.02Å; L57-R62 VanDerWaalsContact O-NH2 3.1Å; L57-L65 HydrophobicContact CD1-CD2 3.73Å |
| 58 | G | 76.2 | Confident | 75.7 | Confident | 28 Ų | 28 | 70.4 Ų | 70.4 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | trans | -69.7 | 165.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | R60 E61 R62 | G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.25Å; G58-E61 PolarHBondContact N-OE2 3.09Å; G58-E61 PolarHBondContact O-N 3.15Å; G58-R62 WeakPolarHBondContact O-CG 3.39Å; G58-R62 PolarHBondContact O-N 2.93Å | ||
| 59 | P | 78.7 | Confident | 75.5 | Confident | 103 Ų | 103 | 70 Ų | 70 | 67% | 0.669 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.2 | -42 | -176.9 | -27.2 | 35.3 | 0 | 0 | 0 | 113.8 | E61 R62 K63 | P59-E61 PolarHBondContact O-N 2.98Å; P59-R62 PolarHBondContact O-N 3.1Å; P59-K63 PolarHBondContact O-N 2.79Å |
| 60 | R | 76.2 | Confident | 75.5 | Confident | 169 Ų | 169 | 68.3 Ų | 68.3 | 64% | 0.638 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.9 | -45.1 | 176.2 | -178.9 | 176.8 | 175.4 | 172.9 | -0.9 | 112 | G58 K63 Q64 E611 | G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.25Å; R60-K63 PolarHBondContact O-N 3.24Å; R60-Q64 HydrophobicContact CG-CG 4.42Å; R60-Q64 VanDerWaalsContact O-CG 3.28Å; R60-Q64 WeakPolarHBondContact O-CG 3.24Å; R60-Q64 PolarHBondContact O-N 3.18Å; R60-Q64 PolarHBondContact O-OE1 2.87Å; R60-E611 IonicContact CZ-OE1 2.72Å; R60-E611 IonicContact NE-OE1 3.92Å; R60-E611 IonicContact NH2-OE1 2.75Å; R60-E611 PolarHBondContact NH2-OE1 3.1Å |
| 61 | E | 71.4 | Confident | 75.5 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | -179.7 | -63.8 | 179.2 | 100.2 | 0 | 0 | 112.1 | L57 G58 P59 K63 Q64 L65 R606 | L57-E61 HydrophobicContact CB-CB 4.3Å; L57-E61 HydrophobicContact CD2-CB 4.07Å; G58-E61 PolarHBondContact N-OE2 3.09Å; G58-E61 PolarHBondContact O-N 3.15Å; P59-E61 PolarHBondContact O-N 2.98Å; E61-K63 VanDerWaalsContact C-N 3.35Å; E61-Q64 PolarHBondContact O-N 3.47Å; E61-L65 VanDerWaalsContact O-CB 3.28Å; E61-L65 WeakPolarHBondContact O-CB 3.36Å; E61-L65 PolarHBondContact O-N 2.8Å; E61-R606 IonicContact OE1-NH2 3.76Å; E61-R606 PolarHBondContact OE1-NH2 3.03Å |
| 62 | R | 77.4 | Confident | 75.5 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 23% | 0.226 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 173.4 | -65.9 | -178.8 | -160.7 | -172.2 | 8.9 | 110.8 | E49 I52 D54 L57 G58 P59 L65 V66 | E49-R62 HydrophobicContact CG-CB 4.28Å; I52-R62 HydrophobicContact CB-CG 4.5Å; I52-R62 HydrophobicContact CG2-CG 4.04Å; I52-R62 PolarHBondContact O-NH1 2.89Å; D54-R62 VanDerWaalsContact O-CZ 3.27Å; D54-R62 PolarHBondContact O-NH2 3.34Å; L57-R62 HydrophobicContact CB-CG 3.76Å; L57-R62 PolarHBondContact O-NE 3.21Å; L57-R62 PolarHBondContact O-NH2 3.02Å; L57-R62 VanDerWaalsContact O-NH2 3.1Å; G58-R62 WeakPolarHBondContact O-CG 3.39Å; G58-R62 PolarHBondContact O-N 2.93Å; P59-R62 PolarHBondContact O-N 3.1Å; R62-L65 WeakPolarHBondContact O-CB 3.41Å; R62-L65 PolarHBondContact O-N 2.8Å; R62-V66 VanDerWaalsContact O-CG2 3.3Å; R62-V66 WeakPolarHBondContact O-CG2 3.44Å; R62-V66 PolarHBondContact O-N 2.85Å |
| 63 | K | 80.9 | Confident | 75.7 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 176.5 | -175.1 | 175.8 | 175.2 | -176.2 | 0 | 112 | E49 P59 R60 E61 L65 V66 Q67 | E49-K63 HydrophobicContact CG-CB 4.42Å; P59-K63 PolarHBondContact O-N 2.79Å; R60-K63 PolarHBondContact O-N 3.24Å; E61-K63 VanDerWaalsContact C-N 3.35Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 3.02Å; K63-V66 PolarHBondContact O-N 3.48Å; K63-Q67 HydrophobicContact CG-CG 4.19Å; K63-Q67 WeakPolarHBondContact O-CB 3.25Å; K63-Q67 WeakPolarHBondContact O-CG 3.49Å; K63-Q67 PolarHBondContact O-N 3Å |
| 64 | Q | 76.3 | Confident | 76.1 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 176.6 | -71 | 161.2 | -31 | 0 | 0 | 111.5 | R60 E61 G68 E611 F612 | R60-Q64 HydrophobicContact CG-CG 4.42Å; R60-Q64 VanDerWaalsContact O-CG 3.28Å; R60-Q64 WeakPolarHBondContact O-CG 3.24Å; R60-Q64 PolarHBondContact O-N 3.18Å; R60-Q64 PolarHBondContact O-OE1 2.87Å; E61-Q64 PolarHBondContact O-N 3.47Å; Q64-G68 PolarHBondContact O-N 3.45Å; Q64-E611 HydrophobicContact CG-CG 3.94Å; Q64-E611 PolarHBondContact NE2-OE1 2.7Å; Q64-F612 HydrophobicContact CB-CD2 4.28Å; Q64-F612 HydrophobicContact CB-CE2 4.42Å; Q64-F612 WeakPolarHBondContact O-CD2 3.49Å |
| 65 | L | 77.6 | Confident | 76.5 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.4 | -179.8 | 68.8 | 0 | 0 | 0 | 111.7 | I52 L57 E61 R62 K63 I69 L520 N526 F612 | I52-L65 HydrophobicContact CD1-CD2 4.32Å; L57-L65 HydrophobicContact CD1-CD2 3.73Å; E61-L65 VanDerWaalsContact O-CB 3.28Å; E61-L65 WeakPolarHBondContact O-CB 3.36Å; E61-L65 PolarHBondContact O-N 2.8Å; R62-L65 WeakPolarHBondContact O-CB 3.41Å; R62-L65 PolarHBondContact O-N 2.8Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 3.02Å; L65-I69 HydrophobicContact CD1-CD1 4.2Å; L65-I69 HydrophobicContact CG-CD1 4.18Å; L65-I69 WeakPolarHBondContact O-CG1 3.42Å; L65-I69 PolarHBondContact O-N 2.87Å; L65-L520 HydrophobicContact CD2-CD1 3.86Å; L65-L520 HydrophobicContact CG-CD1 4.43Å; L65-N526 VanDerWaalsContact CD1-ND2 3.34Å; L65-N526 WeakPolarHBondContact CD1-ND2 3.3Å; L65-N526 PolarHBondContact O-ND2 2.95Å; L65-F612 HydrophobicContact CB-CE2 3.98Å; L65-F612 HydrophobicContact CD1-CE2 4.13Å; L65-F612 HydrophobicContact CD1-CZ 3.94Å |
| 66 | V | 82 | Confident | 77.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -55.4 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | E45 I48 E49 I52 R62 K63 G68 I69 M70 F516 | E45-V66 HydrophobicContact CB-CG1 4.47Å; E45-V66 HydrophobicContact CG-CG1 3.91Å; I48-V66 HydrophobicContact CG2-CG1 4.45Å; I48-V66 HydrophobicContact CG2-CG2 4.15Å; E49-V66 HydrophobicContact CB-CG2 4.18Å; I52-V66 HydrophobicContact CD1-CG2 3.55Å; R62-V66 VanDerWaalsContact O-CG2 3.3Å; R62-V66 WeakPolarHBondContact O-CG2 3.44Å; R62-V66 PolarHBondContact O-N 2.85Å; K63-V66 PolarHBondContact O-N 3.48Å; V66-G68 PolarHBondContact O-N 2.85Å; V66-I69 PolarHBondContact O-N 3.1Å; V66-I69 VanDerWaalsContact O-N 3.12Å; V66-M70 HydrophobicContact CG1-CE 4.13Å; V66-M70 HydrophobicContact CG1-CG 4.3Å; V66-M70 VanDerWaalsContact O-CG 3.28Å; V66-M70 WeakPolarHBondContact O-CG 3.49Å; V66-M70 PolarHBondContact O-N 3.33Å; V66-F516 HydrophobicContact CB-CE2 4.19Å; V66-F516 HydrophobicContact CB-CZ 4.15Å; V66-F516 HydrophobicContact CG1-CE2 3.87Å; V66-F516 HydrophobicContact CG1-CZ 4.19Å; V66-F516 HydrophobicContact CG2-CE2 4.32Å; V66-F516 HydrophobicContact CG2-CZ 3.81Å |
| 67 | Q | 81.1 | Confident | 78.5 | Confident | 85 Ų | 85 | 39.6 Ų | 39.6 | 40% | 0.397 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.2 | -37.9 | -179 | -70.5 | -169.4 | -35.1 | 0 | 0 | 111.6 | E45 K63 A71 | E45-Q67 HydrophobicContact CG-CG 4.48Å; E45-Q67 VanDerWaalsContact OE1-CG 3.26Å; E45-Q67 WeakPolarHBondContact OE1-CG 3.15Å; E45-Q67 PolarHBondContact OE1-NE2 3.05Å; K63-Q67 HydrophobicContact CG-CG 4.19Å; K63-Q67 WeakPolarHBondContact O-CB 3.25Å; K63-Q67 WeakPolarHBondContact O-CG 3.49Å; K63-Q67 PolarHBondContact O-N 3Å; Q67-A71 WeakPolarHBondContact O-CB 3.41Å; Q67-A71 PolarHBondContact O-N 3.23Å |
| 68 | G | 75.1 | Confident | 79.6 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.7 | -63.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q64 V66 M70 A71 Q72 N526 | Q64-G68 PolarHBondContact O-N 3.45Å; V66-G68 PolarHBondContact O-N 2.85Å; G68-M70 PolarHBondContact O-N 2.92Å; G68-A71 WeakPolarHBondContact O-CA 3.35Å; G68-A71 PolarHBondContact O-N 2.88Å; G68-Q72 PolarHBondContact O-N 2.77Å; G68-N526 WeakPolarHBondContact O-CB 3.44Å |
| 69 | I | 78.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.6 | -43 | -176.3 | -70.1 | 167.3 | 0 | 0 | 0 | 109.9 | L65 V66 A71 Q72 I73 F516 A519 L520 N526 | L65-I69 HydrophobicContact CD1-CD1 4.2Å; L65-I69 HydrophobicContact CG-CD1 4.18Å; L65-I69 WeakPolarHBondContact O-CG1 3.42Å; L65-I69 PolarHBondContact O-N 2.87Å; V66-I69 PolarHBondContact O-N 3.1Å; V66-I69 VanDerWaalsContact O-N 3.12Å; I69-A71 PolarHBondContact O-N 3.39Å; I69-Q72 PolarHBondContact O-N 2.76Å; I69-I73 HydrophobicContact CG2-CD1 3.59Å; I69-I73 HydrophobicContact CG2-CG1 4.26Å; I69-I73 WeakPolarHBondContact O-CB 3.33Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 2.83Å; I69-F516 HydrophobicContact CB-CD2 3.86Å; I69-F516 HydrophobicContact CB-CE2 3.46Å; I69-F516 VanDerWaalsContact CB-CE2 3.46Å; I69-F516 HydrophobicContact CB-CZ 4.03Å; I69-F516 HydrophobicContact CD1-CE1 3.93Å; I69-F516 HydrophobicContact CD1-CE2 3.9Å; I69-F516 HydrophobicContact CD1-CZ 3.5Å; I69-F516 HydrophobicContact CG1-CE2 4.23Å; I69-F516 HydrophobicContact CG1-CZ 4.31Å; I69-F516 HydrophobicContact CG2-CB 4.47Å; I69-F516 HydrophobicContact CG2-CD2 3.32Å; I69-F516 HydrophobicContact CG2-CE2 3.5Å; I69-F516 VanDerWaalsContact CG2-CE2 3.5Å; I69-F516 HydrophobicContact CG2-CG 3.93Å; I69-F516 HydrophobicContact CG2-CZ 4.19Å; I69-A519 HydrophobicContact CG2-CB 3.67Å; I69-L520 HydrophobicContact CD1-CB 4.23Å; I69-L520 HydrophobicContact CD1-CD1 3.89Å; I69-N526 WeakPolarHBondContact CA-OD1 3.1Å; I69-N526 WeakPolarHBondContact CG1-OD1 3.31Å |
| 70 | M | 81.9 | Confident | 81.2 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.3 | -28.3 | 176.1 | -66 | -60.2 | 176.5 | 0 | 0 | 113.7 | C41 V44 I48 V66 G68 R74 V512 F516 | C41-M70 HydrophobicContact CB-CB 4.49Å; C41-M70 HydrophobicContact CB-CG 4.45Å; C41-M70 HydrophobicContact CB-SD 4.07Å; V44-M70 HydrophobicContact CG2-CE 3.45Å; V44-M70 VanDerWaalsContact CG2-CE 3.45Å; V44-M70 HydrophobicContact CG2-SD 4.27Å; I48-M70 HydrophobicContact CD1-CE 3.83Å; V66-M70 HydrophobicContact CG1-CE 4.13Å; V66-M70 HydrophobicContact CG1-CG 4.3Å; V66-M70 VanDerWaalsContact O-CG 3.28Å; V66-M70 WeakPolarHBondContact O-CG 3.49Å; V66-M70 PolarHBondContact O-N 3.33Å; G68-M70 PolarHBondContact O-N 2.92Å; M70-R74 WeakPolarHBondContact O-CG 3.11Å; M70-R74 PolarHBondContact O-NE 3.12Å; M70-V512 HydrophobicContact CE-CG1 4.25Å; M70-V512 HydrophobicContact SD-CG1 3.66Å; M70-F516 HydrophobicContact CE-CD2 3.37Å; M70-F516 HydrophobicContact CE-CE2 3.77Å; M70-F516 HydrophobicContact CE-CG 4.23Å; M70-F516 HydrophobicContact CG-CD2 4.43Å; M70-F516 HydrophobicContact CG-CE2 4.42Å; M70-F516 HydrophobicContact SD-CD2 3.92Å; M70-F516 HydrophobicContact SD-CE2 4.45Å |
| 71 | A | 78.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -89 | -32.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q67 G68 I69 I73 R74 S527 | Q67-A71 WeakPolarHBondContact O-CB 3.41Å; Q67-A71 PolarHBondContact O-N 3.23Å; G68-A71 WeakPolarHBondContact O-CA 3.35Å; G68-A71 PolarHBondContact O-N 2.88Å; I69-A71 PolarHBondContact O-N 3.39Å; A71-I73 VanDerWaalsContact C-N 3.32Å; A71-I73 PolarHBondContact O-N 2.99Å; A71-R74 PolarHBondContact O-N 3.34Å; A71-S527 CarbonylContact C-O 3.53Å; A71-S527 WeakPolarHBondContact CA-O 3.23Å; A71-S527 WeakPolarHBondContact CB-O 3.42Å |
| 72 | Q | 78 | Confident | 83.2 | Confident | 22 Ų | 22 | 22.5 Ų | 22.5 | 10% | 0.103 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 165.3 | -167.2 | -173.8 | 4.1 | 0 | 0 | 111.6 | G68 I69 R74 C75 S527 | G68-Q72 PolarHBondContact O-N 2.77Å; I69-Q72 PolarHBondContact O-N 2.76Å; Q72-R74 PolarHBondContact O-N 2.76Å; Q72-R74 VanDerWaalsContact O-N 3.16Å; Q72-C75 PolarHBondContact O-N 2.86Å; Q72-S527 WeakPolarHBondContact CB-OG 3.19Å; Q72-S527 PolarHBondContact N-O 3.42Å |
| 73 | I | 80.7 | Confident | 83.9 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | 178.6 | -71.5 | 169.3 | 0 | 0 | 0 | 113.2 | I69 A71 H103 F134 I515 F516 | I69-I73 HydrophobicContact CG2-CD1 3.59Å; I69-I73 HydrophobicContact CG2-CG1 4.26Å; I69-I73 WeakPolarHBondContact O-CB 3.33Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 2.83Å; A71-I73 VanDerWaalsContact C-N 3.32Å; A71-I73 PolarHBondContact O-N 2.99Å; I73-H103 PolarHBondContact O-CE1 2.99Å; I73-H103 PolarHBondContact O-NE2 3.21Å; I73-F134 HydrophobicContact CG2-CE1 3.83Å; I73-F134 HydrophobicContact CG2-CZ 4.18Å; I73-I515 HydrophobicContact CD1-CB 4.29Å; I73-I515 HydrophobicContact CD1-CG2 3.57Å; I73-I515 HydrophobicContact CG1-CG2 3.61Å; I73-I515 HydrophobicContact CG2-CG2 4.23Å; I73-F516 HydrophobicContact CD1-CB 4.31Å |
| 74 | R | 80.5 | Confident | 84.5 | Confident | 72 Ų | 72 | 15.6 Ų | 15.6 | 27% | 0.272 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -15.1 | 178.1 | -72.9 | -178 | -66 | 142.2 | 2.4 | 114.2 | L37 M70 A71 Q72 | L37-R74 HydrophobicContact CD2-CB 4.4Å; L37-R74 HydrophobicContact CD2-CG 3.72Å; L37-R74 HydrophobicContact CG-CG 4.08Å; M70-R74 WeakPolarHBondContact O-CG 3.11Å; M70-R74 PolarHBondContact O-NE 3.12Å; A71-R74 PolarHBondContact O-N 3.34Å; Q72-R74 PolarHBondContact O-N 2.76Å; Q72-R74 VanDerWaalsContact O-N 3.16Å |
| 75 | C | 77.5 | Confident | 85.2 | Confident | 19 Ų | 19 | 15.2 Ų | 15.2 | 13% | 0.128 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -112.1 | 137.2 | -170.7 | -73.2 | 0 | 0 | 0 | 0 | 112 | Q72 S77 I614 | Q72-C75 PolarHBondContact O-N 2.86Å; C75-S77 PolarHBondContact O-N 2.81Å; C75-S77 VanDerWaalsContact O-N 3.15Å; C75-I614 HydrophobicContact CB-CD1 3.55Å; C75-I614 WeakPolarHBondContact SG-CD1 3.4Å |
| 76 | P | 85.8 | Confident | 85.8 | Confident | 20 Ų | 20 | 14.4 Ų | 14.4 | 13% | 0.13 | 7% | 0.072 | C | C | . | . | trans | -72.7 | 110.5 | -179.7 | 28.8 | -33 | 0 | 0 | 0 | 110.8 | K78 V79 C101 K126 S602 | P76-K78 PolarHBondContact O-N 2.7Å; P76-V79 HydrophobicContact CB-CG2 4.3Å; P76-V79 HydrophobicContact CG-CG2 4.37Å; P76-C101 VanDerWaalsContact CB-SG 3.53Å; P76-K126 HydrophobicContact CB-CG 4.47Å; P76-K126 HydrophobicContact CG-CB 4.49Å; P76-K126 HydrophobicContact CG-CD 4.18Å; P76-K126 HydrophobicContact CG-CG 4.03Å; P76-S602 PolarHBondContact O-OG 3.4Å | ||
| 77 | S | 86.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 16.4 Ų | 16.4 | 10% | 0.098 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -43.6 | -40.9 | -175.8 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | C75 Q102 H103 S104 S602 | C75-S77 PolarHBondContact O-N 2.81Å; C75-S77 VanDerWaalsContact O-N 3.15Å; S77-Q102 PolarHBondContact N-O 3.47Å; S77-H103 WeakPolarHBondContact CB-O 3.49Å; S77-H103 PolarHBondContact N-O 3.41Å; S77-H103 PolarHBondContact OG-O 2.67Å; S77-S104 WeakPolarHBondContact OG-CA 3.5Å; S77-S602 PolarHBondContact O-N 3.12Å |
| 78 | K | 90 | Very high | 86.5 | Confident | 3 Ų | 3 | 14.5 Ų | 14.5 | 1% | 0.013 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 153 | 168.8 | 49.9 | -177.5 | 149 | -101.3 | 0 | 114.1 | P76 Q102 E105 F178 L599 H600 V601 E691 K695 | P76-K78 PolarHBondContact O-N 2.7Å; K78-Q102 HydrophobicContact CG-CB 4.11Å; K78-Q102 PolarHBondContact N-O 3.29Å; K78-Q102 VanDerWaalsContact N-O 3.1Å; K78-Q102 PolarHBondContact O-N 3.07Å; K78-E105 WeakPolarHBondContact CE-OE1 3.33Å; K78-E105 WeakPolarHBondContact CE-OE2 3.49Å; K78-E105 IonicContact NZ-OE1 2.68Å; K78-E105 PolarHBondContact NZ-OE1 3.06Å; K78-E105 IonicContact NZ-OE2 2.67Å; K78-E105 PolarHBondContact NZ-OE2 3.18Å; K78-F178 HydrophobicContact CB-CZ 4.19Å; K78-F178 HydrophobicContact CD-CE1 4.36Å; K78-F178 HydrophobicContact CD-CE2 4.24Å; K78-F178 HydrophobicContact CD-CZ 3.7Å; K78-F178 HydrophobicContact CG-CE1 4.12Å; K78-F178 HydrophobicContact CG-CZ 3.75Å; K78-L599 HydrophobicContact CB-CD1 4.29Å; K78-H600 CarbonylContact C-O 3.55Å; K78-H600 WeakPolarHBondContact CA-O 3.4Å; K78-H600 VanDerWaalsContact CB-O 3.25Å; K78-H600 WeakPolarHBondContact CB-O 3.36Å; K78-V601 HydrophobicContact CB-CG1 4.04Å; K78-E691 IonicContact NZ-OE2 3.77Å; K78-K695 HydrophobicContact CD-CD 4.25Å |
| 79 | V | 92.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.3 | 175.3 | -170.5 | 0 | 0 | 0 | 0 | 109 | P76 C101 E122 K126 H600 | P76-V79 HydrophobicContact CB-CG2 4.3Å; P76-V79 HydrophobicContact CG-CG2 4.37Å; V79-C101 HydrophobicContact CG1-CB 4.4Å; V79-C101 HydrophobicContact CG2-CB 4.15Å; V79-E122 HydrophobicContact CG1-CG 3.94Å; V79-K126 HydrophobicContact CG2-CG 3.97Å; V79-H600 HydrophobicContact CB-CB 4.35Å; V79-H600 PolarHBondContact N-O 3.36Å; V79-H600 PolarHBondContact O-N 3.08Å |
| 80 | L | 95.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.6 | 173.2 | 174.6 | 70.4 | 0 | 0 | 0 | 109.5 | V82 W99 R100 F173 K176 F178 V598 F697 | L80-V82 HydrophobicContact CD1-CG1 4.12Å; L80-V82 HydrophobicContact CD2-CG1 3.91Å; L80-V82 HydrophobicContact CG-CG1 3.86Å; L80-W99 CarbonylContact O-C 3.58Å; L80-W99 VanDerWaalsContact O-CA 3.29Å; L80-W99 WeakPolarHBondContact O-CA 3.4Å; L80-R100 PolarHBondContact N-O 3.21Å; L80-R100 PolarHBondContact O-N 3.34Å; L80-F173 HydrophobicContact CD2-CD1 4.19Å; L80-K176 HydrophobicContact CD1-CG 4.5Å; L80-K176 HydrophobicContact CD2-CB 3.76Å; L80-K176 HydrophobicContact CD2-CG 4.19Å; L80-F178 HydrophobicContact CB-CD1 4.34Å; L80-F178 HydrophobicContact CB-CD2 3.88Å; L80-F178 HydrophobicContact CB-CE1 4.03Å; L80-F178 HydrophobicContact CB-CE2 3.56Å; L80-F178 HydrophobicContact CB-CG 4.26Å; L80-F178 HydrophobicContact CB-CZ 3.62Å; L80-F178 HydrophobicContact CD2-CB 4.35Å; L80-F178 HydrophobicContact CD2-CD2 3.6Å; L80-F178 HydrophobicContact CD2-CE2 4.05Å; L80-F178 HydrophobicContact CD2-CG 4.05Å; L80-F178 HydrophobicContact CG-CD2 4.33Å; L80-F178 HydrophobicContact CG-CE2 4.32Å; L80-V598 WeakPolarHBondContact CA-O 3.13Å; L80-F697 HydrophobicContact CD1-CE2 4.15Å; L80-F697 HydrophobicContact CD1-CZ 4.11Å |
| 81 | Y | 95.8 | Very high | 87.6 | Confident | 21 Ų | 21 | 24.2 Ų | 24.2 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 140.8 | 159.8 | 172.5 | -101.3 | 0 | 0 | 0 | 109.8 | C83 E97 A98 W99 P595 K597 V598 | Y81-C83 HydrophobicContact CE1-CB 3.91Å; Y81-E97 HydrophobicContact CE2-CB 4.06Å; Y81-E97 HydrophobicContact CE2-CG 4.25Å; Y81-E97 WeakPolarHBondContact CE2-OE2 3.4Å; Y81-E97 WeakPolarHBondContact OH-CG 3.44Å; Y81-E97 PolarHBondContact OH-OE2 2.96Å; Y81-A98 WeakPolarHBondContact CA-O 3.16Å; Y81-W99 HydrophobicContact CD2-CD2 4.14Å; Y81-W99 AromaticContact CD2-CE2 3.46Å; Y81-W99 VanDerWaalsContact CD2-CE2 3.46Å; Y81-W99 HydrophobicContact CD2-CH2 4.18Å; Y81-W99 AromaticContact CD2-CZ2 3.52Å; Y81-W99 HydrophobicContact CD2-CZ2 3.52Å; Y81-W99 AromaticContact CD2-NE1 3.54Å; Y81-W99 AromaticContact CE2-CE2 3.92Å; Y81-W99 AromaticContact CE2-CH2 3.81Å; Y81-W99 HydrophobicContact CE2-CH2 3.81Å; Y81-W99 AromaticContact CE2-CZ2 3.44Å; Y81-W99 HydrophobicContact CE2-CZ2 3.44Å; Y81-W99 VanDerWaalsContact CE2-CZ2 3.44Å; Y81-P595 HydrophobicContact CE1-CG 4.05Å; Y81-P595 WeakPolarHBondContact CE1-O 3.43Å; Y81-K597 WeakPolarHBondContact O-CA 3.33Å; Y81-V598 HydrophobicContact CD1-CB 4.48Å; Y81-V598 HydrophobicContact CD1-CG2 4.15Å; Y81-V598 PolarHBondContact N-O 2.9Å; Y81-V598 PolarHBondContact O-N 3.44Å |
| 82 | V | 94.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.8 | 167.8 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | L80 F84 A98 L169 E172 F173 N596 K597 | L80-V82 HydrophobicContact CD1-CG1 4.12Å; L80-V82 HydrophobicContact CD2-CG1 3.91Å; L80-V82 HydrophobicContact CG-CG1 3.86Å; V82-F84 HydrophobicContact CG2-CD1 4.32Å; V82-F84 HydrophobicContact CG2-CE1 4.27Å; V82-A98 HydrophobicContact CG2-CB 3.92Å; V82-A98 PolarHBondContact N-O 2.78Å; V82-A98 PolarHBondContact O-N 2.6Å; V82-L169 HydrophobicContact CG2-CD1 4.2Å; V82-E172 HydrophobicContact CG1-CB 4.18Å; V82-F173 HydrophobicContact CG2-CE1 4.1Å; V82-N596 WeakPolarHBondContact CA-O 3.36Å; V82-K597 HydrophobicContact CG1-CD 4.48Å; V82-K597 HydrophobicContact CG1-CG 4.21Å |
| 83 | C | 93 | Very high | 88.1 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.5 | 169.1 | -161.8 | 0 | 0 | 0 | 0 | 109.4 | Y81 M95 I96 V594 P595 N596 | Y81-C83 HydrophobicContact CE1-CB 3.91Å; C83-M95 WeakPolarHBondContact SG-CE 3.35Å; C83-I96 WeakPolarHBondContact CA-O 3.26Å; C83-V594 HydrophobicContact CB-CG2 4.4Å; C83-P595 WeakPolarHBondContact CB-O 3.45Å; C83-N596 PolarHBondContact N-O 2.82Å |
| 84 | F | 92.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.2 | 177.7 | 56.9 | -96.9 | 0 | 0 | 0 | 112.5 | V82 I86 I96 I165 R168 L169 E172 | V82-F84 HydrophobicContact CG2-CD1 4.32Å; V82-F84 HydrophobicContact CG2-CE1 4.27Å; F84-I86 HydrophobicContact CD2-CG2 4.26Å; F84-I86 HydrophobicContact CE2-CG2 4.16Å; F84-I96 HydrophobicContact CD2-CB 4.16Å; F84-I96 HydrophobicContact CE1-CG2 4.49Å; F84-I96 HydrophobicContact CE2-CB 3.82Å; F84-I96 HydrophobicContact CE2-CG1 4.19Å; F84-I96 HydrophobicContact CE2-CG2 4.06Å; F84-I96 HydrophobicContact CZ-CB 4.09Å; F84-I96 HydrophobicContact CZ-CG2 3.87Å; F84-I96 PolarHBondContact N-O 3.22Å; F84-I96 VanDerWaalsContact N-O 3.12Å; F84-I96 PolarHBondContact O-N 2.88Å; F84-I165 HydrophobicContact CZ-CG2 4.42Å; F84-R168 HydrophobicContact CB-CG 4.3Å; F84-R168 HydrophobicContact CD1-CG 4.21Å; F84-R168 HydrophobicContact CD2-CB 4.07Å; F84-R168 HydrophobicContact CD2-CG 3.52Å; F84-R168 HydrophobicContact CE1-CG 4.44Å; F84-R168 HydrophobicContact CE2-CB 3.83Å; F84-R168 HydrophobicContact CE2-CG 3.78Å; F84-R168 HydrophobicContact CG-CG 3.75Å; F84-R168 HydrophobicContact CZ-CB 4.24Å; F84-R168 HydrophobicContact CZ-CG 4.24Å; F84-L169 HydrophobicContact CE1-CB 4.33Å; F84-L169 HydrophobicContact CE1-CD1 3.95Å; F84-L169 HydrophobicContact CZ-CB 4.15Å; F84-L169 HydrophobicContact CZ-CD1 4.36Å; F84-E172 HydrophobicContact CD1-CG 4.43Å |
| 85 | P | 91.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 148.8 | 177.7 | 31.4 | -34.6 | 0 | 0 | 0 | 112.4 | E94 M95 Y591 F1040 T1041 | P85-E94 CarbonylContact C-O 3.53Å; P85-E94 WeakPolarHBondContact CA-O 3.35Å; P85-M95 HydrophobicContact CB-CE 4.33Å; P85-M95 HydrophobicContact CB-SD 3.77Å; P85-Y591 HydrophobicContact CG-CD1 4.02Å; P85-Y591 HydrophobicContact CG-CE1 3.9Å; P85-Y591 HydrophobicContact CG-CG 4.48Å; P85-F1040 HydrophobicContact CB-CD1 4.1Å; P85-F1040 HydrophobicContact CB-CE1 3.33Å; P85-F1040 HydrophobicContact CB-CZ 3.69Å; P85-F1040 HydrophobicContact CG-CD1 4.3Å; P85-F1040 HydrophobicContact CG-CE1 3.82Å; P85-F1040 HydrophobicContact CG-CE2 4.43Å; P85-F1040 HydrophobicContact CG-CZ 3.91Å; P85-T1041 HydrophobicContact CB-CG2 4.05Å; P85-T1041 HydrophobicContact CG-CG2 4.2Å |
| 86 | I | 90.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152.3 | 162.5 | 65.6 | 169.6 | 0 | 0 | 0 | 110.5 | F84 L93 E94 I96 Y157 I165 | F84-I86 HydrophobicContact CD2-CG2 4.26Å; F84-I86 HydrophobicContact CE2-CG2 4.16Å; I86-L93 WeakPolarHBondContact O-CA 3.42Å; I86-E94 HydrophobicContact CG1-CB 4.02Å; I86-E94 PolarHBondContact N-O 3.29Å; I86-E94 PolarHBondContact O-N 2.97Å; I86-I96 HydrophobicContact CD1-CD1 3.8Å; I86-I96 HydrophobicContact CD1-CG1 4.01Å; I86-I96 HydrophobicContact CG1-CD1 4.13Å; I86-I96 HydrophobicContact CG1-CG1 3.97Å; I86-I96 HydrophobicContact CG2-CG1 3.93Å; I86-Y157 HydrophobicContact CD1-CE1 4.47Å; I86-I165 HydrophobicContact CD1-CD1 3.78Å; I86-I165 HydrophobicContact CD1-CG1 3.77Å; I86-I165 HydrophobicContact CG2-CG1 4.05Å |
| 87 | T | 88.4 | Confident | 90.1 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.9 | 168.1 | -57.1 | 0 | 0 | 0 | 0 | 108.3 | L93 R164 T1041 | T87-L93 HydrophobicContact CG2-CD2 4.41Å; T87-L93 VanDerWaalsContact OG1-CD2 3.27Å; T87-L93 WeakPolarHBondContact OG1-CD2 3.43Å; T87-R164 VanDerWaalsContact O-CZ 3.23Å; T87-R164 PolarHBondContact O-NH1 3.21Å; T87-R164 PolarHBondContact O-NH2 2.89Å; T87-T1041 WeakPolarHBondContact OG1-CG2 3.24Å; T87-T1041 PolarHBondContact OG1-OG1 3.15Å |
| 88 | R | 90.1 | Very high | 90.6 | Very high | 46 Ų | 46 | 27.6 Ų | 27.6 | 17% | 0.174 | 15% | 0.15 | C | C | . | . | trans | -61.2 | 158.5 | 178.2 | -66.5 | -143 | 69.6 | 139 | -8.9 | 112.4 | N90 G91 D92 E94 N156 Y157 E161 | R88-N90 WeakPolarHBondContact CB-OD1 3.34Å; R88-N90 PolarHBondContact O-N 3.47Å; R88-N90 VanDerWaalsContact O-N 3.17Å; R88-G91 PolarHBondContact O-N 2.93Å; R88-D92 HydrophobicContact CB-CB 4.32Å; R88-D92 VanDerWaalsContact CB-O 3.31Å; R88-D92 WeakPolarHBondContact CB-O 3.44Å; R88-D92 HydrophobicContact CG-CB 4.33Å; R88-D92 WeakPolarHBondContact CG-O 3.3Å; R88-D92 PolarHBondContact N-O 3.4Å; R88-E94 VanDerWaalsContact CD-OE2 3.24Å; R88-E94 WeakPolarHBondContact CD-OE2 3.46Å; R88-E94 HydrophobicContact CG-CB 4.09Å; R88-E94 IonicContact CZ-OE2 3.46Å; R88-E94 IonicContact NE-OE2 2.88Å; R88-E94 IonicContact NH1-OE2 3.58Å; R88-E94 PolarHBondContact NH1-OE2 2.89Å; R88-N156 PolarHBondContact NH2-O 2.93Å; R88-Y157 VanDerWaalsContact NH1-CE1 3.28Å; R88-E161 WeakPolarHBondContact CA-OE1 3.3Å; R88-E161 VanDerWaalsContact CB-OE1 3.3Å; R88-E161 WeakPolarHBondContact CB-OE1 3.29Å; R88-E161 IonicContact CZ-OE1 3.42Å; R88-E161 IonicContact CZ-OE2 2.73Å; R88-E161 IonicContact NE-OE1 3.4Å; R88-E161 PolarHBondContact NE-OE1 3.15Å; R88-E161 IonicContact NE-OE2 3.22Å; R88-E161 VanDerWaalsContact NH2-CD 3.3Å; R88-E161 IonicContact NH2-OE1 2.2Å; R88-E161 PolarHBondContact NH2-OE1 3.42Å; R88-E161 IonicContact NH2-OE2 3.43Å; R88-E161 PolarHBondContact NH2-OE2 2.93Å | ||
| 89 | D | 89.3 | Confident | 90.9 | Very high | 86 Ų | 86 | 28 Ų | 28 | 46% | 0.46 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.4 | 177.4 | -74.5 | 3.7 | 0 | 0 | 0 | 112.3 | S158 E161 R164 | D89-S158 WeakPolarHBondContact OD2-CB 3.31Å; D89-S158 PolarHBondContact OD2-OG 2.83Å; D89-E161 HydrophobicContact CB-CG 4.28Å; D89-E161 PolarHBondContact N-OE1 2.93Å; D89-E161 WeakPolarHBondContact OD1-CG 3.32Å; D89-R164 IonicContact OD1-CZ 3.7Å; D89-R164 IonicContact OD1-NH2 3.15Å; D89-R164 PolarHBondContact OD1-NH2 3.1Å |
| 90 | N | 86.6 | Confident | 91 | Very high | 93 Ų | 93 | 27.9 Ų | 27.9 | 50% | 0.497 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4 | 172.2 | 77.6 | -18.5 | 0 | 0 | 0 | 114.3 | R88 D92 | R88-N90 WeakPolarHBondContact CB-OD1 3.34Å; R88-N90 PolarHBondContact O-N 3.47Å; R88-N90 VanDerWaalsContact O-N 3.17Å; N90-D92 PolarHBondContact ND2-OD2 3.24Å; N90-D92 WeakPolarHBondContact OD1-CB 3.48Å; N90-D92 PolarHBondContact OD1-N 3.21Å; N90-D92 PolarHBondContact OD1-OD2 2.9Å |
| 91 | G | 81.7 | Confident | 91 | Very high | 41 Ų | 41 | 27.9 Ų | 27.9 | 42% | 0.423 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 87.6 | -5.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R88 | R88-G91 PolarHBondContact O-N 2.93Š|
| 92 | D | 83.7 | Confident | 90.8 | Very high | 49 Ų | 49 | 26.9 Ų | 26.9 | 26% | 0.262 | 15% | 0.147 | S | C | . | . | trans | -74.3 | 153.9 | 177.5 | -64.7 | -25.7 | 0 | 0 | 0 | 111.9 | R88 N90 R583 | R88-D92 HydrophobicContact CB-CB 4.32Å; R88-D92 VanDerWaalsContact CB-O 3.31Å; R88-D92 WeakPolarHBondContact CB-O 3.44Å; R88-D92 HydrophobicContact CG-CB 4.33Å; R88-D92 WeakPolarHBondContact CG-O 3.3Å; R88-D92 PolarHBondContact N-O 3.4Å; N90-D92 PolarHBondContact ND2-OD2 3.24Å; N90-D92 WeakPolarHBondContact OD1-CB 3.48Å; N90-D92 PolarHBondContact OD1-N 3.21Å; N90-D92 PolarHBondContact OD1-OD2 2.9Å; D92-R583 VanDerWaalsContact OD1-CD 3.25Å; D92-R583 WeakPolarHBondContact OD1-CD 3.4Å; D92-R583 IonicContact OD1-CZ 3.76Å; D92-R583 IonicContact OD1-NE 2.87Å; D92-R583 IonicContact OD1-NH1 3.79Å; D92-R583 PolarHBondContact OD1-NH1 3.37Å; D92-R583 IonicContact OD2-NH1 2.81Å | ||
| 93 | L | 84.1 | Confident | 90.6 | Very high | 29 Ų | 29 | 27 Ų | 27 | 15% | 0.152 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124 | 174.9 | -71.6 | 175.9 | 0 | 0 | 0 | 110.3 | I86 T87 K584 F1040 T1041 | I86-L93 WeakPolarHBondContact O-CA 3.42Å; T87-L93 HydrophobicContact CG2-CD2 4.41Å; T87-L93 VanDerWaalsContact OG1-CD2 3.27Å; T87-L93 WeakPolarHBondContact OG1-CD2 3.43Å; L93-K584 HydrophobicContact CD1-CG 4.46Å; L93-K584 VanDerWaalsContact CD1-O 3.28Å; L93-K584 WeakPolarHBondContact CD1-O 3.31Å; L93-F1040 HydrophobicContact CB-CE1 4.4Å; L93-F1040 HydrophobicContact CD1-CD1 3.59Å; L93-F1040 HydrophobicContact CD1-CE1 3.58Å; L93-F1040 HydrophobicContact CD2-CD1 3.66Å; L93-F1040 HydrophobicContact CD2-CE1 3.85Å; L93-F1040 HydrophobicContact CG-CD1 4.24Å; L93-F1040 HydrophobicContact CG-CE1 4.16Å; L93-T1041 HydrophobicContact CD2-CG2 4.06Å |
| 94 | E | 88.7 | Confident | 90.3 | Very high | 47 Ų | 47 | 27.3 Ų | 27.3 | 22% | 0.22 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.5 | -177.1 | -171.1 | 177 | 162.8 | 0 | 0 | 111.2 | P85 I86 R88 I96 Y157 | P85-E94 CarbonylContact C-O 3.53Å; P85-E94 WeakPolarHBondContact CA-O 3.35Å; I86-E94 HydrophobicContact CG1-CB 4.02Å; I86-E94 PolarHBondContact N-O 3.29Å; I86-E94 PolarHBondContact O-N 2.97Å; R88-E94 VanDerWaalsContact CD-OE2 3.24Å; R88-E94 WeakPolarHBondContact CD-OE2 3.46Å; R88-E94 HydrophobicContact CG-CB 4.09Å; R88-E94 IonicContact CZ-OE2 3.46Å; R88-E94 IonicContact NE-OE2 2.88Å; R88-E94 IonicContact NH1-OE2 3.58Å; R88-E94 PolarHBondContact NH1-OE2 2.89Å; E94-I96 HydrophobicContact CG-CD1 4.23Å; E94-Y157 PolarHBondContact OE1-OH 3.47Å; E94-Y157 WeakPolarHBondContact OE2-CE1 3.2Å |
| 95 | M | 89.5 | Confident | 89.6 | Confident | 46 Ų | 46 | 30.2 Ų | 30.2 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.2 | 177.4 | -67.4 | -50.3 | -51 | 0 | 0 | 110.6 | C83 P85 Y591 V594 | C83-M95 WeakPolarHBondContact SG-CE 3.35Å; P85-M95 HydrophobicContact CB-CE 4.33Å; P85-M95 HydrophobicContact CB-SD 3.77Å; M95-Y591 HydrophobicContact CE-CD2 3.25Å; M95-Y591 HydrophobicContact CE-CE2 3.77Å; M95-Y591 HydrophobicContact CE-CG 3.91Å; M95-Y591 HydrophobicContact SD-CD2 3.97Å; M95-Y591 HydrophobicContact SD-CG 4.02Å; M95-V594 HydrophobicContact CE-CG2 4.02Å |
| 96 | I | 93.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.1 | -178.8 | -53 | -60.2 | 0 | 0 | 0 | 109.4 | C83 F84 I86 E94 V150 I152 I165 | C83-I96 WeakPolarHBondContact CA-O 3.26Å; F84-I96 HydrophobicContact CD2-CB 4.16Å; F84-I96 HydrophobicContact CE1-CG2 4.49Å; F84-I96 HydrophobicContact CE2-CB 3.82Å; F84-I96 HydrophobicContact CE2-CG1 4.19Å; F84-I96 HydrophobicContact CE2-CG2 4.06Å; F84-I96 HydrophobicContact CZ-CB 4.09Å; F84-I96 HydrophobicContact CZ-CG2 3.87Å; F84-I96 PolarHBondContact N-O 3.22Å; F84-I96 VanDerWaalsContact N-O 3.12Å; F84-I96 PolarHBondContact O-N 2.88Å; I86-I96 HydrophobicContact CD1-CD1 3.8Å; I86-I96 HydrophobicContact CD1-CG1 4.01Å; I86-I96 HydrophobicContact CG1-CD1 4.13Å; I86-I96 HydrophobicContact CG1-CG1 3.97Å; I86-I96 HydrophobicContact CG2-CG1 3.93Å; E94-I96 HydrophobicContact CG-CD1 4.23Å; I96-V150 HydrophobicContact CG2-CG1 3.54Å; I96-I152 HydrophobicContact CD1-CG2 3.9Å; I96-I152 HydrophobicContact CG2-CG2 4.4Å; I96-I165 HydrophobicContact CD1-CD1 4.13Å; I96-I165 HydrophobicContact CD1-CG1 4.38Å; I96-I165 HydrophobicContact CG1-CG1 4.22Å; I96-I165 HydrophobicContact CG2-CG2 4.1Å |
| 97 | E | 94.4 | Very high | 87.8 | Confident | 52 Ų | 52 | 30.6 Ų | 30.6 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.5 | 174.5 | -59.8 | -174.4 | -92.2 | 0 | 0 | 111.6 | Y81 W99 R151 | Y81-E97 HydrophobicContact CE2-CB 4.06Å; Y81-E97 HydrophobicContact CE2-CG 4.25Å; Y81-E97 WeakPolarHBondContact CE2-OE2 3.4Å; Y81-E97 WeakPolarHBondContact OH-CG 3.44Å; Y81-E97 PolarHBondContact OH-OE2 2.96Å; E97-W99 HydrophobicContact CB-CH2 3.68Å; E97-W99 HydrophobicContact CB-CZ3 3.85Å; E97-R151 HydrophobicContact CB-CB 4.26Å; E97-R151 PolarHBondContact O-N 2.86Å; E97-R151 IonicContact OE1-CZ 3.35Å; E97-R151 IonicContact OE1-NE 3.46Å; E97-R151 IonicContact OE1-NH1 2.71Å; E97-R151 PolarHBondContact OE1-NH1 3.37Å; E97-R151 IonicContact OE2-NH1 3.76Å; E97-R151 PolarHBondContact OE2-NH1 3.33Å |
| 98 | A | 96.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 153.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y81 V82 G149 V150 L169 | Y81-A98 WeakPolarHBondContact CA-O 3.16Å; V82-A98 HydrophobicContact CG2-CB 3.92Å; V82-A98 PolarHBondContact N-O 2.78Å; V82-A98 PolarHBondContact O-N 2.6Å; A98-G149 CarbonylContact C-O 3.47Å; A98-G149 VanDerWaalsContact CA-O 3.27Å; A98-G149 WeakPolarHBondContact CA-O 3.41Å; A98-V150 HydrophobicContact CB-CB 4.33Å; A98-V150 HydrophobicContact CB-CG1 4.3Å; A98-V150 HydrophobicContact CB-CG2 3.86Å; A98-L169 HydrophobicContact CB-CD1 3.44Å; A98-L169 VanDerWaalsContact CB-CD1 3.44Å |
| 99 | W | 96.2 | Very high | 87.3 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.3 | 176.9 | -64.5 | -98.5 | 0 | 0 | 0 | 111 | L80 Y81 E97 V120 V125 G148 G149 R151 | L80-W99 CarbonylContact O-C 3.58Å; L80-W99 VanDerWaalsContact O-CA 3.29Å; L80-W99 WeakPolarHBondContact O-CA 3.4Å; Y81-W99 HydrophobicContact CD2-CD2 4.14Å; Y81-W99 AromaticContact CD2-CE2 3.46Å; Y81-W99 VanDerWaalsContact CD2-CE2 3.46Å; Y81-W99 HydrophobicContact CD2-CH2 4.18Å; Y81-W99 AromaticContact CD2-CZ2 3.52Å; Y81-W99 HydrophobicContact CD2-CZ2 3.52Å; Y81-W99 AromaticContact CD2-NE1 3.54Å; Y81-W99 AromaticContact CE2-CE2 3.92Å; Y81-W99 AromaticContact CE2-CH2 3.81Å; Y81-W99 HydrophobicContact CE2-CH2 3.81Å; Y81-W99 AromaticContact CE2-CZ2 3.44Å; Y81-W99 HydrophobicContact CE2-CZ2 3.44Å; Y81-W99 VanDerWaalsContact CE2-CZ2 3.44Å; E97-W99 HydrophobicContact CB-CH2 3.68Å; E97-W99 HydrophobicContact CB-CZ3 3.85Å; W99-V120 HydrophobicContact CE3-CG1 3.63Å; W99-V120 HydrophobicContact CZ3-CG1 4.04Å; W99-V125 HydrophobicContact CB-CB 4.33Å; W99-V125 HydrophobicContact CB-CG1 4.14Å; W99-V125 HydrophobicContact CB-CG2 4.19Å; W99-G148 CarbonylContact O-C 3.52Å; W99-G148 WeakPolarHBondContact O-CA 3.21Å; W99-G149 PolarHBondContact N-O 2.87Å; W99-G149 PolarHBondContact O-N 2.88Å; W99-R151 HydrophobicContact CZ3-CB 4.13Å |
| 100 | R | 96.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120.5 | 160.4 | -168.2 | 79.5 | 179.9 | 166.4 | -5 | 109.4 | L80 G112 G113 S146 K147 F173 F178 D184 | L80-R100 PolarHBondContact N-O 3.21Å; L80-R100 PolarHBondContact O-N 3.34Å; R100-G112 PolarHBondContact NH1-O 2.92Å; R100-G112 PolarHBondContact NH2-O 3Å; R100-G113 PolarHBondContact NH1-O 3.1Å; R100-S146 PolarHBondContact NH2-OG 3.07Å; R100-K147 CarbonylContact C-O 3Å; R100-K147 WeakPolarHBondContact CA-O 3.43Å; R100-K147 WeakPolarHBondContact CD-O 3.11Å; R100-F173 HydrophobicContact CB-CD1 4.32Å; R100-F173 HydrophobicContact CB-CE1 3.87Å; R100-F173 HydrophobicContact CB-CE2 4.14Å; R100-F173 HydrophobicContact CB-CZ 3.77Å; R100-F173 HydrophobicContact CG-CE2 4.48Å; R100-F178 HydrophobicContact CB-CB 4.42Å; R100-F178 HydrophobicContact CB-CD1 3.87Å; R100-F178 HydrophobicContact CB-CG 4.41Å; R100-F178 HydrophobicContact CG-CB 4.13Å; R100-F178 HydrophobicContact CG-CD1 3.62Å; R100-F178 HydrophobicContact CG-CG 4.29Å; R100-F178 WeakPolarHBondContact O-CE1 3.39Å; R100-D184 IonicContact CZ-OD1 3.63Å; R100-D184 IonicContact CZ-OD2 2.72Å; R100-D184 IonicContact NE-OD1 2.68Å; R100-D184 IonicContact NE-OD2 3.6Å; R100-D184 PolarHBondContact NE-OD2 3.06Å; R100-D184 IonicContact NH2-OD1 3.5Å; R100-D184 PolarHBondContact NH2-OD1 2.91Å; R100-D184 IonicContact NH2-OD2 3.46Å |
| 101 | C | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.3 | 170.3 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | P76 V79 V125 A129 S146 K147 | P76-C101 VanDerWaalsContact CB-SG 3.53Å; V79-C101 HydrophobicContact CG1-CB 4.4Å; V79-C101 HydrophobicContact CG2-CB 4.15Å; C101-V125 HydrophobicContact CB-CG1 3.76Å; C101-A129 HydrophobicContact CB-CB 3.83Å; C101-A129 VanDerWaalsContact SG-CB 3.55Å; C101-S146 CarbonylContact O-C 3.54Å; C101-S146 WeakPolarHBondContact O-CA 3.45Å; C101-S146 WeakPolarHBondContact O-CB 3.46Å; C101-K147 PolarHBondContact N-O 2.89Å; C101-K147 PolarHBondContact O-N 2.8Å |
| 102 | Q | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 105.9 | 162.8 | -73 | 169.9 | -3.4 | 0 | 0 | 106.9 | S77 K78 C110 G177 F178 D184 | S77-Q102 PolarHBondContact N-O 3.47Å; K78-Q102 HydrophobicContact CG-CB 4.11Å; K78-Q102 PolarHBondContact N-O 3.29Å; K78-Q102 VanDerWaalsContact N-O 3.1Å; K78-Q102 PolarHBondContact O-N 3.07Å; Q102-C110 HydrophobicContact CG-CB 4.24Å; Q102-G177 PolarHBondContact NE2-O 2.82Å; Q102-F178 HydrophobicContact CB-CE1 4.27Å; Q102-F178 VanDerWaalsContact CD-CD1 3.49Å; Q102-F178 HydrophobicContact CG-CD1 3.82Å; Q102-F178 HydrophobicContact CG-CE1 3.82Å; Q102-F178 VanDerWaalsContact NE2-CD1 3.34Å; Q102-D184 WeakPolarHBondContact CG-OD2 3.41Å; Q102-D184 VanDerWaalsContact NE2-CB 3.29Å; Q102-D184 PolarHBondContact NE2-OD2 3.19Å |
| 103 | H | 90.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 9% | 0.093 | C | C | . | . | trans | -73.3 | -44.6 | -174.4 | 174.7 | -101.5 | 0 | 0 | 0 | 111.4 | I73 S77 A129 T133 F134 G145 | I73-H103 PolarHBondContact O-CE1 2.99Å; I73-H103 PolarHBondContact O-NE2 3.21Å; S77-H103 WeakPolarHBondContact CB-O 3.49Å; S77-H103 PolarHBondContact N-O 3.41Å; S77-H103 PolarHBondContact OG-O 2.67Å; H103-A129 HydrophobicContact CB-CB 3.86Å; H103-A129 WeakPolarHBondContact CB-O 3.47Å; H103-T133 WeakPolarHBondContact ND1-CB 3.44Å; H103-T133 PolarHBondContact ND1-OG1 3.42Å; H103-F134 AromaticContact CE1-CZ 3.94Å; H103-G145 PolarHBondContact N-O 2.95Å | ||
| 104 | S | 85.4 | Confident | 89.3 | Confident | 9 Ų | 9 | 16.7 Ų | 16.7 | 6% | 0.063 | 9% | 0.087 | C | C | . | . | trans | -153.1 | 120.5 | -178.1 | -156 | 0 | 0 | 0 | 0 | 113.2 | S77 H106 G144 | S77-S104 WeakPolarHBondContact OG-CA 3.5Å; S104-H106 WeakPolarHBondContact CB-ND1 3.31Å; S104-H106 PolarHBondContact OG-ND1 3.48Å; S104-G144 WeakPolarHBondContact O-CA 3.44Å | ||
| 105 | E | 79 | Confident | 89.5 | Confident | 62 Ų | 62 | 16.2 Ų | 16.2 | 29% | 0.29 | 8% | 0.083 | S | C | . | . | trans | -90.4 | 4.7 | 179.8 | -71.4 | 165.5 | 120.9 | 0 | 0 | 113.9 | K78 R107 T108 | K78-E105 WeakPolarHBondContact CE-OE1 3.33Å; K78-E105 WeakPolarHBondContact CE-OE2 3.49Å; K78-E105 IonicContact NZ-OE1 2.68Å; K78-E105 PolarHBondContact NZ-OE1 3.06Å; K78-E105 IonicContact NZ-OE2 2.67Å; K78-E105 PolarHBondContact NZ-OE2 3.18Å; E105-R107 CarbonylContact O-C 3.45Å; E105-R107 PolarHBondContact O-N 3.21Å; E105-T108 HydrophobicContact CB-CG2 4.15Å; E105-T108 HydrophobicContact CG-CG2 4.41Å | ||
| 106 | H | 70.4 | Confident | 89.7 | Confident | 17 Ų | 17 | 14 Ų | 14 | 8% | 0.079 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -57.9 | -17.9 | 179.8 | 73.7 | -82.8 | 0 | 0 | 0 | 113.4 | S104 | S104-H106 WeakPolarHBondContact CB-ND1 3.31Å; S104-H106 PolarHBondContact OG-ND1 3.48Å |
| 107 | R | 71.9 | Confident | 89.5 | Confident | 7 Ų | 7 | 14.9 Ų | 14.9 | 3% | 0.026 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -128.7 | 118.2 | 157.9 | -21.5 | -169.5 | 168.1 | -174.9 | -14.8 | 107.6 | E105 V141 P142 G144 K514 W518 | E105-R107 CarbonylContact O-C 3.45Å; E105-R107 PolarHBondContact O-N 3.21Å; R107-V141 PolarHBondContact NH1-O 3Å; R107-P142 VanDerWaalsContact CB-O 3.25Å; R107-P142 WeakPolarHBondContact CB-O 3.1Å; R107-G144 WeakPolarHBondContact O-CA 3.3Å; R107-G144 PolarHBondContact O-N 3.27Å; R107-K514 PolarHBondContact NH2-O 2.86Å; R107-W518 HydrophobicContact CB-CE3 4.02Å; R107-W518 HydrophobicContact CB-CH2 4.38Å; R107-W518 HydrophobicContact CB-CZ3 3.67Å; R107-W518 HydrophobicContact CG-CD2 4.1Å; R107-W518 HydrophobicContact CG-CE3 3.51Å; R107-W518 HydrophobicContact CG-CH2 4.3Å; R107-W518 HydrophobicContact CG-CZ3 3.62Å; R107-W518 VanDerWaalsContact NH2-CD1 3.28Å |
| 108 | T | 77.3 | Confident | 89.3 | Confident | 79 Ų | 79 | 15.5 Ų | 15.5 | 49% | 0.485 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -97.9 | 146.6 | 169.4 | 45.7 | 0 | 0 | 0 | 0 | 110.7 | E105 G182 | E105-T108 HydrophobicContact CB-CG2 4.15Å; E105-T108 HydrophobicContact CG-CG2 4.41Å; T108-G182 WeakPolarHBondContact CB-O 3.37Å |
| 109 | P | 92.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | S | Bend | cis | -74.1 | 161.9 | -0.9 | 32.3 | -38 | 0 | 0 | 0 | 113.8 | F143 G144 V183 V185 W395 | P109-F143 HydrophobicContact CG-CD1 3.66Å; P109-F143 HydrophobicContact CG-CE1 3.48Å; P109-F143 VanDerWaalsContact CG-CE1 3.48Å; P109-F143 HydrophobicContact CG-CZ 4.3Å; P109-F143 WeakPolarHBondContact O-CA 3.48Å; P109-F143 WeakPolarHBondContact O-CB 3.44Å; P109-G144 PolarHBondContact O-N 2.83Å; P109-V183 CarbonylContact C-O 3.48Å; P109-V183 VanDerWaalsContact CA-O 3.32Å; P109-V183 WeakPolarHBondContact CA-O 3.26Å; P109-V185 HydrophobicContact CB-CG2 3.69Å; P109-V185 HydrophobicContact CG-CG2 3.8Å; P109-W395 HydrophobicContact CG-CH2 4.43Å; P109-W395 HydrophobicContact CG-CZ2 3.63Å |
| 110 | C | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 151.8 | 164.5 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | Q102 G144 V183 D184 V185 | Q102-C110 HydrophobicContact CG-CB 4.24Å; C110-G144 CarbonylContact C-O 3.39Å; C110-G144 WeakPolarHBondContact CA-O 3.38Å; C110-V183 PolarHBondContact N-O 2.8Å; C110-D184 HydrophobicContact CB-CB 4.31Å; C110-D184 WeakPolarHBondContact O-CA 3.48Å; C110-V185 PolarHBondContact O-N 3.17Å |
| 111 | K | 93.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126.7 | -178.6 | -171.6 | 49.8 | 166 | -174.4 | 0 | 112.9 | M132 F143 G144 S146 V185 P186 T220 V388 | K111-M132 HydrophobicContact CG-CE 4.23Å; K111-M132 WeakPolarHBondContact O-CB 3.24Å; K111-F143 HydrophobicContact CB-CB 3.89Å; K111-F143 HydrophobicContact CB-CD2 3.64Å; K111-F143 HydrophobicContact CB-CE2 4.43Å; K111-F143 HydrophobicContact CB-CG 4.06Å; K111-F143 HydrophobicContact CD-CD2 4.44Å; K111-F143 HydrophobicContact CD-CE2 4.47Å; K111-F143 HydrophobicContact CG-CD2 3.81Å; K111-F143 HydrophobicContact CG-CE2 4.26Å; K111-G144 PolarHBondContact N-O 3.49Å; K111-S146 PolarHBondContact N-OG 3.33Å; K111-S146 PolarHBondContact O-N 2.98Å; K111-V185 WeakPolarHBondContact CD-O 3.47Å; K111-V185 WeakPolarHBondContact CE-O 3.25Å; K111-V185 PolarHBondContact NZ-O 2.89Å; K111-P186 PolarHBondContact NZ-O 3.24Å; K111-T220 PolarHBondContact NZ-OG1 3.35Å; K111-V388 HydrophobicContact CG-CG2 3.78Å |
| 112 | G | 92 | Very high | 87.6 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 135.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R100 S146 P186 | R100-G112 PolarHBondContact NH1-O 2.92Å; R100-G112 PolarHBondContact NH2-O 3Å; G112-S146 WeakPolarHBondContact CA-O 3.34Å; G112-S146 PolarHBondContact N-OG 2.83Å; G112-S146 VanDerWaalsContact N-OG 3.11Å; G112-P186 VanDerWaalsContact O-CA 3.3Å; G112-P186 WeakPolarHBondContact O-CA 3.41Å |
| 113 | G | 92.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 161.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | R100 G148 A187 | R100-G113 PolarHBondContact NH1-O 3.1Å; G113-G148 PolarHBondContact O-N 3.22Å; G113-A187 CarbonylContact C-O 3.52Å; G113-A187 VanDerWaalsContact CA-O 3.26Å; G113-A187 WeakPolarHBondContact CA-O 3.47Å |
| 114 | I | 95.1 | Very high | 86.8 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.8 | 168.6 | -65.4 | 175.3 | 0 | 0 | 0 | 108.9 | Y116 G148 L169 F173 P186 A187 D189 T192 I200 | I114-Y116 HydrophobicContact CG2-CD1 4.29Å; I114-Y116 HydrophobicContact CG2-CE1 3.8Å; I114-G148 WeakPolarHBondContact CA-O 3.47Å; I114-L169 HydrophobicContact CG2-CD2 4.37Å; I114-F173 HydrophobicContact CD1-CE2 4.37Å; I114-P186 HydrophobicContact CD1-CB 3.52Å; I114-P186 HydrophobicContact CD1-CG 3.96Å; I114-P186 HydrophobicContact CG1-CB 3.78Å; I114-A187 PolarHBondContact N-O 2.63Å; I114-D189 VanDerWaalsContact O-CB 3.28Å; I114-D189 WeakPolarHBondContact O-CB 3.49Å; I114-T192 VanDerWaalsContact O-CG2 3.23Å; I114-T192 WeakPolarHBondContact O-CG2 3.34Å; I114-T192 PolarHBondContact O-OG1 2.81Å; I114-I200 HydrophobicContact CD1-CD1 3.88Å |
| 115 | R | 93.1 | Very high | 87 | Confident | 36 Ų | 36 | 31.3 Ų | 31.3 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.9 | -176.2 | 171.3 | 170.8 | -64.1 | -163.6 | -9.4 | 111.7 | A117 V120 E124 G148 G149 V150 D189 M190 | R115-A117 HydrophobicContact CG-CB 4.15Å; R115-V120 HydrophobicContact CG-CG2 4.47Å; R115-E124 WeakPolarHBondContact CD-OE1 3.25Å; R115-E124 IonicContact CZ-OE1 2.78Å; R115-E124 IonicContact NE-OE1 3.85Å; R115-E124 IonicContact NH1-OE1 2.6Å; R115-E124 PolarHBondContact NH1-OE1 2.84Å; R115-G148 PolarHBondContact N-O 3.5Å; R115-G149 CarbonylContact O-C 3.58Å; R115-G149 VanDerWaalsContact O-CA 3.3Å; R115-G149 WeakPolarHBondContact O-CA 3.47Å; R115-V150 PolarHBondContact O-N 3.17Å; R115-D189 HydrophobicContact CB-CB 4.18Å; R115-D189 IonicContact CZ-OD1 2.77Å; R115-D189 IonicContact NE-OD1 2.71Å; R115-D189 PolarHBondContact NE-OD1 2.92Å; R115-D189 IonicContact NH2-OD1 3.94Å; R115-D189 PolarHBondContact NH2-OD1 3.28Å; R115-M190 HydrophobicContact CG-CB 4.28Å; R115-M190 PolarHBondContact NH2-SD 3.14Å |
| 116 | Y | 94.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 111.4 | 167.5 | -65.8 | -6.7 | 0 | 0 | 0 | 108.6 | I114 V150 I152 P154 I162 T166 M190 S191 T192 E196 | I114-Y116 HydrophobicContact CG2-CD1 4.29Å; I114-Y116 HydrophobicContact CG2-CE1 3.8Å; Y116-V150 HydrophobicContact CD1-CB 3.61Å; Y116-V150 HydrophobicContact CD1-CG2 3.65Å; Y116-V150 HydrophobicContact CE1-CB 3.87Å; Y116-V150 HydrophobicContact CE1-CG2 3.42Å; Y116-V150 VanDerWaalsContact CE1-CG2 3.42Å; Y116-I152 CarbonylContact C-O 3.58Å; Y116-I152 HydrophobicContact CD1-CD1 4.43Å; Y116-I152 HydrophobicContact CD2-CD1 3.89Å; Y116-I152 HydrophobicContact CD2-CG1 4.46Å; Y116-I152 HydrophobicContact CE2-CD1 4.29Å; Y116-I152 HydrophobicContact CG-CD1 3.97Å; Y116-I152 HydrophobicContact CG-CG1 4.1Å; Y116-P154 HydrophobicContact CD2-CB 4.41Å; Y116-I162 HydrophobicContact CE2-CG2 4.06Å; Y116-T166 PolarHBondContact OH-OG1 2.84Å; Y116-M190 PolarHBondContact N-O 2.69Å; Y116-S191 WeakPolarHBondContact O-CB 3.45Å; Y116-S191 PolarHBondContact O-OG 3.23Å; Y116-T192 HydrophobicContact CD1-CG2 3.72Å; Y116-T192 HydrophobicContact CD2-CG2 3.63Å; Y116-T192 HydrophobicContact CE1-CG2 3.88Å; Y116-T192 HydrophobicContact CE2-CG2 3.81Å; Y116-T192 HydrophobicContact CG-CG2 3.59Å; Y116-E196 HydrophobicContact CE2-CG 4.32Å |
| 117 | A | 89.5 | Confident | 88 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | trans | -153.2 | 146.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R115 N119 V120 V150 R151 I152 | R115-A117 HydrophobicContact CG-CB 4.15Å; A117-N119 VanDerWaalsContact C-N 3.25Å; A117-N119 PolarHBondContact O-N 3.05Å; A117-V120 HydrophobicContact CB-CG2 4.11Å; A117-V120 WeakPolarHBondContact O-CG2 3.19Å; A117-V150 PolarHBondContact N-O 2.77Å; A117-V150 VanDerWaalsContact O-O 3.11Å; A117-R151 WeakPolarHBondContact O-CA 3.38Å; A117-I152 CarbonylContact C-O 3.12Å; A117-I152 WeakPolarHBondContact CA-O 3.45Å; A117-I152 PolarHBondContact N-O 3.47Å; A117-I152 PolarHBondContact O-N 3.22Å | ||
| 118 | P | 90.2 | Very high | 88.8 | Confident | 65 Ų | 65 | 29.7 Ų | 29.7 | 42% | 0.422 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.4 | -174.1 | 26.6 | -35.5 | 0 | 0 | 0 | 114.4 | R151 D153 | P118-R151 WeakPolarHBondContact O-CG 3.37Å; P118-D153 HydrophobicContact CB-CB 4.34Å; P118-D153 HydrophobicContact CG-CB 4.27Å |
| 119 | N | 86.6 | Confident | 89.4 | Confident | 139 Ų | 139 | 26 Ų | 26 | 74% | 0.743 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 18 | -172.9 | -63.6 | 0.7 | 0 | 0 | 0 | 113.6 | A117 S121 | A117-N119 VanDerWaalsContact C-N 3.25Å; A117-N119 PolarHBondContact O-N 3.05Å; N119-S121 PolarHBondContact O-N 3.42Å |
| 120 | V | 86.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -56.3 | 131.2 | -179.5 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | W99 R115 A117 V125 R151 | W99-V120 HydrophobicContact CE3-CG1 3.63Å; W99-V120 HydrophobicContact CZ3-CG1 4.04Å; R115-V120 HydrophobicContact CG-CG2 4.47Å; A117-V120 HydrophobicContact CB-CG2 4.11Å; A117-V120 WeakPolarHBondContact O-CG2 3.19Å; V120-V125 HydrophobicContact CG1-CG2 3.98Å; V120-R151 PolarHBondContact O-NE 3.04Å; V120-R151 PolarHBondContact O-NH2 2.87Å | ||
| 121 | S | 85.9 | Confident | 89 | Confident | 47 Ų | 47 | 26.3 Ų | 26.3 | 33% | 0.329 | 15% | 0.146 | S | C | . | . | trans | -123.2 | 157.6 | 175 | 76.8 | 0 | 0 | 0 | 0 | 112.1 | N119 D123 E124 V125 | N119-S121 PolarHBondContact O-N 3.42Å; S121-D123 VanDerWaalsContact C-N 3.28Å; S121-D123 PolarHBondContact O-N 3.08Å; S121-E124 PolarHBondContact O-N 3.13Å; S121-E124 WeakPolarHBondContact OG-CB 3.44Å; S121-E124 PolarHBondContact OG-N 3.25Å; S121-V125 WeakPolarHBondContact O-CG2 3.38Å; S121-V125 PolarHBondContact O-N 2.79Å | ||
| 122 | E | 86.9 | Confident | 88.8 | Confident | 28 Ų | 28 | 27.8 Ų | 27.8 | 13% | 0.131 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.9 | -167 | 178.2 | 117.6 | 0 | 0 | 111.9 | V79 V125 K126 Q641 | V79-E122 HydrophobicContact CG1-CG 3.94Å; E122-V125 PolarHBondContact O-N 2.89Å; E122-K126 WeakPolarHBondContact O-CG 3.39Å; E122-K126 PolarHBondContact O-N 3.2Å; E122-K126 WeakPolarHBondContact OE1-CE 3.44Å; E122-K126 IonicContact OE1-NZ 2.69Å; E122-K126 PolarHBondContact OE1-NZ 2.89Å; E122-Q641 PolarHBondContact OE2-NE2 3.32Å |
| 123 | D | 82.6 | Confident | 88.8 | Confident | 91 Ų | 91 | 27.8 Ų | 27.8 | 49% | 0.487 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -77.2 | -30.3 | -175.5 | -57.2 | -41.9 | 0 | 0 | 0 | 112.9 | S121 V125 K126 A127 | S121-D123 VanDerWaalsContact C-N 3.28Å; S121-D123 PolarHBondContact O-N 3.08Å; D123-V125 VanDerWaalsContact C-N 3.32Å; D123-K126 PolarHBondContact O-N 2.81Å; D123-K126 WeakPolarHBondContact OD1-CD 3.28Å; D123-K126 IonicContact OD1-NZ 3.23Å; D123-K126 PolarHBondContact OD1-NZ 2.98Å; D123-A127 VanDerWaalsContact O-CB 3.29Å; D123-A127 WeakPolarHBondContact O-CB 3.19Å; D123-A127 PolarHBondContact O-N 3.14Å |
| 124 | E | 83.5 | Confident | 88.7 | Confident | 49 Ų | 49 | 27.4 Ų | 27.4 | 23% | 0.229 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 165.4 | -173.4 | -149.7 | 162 | 0 | 0 | 110.2 | R115 S121 A127 L128 | R115-E124 WeakPolarHBondContact CD-OE1 3.25Å; R115-E124 IonicContact CZ-OE1 2.78Å; R115-E124 IonicContact NE-OE1 3.85Å; R115-E124 IonicContact NH1-OE1 2.6Å; R115-E124 PolarHBondContact NH1-OE1 2.84Å; S121-E124 PolarHBondContact O-N 3.13Å; S121-E124 WeakPolarHBondContact OG-CB 3.44Å; S121-E124 PolarHBondContact OG-N 3.25Å; E124-A127 PolarHBondContact O-N 3.2Å; E124-L128 HydrophobicContact CG-CD1 3.85Å; E124-L128 WeakPolarHBondContact O-CB 3.34Å; E124-L128 WeakPolarHBondContact O-CG 3.44Å; E124-L128 PolarHBondContact O-N 2.86Å |
| 125 | V | 89.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -38.3 | 179.8 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | W99 C101 V120 S121 E122 D123 A129 K147 | W99-V125 HydrophobicContact CB-CB 4.33Å; W99-V125 HydrophobicContact CB-CG1 4.14Å; W99-V125 HydrophobicContact CB-CG2 4.19Å; C101-V125 HydrophobicContact CB-CG1 3.76Å; V120-V125 HydrophobicContact CG1-CG2 3.98Å; S121-V125 WeakPolarHBondContact O-CG2 3.38Å; S121-V125 PolarHBondContact O-N 2.79Å; E122-V125 PolarHBondContact O-N 2.89Å; D123-V125 VanDerWaalsContact C-N 3.32Å; V125-A129 VanDerWaalsContact O-CB 3.32Å; V125-A129 WeakPolarHBondContact O-CB 3.31Å; V125-A129 PolarHBondContact O-N 3.42Å; V125-A129 VanDerWaalsContact O-N 3.11Å; V125-K147 HydrophobicContact CB-CG 4.45Å; V125-K147 HydrophobicContact CG1-CB 3.96Å; V125-K147 HydrophobicContact CG1-CG 4.04Å; V125-K147 VanDerWaalsContact CG1-O 3.31Å; V125-K147 WeakPolarHBondContact CG1-O 3.42Å; V125-K147 WeakPolarHBondContact O-CB 3.41Å |
| 126 | K | 88.6 | Confident | 88.4 | Confident | 37 Ų | 37 | 25.9 Ų | 25.9 | 16% | 0.161 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -51.5 | 171 | -70.6 | 169.9 | -171.4 | 147.8 | 0 | 111.8 | P76 V79 E122 D123 L128 A129 A130 | P76-K126 HydrophobicContact CB-CG 4.47Å; P76-K126 HydrophobicContact CG-CB 4.49Å; P76-K126 HydrophobicContact CG-CD 4.18Å; P76-K126 HydrophobicContact CG-CG 4.03Å; V79-K126 HydrophobicContact CG2-CG 3.97Å; E122-K126 WeakPolarHBondContact O-CG 3.39Å; E122-K126 PolarHBondContact O-N 3.2Å; E122-K126 WeakPolarHBondContact OE1-CE 3.44Å; E122-K126 IonicContact OE1-NZ 2.69Å; E122-K126 PolarHBondContact OE1-NZ 2.89Å; D123-K126 PolarHBondContact O-N 2.81Å; D123-K126 WeakPolarHBondContact OD1-CD 3.28Å; D123-K126 IonicContact OD1-NZ 3.23Å; D123-K126 PolarHBondContact OD1-NZ 2.98Å; K126-L128 PolarHBondContact O-N 2.62Å; K126-A129 PolarHBondContact O-N 2.92Å; K126-A130 PolarHBondContact O-N 2.83Å |
| 127 | A | 82.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y29 F30 I33 D123 E124 A130 L131 | Y29-A127 HydrophobicContact CD1-CB 4.32Å; F30-A127 HydrophobicContact CB-CB 3.98Å; F30-A127 HydrophobicContact CD2-CB 3.97Å; F30-A127 HydrophobicContact CG-CB 4.49Å; I33-A127 HydrophobicContact CD1-CB 4.39Å; I33-A127 WeakPolarHBondContact CD1-O 3.32Å; D123-A127 VanDerWaalsContact O-CB 3.29Å; D123-A127 WeakPolarHBondContact O-CB 3.19Å; D123-A127 PolarHBondContact O-N 3.14Å; E124-A127 PolarHBondContact O-N 3.2Å; A127-A130 WeakPolarHBondContact O-CB 3.32Å; A127-A130 PolarHBondContact O-N 2.79Å; A127-L131 PolarHBondContact O-N 3.49Å |
| 128 | L | 87.7 | Confident | 88.3 | Confident | 15 Ų | 15 | 25 Ų | 25 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.2 | -30.2 | 179.9 | -67.4 | 168.9 | 0 | 0 | 0 | 112.3 | Y29 E124 K126 M132 K147 | Y29-L128 HydrophobicContact CD1-CD2 4.07Å; Y29-L128 HydrophobicContact CE1-CD2 3.62Å; E124-L128 HydrophobicContact CG-CD1 3.85Å; E124-L128 WeakPolarHBondContact O-CB 3.34Å; E124-L128 WeakPolarHBondContact O-CG 3.44Å; E124-L128 PolarHBondContact O-N 2.86Å; K126-L128 PolarHBondContact O-N 2.62Å; L128-M132 WeakPolarHBondContact O-CG 3.4Å; L128-M132 PolarHBondContact O-N 2.82Å; L128-K147 HydrophobicContact CB-CB 4.23Å; L128-K147 HydrophobicContact CB-CD 3.8Å; L128-K147 HydrophobicContact CB-CG 3.8Å; L128-K147 HydrophobicContact CD1-CD 4.26Å; L128-K147 HydrophobicContact CD1-CG 4.5Å |
| 129 | A | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.9 | -35.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | C101 H103 V125 K126 M132 T133 G145 K147 | C101-A129 HydrophobicContact CB-CB 3.83Å; C101-A129 VanDerWaalsContact SG-CB 3.55Å; H103-A129 HydrophobicContact CB-CB 3.86Å; H103-A129 WeakPolarHBondContact CB-O 3.47Å; V125-A129 VanDerWaalsContact O-CB 3.32Å; V125-A129 WeakPolarHBondContact O-CB 3.31Å; V125-A129 PolarHBondContact O-N 3.42Å; V125-A129 VanDerWaalsContact O-N 3.11Å; K126-A129 PolarHBondContact O-N 2.92Å; A129-M132 PolarHBondContact O-N 2.94Å; A129-T133 PolarHBondContact O-N 2.78Å; A129-T133 PolarHBondContact O-OG1 3.34Å; A129-T133 VanDerWaalsContact O-OG1 3.08Å; A129-G145 CarbonylContact O-C 3.46Å; A129-G145 WeakPolarHBondContact O-CA 3.27Å; A129-K147 HydrophobicContact CB-CB 3.92Å |
| 130 | A | 88.5 | Confident | 88.4 | Confident | 7 Ų | 7 | 18.7 Ų | 18.7 | 6% | 0.058 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -52.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K126 A127 M132 T133 F134 | K126-A130 PolarHBondContact O-N 2.83Å; A127-A130 WeakPolarHBondContact O-CB 3.32Å; A127-A130 PolarHBondContact O-N 2.79Å; A130-M132 VanDerWaalsContact C-N 3.29Å; A130-M132 PolarHBondContact O-N 3.48Å; A130-T133 VanDerWaalsContact O-CB 3.3Å; A130-T133 WeakPolarHBondContact O-CB 3.22Å; A130-T133 PolarHBondContact O-N 3.11Å; A130-F134 HydrophobicContact CB-CE2 4.1Å; A130-F134 WeakPolarHBondContact O-CD2 3.49Å; A130-F134 WeakPolarHBondContact O-CE2 3.45Å; A130-F134 PolarHBondContact O-N 2.97Å |
| 131 | L | 87.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -52 | -46 | 175.3 | -169.7 | 77.4 | 0 | 0 | 0 | 112.1 | Y29 I33 A127 T133 F134 K135 N359 L381 | Y29-L131 HydrophobicContact CE1-CD2 4.32Å; Y29-L131 WeakPolarHBondContact OH-CD2 3.06Å; I33-L131 HydrophobicContact CD1-CB 3.88Å; I33-L131 HydrophobicContact CD1-CD1 4.09Å; I33-L131 HydrophobicContact CG1-CD1 4.29Å; A127-L131 PolarHBondContact O-N 3.49Å; L131-T133 VanDerWaalsContact C-N 3.25Å; L131-T133 PolarHBondContact O-N 2.92Å; L131-F134 PolarHBondContact O-N 2.81Å; L131-K135 WeakPolarHBondContact O-CB 3.42Å; L131-K135 PolarHBondContact O-N 3.28Å; L131-N359 HydrophobicContact CD2-CB 4.16Å; L131-L381 HydrophobicContact CD1-CD1 4.22Å |
| 132 | M | 91.1 | Very high | 88.6 | Confident | 34 Ų | 34 | 18.3 Ų | 18.3 | 17% | 0.167 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.5 | -32.7 | 177.8 | -76.9 | -57.1 | -52.6 | 0 | 0 | 113.1 | K111 L128 A129 A130 C136 V388 | K111-M132 HydrophobicContact CG-CE 4.23Å; K111-M132 WeakPolarHBondContact O-CB 3.24Å; L128-M132 WeakPolarHBondContact O-CG 3.4Å; L128-M132 PolarHBondContact O-N 2.82Å; A129-M132 PolarHBondContact O-N 2.94Å; A130-M132 VanDerWaalsContact C-N 3.29Å; A130-M132 PolarHBondContact O-N 3.48Å; M132-C136 WeakPolarHBondContact O-CB 3.49Å; M132-C136 PolarHBondContact O-N 3.13Å; M132-C136 PolarHBondContact O-SG 2.88Å; M132-V388 HydrophobicContact CE-CB 4.28Å; M132-V388 HydrophobicContact CE-CG2 3.83Å |
| 133 | T | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.3 | -50.1 | 176.5 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | H103 A129 A130 L131 K135 C136 A137 G145 I515 | H103-T133 WeakPolarHBondContact ND1-CB 3.44Å; H103-T133 PolarHBondContact ND1-OG1 3.42Å; A129-T133 PolarHBondContact O-N 2.78Å; A129-T133 PolarHBondContact O-OG1 3.34Å; A129-T133 VanDerWaalsContact O-OG1 3.08Å; A130-T133 VanDerWaalsContact O-CB 3.3Å; A130-T133 WeakPolarHBondContact O-CB 3.22Å; A130-T133 PolarHBondContact O-N 3.11Å; L131-T133 VanDerWaalsContact C-N 3.25Å; L131-T133 PolarHBondContact O-N 2.92Å; T133-K135 VanDerWaalsContact C-N 3.31Å; T133-K135 PolarHBondContact O-N 3.16Å; T133-C136 PolarHBondContact O-N 3.28Å; T133-A137 WeakPolarHBondContact O-CB 3.4Å; T133-A137 PolarHBondContact O-N 3.09Å; T133-G145 WeakPolarHBondContact OG1-CA 3.23Å; T133-G145 PolarHBondContact OG1-N 2.98Å; T133-I515 HydrophobicContact CG2-CD1 3.91Å |
| 134 | F | 90.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.8 | -35.1 | -179.9 | -56.4 | -59.8 | 0 | 0 | 0 | 111.7 | I33 L37 I73 H103 A130 L131 A137 V138 L381 Y508 A511 V512 I515 | I33-F134 HydrophobicContact CG2-CE2 4.44Å; L37-F134 HydrophobicContact CD1-CD1 4.37Å; L37-F134 HydrophobicContact CD1-CE1 3.58Å; L37-F134 HydrophobicContact CD1-CE2 4.2Å; L37-F134 HydrophobicContact CD1-CZ 3.5Å; L37-F134 VanDerWaalsContact CD1-CZ 3.5Å; L37-F134 HydrophobicContact CD2-CE1 4.37Å; L37-F134 HydrophobicContact CD2-CE2 3.76Å; L37-F134 HydrophobicContact CD2-CZ 3.44Å; L37-F134 VanDerWaalsContact CD2-CZ 3.44Å; L37-F134 HydrophobicContact CG-CZ 4.1Å; I73-F134 HydrophobicContact CG2-CE1 3.83Å; I73-F134 HydrophobicContact CG2-CZ 4.18Å; H103-F134 AromaticContact CE1-CZ 3.94Å; A130-F134 HydrophobicContact CB-CE2 4.1Å; A130-F134 WeakPolarHBondContact O-CD2 3.49Å; A130-F134 WeakPolarHBondContact O-CE2 3.45Å; A130-F134 PolarHBondContact O-N 2.97Å; L131-F134 PolarHBondContact O-N 2.81Å; F134-A137 PolarHBondContact O-N 2.82Å; F134-V138 PolarHBondContact O-N 2.78Å; F134-L381 HydrophobicContact CB-CD1 3.62Å; F134-L381 HydrophobicContact CB-CD2 4.31Å; F134-Y508 HydrophobicContact CD2-CE1 4.46Å; F134-A511 HydrophobicContact CB-CB 4.03Å; F134-A511 HydrophobicContact CD1-CB 4.26Å; F134-A511 WeakPolarHBondContact O-CB 3.4Å; F134-V512 HydrophobicContact CE1-CG2 4.4Å; F134-I515 HydrophobicContact CD1-CD1 3.42Å; F134-I515 VanDerWaalsContact CD1-CD1 3.42Å; F134-I515 HydrophobicContact CE1-CD1 3.63Å |
| 135 | K | 90.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 10.4 Ų | 10.4 | 3% | 0.026 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.2 | -51.9 | 175.6 | -175.8 | 159.6 | -74.4 | -163.7 | 0 | 111.7 | L131 T133 A137 V138 V139 N359 D380 L381 N384 S385 V388 | L131-K135 WeakPolarHBondContact O-CB 3.42Å; L131-K135 PolarHBondContact O-N 3.28Å; T133-K135 VanDerWaalsContact C-N 3.31Å; T133-K135 PolarHBondContact O-N 3.16Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 3.33Å; K135-V138 WeakPolarHBondContact O-CG1 3.45Å; K135-V138 PolarHBondContact O-N 2.99Å; K135-V139 WeakPolarHBondContact O-CG2 3.2Å; K135-V139 PolarHBondContact O-N 3.06Å; K135-N359 PolarHBondContact NZ-OD1 3.17Å; K135-D380 WeakPolarHBondContact CE-O 3.24Å; K135-D380 PolarHBondContact NZ-O 3.2Å; K135-L381 HydrophobicContact CB-CD1 4.12Å; K135-N384 WeakPolarHBondContact CD-O 3.36Å; K135-N384 WeakPolarHBondContact CE-O 3.47Å; K135-N384 PolarHBondContact NZ-O 2.95Å; K135-S385 WeakPolarHBondContact CG-OG 3.38Å; K135-V388 HydrophobicContact CG-CG1 4.15Å |
| 136 | C | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -56.7 | -43.7 | 173.4 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | M132 T133 D140 V141 F143 | M132-C136 WeakPolarHBondContact O-CB 3.49Å; M132-C136 PolarHBondContact O-N 3.13Å; M132-C136 PolarHBondContact O-SG 2.88Å; T133-C136 PolarHBondContact O-N 3.28Å; C136-D140 PolarHBondContact O-N 3.35Å; C136-V141 HydrophobicContact CB-CB 4.32Å; C136-V141 HydrophobicContact CB-CG1 4.45Å; C136-V141 PolarHBondContact O-N 2.71Å; C136-F143 HydrophobicContact CB-CB 4.33Å; C136-F143 WeakPolarHBondContact CB-O 3.34Å |
| 137 | A | 91.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.008 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | T133 F134 K135 V139 D140 A511 K514 I515 | T133-A137 WeakPolarHBondContact O-CB 3.4Å; T133-A137 PolarHBondContact O-N 3.09Å; F134-A137 PolarHBondContact O-N 2.82Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 3.33Å; A137-V139 PolarHBondContact O-N 2.73Å; A137-D140 PolarHBondContact O-N 2.91Å; A137-A511 HydrophobicContact CB-CB 4.13Å; A137-K514 WeakPolarHBondContact O-CD 3.09Å; A137-K514 PolarHBondContact O-NZ 3.42Å; A137-K514 VanDerWaalsContact O-NZ 3.12Å; A137-I515 HydrophobicContact CB-CD1 3.81Å; A137-I515 HydrophobicContact CB-CG1 3.6Å |
| 138 | V | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | -176.2 | 78.5 | 0 | 0 | 0 | 0 | 111.4 | F134 K135 D140 L381 F382 I490 A507 T510 A511 K514 | F134-V138 PolarHBondContact O-N 2.78Å; K135-V138 WeakPolarHBondContact O-CG1 3.45Å; K135-V138 PolarHBondContact O-N 2.99Å; V138-D140 VanDerWaalsContact C-N 3.25Å; V138-D140 PolarHBondContact O-N 3.45Å; V138-L381 HydrophobicContact CG1-CG 4.39Å; V138-L381 WeakPolarHBondContact CG1-O 3.41Å; V138-F382 HydrophobicContact CG1-CB 4.28Å; V138-F382 HydrophobicContact CG1-CD2 4.47Å; V138-I490 HydrophobicContact CG2-CD1 3.94Å; V138-I490 HydrophobicContact CG2-CG1 4.1Å; V138-A507 HydrophobicContact CG2-CB 4.3Å; V138-T510 HydrophobicContact CG2-CG2 4.15Å; V138-A511 HydrophobicContact CB-CB 4.33Å; V138-K514 PolarHBondContact O-NZ 3.34Å |
| 139 | V | 90.6 | Very high | 91 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.012 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 10.8 | 175.6 | -63 | 0 | 0 | 0 | 0 | 115.6 | K135 A137 V141 F382 V388 T482 M483 S486 | K135-V139 WeakPolarHBondContact O-CG2 3.2Å; K135-V139 PolarHBondContact O-N 3.06Å; A137-V139 PolarHBondContact O-N 2.73Å; V139-V141 HydrophobicContact CG2-CB 4.4Å; V139-V141 HydrophobicContact CG2-CG2 3.81Å; V139-V141 PolarHBondContact O-N 3.01Å; V139-F382 HydrophobicContact CG1-CD2 3.85Å; V139-F382 HydrophobicContact CG1-CE2 4.03Å; V139-V388 HydrophobicContact CG2-CG1 4.32Å; V139-T482 HydrophobicContact CB-CG2 4.06Å; V139-T482 WeakPolarHBondContact O-CG2 3.45Å; V139-M483 HydrophobicContact CG1-SD 4.05Å; V139-S486 WeakPolarHBondContact CA-OG 3.27Å |
| 140 | D | 87.6 | Confident | 91.2 | Very high | 71 Ų | 71 | 8.2 Ų | 8.2 | 38% | 0.38 | 5% | 0.046 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 18.8 | 176.8 | -124.2 | 26 | 0 | 0 | 0 | 115.6 | C136 A137 V138 R485 K514 | C136-D140 PolarHBondContact O-N 3.35Å; A137-D140 PolarHBondContact O-N 2.91Å; V138-D140 VanDerWaalsContact C-N 3.25Å; V138-D140 PolarHBondContact O-N 3.45Å; D140-R485 IonicContact OD2-NH2 2.74Å; D140-K514 WeakPolarHBondContact OD1-CD 3.46Å; D140-K514 WeakPolarHBondContact OD1-CE 3.41Å; D140-K514 IonicContact OD1-NZ 3.78Å; D140-K514 PolarHBondContact OD1-NZ 3.23Å; D140-K514 IonicContact OD2-NZ 2.92Å |
| 141 | V | 88.9 | Confident | 91.5 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.018 | 6% | 0.059 | C | C | . | . | trans | -69.9 | 132.7 | 171.9 | 170.2 | 0 | 0 | 0 | 0 | 108.9 | R107 C136 V139 F143 Y392 | R107-V141 PolarHBondContact NH1-O 3Å; C136-V141 HydrophobicContact CB-CB 4.32Å; C136-V141 HydrophobicContact CB-CG1 4.45Å; C136-V141 PolarHBondContact O-N 2.71Å; V139-V141 HydrophobicContact CG2-CB 4.4Å; V139-V141 HydrophobicContact CG2-CG2 3.81Å; V139-V141 PolarHBondContact O-N 3.01Å; V141-F143 HydrophobicContact CG1-CB 3.96Å; V141-F143 HydrophobicContact CG1-CD2 3.39Å; V141-F143 HydrophobicContact CG1-CE2 4.03Å; V141-F143 HydrophobicContact CG1-CG 3.69Å; V141-F143 PolarHBondContact O-N 3.34Å; V141-Y392 HydrophobicContact CG1-CD2 4.28Å; V141-Y392 HydrophobicContact CG1-CG 4.09Å; V141-Y392 HydrophobicContact CG2-CD1 4.47Å; V141-Y392 HydrophobicContact CG2-CG 4.47Å | ||
| 142 | P | 88 | Confident | 91.9 | Very high | 35 Ų | 35 | 12.2 Ų | 12.2 | 23% | 0.227 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -81.5 | 40.6 | -175.5 | 35.1 | -38.2 | 0 | 0 | 0 | 112.9 | R107 Y392 W518 | R107-P142 VanDerWaalsContact CB-O 3.25Å; R107-P142 WeakPolarHBondContact CB-O 3.1Å; P142-Y392 HydrophobicContact CG-CD2 4.19Å; P142-Y392 HydrophobicContact CG-CE2 3.45Å; P142-Y392 VanDerWaalsContact CG-CE2 3.45Å; P142-W518 HydrophobicContact CB-CH2 4.1Å |
| 143 | F | 91.3 | Very high | 92 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.009 | 6% | 0.058 | C | C | . | . | trans | -116.5 | 144.7 | 179.9 | -64.8 | -25.8 | 0 | 0 | 0 | 111.9 | P109 K111 C136 V141 Y392 W395 | P109-F143 HydrophobicContact CG-CD1 3.66Å; P109-F143 HydrophobicContact CG-CE1 3.48Å; P109-F143 VanDerWaalsContact CG-CE1 3.48Å; P109-F143 HydrophobicContact CG-CZ 4.3Å; P109-F143 WeakPolarHBondContact O-CA 3.48Å; P109-F143 WeakPolarHBondContact O-CB 3.44Å; K111-F143 HydrophobicContact CB-CB 3.89Å; K111-F143 HydrophobicContact CB-CD2 3.64Å; K111-F143 HydrophobicContact CB-CE2 4.43Å; K111-F143 HydrophobicContact CB-CG 4.06Å; K111-F143 HydrophobicContact CD-CD2 4.44Å; K111-F143 HydrophobicContact CD-CE2 4.47Å; K111-F143 HydrophobicContact CG-CD2 3.81Å; K111-F143 HydrophobicContact CG-CE2 4.26Å; C136-F143 HydrophobicContact CB-CB 4.33Å; C136-F143 WeakPolarHBondContact CB-O 3.34Å; V141-F143 HydrophobicContact CG1-CB 3.96Å; V141-F143 HydrophobicContact CG1-CD2 3.39Å; V141-F143 HydrophobicContact CG1-CE2 4.03Å; V141-F143 HydrophobicContact CG1-CG 3.69Å; V141-F143 PolarHBondContact O-N 3.34Å; F143-Y392 HydrophobicContact CE1-CD2 4.02Å; F143-Y392 HydrophobicContact CE2-CD2 4.05Å; F143-Y392 HydrophobicContact CE2-CG 4.45Å; F143-Y392 AromaticContact CZ-CD2 3.66Å; F143-Y392 HydrophobicContact CZ-CD2 3.66Å; F143-Y392 HydrophobicContact CZ-CG 4.44Å; F143-W395 AromaticContact CE1-CD2 3.75Å; F143-W395 HydrophobicContact CE1-CD2 3.75Å; F143-W395 AromaticContact CE1-CE3 3.64Å; F143-W395 HydrophobicContact CE1-CE3 3.64Å; F143-W395 HydrophobicContact CE1-CG 4.37Å; F143-W395 HydrophobicContact CE1-CH2 4.02Å; F143-W395 HydrophobicContact CE1-CZ2 4.13Å; F143-W395 AromaticContact CE1-CZ3 3.79Å; F143-W395 HydrophobicContact CE1-CZ3 3.79Å; F143-W395 HydrophobicContact CZ-CB 3.99Å; F143-W395 AromaticContact CZ-CD2 3.62Å; F143-W395 HydrophobicContact CZ-CD2 3.62Å; F143-W395 AromaticContact CZ-CE3 3.66Å; F143-W395 HydrophobicContact CZ-CE3 3.66Å; F143-W395 AromaticContact CZ-CG 3.81Å; F143-W395 HydrophobicContact CZ-CG 3.81Å; F143-W395 HydrophobicContact CZ-CZ3 4.28Å | ||
| 144 | G | 90.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 170.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S104 R107 P109 C110 K111 | S104-G144 WeakPolarHBondContact O-CA 3.44Å; R107-G144 WeakPolarHBondContact O-CA 3.3Å; R107-G144 PolarHBondContact O-N 3.27Å; P109-G144 PolarHBondContact O-N 2.83Å; C110-G144 CarbonylContact C-O 3.39Å; C110-G144 WeakPolarHBondContact CA-O 3.38Å; K111-G144 PolarHBondContact N-O 3.49Å |
| 145 | G | 91.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 138.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H103 A129 T133 | H103-G145 PolarHBondContact N-O 2.95Å; A129-G145 CarbonylContact O-C 3.46Å; A129-G145 WeakPolarHBondContact O-CA 3.27Å; T133-G145 WeakPolarHBondContact OG1-CA 3.23Å; T133-G145 PolarHBondContact OG1-N 2.98Å |
| 146 | S | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 174.7 | 166.5 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | R100 C101 K111 G112 D184 | R100-S146 PolarHBondContact NH2-OG 3.07Å; C101-S146 CarbonylContact O-C 3.54Å; C101-S146 WeakPolarHBondContact O-CA 3.45Å; C101-S146 WeakPolarHBondContact O-CB 3.46Å; K111-S146 PolarHBondContact N-OG 3.33Å; K111-S146 PolarHBondContact O-N 2.98Å; G112-S146 WeakPolarHBondContact CA-O 3.34Å; G112-S146 PolarHBondContact N-OG 2.83Å; G112-S146 VanDerWaalsContact N-OG 3.11Å; S146-D184 WeakPolarHBondContact CB-OD1 3.34Å; S146-D184 PolarHBondContact OG-OD1 3.19Å |
| 147 | K | 94.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 146.2 | 167.8 | -178 | 74.1 | 177.9 | -158.9 | 0 | 108.3 | R100 C101 V125 L128 A129 D189 | R100-K147 CarbonylContact C-O 3Å; R100-K147 WeakPolarHBondContact CA-O 3.43Å; R100-K147 WeakPolarHBondContact CD-O 3.11Å; C101-K147 PolarHBondContact N-O 2.89Å; C101-K147 PolarHBondContact O-N 2.8Å; V125-K147 HydrophobicContact CB-CG 4.45Å; V125-K147 HydrophobicContact CG1-CB 3.96Å; V125-K147 HydrophobicContact CG1-CG 4.04Å; V125-K147 VanDerWaalsContact CG1-O 3.31Å; V125-K147 WeakPolarHBondContact CG1-O 3.42Å; V125-K147 WeakPolarHBondContact O-CB 3.41Å; L128-K147 HydrophobicContact CB-CB 4.23Å; L128-K147 HydrophobicContact CB-CD 3.8Å; L128-K147 HydrophobicContact CB-CG 3.8Å; L128-K147 HydrophobicContact CD1-CD 4.26Å; L128-K147 HydrophobicContact CD1-CG 4.5Å; A129-K147 HydrophobicContact CB-CB 3.92Å; K147-D189 IonicContact NZ-OD1 3.76Å; K147-D189 PolarHBondContact NZ-OD1 3.37Å; K147-D189 IonicContact NZ-OD2 2.6Å; K147-D189 PolarHBondContact NZ-OD2 2.89Å |
| 148 | G | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W99 G113 I114 R115 | W99-G148 CarbonylContact O-C 3.52Å; W99-G148 WeakPolarHBondContact O-CA 3.21Å; G113-G148 PolarHBondContact O-N 3.22Å; I114-G148 WeakPolarHBondContact CA-O 3.47Å; R115-G148 PolarHBondContact N-O 3.5Å |
| 149 | G | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 142.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A98 W99 R115 | A98-G149 CarbonylContact C-O 3.47Å; A98-G149 VanDerWaalsContact CA-O 3.27Å; A98-G149 WeakPolarHBondContact CA-O 3.41Å; W99-G149 PolarHBondContact N-O 2.87Å; W99-G149 PolarHBondContact O-N 2.88Å; R115-G149 CarbonylContact O-C 3.58Å; R115-G149 VanDerWaalsContact O-CA 3.3Å; R115-G149 WeakPolarHBondContact O-CA 3.47Å |
| 150 | V | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.6 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | I96 A98 R115 Y116 A117 I152 I165 L169 | I96-V150 HydrophobicContact CG2-CG1 3.54Å; A98-V150 HydrophobicContact CB-CB 4.33Å; A98-V150 HydrophobicContact CB-CG1 4.3Å; A98-V150 HydrophobicContact CB-CG2 3.86Å; R115-V150 PolarHBondContact O-N 3.17Å; Y116-V150 HydrophobicContact CD1-CB 3.61Å; Y116-V150 HydrophobicContact CD1-CG2 3.65Å; Y116-V150 HydrophobicContact CE1-CB 3.87Å; Y116-V150 HydrophobicContact CE1-CG2 3.42Å; Y116-V150 VanDerWaalsContact CE1-CG2 3.42Å; A117-V150 PolarHBondContact N-O 2.77Å; A117-V150 VanDerWaalsContact O-O 3.11Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 HydrophobicContact CB-CG1 4.43Å; V150-I152 HydrophobicContact CG1-CD1 4.12Å; V150-I152 HydrophobicContact CG1-CG1 4.07Å; V150-I152 HydrophobicContact CG1-CG2 4.22Å; V150-I152 PolarHBondContact O-N 2.86Å; V150-I165 HydrophobicContact CG1-CG2 4.48Å; V150-L169 HydrophobicContact CG2-CD1 4.29Å; V150-L169 HydrophobicContact CG2-CD2 3.63Å |
| 151 | R | 94.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 40 Ų | 40 | 34% | 0.34 | 19% | 0.187 | S | C | . | . | trans | -82.2 | 70.2 | -173.9 | -168 | 178.9 | -75.8 | 159 | -3.8 | 111.8 | E97 W99 A117 P118 V120 | E97-R151 HydrophobicContact CB-CB 4.26Å; E97-R151 PolarHBondContact O-N 2.86Å; E97-R151 IonicContact OE1-CZ 3.35Å; E97-R151 IonicContact OE1-NE 3.46Å; E97-R151 IonicContact OE1-NH1 2.71Å; E97-R151 PolarHBondContact OE1-NH1 3.37Å; E97-R151 IonicContact OE2-NH1 3.76Å; E97-R151 PolarHBondContact OE2-NH1 3.33Å; W99-R151 HydrophobicContact CZ3-CB 4.13Å; A117-R151 WeakPolarHBondContact O-CA 3.38Å; P118-R151 WeakPolarHBondContact O-CG 3.37Å; V120-R151 PolarHBondContact O-NE 3.04Å; V120-R151 PolarHBondContact O-NH2 2.87Å | ||
| 152 | I | 94.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | trans | -142 | 148.3 | 178.7 | 61.6 | 178.1 | 0 | 0 | 0 | 111.3 | I96 Y116 A117 V150 P154 Y157 I162 I165 | I96-I152 HydrophobicContact CD1-CG2 3.9Å; I96-I152 HydrophobicContact CG2-CG2 4.4Å; Y116-I152 CarbonylContact C-O 3.58Å; Y116-I152 HydrophobicContact CD1-CD1 4.43Å; Y116-I152 HydrophobicContact CD2-CD1 3.89Å; Y116-I152 HydrophobicContact CD2-CG1 4.46Å; Y116-I152 HydrophobicContact CE2-CD1 4.29Å; Y116-I152 HydrophobicContact CG-CD1 3.97Å; Y116-I152 HydrophobicContact CG-CG1 4.1Å; A117-I152 CarbonylContact C-O 3.12Å; A117-I152 WeakPolarHBondContact CA-O 3.45Å; A117-I152 PolarHBondContact N-O 3.47Å; A117-I152 PolarHBondContact O-N 3.22Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 HydrophobicContact CB-CG1 4.43Å; V150-I152 HydrophobicContact CG1-CD1 4.12Å; V150-I152 HydrophobicContact CG1-CG1 4.07Å; V150-I152 HydrophobicContact CG1-CG2 4.22Å; V150-I152 PolarHBondContact O-N 2.86Å; I152-P154 WeakPolarHBondContact O-CD 3.47Å; I152-Y157 HydrophobicContact CB-CE2 3.76Å; I152-Y157 HydrophobicContact CG2-CE2 4.17Å; I152-Y157 WeakPolarHBondContact CG2-OH 3.36Å; I152-I162 HydrophobicContact CD1-CD1 3.96Å; I152-I165 HydrophobicContact CD1-CD1 4.02Å; I152-I165 HydrophobicContact CD1-CG2 4.31Å | ||
| 153 | D | 92.7 | Very high | 93.4 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | trans | -95.9 | 104 | 161.1 | -175.1 | -21.7 | 0 | 0 | 0 | 108.9 | P118 R155 N156 Y157 | P118-D153 HydrophobicContact CB-CB 4.34Å; P118-D153 HydrophobicContact CG-CB 4.27Å; D153-R155 PolarHBondContact O-N 2.99Å; D153-R155 WeakPolarHBondContact OD1-CB 3.5Å; D153-R155 WeakPolarHBondContact OD1-CG 3.37Å; D153-R155 IonicContact OD1-CZ 3.26Å; D153-R155 PolarHBondContact OD1-N 3.01Å; D153-R155 VanDerWaalsContact OD1-N 3.11Å; D153-R155 IonicContact OD1-NE 3.88Å; D153-R155 PolarHBondContact OD1-NE 3.47Å; D153-R155 IonicContact OD1-NH2 3.32Å; D153-R155 IonicContact OD2-CZ 2.85Å; D153-R155 IonicContact OD2-NE 2.79Å; D153-R155 PolarHBondContact OD2-NE 3.43Å; D153-R155 IonicContact OD2-NH2 3.64Å; D153-R155 PolarHBondContact OD2-NH2 3.48Å; D153-N156 WeakPolarHBondContact O-CB 3.48Å; D153-N156 PolarHBondContact O-N 3.04Å; D153-Y157 WeakPolarHBondContact O-CD2 3.43Å; D153-Y157 WeakPolarHBondContact O-CE2 3.47Å | ||
| 154 | P | 90.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -65.8 | -8.5 | -171.6 | 25.2 | -32.5 | 0 | 0 | 0 | 114.5 | Y116 I152 N156 Y157 I162 S191 | Y116-P154 HydrophobicContact CD2-CB 4.41Å; I152-P154 WeakPolarHBondContact O-CD 3.47Å; P154-N156 PolarHBondContact O-N 3.46Å; P154-Y157 PolarHBondContact O-N 3.2Å; P154-I162 HydrophobicContact CB-CD1 3.76Å; P154-I162 HydrophobicContact CB-CG1 4.41Å; P154-S191 VanDerWaalsContact CG-CB 3.49Å |
| 155 | R | 90.2 | Very high | 93.8 | Very high | 207 Ų | 207 | 43.8 Ų | 43.8 | 78% | 0.781 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -69.2 | -23.8 | 170.7 | -60.4 | 174.6 | -68.8 | -177.8 | 3.1 | 112.4 | D153 Y157 | D153-R155 PolarHBondContact O-N 2.99Å; D153-R155 WeakPolarHBondContact OD1-CB 3.5Å; D153-R155 WeakPolarHBondContact OD1-CG 3.37Å; D153-R155 IonicContact OD1-CZ 3.26Å; D153-R155 PolarHBondContact OD1-N 3.01Å; D153-R155 VanDerWaalsContact OD1-N 3.11Å; D153-R155 IonicContact OD1-NE 3.88Å; D153-R155 PolarHBondContact OD1-NE 3.47Å; D153-R155 IonicContact OD1-NH2 3.32Å; D153-R155 IonicContact OD2-CZ 2.85Å; D153-R155 IonicContact OD2-NE 2.79Å; D153-R155 PolarHBondContact OD2-NE 3.43Å; D153-R155 IonicContact OD2-NH2 3.64Å; D153-R155 PolarHBondContact OD2-NH2 3.48Å; R155-Y157 VanDerWaalsContact C-N 3.27Å; R155-Y157 PolarHBondContact O-N 2.88Å |
| 156 | N | 93.7 | Very high | 94.1 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 58% | 0.578 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -87.2 | 12.6 | 179.7 | -62.8 | -15.9 | 0 | 0 | 0 | 113 | R88 D153 P154 | R88-N156 PolarHBondContact NH2-O 2.93Å; D153-N156 WeakPolarHBondContact O-CB 3.48Å; D153-N156 PolarHBondContact O-N 3.04Å; P154-N156 PolarHBondContact O-N 3.46Å |
| 157 | Y | 93.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -136.5 | 149.8 | -174.9 | -56.6 | -100.1 | 0 | 0 | 0 | 112 | I86 R88 E94 I152 D153 P154 R155 E161 I162 I165 | I86-Y157 HydrophobicContact CD1-CE1 4.47Å; R88-Y157 VanDerWaalsContact NH1-CE1 3.28Å; E94-Y157 PolarHBondContact OE1-OH 3.47Å; E94-Y157 WeakPolarHBondContact OE2-CE1 3.2Å; I152-Y157 HydrophobicContact CB-CE2 3.76Å; I152-Y157 HydrophobicContact CG2-CE2 4.17Å; I152-Y157 WeakPolarHBondContact CG2-OH 3.36Å; D153-Y157 WeakPolarHBondContact O-CD2 3.43Å; D153-Y157 WeakPolarHBondContact O-CE2 3.47Å; P154-Y157 PolarHBondContact O-N 3.2Å; R155-Y157 VanDerWaalsContact C-N 3.27Å; R155-Y157 PolarHBondContact O-N 2.88Å; Y157-E161 VanDerWaalsContact CA-OE2 3.23Å; Y157-E161 WeakPolarHBondContact CA-OE2 3.37Å; Y157-E161 HydrophobicContact CD1-CB 4.23Å; Y157-I162 HydrophobicContact CD2-CD1 4.13Å; Y157-I162 HydrophobicContact CG-CD1 3.96Å; Y157-I165 HydrophobicContact CD1-CD1 4.11Å; Y157-I165 HydrophobicContact CE1-CD1 4.23Å |
| 158 | S | 94.7 | Very high | 94.1 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | trans | -70 | 157.5 | 170.4 | 104 | 0 | 0 | 0 | 0 | 111 | D89 R160 E161 I162 | D89-S158 WeakPolarHBondContact OD2-CB 3.31Å; D89-S158 PolarHBondContact OD2-OG 2.83Å; S158-R160 PolarHBondContact O-N 3.32Å; S158-R160 VanDerWaalsContact O-N 3.16Å; S158-R160 PolarHBondContact OG-N 3.35Å; S158-E161 PolarHBondContact N-OE2 3.26Å; S158-E161 PolarHBondContact O-N 2.2Å; S158-E161 VanDerWaalsContact O-N 3.12Å; S158-E161 PolarHBondContact OG-N 2.86Å; S158-E161 VanDerWaalsContact OG-N 3.14Å; S158-I162 WeakPolarHBondContact O-CG1 3.38Å; S158-I162 PolarHBondContact O-N 3.15Å | ||
| 159 | S | 92.7 | Very high | 94.1 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.2 | -19.6 | 173.7 | -71.3 | 0 | 0 | 0 | 0 | 113.5 | E163 R195 | S159-E163 WeakPolarHBondContact O-CB 3.5Å; S159-E163 PolarHBondContact O-N 3.26Å; S159-E163 VanDerWaalsContact O-N 3.08Å; S159-R195 PolarHBondContact OG-NH1 3.41Å |
| 160 | R | 92.8 | Very high | 94.1 | Very high | 186 Ų | 186 | 49.5 Ų | 49.5 | 70% | 0.702 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -80.7 | -35.6 | 172.7 | -66.2 | -179.9 | 176.3 | 174.9 | -1.3 | 112.2 | S158 R164 | S158-R160 PolarHBondContact O-N 3.32Å; S158-R160 VanDerWaalsContact O-N 3.16Å; S158-R160 PolarHBondContact OG-N 3.35Å; R160-R164 WeakPolarHBondContact O-CB 3.43Å; R160-R164 VanDerWaalsContact O-CG 3.27Å; R160-R164 WeakPolarHBondContact O-CG 3.31Å; R160-R164 PolarHBondContact O-N 3.02Å; R160-R164 PolarHBondContact O-NE 3.42Å |
| 161 | E | 94.6 | Very high | 94 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 171.3 | -68.4 | 175 | 136 | 0 | 0 | 110.1 | R88 D89 Y157 S158 E163 R164 I165 | R88-E161 WeakPolarHBondContact CA-OE1 3.3Å; R88-E161 VanDerWaalsContact CB-OE1 3.3Å; R88-E161 WeakPolarHBondContact CB-OE1 3.29Å; R88-E161 IonicContact CZ-OE1 3.42Å; R88-E161 IonicContact CZ-OE2 2.73Å; R88-E161 IonicContact NE-OE1 3.4Å; R88-E161 PolarHBondContact NE-OE1 3.15Å; R88-E161 IonicContact NE-OE2 3.22Å; R88-E161 VanDerWaalsContact NH2-CD 3.3Å; R88-E161 IonicContact NH2-OE1 2.2Å; R88-E161 PolarHBondContact NH2-OE1 3.42Å; R88-E161 IonicContact NH2-OE2 3.43Å; R88-E161 PolarHBondContact NH2-OE2 2.93Å; D89-E161 HydrophobicContact CB-CG 4.28Å; D89-E161 PolarHBondContact N-OE1 2.93Å; D89-E161 WeakPolarHBondContact OD1-CG 3.32Å; Y157-E161 VanDerWaalsContact CA-OE2 3.23Å; Y157-E161 WeakPolarHBondContact CA-OE2 3.37Å; Y157-E161 HydrophobicContact CD1-CB 4.23Å; S158-E161 PolarHBondContact N-OE2 3.26Å; S158-E161 PolarHBondContact O-N 2.2Å; S158-E161 VanDerWaalsContact O-N 3.12Å; S158-E161 PolarHBondContact OG-N 2.86Å; S158-E161 VanDerWaalsContact OG-N 3.14Å; E161-E163 PolarHBondContact O-N 2.91Å; E161-R164 PolarHBondContact O-N 2.91Å; E161-I165 VanDerWaalsContact O-CG1 3.29Å; E161-I165 WeakPolarHBondContact O-CG1 3.48Å; E161-I165 PolarHBondContact O-N 2.91Å |
| 162 | I | 95.5 | Very high | 94 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.4 | -63.6 | -58.6 | 0 | 0 | 0 | 112.2 | Y116 I152 P154 Y157 S158 I165 T166 W199 | Y116-I162 HydrophobicContact CE2-CG2 4.06Å; I152-I162 HydrophobicContact CD1-CD1 3.96Å; P154-I162 HydrophobicContact CB-CD1 3.76Å; P154-I162 HydrophobicContact CB-CG1 4.41Å; Y157-I162 HydrophobicContact CD2-CD1 4.13Å; Y157-I162 HydrophobicContact CG-CD1 3.96Å; S158-I162 WeakPolarHBondContact O-CG1 3.38Å; S158-I162 PolarHBondContact O-N 3.15Å; I162-I165 HydrophobicContact CD1-CD1 4.23Å; I162-T166 WeakPolarHBondContact O-CB 3.3Å; I162-T166 PolarHBondContact O-N 3.11Å; I162-T166 PolarHBondContact O-OG1 3.16Å; I162-W199 HydrophobicContact CG2-CZ3 4.06Å |
| 163 | E | 94.7 | Very high | 94 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 172.7 | -178.1 | 165.8 | -173.3 | 0 | 0 | 111.3 | S159 E161 I165 T166 R167 W199 | S159-E163 WeakPolarHBondContact O-CB 3.5Å; S159-E163 PolarHBondContact O-N 3.26Å; S159-E163 VanDerWaalsContact O-N 3.08Å; E161-E163 PolarHBondContact O-N 2.91Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 PolarHBondContact O-N 3.23Å; E163-T166 PolarHBondContact O-N 3.38Å; E163-T166 VanDerWaalsContact O-N 3.13Å; E163-R167 HydrophobicContact CG-CG 4.15Å; E163-R167 WeakPolarHBondContact O-CG 3.48Å; E163-R167 PolarHBondContact O-N 3.13Å; E163-R167 IonicContact OE1-CZ 3.31Å; E163-R167 VanDerWaalsContact OE1-CZ 3.23Å; E163-R167 IonicContact OE1-NE 2.87Å; E163-R167 PolarHBondContact OE1-NE 3.35Å; E163-R167 IonicContact OE1-NH2 2.85Å; E163-R167 PolarHBondContact OE1-NH2 3.27Å; E163-W199 HydrophobicContact CB-CD2 4.13Å; E163-W199 HydrophobicContact CB-CE3 4.2Å; E163-W199 HydrophobicContact CB-CH2 3.73Å; E163-W199 HydrophobicContact CB-CZ2 3.62Å; E163-W199 HydrophobicContact CB-CZ3 4.04Å; E163-W199 HydrophobicContact CG-CD2 3.81Å; E163-W199 HydrophobicContact CG-CE3 4.31Å; E163-W199 HydrophobicContact CG-CG 4.11Å; E163-W199 HydrophobicContact CG-CH2 4.42Å; E163-W199 HydrophobicContact CG-CZ2 3.91Å; E163-W199 PolarHBondContact OE1-NE1 2.9Å |
| 164 | R | 94.4 | Very high | 94 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | -178.7 | -70.4 | -178.4 | -65 | 140.4 | 1.7 | 112.1 | T87 D89 R160 E161 R168 | T87-R164 VanDerWaalsContact O-CZ 3.23Å; T87-R164 PolarHBondContact O-NH1 3.21Å; T87-R164 PolarHBondContact O-NH2 2.89Å; D89-R164 IonicContact OD1-CZ 3.7Å; D89-R164 IonicContact OD1-NH2 3.15Å; D89-R164 PolarHBondContact OD1-NH2 3.1Å; R160-R164 WeakPolarHBondContact O-CB 3.43Å; R160-R164 VanDerWaalsContact O-CG 3.27Å; R160-R164 WeakPolarHBondContact O-CG 3.31Å; R160-R164 PolarHBondContact O-N 3.02Å; R160-R164 PolarHBondContact O-NE 3.42Å; E161-R164 PolarHBondContact O-N 2.91Å; R164-R168 PolarHBondContact O-N 2.75Å |
| 165 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -52.2 | 170.8 | -67.2 | 163.3 | 0 | 0 | 0 | 110.8 | F84 I86 I96 V150 I152 Y157 E161 I162 E163 R167 R168 L169 | F84-I165 HydrophobicContact CZ-CG2 4.42Å; I86-I165 HydrophobicContact CD1-CD1 3.78Å; I86-I165 HydrophobicContact CD1-CG1 3.77Å; I86-I165 HydrophobicContact CG2-CG1 4.05Å; I96-I165 HydrophobicContact CD1-CD1 4.13Å; I96-I165 HydrophobicContact CD1-CG1 4.38Å; I96-I165 HydrophobicContact CG1-CG1 4.22Å; I96-I165 HydrophobicContact CG2-CG2 4.1Å; V150-I165 HydrophobicContact CG1-CG2 4.48Å; I152-I165 HydrophobicContact CD1-CD1 4.02Å; I152-I165 HydrophobicContact CD1-CG2 4.31Å; Y157-I165 HydrophobicContact CD1-CD1 4.11Å; Y157-I165 HydrophobicContact CE1-CD1 4.23Å; E161-I165 VanDerWaalsContact O-CG1 3.29Å; E161-I165 WeakPolarHBondContact O-CG1 3.48Å; E161-I165 PolarHBondContact O-N 2.91Å; I162-I165 HydrophobicContact CD1-CD1 4.23Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 PolarHBondContact O-N 3.23Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.22Å; I165-R168 PolarHBondContact O-N 3.42Å; I165-L169 VanDerWaalsContact O-CB 3.29Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.12Å |
| 166 | T | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | -178.1 | -52 | 0 | 0 | 0 | 0 | 111.5 | Y116 I162 E163 T170 E196 W199 I200 | Y116-T166 PolarHBondContact OH-OG1 2.84Å; I162-T166 WeakPolarHBondContact O-CB 3.3Å; I162-T166 PolarHBondContact O-N 3.11Å; I162-T166 PolarHBondContact O-OG1 3.16Å; E163-T166 PolarHBondContact O-N 3.38Å; E163-T166 VanDerWaalsContact O-N 3.13Å; T166-T170 PolarHBondContact O-N 2.78Å; T166-T170 PolarHBondContact O-OG1 2.88Å; T166-E196 HydrophobicContact CG2-CB 4.19Å; T166-W199 HydrophobicContact CG2-CB 4.07Å; T166-W199 HydrophobicContact CG2-CE3 4.16Å; T166-I200 HydrophobicContact CG2-CD1 4.32Å; T166-I200 HydrophobicContact CG2-CG1 3.83Å |
| 167 | R | 95.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 36.6 Ų | 36.6 | 26% | 0.26 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 179.8 | -66.9 | -169.3 | 175.6 | -93.3 | 8.9 | 112.1 | E163 I165 T170 I171 W199 D202 T203 | E163-R167 HydrophobicContact CG-CG 4.15Å; E163-R167 WeakPolarHBondContact O-CG 3.48Å; E163-R167 PolarHBondContact O-N 3.13Å; E163-R167 IonicContact OE1-CZ 3.31Å; E163-R167 VanDerWaalsContact OE1-CZ 3.23Å; E163-R167 IonicContact OE1-NE 2.87Å; E163-R167 PolarHBondContact OE1-NE 3.35Å; E163-R167 IonicContact OE1-NH2 2.85Å; E163-R167 PolarHBondContact OE1-NH2 3.27Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.22Å; R167-T170 WeakPolarHBondContact O-CB 3.46Å; R167-T170 PolarHBondContact O-N 3.35Å; R167-I171 PolarHBondContact O-N 3.25Å; R167-W199 HydrophobicContact CG-CB 4.46Å; R167-D202 IonicContact CZ-OD2 2.86Å; R167-D202 IonicContact NH1-OD2 3.9Å; R167-D202 PolarHBondContact NH1-OD2 3.15Å; R167-D202 IonicContact NH2-OD2 3.03Å; R167-D202 PolarHBondContact NH2-OD2 2.86Å; R167-T203 HydrophobicContact CB-CG2 4.39Å; R167-T203 WeakPolarHBondContact CG-OG1 3.26Å; R167-T203 PolarHBondContact NH1-OG1 3.13Å |
| 168 | R | 94 | Very high | 93.6 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 20% | 0.2 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.8 | -176.5 | 58.9 | -173.4 | -139.7 | -0.8 | 111.9 | F84 R164 I165 T170 I171 E172 | F84-R168 HydrophobicContact CB-CG 4.3Å; F84-R168 HydrophobicContact CD1-CG 4.21Å; F84-R168 HydrophobicContact CD2-CB 4.07Å; F84-R168 HydrophobicContact CD2-CG 3.52Å; F84-R168 HydrophobicContact CE1-CG 4.44Å; F84-R168 HydrophobicContact CE2-CB 3.83Å; F84-R168 HydrophobicContact CE2-CG 3.78Å; F84-R168 HydrophobicContact CG-CG 3.75Å; F84-R168 HydrophobicContact CZ-CB 4.24Å; F84-R168 HydrophobicContact CZ-CG 4.24Å; R164-R168 PolarHBondContact O-N 2.75Å; I165-R168 PolarHBondContact O-N 3.42Å; R168-T170 VanDerWaalsContact C-N 3.28Å; R168-T170 PolarHBondContact O-N 3.09Å; R168-I171 PolarHBondContact O-N 3.42Å; R168-I171 VanDerWaalsContact O-N 3.14Å; R168-E172 IonicContact CZ-OE1 3.71Å; R168-E172 IonicContact NE-OE1 2.97Å; R168-E172 PolarHBondContact NE-OE1 3.17Å; R168-E172 IonicContact NH2-OE1 3.61Å; R168-E172 PolarHBondContact NH2-OE1 2.82Å; R168-E172 PolarHBondContact O-N 2.92Å; R168-E172 VanDerWaalsContact O-N 3.15Å |
| 169 | L | 95.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.6 | -42.2 | 175.1 | -171.8 | 74.2 | 0 | 0 | 0 | 112 | V82 F84 A98 I114 V150 I165 I171 E172 F173 | V82-L169 HydrophobicContact CG2-CD1 4.2Å; F84-L169 HydrophobicContact CE1-CB 4.33Å; F84-L169 HydrophobicContact CE1-CD1 3.95Å; F84-L169 HydrophobicContact CZ-CB 4.15Å; F84-L169 HydrophobicContact CZ-CD1 4.36Å; A98-L169 HydrophobicContact CB-CD1 3.44Å; A98-L169 VanDerWaalsContact CB-CD1 3.44Å; I114-L169 HydrophobicContact CG2-CD2 4.37Å; V150-L169 HydrophobicContact CG2-CD1 4.29Å; V150-L169 HydrophobicContact CG2-CD2 3.63Å; I165-L169 VanDerWaalsContact O-CB 3.29Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.12Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3Å; L169-E172 PolarHBondContact O-N 2.9Å; L169-F173 HydrophobicContact CD1-CD1 4.4Å; L169-F173 HydrophobicContact CD1-CE1 3.78Å; L169-F173 HydrophobicContact CD1-CE2 3.94Å; L169-F173 HydrophobicContact CD1-CZ 3.52Å; L169-F173 HydrophobicContact CD2-CE2 3.91Å; L169-F173 HydrophobicContact CD2-CZ 4.24Å; L169-F173 HydrophobicContact CG-CD2 4.11Å; L169-F173 HydrophobicContact CG-CE1 4.35Å; L169-F173 HydrophobicContact CG-CE2 3.74Å; L169-F173 HydrophobicContact CG-CZ 3.88Å; L169-F173 PolarHBondContact O-N 3.01Å |
| 170 | T | 95.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.8 | -45.3 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | T166 R167 R168 A174 L179 I200 T203 | T166-T170 PolarHBondContact O-N 2.78Å; T166-T170 PolarHBondContact O-OG1 2.88Å; R167-T170 WeakPolarHBondContact O-CB 3.46Å; R167-T170 PolarHBondContact O-N 3.35Å; R168-T170 VanDerWaalsContact C-N 3.28Å; R168-T170 PolarHBondContact O-N 3.09Å; T170-A174 WeakPolarHBondContact O-CB 3.36Å; T170-A174 PolarHBondContact O-N 2.94Å; T170-L179 HydrophobicContact CG2-CD2 3.57Å; T170-I200 HydrophobicContact CG2-CG2 4.16Å; T170-I200 WeakPolarHBondContact OG1-CG1 3.03Å; T170-T203 HydrophobicContact CG2-CG2 4.06Å |
| 171 | I | 93.7 | Very high | 93.5 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 10% | 0.097 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | -179.8 | -65.9 | 168.2 | 0 | 0 | 0 | 110.9 | R167 R168 L169 K175 T203 F1042 | R167-I171 PolarHBondContact O-N 3.25Å; R168-I171 PolarHBondContact O-N 3.42Å; R168-I171 VanDerWaalsContact O-N 3.14Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3Å; I171-K175 HydrophobicContact CG2-CD 3.93Å; I171-K175 HydrophobicContact CG2-CG 4.33Å; I171-K175 WeakPolarHBondContact O-CB 3.4Å; I171-K175 VanDerWaalsContact O-CG 3.26Å; I171-K175 WeakPolarHBondContact O-CG 3.22Å; I171-K175 PolarHBondContact O-N 3.33Å; I171-T203 HydrophobicContact CD1-CG2 4.22Å; I171-T203 HydrophobicContact CG1-CG2 3.85Å; I171-F1042 HydrophobicContact CD1-CD1 4.45Å; I171-F1042 HydrophobicContact CD1-CE1 3.95Å |
| 172 | E | 93.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.7 | -44 | -179.3 | -59.3 | -61.8 | 178.4 | 0 | 0 | 112.5 | V82 F84 R168 L169 K176 K597 | V82-E172 HydrophobicContact CG1-CB 4.18Å; F84-E172 HydrophobicContact CD1-CG 4.43Å; R168-E172 IonicContact CZ-OE1 3.71Å; R168-E172 IonicContact NE-OE1 2.97Å; R168-E172 PolarHBondContact NE-OE1 3.17Å; R168-E172 IonicContact NH2-OE1 3.61Å; R168-E172 PolarHBondContact NH2-OE1 2.82Å; R168-E172 PolarHBondContact O-N 2.92Å; R168-E172 VanDerWaalsContact O-N 3.15Å; L169-E172 PolarHBondContact O-N 2.9Å; E172-K176 WeakPolarHBondContact O-CG 3.47Å; E172-K176 PolarHBondContact O-N 2.9Å; E172-K597 IonicContact OE1-NZ 3.88Å; E172-K597 WeakPolarHBondContact OE2-CE 3.34Å; E172-K597 IonicContact OE2-NZ 3.52Å; E172-K597 PolarHBondContact OE2-NZ 2.77Å |
| 173 | F | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.1 | -71.2 | -6.1 | 0 | 0 | 0 | 111.5 | L80 V82 R100 I114 L169 K176 G177 F178 L179 | L80-F173 HydrophobicContact CD2-CD1 4.19Å; V82-F173 HydrophobicContact CG2-CE1 4.1Å; R100-F173 HydrophobicContact CB-CD1 4.32Å; R100-F173 HydrophobicContact CB-CE1 3.87Å; R100-F173 HydrophobicContact CB-CE2 4.14Å; R100-F173 HydrophobicContact CB-CZ 3.77Å; R100-F173 HydrophobicContact CG-CE2 4.48Å; I114-F173 HydrophobicContact CD1-CE2 4.37Å; L169-F173 HydrophobicContact CD1-CD1 4.4Å; L169-F173 HydrophobicContact CD1-CE1 3.78Å; L169-F173 HydrophobicContact CD1-CE2 3.94Å; L169-F173 HydrophobicContact CD1-CZ 3.52Å; L169-F173 HydrophobicContact CD2-CE2 3.91Å; L169-F173 HydrophobicContact CD2-CZ 4.24Å; L169-F173 HydrophobicContact CG-CD2 4.11Å; L169-F173 HydrophobicContact CG-CE1 4.35Å; L169-F173 HydrophobicContact CG-CE2 3.74Å; L169-F173 HydrophobicContact CG-CZ 3.88Å; L169-F173 PolarHBondContact O-N 3.01Å; F173-K176 PolarHBondContact O-N 2.96Å; F173-G177 PolarHBondContact O-N 3.32Å; F173-F178 HydrophobicContact CB-CB 4.13Å; F173-F178 HydrophobicContact CG-CB 4.47Å; F173-F178 CarbonylContact O-C 3.45Å; F173-F178 WeakPolarHBondContact O-CA 3.38Å; F173-F178 PolarHBondContact O-N 3.29Å; F173-L179 HydrophobicContact CB-CB 4.12Å; F173-L179 PolarHBondContact O-N 3.44Å |
| 174 | A | 92.1 | Very high | 93 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 8% | 0.083 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64 | -47.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T170 K176 G177 L179 Y204 I208 | T170-A174 WeakPolarHBondContact O-CB 3.36Å; T170-A174 PolarHBondContact O-N 2.94Å; A174-K176 PolarHBondContact O-N 2.76Å; A174-K176 VanDerWaalsContact O-N 3.16Å; A174-G177 PolarHBondContact O-N 2.99Å; A174-G177 VanDerWaalsContact O-N 3.09Å; A174-L179 HydrophobicContact CB-CB 4.33Å; A174-L179 HydrophobicContact CB-CD2 4.36Å; A174-Y204 HydrophobicContact CB-CD2 3.83Å; A174-Y204 HydrophobicContact CB-CE2 3.95Å; A174-I208 HydrophobicContact CB-CB 4.37Å; A174-I208 HydrophobicContact CB-CD1 3.46Å; A174-I208 VanDerWaalsContact CB-CD1 3.46Å; A174-I208 HydrophobicContact CB-CG2 4.48Å |
| 175 | K | 88.8 | Confident | 93.1 | Very high | 126 Ų | 126 | 20.6 Ų | 20.6 | 55% | 0.548 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -57.8 | -29.7 | 178.9 | -79.4 | -179.4 | 177 | 179.3 | 0 | 113.8 | I171 I208 | I171-K175 HydrophobicContact CG2-CD 3.93Å; I171-K175 HydrophobicContact CG2-CG 4.33Å; I171-K175 WeakPolarHBondContact O-CB 3.4Å; I171-K175 VanDerWaalsContact O-CG 3.26Å; I171-K175 WeakPolarHBondContact O-CG 3.22Å; I171-K175 PolarHBondContact O-N 3.33Å; K175-I208 HydrophobicContact CG-CD1 3.74Å |
| 176 | K | 90.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 9.6 | -178.1 | -59.4 | -62.3 | -170.3 | 171.4 | 0 | 113.1 | L80 E172 F173 A174 F178 K597 K695 G696 F697 | L80-K176 HydrophobicContact CD1-CG 4.5Å; L80-K176 HydrophobicContact CD2-CB 3.76Å; L80-K176 HydrophobicContact CD2-CG 4.19Å; E172-K176 WeakPolarHBondContact O-CG 3.47Å; E172-K176 PolarHBondContact O-N 2.9Å; F173-K176 PolarHBondContact O-N 2.96Å; A174-K176 PolarHBondContact O-N 2.76Å; A174-K176 VanDerWaalsContact O-N 3.16Å; K176-F178 HydrophobicContact CB-CD2 4.2Å; K176-F178 VanDerWaalsContact O-CD2 3.27Å; K176-F178 WeakPolarHBondContact O-CD2 3.34Å; K176-K597 HydrophobicContact CD-CD 4.32Å; K176-K597 HydrophobicContact CG-CD 4.29Å; K176-K695 WeakPolarHBondContact CD-O 3.47Å; K176-K695 WeakPolarHBondContact O-CD 3.16Å; K176-G696 PolarHBondContact NZ-O 2.68Å; K176-F697 HydrophobicContact CD-CD2 4.23Å; K176-F697 HydrophobicContact CD-CE2 3.73Å; K176-F697 HydrophobicContact CD-CZ 4.49Å; K176-F697 HydrophobicContact CG-CE2 4.42Å |
| 177 | G | 88.2 | Confident | 92.9 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 18% | 0.175 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 36.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q102 F173 A174 V183 K695 | Q102-G177 PolarHBondContact NE2-O 2.82Å; F173-G177 PolarHBondContact O-N 3.32Å; A174-G177 PolarHBondContact O-N 2.99Å; A174-G177 VanDerWaalsContact O-N 3.09Å; G177-V183 VanDerWaalsContact O-CG1 3.29Å; G177-V183 WeakPolarHBondContact O-CG1 3.29Å; G177-K695 PolarHBondContact O-NZ 3.29Å |
| 178 | F | 93.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -114.2 | 12.7 | 174.7 | -80 | -91.9 | 0 | 0 | 0 | 113 | K78 L80 R100 Q102 F173 K176 L599 K695 | K78-F178 HydrophobicContact CB-CZ 4.19Å; K78-F178 HydrophobicContact CD-CE1 4.36Å; K78-F178 HydrophobicContact CD-CE2 4.24Å; K78-F178 HydrophobicContact CD-CZ 3.7Å; K78-F178 HydrophobicContact CG-CE1 4.12Å; K78-F178 HydrophobicContact CG-CZ 3.75Å; L80-F178 HydrophobicContact CB-CD1 4.34Å; L80-F178 HydrophobicContact CB-CD2 3.88Å; L80-F178 HydrophobicContact CB-CE1 4.03Å; L80-F178 HydrophobicContact CB-CE2 3.56Å; L80-F178 HydrophobicContact CB-CG 4.26Å; L80-F178 HydrophobicContact CB-CZ 3.62Å; L80-F178 HydrophobicContact CD2-CB 4.35Å; L80-F178 HydrophobicContact CD2-CD2 3.6Å; L80-F178 HydrophobicContact CD2-CE2 4.05Å; L80-F178 HydrophobicContact CD2-CG 4.05Å; L80-F178 HydrophobicContact CG-CD2 4.33Å; L80-F178 HydrophobicContact CG-CE2 4.32Å; R100-F178 HydrophobicContact CB-CB 4.42Å; R100-F178 HydrophobicContact CB-CD1 3.87Å; R100-F178 HydrophobicContact CB-CG 4.41Å; R100-F178 HydrophobicContact CG-CB 4.13Å; R100-F178 HydrophobicContact CG-CD1 3.62Å; R100-F178 HydrophobicContact CG-CG 4.29Å; R100-F178 WeakPolarHBondContact O-CE1 3.39Å; Q102-F178 HydrophobicContact CB-CE1 4.27Å; Q102-F178 VanDerWaalsContact CD-CD1 3.49Å; Q102-F178 HydrophobicContact CG-CD1 3.82Å; Q102-F178 HydrophobicContact CG-CE1 3.82Å; Q102-F178 VanDerWaalsContact NE2-CD1 3.34Å; F173-F178 HydrophobicContact CB-CB 4.13Å; F173-F178 HydrophobicContact CG-CB 4.47Å; F173-F178 CarbonylContact O-C 3.45Å; F173-F178 WeakPolarHBondContact O-CA 3.38Å; F173-F178 PolarHBondContact O-N 3.29Å; K176-F178 HydrophobicContact CB-CD2 4.2Å; K176-F178 VanDerWaalsContact O-CD2 3.27Å; K176-F178 WeakPolarHBondContact O-CD2 3.34Å; F178-L599 HydrophobicContact CE2-CD1 4.2Å; F178-L599 HydrophobicContact CZ-CD1 4.2Å; F178-K695 HydrophobicContact CE2-CD 4.19Å |
| 179 | L | 94.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -151.3 | 134.2 | 171.1 | 176.5 | 63.3 | 0 | 0 | 0 | 109.9 | T170 F173 A174 D184 P186 I200 Y204 C218 | T170-L179 HydrophobicContact CG2-CD2 3.57Å; F173-L179 HydrophobicContact CB-CB 4.12Å; F173-L179 PolarHBondContact O-N 3.44Å; A174-L179 HydrophobicContact CB-CB 4.33Å; A174-L179 HydrophobicContact CB-CD2 4.36Å; L179-D184 WeakPolarHBondContact CA-O 3.11Å; L179-P186 VanDerWaalsContact CD1-CD 3.44Å; L179-P186 HydrophobicContact CD1-CG 3.6Å; L179-I200 HydrophobicContact CD1-CG2 4.13Å; L179-I200 HydrophobicContact CD2-CG2 3.83Å; L179-Y204 HydrophobicContact CD2-CD2 3.74Å; L179-Y204 HydrophobicContact CD2-CG 4.32Å; L179-Y204 HydrophobicContact CG-CD2 3.85Å; L179-Y204 HydrophobicContact CG-CE2 4.16Å; L179-C218 HydrophobicContact CD1-CB 4.15Å; L179-C218 WeakPolarHBondContact CD1-O 3.45Å; L179-C218 HydrophobicContact CG-CB 4.48Å |
| 180 | G | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | 158.5 | 154.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G182 V183 D184 Y204 | G180-G182 VanDerWaalsContact C-N 3.32Å; G180-G182 PolarHBondContact O-N 3.24Å; G180-V183 PolarHBondContact O-N 2.79Å; G180-D184 PolarHBondContact N-O 3.48Å; G180-D184 PolarHBondContact O-N 2.94Å; G180-D184 VanDerWaalsContact O-N 3.07Å; G180-Y204 WeakPolarHBondContact CA-OH 3.13Å |
| 181 | P | 91.7 | Very high | 91.5 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 5% | 0.045 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -41.7 | -170.4 | -30.4 | 37.9 | 0 | 0 | 0 | 115.2 | V185 D212 D214 A217 C218 W395 L399 | P181-V185 WeakPolarHBondContact O-CG2 3.42Å; P181-D212 WeakPolarHBondContact CD-OD2 3.38Å; P181-D212 VanDerWaalsContact CG-OD2 3.3Å; P181-D212 WeakPolarHBondContact CG-OD2 3.38Å; P181-D214 HydrophobicContact CB-CB 4.22Å; P181-D214 HydrophobicContact CG-CB 4.24Å; P181-D214 WeakPolarHBondContact CG-O 2.98Å; P181-A217 HydrophobicContact CB-CB 4.06Å; P181-A217 HydrophobicContact CG-CB 4.39Å; P181-C218 HydrophobicContact CG-CB 4.17Å; P181-W395 PolarHBondContact O-NE1 3.17Å; P181-L399 HydrophobicContact CB-CD2 4.29Å |
| 182 | G | 90.8 | Very high | 91.4 | Very high | 46 Ų | 46 | 27.1 Ų | 27.1 | 47% | 0.474 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 12.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T108 G180 | T108-G182 WeakPolarHBondContact CB-O 3.37Å; G180-G182 VanDerWaalsContact C-N 3.32Å; G180-G182 PolarHBondContact O-N 3.24Å |
| 183 | V | 90 | Very high | 91.3 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -64.9 | -171.9 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | P109 C110 G177 G180 | P109-V183 CarbonylContact C-O 3.48Å; P109-V183 VanDerWaalsContact CA-O 3.32Å; P109-V183 WeakPolarHBondContact CA-O 3.26Å; C110-V183 PolarHBondContact N-O 2.8Å; G177-V183 VanDerWaalsContact O-CG1 3.29Å; G177-V183 WeakPolarHBondContact O-CG1 3.29Å; G180-V183 PolarHBondContact O-N 2.79Å |
| 184 | D | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 124.7 | -177.2 | -170.4 | -3.5 | 0 | 0 | 0 | 108.5 | R100 Q102 C110 S146 L179 G180 P186 | R100-D184 IonicContact CZ-OD1 3.63Å; R100-D184 IonicContact CZ-OD2 2.72Å; R100-D184 IonicContact NE-OD1 2.68Å; R100-D184 IonicContact NE-OD2 3.6Å; R100-D184 PolarHBondContact NE-OD2 3.06Å; R100-D184 IonicContact NH2-OD1 3.5Å; R100-D184 PolarHBondContact NH2-OD1 2.91Å; R100-D184 IonicContact NH2-OD2 3.46Å; Q102-D184 WeakPolarHBondContact CG-OD2 3.41Å; Q102-D184 VanDerWaalsContact NE2-CB 3.29Å; Q102-D184 PolarHBondContact NE2-OD2 3.19Å; C110-D184 HydrophobicContact CB-CB 4.31Å; C110-D184 WeakPolarHBondContact O-CA 3.48Å; S146-D184 WeakPolarHBondContact CB-OD1 3.34Å; S146-D184 PolarHBondContact OG-OD1 3.19Å; L179-D184 WeakPolarHBondContact CA-O 3.11Å; G180-D184 PolarHBondContact N-O 3.48Å; G180-D184 PolarHBondContact O-N 2.94Å; G180-D184 VanDerWaalsContact O-N 3.07Å; D184-P186 WeakPolarHBondContact O-CD 3.26Å |
| 185 | V | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 92 | -166.8 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | P109 C110 K111 P181 A217 C218 T220 | P109-V185 HydrophobicContact CB-CG2 3.69Å; P109-V185 HydrophobicContact CG-CG2 3.8Å; C110-V185 PolarHBondContact O-N 3.17Å; K111-V185 WeakPolarHBondContact CD-O 3.47Å; K111-V185 WeakPolarHBondContact CE-O 3.25Å; K111-V185 PolarHBondContact NZ-O 2.89Å; P181-V185 WeakPolarHBondContact O-CG2 3.42Å; V185-A217 WeakPolarHBondContact CG1-O 3.46Å; V185-C218 WeakPolarHBondContact CA-O 3.44Å; V185-T220 HydrophobicContact CG1-CG2 3.78Å |
| 186 | P | 95.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 173.8 | 178.5 | 15.3 | -28.4 | 0 | 0 | 0 | 116 | K111 G112 I114 L179 D184 C218 V219 T220 | K111-P186 PolarHBondContact NZ-O 3.24Å; G112-P186 VanDerWaalsContact O-CA 3.3Å; G112-P186 WeakPolarHBondContact O-CA 3.41Å; I114-P186 HydrophobicContact CD1-CB 3.52Å; I114-P186 HydrophobicContact CD1-CG 3.96Å; I114-P186 HydrophobicContact CG1-CB 3.78Å; L179-P186 VanDerWaalsContact CD1-CD 3.44Å; L179-P186 HydrophobicContact CD1-CG 3.6Å; D184-P186 WeakPolarHBondContact O-CD 3.26Å; P186-C218 WeakPolarHBondContact CD-O 3.35Å; P186-V219 HydrophobicContact CB-CG2 4.19Å; P186-V219 HydrophobicContact CG-CB 4.28Å; P186-V219 HydrophobicContact CG-CG2 3.93Å; P186-T220 PolarHBondContact O-N 3.31Å |
| 187 | A | 93.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 168.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G113 I114 T220 | G113-A187 CarbonylContact C-O 3.52Å; G113-A187 VanDerWaalsContact CA-O 3.26Å; G113-A187 WeakPolarHBondContact CA-O 3.47Å; I114-A187 PolarHBondContact N-O 2.63Å; A187-T220 WeakPolarHBondContact CA-O 3.39Å |
| 188 | P | 90.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 31.9 Ų | 31.9 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 152.6 | 168.1 | -19 | 32.3 | 0 | 0 | 0 | 111.4 | T192 M197 T220 | P188-T192 WeakPolarHBondContact CA-OG1 3.09Å; P188-M197 HydrophobicContact CG-CG 3.64Å; P188-M197 HydrophobicContact CG-SD 4.36Å; P188-T220 WeakPolarHBondContact CD-O 3.27Å |
| 189 | D | 87.8 | Confident | 92.3 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | trans | -144.9 | -158 | 174.3 | -152.9 | -88.1 | 0 | 0 | 0 | 108.4 | I114 R115 K147 S191 T192 | I114-D189 VanDerWaalsContact O-CB 3.28Å; I114-D189 WeakPolarHBondContact O-CB 3.49Å; R115-D189 HydrophobicContact CB-CB 4.18Å; R115-D189 IonicContact CZ-OD1 2.77Å; R115-D189 IonicContact NE-OD1 2.71Å; R115-D189 PolarHBondContact NE-OD1 2.92Å; R115-D189 IonicContact NH2-OD1 3.94Å; R115-D189 PolarHBondContact NH2-OD1 3.28Å; K147-D189 IonicContact NZ-OD1 3.76Å; K147-D189 PolarHBondContact NZ-OD1 3.37Å; K147-D189 IonicContact NZ-OD2 2.6Å; K147-D189 PolarHBondContact NZ-OD2 2.89Å; D189-S191 PolarHBondContact O-N 2.89Å; D189-T192 PolarHBondContact N-OG1 2.95Å; D189-T192 PolarHBondContact O-N 3.34Å | ||
| 190 | M | 82.6 | Confident | 92.4 | Very high | 99 Ų | 99 | 33.3 Ų | 33.3 | 49% | 0.488 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 129.4 | 175.1 | -56.5 | -168.5 | -22.8 | 0 | 0 | 111.1 | R115 Y116 T192 | R115-M190 HydrophobicContact CG-CB 4.28Å; R115-M190 PolarHBondContact NH2-SD 3.14Å; Y116-M190 PolarHBondContact N-O 2.69Å; M190-T192 PolarHBondContact O-N 2.94Å |
| 191 | S | 88.2 | Confident | 92.5 | Very high | 73 Ų | 73 | 33.3 Ų | 33.3 | 51% | 0.51 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 19.7 | 179.5 | -26.4 | 0 | 0 | 0 | 0 | 116.1 | Y116 P154 D189 | Y116-S191 WeakPolarHBondContact O-CB 3.45Å; Y116-S191 PolarHBondContact O-OG 3.23Å; P154-S191 VanDerWaalsContact CG-CB 3.49Å; D189-S191 PolarHBondContact O-N 2.89Å |
| 192 | T | 91.6 | Very high | 92.6 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | trans | -128.1 | 157.5 | 166.5 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | I114 Y116 P188 D189 M190 E196 | I114-T192 VanDerWaalsContact O-CG2 3.23Å; I114-T192 WeakPolarHBondContact O-CG2 3.34Å; I114-T192 PolarHBondContact O-OG1 2.81Å; Y116-T192 HydrophobicContact CD1-CG2 3.72Å; Y116-T192 HydrophobicContact CD2-CG2 3.63Å; Y116-T192 HydrophobicContact CE1-CG2 3.88Å; Y116-T192 HydrophobicContact CE2-CG2 3.81Å; Y116-T192 HydrophobicContact CG-CG2 3.59Å; P188-T192 WeakPolarHBondContact CA-OG1 3.09Å; D189-T192 PolarHBondContact N-OG1 2.95Å; D189-T192 PolarHBondContact O-N 3.34Å; M190-T192 PolarHBondContact O-N 2.94Å; T192-E196 HydrophobicContact CG2-CG 4.5Å | ||
| 193 | S | 90.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 34% | 0.336 | 18% | 0.178 | S | C | . | . | trans | -139.3 | -174 | -171.1 | 80.8 | 0 | 0 | 0 | 0 | 112.1 | R195 E196 M197 | S193-R195 PolarHBondContact O-N 3.15Å; S193-R195 WeakPolarHBondContact OG-CB 3.19Å; S193-R195 PolarHBondContact OG-N 2.92Å; S193-R195 VanDerWaalsContact OG-N 3.1Å; S193-E196 WeakPolarHBondContact CA-OE2 3.37Å; S193-E196 VanDerWaalsContact CB-OE2 3.3Å; S193-E196 WeakPolarHBondContact CB-OE2 3.46Å; S193-E196 PolarHBondContact N-OE2 2.88Å; S193-E196 PolarHBondContact O-N 2.91Å; S193-E196 PolarHBondContact OG-OE2 3.05Å; S193-M197 WeakPolarHBondContact O-CG 3.24Å; S193-M197 PolarHBondContact O-N 2.65Å | ||
| 194 | Q | 92.1 | Very high | 93.1 | Very high | 108 Ų | 108 | 31.4 Ų | 31.4 | 51% | 0.505 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59 | -24.6 | 171.5 | 63.2 | 177.5 | -13.4 | 0 | 0 | 114.3 | M197 A198 G221 P223 | Q194-M197 PolarHBondContact O-N 3.31Å; Q194-A198 WeakPolarHBondContact O-CB 3.23Å; Q194-A198 PolarHBondContact O-N 3.49Å; Q194-G221 WeakPolarHBondContact CA-O 3.18Å; Q194-G221 WeakPolarHBondContact CB-O 3.38Å; Q194-P223 HydrophobicContact CB-CG 4.22Å; Q194-P223 HydrophobicContact CG-CG 4.25Å; Q194-P223 WeakPolarHBondContact O-CD 3.49Å |
| 195 | R | 94.1 | Very high | 93 | Very high | 97 Ų | 97 | 32.1 Ų | 32.1 | 37% | 0.366 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.4 | -48.3 | 176.6 | -178 | -178.1 | 67 | 167.1 | 5.9 | 111.3 | S159 S193 M197 A198 W199 | S159-R195 PolarHBondContact OG-NH1 3.41Å; S193-R195 PolarHBondContact O-N 3.15Å; S193-R195 WeakPolarHBondContact OG-CB 3.19Å; S193-R195 PolarHBondContact OG-N 2.92Å; S193-R195 VanDerWaalsContact OG-N 3.1Å; R195-M197 VanDerWaalsContact C-N 3.3Å; R195-M197 PolarHBondContact O-N 3.16Å; R195-A198 WeakPolarHBondContact O-CB 3.46Å; R195-A198 PolarHBondContact O-N 3.34Å; R195-A198 VanDerWaalsContact O-N 3.15Å; R195-W199 VanDerWaalsContact CD-CH2 3.48Å; R195-W199 HydrophobicContact CG-CD2 4.26Å; R195-W199 HydrophobicContact CG-CE3 4.32Å; R195-W199 HydrophobicContact CG-CH2 3.67Å; R195-W199 HydrophobicContact CG-CZ2 3.59Å; R195-W199 HydrophobicContact CG-CZ3 4.01Å; R195-W199 VanDerWaalsContact NE-CH2 3.27Å; R195-W199 PolarHBondContact O-N 2.93Å; R195-W199 VanDerWaalsContact O-N 3.11Å |
| 196 | E | 96 | Very high | 92.9 | Very high | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.9 | -36.9 | 178.9 | -67.5 | 65.2 | -141.9 | 0 | 0 | 110.9 | Y116 T166 T192 S193 W199 I200 | Y116-E196 HydrophobicContact CE2-CG 4.32Å; T166-E196 HydrophobicContact CG2-CB 4.19Å; T192-E196 HydrophobicContact CG2-CG 4.5Å; S193-E196 WeakPolarHBondContact CA-OE2 3.37Å; S193-E196 VanDerWaalsContact CB-OE2 3.3Å; S193-E196 WeakPolarHBondContact CB-OE2 3.46Å; S193-E196 PolarHBondContact N-OE2 2.88Å; S193-E196 PolarHBondContact O-N 2.91Å; S193-E196 PolarHBondContact OG-OE2 3.05Å; E196-W199 HydrophobicContact CB-CE3 4.38Å; E196-W199 HydrophobicContact CG-CE3 4.09Å; E196-W199 HydrophobicContact CG-CZ3 3.96Å; E196-W199 PolarHBondContact O-N 2.84Å; E196-W199 WeakPolarHBondContact OE1-CZ3 3.49Å; E196-I200 VanDerWaalsContact O-CG1 3.31Å; E196-I200 WeakPolarHBondContact O-CG1 3.24Å; E196-I200 PolarHBondContact O-N 2.9Å |
| 197 | M | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | 174.4 | -56.2 | -55.1 | 108.7 | 0 | 0 | 112.9 | P188 S193 Q194 R195 I200 A201 V219 K222 | P188-M197 HydrophobicContact CG-CG 3.64Å; P188-M197 HydrophobicContact CG-SD 4.36Å; S193-M197 WeakPolarHBondContact O-CG 3.24Å; S193-M197 PolarHBondContact O-N 2.65Å; Q194-M197 PolarHBondContact O-N 3.31Å; R195-M197 VanDerWaalsContact C-N 3.3Å; R195-M197 PolarHBondContact O-N 3.16Å; M197-I200 HydrophobicContact CE-CD1 3.78Å; M197-I200 PolarHBondContact O-N 3.36Å; M197-I200 HydrophobicContact SD-CD1 4.02Å; M197-A201 PolarHBondContact O-N 3.41Å; M197-V219 HydrophobicContact CB-CG2 3.87Å; M197-V219 HydrophobicContact CG-CG2 3.99Å; M197-V219 WeakPolarHBondContact O-CG1 3.27Å; M197-V219 HydrophobicContact SD-CG2 3.31Å; M197-V219 WeakPolarHBondContact SD-CG2 3.44Å; M197-K222 HydrophobicContact CB-CG 4.38Å |
| 198 | A | 94.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q194 R195 I200 A201 D202 P223 M226 | Q194-A198 WeakPolarHBondContact O-CB 3.23Å; Q194-A198 PolarHBondContact O-N 3.49Å; R195-A198 WeakPolarHBondContact O-CB 3.46Å; R195-A198 PolarHBondContact O-N 3.34Å; R195-A198 VanDerWaalsContact O-N 3.15Å; A198-I200 VanDerWaalsContact C-N 3.33Å; A198-I200 PolarHBondContact O-N 3.33Å; A198-A201 PolarHBondContact O-N 3.31Å; A198-D202 WeakPolarHBondContact O-CB 3.39Å; A198-D202 PolarHBondContact O-N 3.45Å; A198-P223 HydrophobicContact CB-CG 4.29Å; A198-M226 HydrophobicContact CB-SD 3.73Å |
| 199 | W | 96.3 | Very high | 92 | Very high | 33 Ų | 33 | 43 Ų | 43 | 13% | 0.125 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -35.5 | 175.2 | -63.6 | -39.2 | 0 | 0 | 0 | 113.1 | I162 E163 T166 R167 R195 E196 T203 | I162-W199 HydrophobicContact CG2-CZ3 4.06Å; E163-W199 HydrophobicContact CB-CD2 4.13Å; E163-W199 HydrophobicContact CB-CE3 4.2Å; E163-W199 HydrophobicContact CB-CH2 3.73Å; E163-W199 HydrophobicContact CB-CZ2 3.62Å; E163-W199 HydrophobicContact CB-CZ3 4.04Å; E163-W199 HydrophobicContact CG-CD2 3.81Å; E163-W199 HydrophobicContact CG-CE3 4.31Å; E163-W199 HydrophobicContact CG-CG 4.11Å; E163-W199 HydrophobicContact CG-CH2 4.42Å; E163-W199 HydrophobicContact CG-CZ2 3.91Å; E163-W199 PolarHBondContact OE1-NE1 2.9Å; T166-W199 HydrophobicContact CG2-CB 4.07Å; T166-W199 HydrophobicContact CG2-CE3 4.16Å; R167-W199 HydrophobicContact CG-CB 4.46Å; R195-W199 VanDerWaalsContact CD-CH2 3.48Å; R195-W199 HydrophobicContact CG-CD2 4.26Å; R195-W199 HydrophobicContact CG-CE3 4.32Å; R195-W199 HydrophobicContact CG-CH2 3.67Å; R195-W199 HydrophobicContact CG-CZ2 3.59Å; R195-W199 HydrophobicContact CG-CZ3 4.01Å; R195-W199 VanDerWaalsContact NE-CH2 3.27Å; R195-W199 PolarHBondContact O-N 2.93Å; R195-W199 VanDerWaalsContact O-N 3.11Å; E196-W199 HydrophobicContact CB-CE3 4.38Å; E196-W199 HydrophobicContact CG-CE3 4.09Å; E196-W199 HydrophobicContact CG-CZ3 3.96Å; E196-W199 PolarHBondContact O-N 2.84Å; E196-W199 WeakPolarHBondContact OE1-CZ3 3.49Å; W199-T203 VanDerWaalsContact O-CB 3.22Å; W199-T203 WeakPolarHBondContact O-CB 3.48Å; W199-T203 PolarHBondContact O-N 2.97Å; W199-T203 PolarHBondContact O-OG1 2.92Å |
| 200 | I | 96.6 | Very high | 92 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -49.8 | 172.6 | -68.9 | 164.5 | 0 | 0 | 0 | 110.5 | I114 T166 T170 L179 E196 M197 A198 T203 Y204 V219 | I114-I200 HydrophobicContact CD1-CD1 3.88Å; T166-I200 HydrophobicContact CG2-CD1 4.32Å; T166-I200 HydrophobicContact CG2-CG1 3.83Å; T170-I200 HydrophobicContact CG2-CG2 4.16Å; T170-I200 WeakPolarHBondContact OG1-CG1 3.03Å; L179-I200 HydrophobicContact CD1-CG2 4.13Å; L179-I200 HydrophobicContact CD2-CG2 3.83Å; E196-I200 VanDerWaalsContact O-CG1 3.31Å; E196-I200 WeakPolarHBondContact O-CG1 3.24Å; E196-I200 PolarHBondContact O-N 2.9Å; M197-I200 HydrophobicContact CE-CD1 3.78Å; M197-I200 PolarHBondContact O-N 3.36Å; M197-I200 HydrophobicContact SD-CD1 4.02Å; A198-I200 VanDerWaalsContact C-N 3.33Å; A198-I200 PolarHBondContact O-N 3.33Å; I200-T203 PolarHBondContact O-N 3.3Å; I200-Y204 VanDerWaalsContact O-CB 3.25Å; I200-Y204 WeakPolarHBondContact O-CB 3.11Å; I200-Y204 PolarHBondContact O-N 3.42Å; I200-V219 HydrophobicContact CB-CG1 4.4Å; I200-V219 HydrophobicContact CG2-CB 3.97Å; I200-V219 HydrophobicContact CG2-CG1 4.08Å; I200-V219 HydrophobicContact CG2-CG2 4.19Å |
| 201 | A | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -47.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M197 A198 S205 Y216 V219 K222 | M197-A201 PolarHBondContact O-N 3.41Å; A198-A201 PolarHBondContact O-N 3.31Å; A201-S205 VanDerWaalsContact O-CB 3.32Å; A201-S205 WeakPolarHBondContact O-CB 3.37Å; A201-S205 PolarHBondContact O-N 2.96Å; A201-S205 PolarHBondContact O-OG 3.26Å; A201-Y216 HydrophobicContact CB-CD1 4.21Å; A201-Y216 HydrophobicContact CB-CE1 4.45Å; A201-V219 HydrophobicContact CB-CG1 3.72Å; A201-K222 HydrophobicContact CB-CD 3.81Å |
| 202 | D | 94.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -57.8 | 175.2 | 177.8 | 52.6 | 0 | 0 | 0 | 110.6 | R167 A198 Y204 S205 K206 | R167-D202 IonicContact CZ-OD2 2.86Å; R167-D202 IonicContact NH1-OD2 3.9Å; R167-D202 PolarHBondContact NH1-OD2 3.15Å; R167-D202 IonicContact NH2-OD2 3.03Å; R167-D202 PolarHBondContact NH2-OD2 2.86Å; A198-D202 WeakPolarHBondContact O-CB 3.39Å; A198-D202 PolarHBondContact O-N 3.45Å; D202-Y204 VanDerWaalsContact C-N 3.32Å; D202-Y204 PolarHBondContact O-N 3.27Å; D202-S205 PolarHBondContact O-N 3.49Å; D202-S205 PolarHBondContact O-OG 3.13Å; D202-K206 WeakPolarHBondContact O-CB 3.47Å; D202-K206 VanDerWaalsContact O-CG 3.28Å; D202-K206 WeakPolarHBondContact O-CG 3.45Å; D202-K206 PolarHBondContact O-N 3.4Å |
| 203 | T | 94.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -39.2 | -177.1 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | R167 T170 I171 W199 I200 T207 | R167-T203 HydrophobicContact CB-CG2 4.39Å; R167-T203 WeakPolarHBondContact CG-OG1 3.26Å; R167-T203 PolarHBondContact NH1-OG1 3.13Å; T170-T203 HydrophobicContact CG2-CG2 4.06Å; I171-T203 HydrophobicContact CD1-CG2 4.22Å; I171-T203 HydrophobicContact CG1-CG2 3.85Å; W199-T203 VanDerWaalsContact O-CB 3.22Å; W199-T203 WeakPolarHBondContact O-CB 3.48Å; W199-T203 PolarHBondContact O-N 2.97Å; W199-T203 PolarHBondContact O-OG1 2.92Å; I200-T203 PolarHBondContact O-N 3.3Å; T203-T207 WeakPolarHBondContact O-CB 3.36Å; T203-T207 WeakPolarHBondContact O-CG2 3.28Å; T203-T207 PolarHBondContact O-N 3.16Å; T203-T207 PolarHBondContact O-OG1 3.36Å |
| 204 | Y | 94.8 | Very high | 91.8 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -52.4 | 175.3 | -175.6 | -97.7 | 0 | 0 | 0 | 111.3 | A174 L179 G180 I200 D202 K206 T207 I208 G209 A215 C218 | A174-Y204 HydrophobicContact CB-CD2 3.83Å; A174-Y204 HydrophobicContact CB-CE2 3.95Å; L179-Y204 HydrophobicContact CD2-CD2 3.74Å; L179-Y204 HydrophobicContact CD2-CG 4.32Å; L179-Y204 HydrophobicContact CG-CD2 3.85Å; L179-Y204 HydrophobicContact CG-CE2 4.16Å; G180-Y204 WeakPolarHBondContact CA-OH 3.13Å; I200-Y204 VanDerWaalsContact O-CB 3.25Å; I200-Y204 WeakPolarHBondContact O-CB 3.11Å; I200-Y204 PolarHBondContact O-N 3.42Å; D202-Y204 VanDerWaalsContact C-N 3.32Å; D202-Y204 PolarHBondContact O-N 3.27Å; Y204-K206 VanDerWaalsContact C-N 3.27Å; Y204-K206 PolarHBondContact O-N 2.92Å; Y204-T207 PolarHBondContact O-N 3.27Å; Y204-I208 HydrophobicContact CE2-CG2 4.47Å; Y204-I208 PolarHBondContact O-N 3.37Å; Y204-G209 WeakPolarHBondContact O-CA 3.31Å; Y204-G209 PolarHBondContact O-N 3.11Å; Y204-A215 HydrophobicContact CD1-CB 3.95Å; Y204-A215 HydrophobicContact CE1-CB 4.07Å; Y204-C218 HydrophobicContact CD1-CB 3.6Å; Y204-C218 HydrophobicContact CE1-CB 3.81Å; Y204-C218 HydrophobicContact CG-CB 4Å |
| 205 | S | 92.5 | Very high | 91.7 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -23.9 | -178.5 | 70.5 | 0 | 0 | 0 | 0 | 114 | A201 D202 H210 | A201-S205 VanDerWaalsContact O-CB 3.32Å; A201-S205 WeakPolarHBondContact O-CB 3.37Å; A201-S205 PolarHBondContact O-N 2.96Å; A201-S205 PolarHBondContact O-OG 3.26Å; D202-S205 PolarHBondContact O-N 3.49Å; D202-S205 PolarHBondContact O-OG 3.13Å; S205-H210 VanDerWaalsContact O-CA 3.28Å; S205-H210 WeakPolarHBondContact O-CA 3.34Å |
| 206 | K | 92 | Very high | 91.5 | Very high | 145 Ų | 145 | 48 Ų | 48 | 63% | 0.63 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -91.2 | -7.9 | 176.2 | -60.4 | -54.8 | -179 | -175.9 | 0 | 114.7 | D202 Y204 | D202-K206 WeakPolarHBondContact O-CB 3.47Å; D202-K206 VanDerWaalsContact O-CG 3.28Å; D202-K206 WeakPolarHBondContact O-CG 3.45Å; D202-K206 PolarHBondContact O-N 3.4Å; Y204-K206 VanDerWaalsContact C-N 3.27Å; Y204-K206 PolarHBondContact O-N 2.92Å |
| 207 | T | 90.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -81.6 | -177.9 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | T203 Y204 H210 | T203-T207 WeakPolarHBondContact O-CB 3.36Å; T203-T207 WeakPolarHBondContact O-CG2 3.28Å; T203-T207 PolarHBondContact O-N 3.16Å; T203-T207 PolarHBondContact O-OG1 3.36Å; Y204-T207 PolarHBondContact O-N 3.27Å; T207-H210 PolarHBondContact O-ND1 2.73Å |
| 208 | I | 87.2 | Confident | 91.3 | Very high | 75 Ų | 75 | 47.7 Ų | 47.7 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -34.6 | -170.5 | -69.7 | 152.1 | 0 | 0 | 0 | 111.3 | A174 K175 Y204 H210 | A174-I208 HydrophobicContact CB-CB 4.37Å; A174-I208 HydrophobicContact CB-CD1 3.46Å; A174-I208 VanDerWaalsContact CB-CD1 3.46Å; A174-I208 HydrophobicContact CB-CG2 4.48Å; K175-I208 HydrophobicContact CG-CD1 3.74Å; Y204-I208 HydrophobicContact CE2-CG2 4.47Å; Y204-I208 PolarHBondContact O-N 3.37Å; I208-H210 VanDerWaalsContact C-N 3.29Å; I208-H210 PolarHBondContact O-N 3Å |
| 209 | G | 85.2 | Confident | 91.3 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -85.2 | 16.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y204 L211 D212 | Y204-G209 WeakPolarHBondContact O-CA 3.31Å; Y204-G209 PolarHBondContact O-N 3.11Å; G209-L211 PolarHBondContact O-N 3.36Å; G209-D212 PolarHBondContact O-N 2.91Å |
| 210 | H | 88.4 | Confident | 91.2 | Very high | 127 Ų | 127 | 45.5 Ų | 45.5 | 59% | 0.588 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -16.5 | -172.2 | 75.1 | -89.3 | 0 | 0 | 0 | 114.8 | S205 T207 I208 | S205-H210 VanDerWaalsContact O-CA 3.28Å; S205-H210 WeakPolarHBondContact O-CA 3.34Å; T207-H210 PolarHBondContact O-ND1 2.73Å; I208-H210 VanDerWaalsContact C-N 3.29Å; I208-H210 PolarHBondContact O-N 3Å |
| 211 | L | 85 | Confident | 90.9 | Very high | 152 Ų | 152 | 45.4 Ų | 45.4 | 80% | 0.796 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -5.4 | 170.2 | -56.4 | 179.7 | 0 | 0 | 0 | 112.8 | G209 K213 | G209-L211 PolarHBondContact O-N 3.36Å; L211-K213 PolarHBondContact O-N 3.42Å |
| 212 | D | 86.7 | Confident | 90.8 | Very high | 56 Ų | 56 | 45.6 Ų | 45.6 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | trans | -85.6 | 107.6 | 179.7 | 178.3 | 6.3 | 0 | 0 | 0 | 109.3 | P181 G209 D214 A215 | P181-D212 WeakPolarHBondContact CD-OD2 3.38Å; P181-D212 VanDerWaalsContact CG-OD2 3.3Å; P181-D212 WeakPolarHBondContact CG-OD2 3.38Å; G209-D212 PolarHBondContact O-N 2.91Å; D212-D214 PolarHBondContact O-N 2.84Å; D212-D214 VanDerWaalsContact O-N 3.09Å; D212-D214 WeakPolarHBondContact OD1-CA 3.18Å; D212-D214 WeakPolarHBondContact OD1-CB 3.49Å; D212-D214 PolarHBondContact OD1-N 3.02Å; D212-A215 HydrophobicContact CB-CB 4.3Å; D212-A215 VanDerWaalsContact O-CB 3.25Å; D212-A215 WeakPolarHBondContact O-CB 3.46Å; D212-A215 PolarHBondContact O-N 3.46Å; D212-A215 VanDerWaalsContact O-N 3.08Å | ||
| 213 | K | 85.4 | Confident | 90.5 | Very high | 144 Ų | 144 | 45.4 Ų | 45.4 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28 | 176.9 | 67.3 | 166.5 | -174.1 | 63.3 | 0 | 112.6 | L211 H401 | L211-K213 PolarHBondContact O-N 3.42Å; K213-H401 PolarHBondContact NZ-NE2 2.72Å; K213-H401 PolarHBondContact O-CE1 2.53Å |
| 214 | D | 90.3 | Very high | 90.1 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 8.5 | -175.2 | -63.6 | -35.8 | 0 | 0 | 0 | 112.5 | P181 D212 Y216 A217 L399 H401 | P181-D214 HydrophobicContact CB-CB 4.22Å; P181-D214 HydrophobicContact CG-CB 4.24Å; P181-D214 WeakPolarHBondContact CG-O 2.98Å; D212-D214 PolarHBondContact O-N 2.84Å; D212-D214 VanDerWaalsContact O-N 3.09Å; D212-D214 WeakPolarHBondContact OD1-CA 3.18Å; D212-D214 WeakPolarHBondContact OD1-CB 3.49Å; D212-D214 PolarHBondContact OD1-N 3.02Å; D214-Y216 PolarHBondContact O-N 3.41Å; D214-A217 WeakPolarHBondContact O-CA 3.43Å; D214-A217 VanDerWaalsContact O-CB 3.26Å; D214-A217 WeakPolarHBondContact O-CB 3.37Å; D214-A217 PolarHBondContact O-N 3.25Å; D214-L399 HydrophobicContact CB-CD2 3.75Å; D214-H401 IonicContact OD1-CD2 2.78Å; D214-H401 IonicContact OD1-CE1 3.77Å; D214-H401 CovalentContact OD1-NE2 1.77Å; D214-H401 IonicContact OD1-NE2 3.02Å; D214-H401 PolarHBondContact OD1-NE2 2.9Å; D214-H401 IonicContact OD2-NE2 3.41Å |
| 215 | A | 90.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -50.4 | -32.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y204 D212 A217 C218 | Y204-A215 HydrophobicContact CD1-CB 3.95Å; Y204-A215 HydrophobicContact CE1-CB 4.07Å; D212-A215 HydrophobicContact CB-CB 4.3Å; D212-A215 VanDerWaalsContact O-CB 3.25Å; D212-A215 WeakPolarHBondContact O-CB 3.46Å; D212-A215 PolarHBondContact O-N 3.46Å; D212-A215 VanDerWaalsContact O-N 3.08Å; A215-A217 PolarHBondContact O-N 3.27Å; A215-C218 WeakPolarHBondContact O-CB 3.41Å; A215-C218 PolarHBondContact O-N 3.44Å; A215-C218 PolarHBondContact O-SG 2.89Å |
| 216 | Y | 89.8 | Confident | 89.3 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 31% | 0.31 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -70.1 | -15.1 | 176.7 | -80.6 | -94.4 | 0 | 0 | 0 | 114.3 | A201 D214 C218 K222 | A201-Y216 HydrophobicContact CB-CD1 4.21Å; A201-Y216 HydrophobicContact CB-CE1 4.45Å; D214-Y216 PolarHBondContact O-N 3.41Å; Y216-C218 VanDerWaalsContact C-N 3.27Å; Y216-K222 WeakPolarHBondContact O-CE 3.43Å; Y216-K222 PolarHBondContact O-NZ 3.16Å |
| 217 | A | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -81.5 | 0.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P181 V185 D214 A215 V219 N398 L399 | P181-A217 HydrophobicContact CB-CB 4.06Å; P181-A217 HydrophobicContact CG-CB 4.39Å; V185-A217 WeakPolarHBondContact CG1-O 3.46Å; D214-A217 WeakPolarHBondContact O-CA 3.43Å; D214-A217 VanDerWaalsContact O-CB 3.26Å; D214-A217 WeakPolarHBondContact O-CB 3.37Å; D214-A217 PolarHBondContact O-N 3.25Å; A215-A217 PolarHBondContact O-N 3.27Å; A217-V219 PolarHBondContact O-N 3.45Å; A217-V219 VanDerWaalsContact O-N 3.13Å; A217-N398 HydrophobicContact CB-CB 3.65Å; A217-L399 HydrophobicContact CB-CD2 3.73Å; A217-L399 HydrophobicContact CB-CG 4.18Å |
| 218 | C | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -64.6 | -14.5 | 176.7 | 77 | 0 | 0 | 0 | 0 | 113.4 | L179 P181 V185 P186 Y204 A215 Y216 | L179-C218 HydrophobicContact CD1-CB 4.15Å; L179-C218 WeakPolarHBondContact CD1-O 3.45Å; L179-C218 HydrophobicContact CG-CB 4.48Å; P181-C218 HydrophobicContact CG-CB 4.17Å; V185-C218 WeakPolarHBondContact CA-O 3.44Å; P186-C218 WeakPolarHBondContact CD-O 3.35Å; Y204-C218 HydrophobicContact CD1-CB 3.6Å; Y204-C218 HydrophobicContact CE1-CB 3.81Å; Y204-C218 HydrophobicContact CG-CB 4Å; A215-C218 WeakPolarHBondContact O-CB 3.41Å; A215-C218 PolarHBondContact O-N 3.44Å; A215-C218 PolarHBondContact O-SG 2.89Å; Y216-C218 VanDerWaalsContact C-N 3.27Å |
| 219 | V | 95.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -151.8 | 152 | -178.6 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | P186 M197 I200 A201 A217 K222 | P186-V219 HydrophobicContact CB-CG2 4.19Å; P186-V219 HydrophobicContact CG-CB 4.28Å; P186-V219 HydrophobicContact CG-CG2 3.93Å; M197-V219 HydrophobicContact CB-CG2 3.87Å; M197-V219 HydrophobicContact CG-CG2 3.99Å; M197-V219 WeakPolarHBondContact O-CG1 3.27Å; M197-V219 HydrophobicContact SD-CG2 3.31Å; M197-V219 WeakPolarHBondContact SD-CG2 3.44Å; I200-V219 HydrophobicContact CB-CG1 4.4Å; I200-V219 HydrophobicContact CG2-CB 3.97Å; I200-V219 HydrophobicContact CG2-CG1 4.08Å; I200-V219 HydrophobicContact CG2-CG2 4.19Å; A201-V219 HydrophobicContact CB-CG1 3.72Å; A217-V219 PolarHBondContact O-N 3.45Å; A217-V219 VanDerWaalsContact O-N 3.13Å; V219-K222 HydrophobicContact CG1-CD 3.94Å; V219-K222 HydrophobicContact CG1-CG 4Å; V219-K222 PolarHBondContact O-NZ 3.47Å | ||
| 220 | T | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -123.2 | 165.3 | 172.8 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | K111 V185 P186 A187 P188 R232 S391 E394 W395 | K111-T220 PolarHBondContact NZ-OG1 3.35Å; V185-T220 HydrophobicContact CG1-CG2 3.78Å; P186-T220 PolarHBondContact O-N 3.31Å; A187-T220 WeakPolarHBondContact CA-O 3.39Å; P188-T220 WeakPolarHBondContact CD-O 3.27Å; T220-R232 PolarHBondContact OG1-NH1 3.41Å; T220-S391 WeakPolarHBondContact CG2-O 3.47Å; T220-S391 WeakPolarHBondContact OG1-CB 3.43Å; T220-S391 PolarHBondContact OG1-OG 3.25Å; T220-E394 WeakPolarHBondContact CA-OE1 3.08Å; T220-E394 HydrophobicContact CG2-CB 4.22Å; T220-E394 HydrophobicContact CG2-CG 4.43Å; T220-W395 HydrophobicContact CG2-CB 4.11Å |
| 221 | G | 90.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 84 | 25 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q194 R232 E394 | Q194-G221 WeakPolarHBondContact CA-O 3.18Å; Q194-G221 WeakPolarHBondContact CB-O 3.38Å; G221-R232 VanDerWaalsContact CA-NE 3.27Å; G221-R232 VanDerWaalsContact N-NH1 3.18Å; G221-E394 WeakPolarHBondContact CA-OE2 3.31Å; G221-E394 PolarHBondContact N-OE1 3.34Å; G221-E394 PolarHBondContact N-OE2 2.88Å |
| 222 | K | 92.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | trans | -72.1 | 160.7 | 173.9 | -58.2 | 177.8 | -59.4 | -61.2 | 0 | 109.9 | M197 A201 Y216 V219 M226 G228 E394 N398 | M197-K222 HydrophobicContact CB-CG 4.38Å; A201-K222 HydrophobicContact CB-CD 3.81Å; Y216-K222 WeakPolarHBondContact O-CE 3.43Å; Y216-K222 PolarHBondContact O-NZ 3.16Å; V219-K222 HydrophobicContact CG1-CD 3.94Å; V219-K222 HydrophobicContact CG1-CG 4Å; V219-K222 PolarHBondContact O-NZ 3.47Å; K222-M226 HydrophobicContact CB-CB 4.42Å; K222-M226 WeakPolarHBondContact CD-O 3.39Å; K222-M226 WeakPolarHBondContact CE-O 3.22Å; K222-G228 WeakPolarHBondContact O-CA 3.17Å; K222-E394 PolarHBondContact N-OE1 3.19Å; K222-E394 IonicContact NZ-OE1 3.86Å; K222-E394 PolarHBondContact NZ-OE1 3.36Å; K222-N398 PolarHBondContact NZ-ND2 3.4Å; K222-N398 VanDerWaalsContact NZ-ND2 3.1Å | ||
| 223 | P | 89.6 | Confident | 88 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 21% | 0.214 | 22% | 0.217 | C | C | . | . | trans | -59.1 | 149.3 | 166.5 | -20.9 | 33.6 | 0 | 0 | 0 | 110.9 | Q194 A198 L225 M226 G228 | Q194-P223 HydrophobicContact CB-CG 4.22Å; Q194-P223 HydrophobicContact CG-CG 4.25Å; Q194-P223 WeakPolarHBondContact O-CD 3.49Å; A198-P223 HydrophobicContact CB-CG 4.29Å; P223-L225 PolarHBondContact O-N 2.78Å; P223-L225 VanDerWaalsContact O-N 3.14Å; P223-M226 CarbonylContact O-C 3.58Å; P223-M226 WeakPolarHBondContact O-CA 3.24Å; P223-M226 PolarHBondContact O-N 3.14Å; P223-G228 WeakPolarHBondContact O-CA 3.37Å; P223-G228 PolarHBondContact O-N 2.91Å | ||
| 224 | I | 86.1 | Confident | 87.9 | Confident | 96 Ų | 96 | 36.4 Ų | 36.4 | 49% | 0.492 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -53.9 | -39.1 | -176.8 | -61.3 | 160 | 0 | 0 | 0 | 111.6 | M226 G227 L230 | I224-M226 PolarHBondContact O-N 3.31Å; I224-G227 PolarHBondContact O-N 3Å; I224-G227 VanDerWaalsContact O-N 3.14Å; I224-L230 HydrophobicContact CD1-CD2 3.6Å; I224-L230 HydrophobicContact CD1-CG 4.12Å |
| 225 | L | 84.1 | Confident | 87.6 | Confident | 177 Ų | 177 | 35 Ų | 35 | 93% | 0.927 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -61.8 | -22.5 | 176.8 | -71.7 | 159 | 0 | 0 | 0 | 114.4 | P223 | P223-L225 PolarHBondContact O-N 2.78Å; P223-L225 VanDerWaalsContact O-N 3.14Å |
| 226 | M | 85.2 | Confident | 87.2 | Confident | 73 Ų | 73 | 35.8 Ų | 35.8 | 36% | 0.36 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -108.3 | 30.3 | 176.2 | -76.7 | -174.5 | 155.8 | 0 | 0 | 112.1 | A198 K222 P223 I224 | A198-M226 HydrophobicContact CB-SD 3.73Å; K222-M226 HydrophobicContact CB-CB 4.42Å; K222-M226 WeakPolarHBondContact CD-O 3.39Å; K222-M226 WeakPolarHBondContact CE-O 3.22Å; P223-M226 CarbonylContact O-C 3.58Å; P223-M226 WeakPolarHBondContact O-CA 3.24Å; P223-M226 PolarHBondContact O-N 3.14Å; I224-M226 PolarHBondContact O-N 3.31Å |
| 227 | G | 83.2 | Confident | 86.9 | Confident | 20 Ų | 20 | 32 Ų | 32 | 21% | 0.206 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 15.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I224 N398 | I224-G227 PolarHBondContact O-N 3Å; I224-G227 VanDerWaalsContact O-N 3.14Å; G227-N398 PolarHBondContact O-ND2 2.98Å |
| 228 | G | 86.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -59.7 | 166.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K222 P223 K397 | K222-G228 WeakPolarHBondContact O-CA 3.17Å; P223-G228 WeakPolarHBondContact O-CA 3.37Å; P223-G228 PolarHBondContact O-N 2.91Å; G228-K397 PolarHBondContact O-NZ 3.4Å | ||
| 229 | I | 86.7 | Confident | 86.2 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | trans | -115.7 | 143 | -178.6 | -158.4 | 169.9 | 0 | 0 | 0 | 111.9 | R232 V390 F393 E394 K397 F404 E471 V475 | I229-R232 HydrophobicContact CG2-CB 4.16Å; I229-V390 HydrophobicContact CG2-CG1 3.64Å; I229-F393 HydrophobicContact CD1-CB 3.71Å; I229-E394 HydrophobicContact CB-CB 3.98Å; I229-E394 HydrophobicContact CB-CG 4Å; I229-E394 HydrophobicContact CG2-CB 3.77Å; I229-E394 HydrophobicContact CG2-CG 4.09Å; I229-K397 HydrophobicContact CB-CD 4.38Å; I229-K397 HydrophobicContact CG1-CD 4.21Å; I229-F404 HydrophobicContact CD1-CD2 4.02Å; I229-F404 HydrophobicContact CD1-CE2 3.74Å; I229-E471 HydrophobicContact CG1-CG 4.26Å; I229-V475 HydrophobicContact CD1-CG2 3.43Å; I229-V475 VanDerWaalsContact CD1-CG2 3.43Å; I229-V475 HydrophobicContact CG1-CG2 3.79Å | ||
| 230 | L | 85.2 | Confident | 85.8 | Confident | 62 Ų | 62 | 33.7 Ų | 33.7 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 161.9 | 171.3 | -78.4 | 162.1 | 0 | 0 | 0 | 112 | I224 R232 E471 E472 | I224-L230 HydrophobicContact CD1-CD2 3.6Å; I224-L230 HydrophobicContact CD1-CG 4.12Å; L230-R232 PolarHBondContact O-N 3.04Å; L230-R232 VanDerWaalsContact O-N 3.13Å; L230-E471 HydrophobicContact CB-CB 4.3Å; L230-E471 HydrophobicContact CB-CG 4.38Å; L230-E471 HydrophobicContact CD1-CB 4.05Å; L230-E471 PolarHBondContact N-OE2 2.93Å; L230-E472 HydrophobicContact CB-CB 4.12Å |
| 231 | G | 81.1 | Confident | 85.6 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | -2.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.9 | N233 A235 Y476 | G231-N233 PolarHBondContact O-N 3.41Å; G231-A235 PolarHBondContact O-N 3Å; G231-A235 VanDerWaalsContact O-N 3.16Å; G231-Y476 WeakPolarHBondContact CA-OH 3.49Å; G231-Y476 WeakPolarHBondContact O-CE1 3.23Å |
| 232 | R | 84.9 | Confident | 85.5 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 18% | 0.177 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -39.5 | -173.2 | -174.6 | -178.7 | 175.2 | 87.5 | 19.4 | 114.6 | T220 G221 I229 L230 A235 V390 S391 E394 | T220-R232 PolarHBondContact OG1-NH1 3.41Å; G221-R232 VanDerWaalsContact CA-NE 3.27Å; G221-R232 VanDerWaalsContact N-NH1 3.18Å; I229-R232 HydrophobicContact CG2-CB 4.16Å; L230-R232 PolarHBondContact O-N 3.04Å; L230-R232 VanDerWaalsContact O-N 3.13Å; R232-A235 WeakPolarHBondContact O-CB 3.39Å; R232-A235 PolarHBondContact O-N 3.27Å; R232-V390 HydrophobicContact CB-CG1 4.42Å; R232-S391 PolarHBondContact NH1-OG 3.48Å; R232-S391 PolarHBondContact NH2-OG 3.47Å; R232-S391 VanDerWaalsContact NH2-OG 3.07Å; R232-E394 IonicContact CZ-OE2 3.42Å; R232-E394 IonicContact NH1-OE2 2.84Å; R232-E394 PolarHBondContact NH1-OE2 3.02Å |
| 233 | N | 79 | Confident | 85.3 | Confident | 110 Ų | 110 | 37.5 Ų | 37.5 | 59% | 0.588 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -42.6 | -170.8 | -65.7 | -1.3 | 0 | 0 | 0 | 112.4 | G231 N275 H279 | G231-N233 PolarHBondContact O-N 3.41Å; N233-N275 PolarHBondContact O-ND2 3.34Å; N233-H279 PolarHBondContact O-CD2 3.25Å; N233-H279 VanDerWaalsContact O-CD2 3.29Å |
| 234 | A | 83.9 | Confident | 85.4 | Confident | 13 Ų | 13 | 36 Ų | 36 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T236 G237 M238 H279 | A234-T236 PolarHBondContact O-N 3.44Å; A234-G237 PolarHBondContact O-N 3.38Å; A234-M238 PolarHBondContact O-N 3.07Å; A234-H279 VanDerWaalsContact CA-CD2 3.49Å; A234-H279 WeakPolarHBondContact CA-CD2 3.41Å; A234-H279 HydrophobicContact CB-CB 4.28Å |
| 235 | A | 84.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -48.6 | -38.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G231 R232 G239 G386 V390 L479 | G231-A235 PolarHBondContact O-N 3Å; G231-A235 VanDerWaalsContact O-N 3.16Å; R232-A235 WeakPolarHBondContact O-CB 3.39Å; R232-A235 PolarHBondContact O-N 3.27Å; A235-G239 PolarHBondContact O-N 2.88Å; A235-G386 WeakPolarHBondContact O-CA 3.06Å; A235-V390 HydrophobicContact CB-CB 3.88Å; A235-V390 HydrophobicContact CB-CG1 4.33Å; A235-V390 HydrophobicContact CB-CG2 3.51Å; A235-L479 HydrophobicContact CB-CD2 4.3Å; A235-L479 WeakPolarHBondContact O-CD2 3.43Å |
| 236 | T | 81.7 | Confident | 85.9 | Confident | 20 Ų | 20 | 24.3 Ų | 24.3 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -51.6 | 177.5 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | A234 M238 G239 V240 V276 N384 | A234-T236 PolarHBondContact O-N 3.44Å; T236-M238 PolarHBondContact O-N 3.3Å; T236-G239 WeakPolarHBondContact O-CA 3.25Å; T236-G239 PolarHBondContact O-N 3.02Å; T236-G239 VanDerWaalsContact O-N 3.15Å; T236-V240 WeakPolarHBondContact O-CG2 3.28Å; T236-V240 PolarHBondContact O-N 3.49Å; T236-V276 HydrophobicContact CG2-CB 4.5Å; T236-V276 HydrophobicContact CG2-CG1 3.83Å; T236-V276 HydrophobicContact CG2-CG2 3.86Å; T236-N384 WeakPolarHBondContact CG2-OD1 3Å |
| 237 | G | 83.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.5 | -36.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A234 G239 V240 L241 T280 | A234-G237 PolarHBondContact O-N 3.38Å; G237-G239 VanDerWaalsContact C-N 3.34Å; G237-V240 PolarHBondContact O-N 2.79Å; G237-L241 PolarHBondContact O-N 2.97Å; G237-T280 VanDerWaalsContact CA-OG1 3.28Å; G237-T280 WeakPolarHBondContact CA-OG1 3.41Å |
| 238 | M | 85.2 | Confident | 86.6 | Confident | 36 Ų | 36 | 19.9 Ų | 19.9 | 18% | 0.177 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.9 | -33.8 | 172.4 | -167.6 | 173.9 | -65 | 0 | 0 | 112.1 | A234 T236 V240 L241 K242 Y476 L479 | A234-M238 PolarHBondContact O-N 3.07Å; T236-M238 PolarHBondContact O-N 3.3Å; M238-V240 VanDerWaalsContact C-N 3.34Å; M238-L241 PolarHBondContact O-N 3.33Å; M238-K242 HydrophobicContact CG-CG 4.26Å; M238-K242 WeakPolarHBondContact O-CB 3.12Å; M238-K242 VanDerWaalsContact O-CG 3.32Å; M238-K242 WeakPolarHBondContact O-CG 3.2Å; M238-K242 PolarHBondContact O-N 3.28Å; M238-Y476 HydrophobicContact CE-CD1 4.05Å; M238-Y476 HydrophobicContact CE-CD2 3.81Å; M238-Y476 HydrophobicContact CE-CE1 4.09Å; M238-Y476 HydrophobicContact CE-CE2 3.84Å; M238-Y476 HydrophobicContact CE-CG 3.93Å; M238-Y476 HydrophobicContact SD-CD1 3.5Å; M238-Y476 VanDerWaalsContact SD-CD1 3.5Å; M238-Y476 HydrophobicContact SD-CD2 3.95Å; M238-Y476 HydrophobicContact SD-CE1 4.08Å; M238-Y476 HydrophobicContact SD-CE2 4.46Å; M238-Y476 HydrophobicContact SD-CG 3.45Å; M238-L479 HydrophobicContact CB-CD2 4.25Å; M238-L479 HydrophobicContact CG-CD2 4.47Å |
| 239 | G | 86.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A235 T236 G237 K242 G243 M483 | A235-G239 PolarHBondContact O-N 2.88Å; T236-G239 WeakPolarHBondContact O-CA 3.25Å; T236-G239 PolarHBondContact O-N 3.02Å; T236-G239 VanDerWaalsContact O-N 3.15Å; G237-G239 VanDerWaalsContact C-N 3.34Å; G239-K242 PolarHBondContact O-N 3.16Å; G239-G243 PolarHBondContact O-N 2.87Å; G239-M483 VanDerWaalsContact O-CE 3.31Å; G239-M483 WeakPolarHBondContact O-CE 3.31Å |
| 240 | V | 88.2 | Confident | 87 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 175 | 177.9 | 0 | 0 | 0 | 0 | 111 | T236 G237 M238 T244 T280 F284 V355 A357 V383 | T236-V240 WeakPolarHBondContact O-CG2 3.28Å; T236-V240 PolarHBondContact O-N 3.49Å; G237-V240 PolarHBondContact O-N 2.79Å; M238-V240 VanDerWaalsContact C-N 3.34Å; V240-T244 WeakPolarHBondContact O-CB 3.41Å; V240-T244 PolarHBondContact O-N 3.36Å; V240-T244 PolarHBondContact O-OG1 3.41Å; V240-T280 HydrophobicContact CB-CG2 4.21Å; V240-T280 HydrophobicContact CG1-CG2 3.86Å; V240-F284 HydrophobicContact CG1-CE2 4.23Å; V240-V355 HydrophobicContact CG1-CG1 3.51Å; V240-A357 HydrophobicContact CG1-CB 4.24Å; V240-A357 HydrophobicContact CG2-CB 3.94Å; V240-V383 HydrophobicContact CG1-CB 4.44Å; V240-V383 HydrophobicContact CG2-CB 4.29Å |
| 241 | L | 90.2 | Very high | 87.2 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.1 | -59.8 | 172.7 | 175.8 | 71.5 | 0 | 0 | 0 | 111 | G237 M238 G243 T244 S245 V263 C283 F284 A287 | G237-L241 PolarHBondContact O-N 2.97Å; M238-L241 PolarHBondContact O-N 3.33Å; L241-G243 VanDerWaalsContact C-N 3.32Å; L241-G243 PolarHBondContact O-N 3.4Å; L241-T244 PolarHBondContact O-N 3.45Å; L241-S245 PolarHBondContact O-N 3.18Å; L241-S245 PolarHBondContact O-OG 2.88Å; L241-V263 HydrophobicContact CD1-CG1 4.42Å; L241-C283 HydrophobicContact CB-CB 3.95Å; L241-C283 HydrophobicContact CD2-CB 3.93Å; L241-C283 HydrophobicContact CG-CB 4.47Å; L241-F284 HydrophobicContact CB-CD2 4.48Å; L241-F284 HydrophobicContact CB-CE2 4.23Å; L241-F284 HydrophobicContact CD1-CD1 3.89Å; L241-F284 HydrophobicContact CD1-CD2 4.17Å; L241-F284 HydrophobicContact CD1-CE1 3.9Å; L241-F284 HydrophobicContact CD1-CE2 4.19Å; L241-F284 HydrophobicContact CD1-CG 4.03Å; L241-F284 HydrophobicContact CD1-CZ 4.06Å; L241-A287 HydrophobicContact CD1-CB 3.87Å; L241-A287 HydrophobicContact CD2-CB 4.22Å |
| 242 | K | 88.4 | Confident | 87.4 | Confident | 72 Ų | 72 | 34.9 Ų | 34.9 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.9 | -35.5 | -171.6 | -68.5 | -65.6 | -176.6 | -179.5 | 0 | 113.3 | M238 G239 A480 M483 | M238-K242 HydrophobicContact CG-CG 4.26Å; M238-K242 WeakPolarHBondContact O-CB 3.12Å; M238-K242 VanDerWaalsContact O-CG 3.32Å; M238-K242 WeakPolarHBondContact O-CG 3.2Å; M238-K242 PolarHBondContact O-N 3.28Å; G239-K242 PolarHBondContact O-N 3.16Å; K242-A480 HydrophobicContact CD-CB 3.88Å; K242-A480 HydrophobicContact CG-CB 4.05Å; K242-M483 HydrophobicContact CB-CB 4.1Å; K242-M483 HydrophobicContact CB-CG 4.43Å |
| 243 | G | 87.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.2 | -35.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | G239 L241 F247 | G239-G243 PolarHBondContact O-N 2.87Å; L241-G243 VanDerWaalsContact C-N 3.32Å; L241-G243 PolarHBondContact O-N 3.4Å; G243-F247 VanDerWaalsContact O-CD2 3.22Å; G243-F247 WeakPolarHBondContact O-CD2 3.39Å; G243-F247 WeakPolarHBondContact O-CE2 3.33Å |
| 244 | T | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.1 | -43 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | V240 L241 V246 F247 L248 F284 V355 I378 | V240-T244 WeakPolarHBondContact O-CB 3.41Å; V240-T244 PolarHBondContact O-N 3.36Å; V240-T244 PolarHBondContact O-OG1 3.41Å; L241-T244 PolarHBondContact O-N 3.45Å; T244-V246 VanDerWaalsContact C-N 3.27Å; T244-V246 PolarHBondContact O-N 2.97Å; T244-F247 PolarHBondContact O-N 3.49Å; T244-L248 HydrophobicContact CG2-CD1 3.67Å; T244-L248 HydrophobicContact CG2-CG 3.89Å; T244-L248 WeakPolarHBondContact O-CG 3.09Å; T244-L248 PolarHBondContact O-N 3.19Å; T244-F284 HydrophobicContact CG2-CE1 4.16Å; T244-F284 HydrophobicContact CG2-CZ 3.82Å; T244-V355 HydrophobicContact CG2-CG2 4.06Å; T244-V355 WeakPolarHBondContact OG1-CG1 3.29Å; T244-I378 HydrophobicContact CG2-CD1 3.81Å |
| 245 | S | 91.5 | Very high | 88.2 | Confident | 15 Ų | 15 | 36 Ų | 36 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -49.8 | -45.3 | -179.5 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | L241 F247 L248 E249 | L241-S245 PolarHBondContact O-N 3.18Å; L241-S245 PolarHBondContact O-OG 2.88Å; S245-F247 VanDerWaalsContact C-N 3.3Å; S245-F247 PolarHBondContact O-N 3.5Å; S245-L248 CarbonylContact O-C 3.52Å; S245-L248 PolarHBondContact O-N 3.34Å; S245-L248 VanDerWaalsContact O-N 3.07Å; S245-E249 WeakPolarHBondContact O-CB 3.44Å; S245-E249 VanDerWaalsContact O-CG 3.27Å; S245-E249 WeakPolarHBondContact O-CG 3.23Å; S245-E249 PolarHBondContact O-N 3.38Å |
| 246 | V | 90.3 | Very high | 88.2 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -31.5 | -179 | 179 | 0 | 0 | 0 | 0 | 113.1 | T244 D250 E484 A487 K488 L491 | T244-V246 VanDerWaalsContact C-N 3.27Å; T244-V246 PolarHBondContact O-N 2.97Å; V246-D250 PolarHBondContact O-N 3.07Å; V246-E484 HydrophobicContact CG2-CB 4.14Å; V246-E484 HydrophobicContact CG2-CG 3.76Å; V246-A487 HydrophobicContact CB-CB 3.77Å; V246-A487 HydrophobicContact CG1-CB 3.69Å; V246-A487 HydrophobicContact CG2-CB 4.38Å; V246-K488 HydrophobicContact CG1-CG 4.25Å; V246-L491 HydrophobicContact CG1-CD1 4.41Å |
| 247 | F | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.6 | -33.8 | 173.1 | -60.6 | -56 | 0 | 0 | 0 | 111.9 | G243 T244 S245 E249 D250 L253 M254 I378 F382 A487 I490 L491 L503 | G243-F247 VanDerWaalsContact O-CD2 3.22Å; G243-F247 WeakPolarHBondContact O-CD2 3.39Å; G243-F247 WeakPolarHBondContact O-CE2 3.33Å; T244-F247 PolarHBondContact O-N 3.49Å; S245-F247 VanDerWaalsContact C-N 3.3Å; S245-F247 PolarHBondContact O-N 3.5Å; F247-E249 VanDerWaalsContact C-N 3.33Å; F247-D250 PolarHBondContact O-N 2.82Å; F247-L253 HydrophobicContact CB-CD2 3.94Å; F247-L253 HydrophobicContact CD1-CD2 4.15Å; F247-L253 HydrophobicContact CG-CD2 4.43Å; F247-M254 WeakPolarHBondContact O-CE 3.5Å; F247-I378 HydrophobicContact CB-CD1 4.02Å; F247-I378 HydrophobicContact CD2-CD1 4Å; F247-I378 HydrophobicContact CD2-CG1 4.04Å; F247-I378 HydrophobicContact CD2-CG2 3.79Å; F247-I378 HydrophobicContact CE2-CG2 3.89Å; F247-I378 HydrophobicContact CG-CD1 4.42Å; F247-F382 AromaticContact CE2-CD1 3.69Å; F247-F382 HydrophobicContact CE2-CD1 3.69Å; F247-F382 AromaticContact CE2-CE1 3.56Å; F247-F382 HydrophobicContact CE2-CE1 3.56Å; F247-F382 HydrophobicContact CZ-CD1 4Å; F247-F382 AromaticContact CZ-CE1 3.93Å; F247-F382 HydrophobicContact CZ-CE1 3.93Å; F247-A487 HydrophobicContact CE1-CB 4.18Å; F247-A487 HydrophobicContact CE2-CB 4.39Å; F247-A487 HydrophobicContact CZ-CB 3.97Å; F247-I490 HydrophobicContact CE1-CB 4.46Å; F247-I490 HydrophobicContact CE1-CG2 4.24Å; F247-I490 HydrophobicContact CZ-CB 4.34Å; F247-I490 HydrophobicContact CZ-CD1 4.24Å; F247-I490 HydrophobicContact CZ-CG2 4.17Å; F247-L491 HydrophobicContact CD1-CD1 4.41Å; F247-L491 HydrophobicContact CD1-CD2 4.06Å; F247-L491 HydrophobicContact CD1-CG 4.2Å; F247-L491 HydrophobicContact CE1-CD2 4.19Å; F247-L491 HydrophobicContact CE1-CG 4.05Å; F247-L503 HydrophobicContact CD1-CD1 3.82Å; F247-L503 HydrophobicContact CD1-CD2 4.14Å; F247-L503 HydrophobicContact CD2-CD1 4.08Å; F247-L503 HydrophobicContact CE1-CD1 3.97Å; F247-L503 HydrophobicContact CE1-CD2 3.88Å; F247-L503 HydrophobicContact CE2-CD1 4.2Å; F247-L503 HydrophobicContact CG-CD1 3.88Å; F247-L503 HydrophobicContact CZ-CD1 4.16Å; F247-L503 HydrophobicContact CZ-CD2 4.5Å |
| 248 | L | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.4 | -22 | 175.3 | -60.6 | -178.6 | 0 | 0 | 0 | 113.1 | T244 S245 M254 P261 G262 V263 L344 I353 | T244-L248 HydrophobicContact CG2-CD1 3.67Å; T244-L248 HydrophobicContact CG2-CG 3.89Å; T244-L248 WeakPolarHBondContact O-CG 3.09Å; T244-L248 PolarHBondContact O-N 3.19Å; S245-L248 CarbonylContact O-C 3.52Å; S245-L248 PolarHBondContact O-N 3.34Å; S245-L248 VanDerWaalsContact O-N 3.07Å; L248-M254 HydrophobicContact CD2-CE 3.91Å; L248-M254 HydrophobicContact CD2-SD 3.7Å; L248-M254 WeakPolarHBondContact O-CG 3.49Å; L248-P261 CarbonylContact O-C 3.51Å; L248-P261 WeakPolarHBondContact O-CA 3.44Å; L248-P261 WeakPolarHBondContact O-CB 3.26Å; L248-G262 PolarHBondContact O-N 3.32Å; L248-V263 HydrophobicContact CD1-CG2 4.01Å; L248-L344 HydrophobicContact CD1-CD1 4.08Å; L248-L344 HydrophobicContact CD1-CD2 3.92Å; L248-L344 HydrophobicContact CD2-CD2 4.01Å; L248-I353 HydrophobicContact CD2-CD1 3.36Å |
| 249 | E | 91.3 | Very high | 88.8 | Confident | 119 Ų | 119 | 43.7 Ų | 43.7 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -84.8 | -12.7 | 175.2 | -73.5 | 161.9 | -157.8 | 0 | 0 | 112.8 | S245 F247 E251 | S245-E249 WeakPolarHBondContact O-CB 3.44Å; S245-E249 VanDerWaalsContact O-CG 3.27Å; S245-E249 WeakPolarHBondContact O-CG 3.23Å; S245-E249 PolarHBondContact O-N 3.38Å; F247-E249 VanDerWaalsContact C-N 3.33Å; E249-E251 PolarHBondContact O-N 3.04Å |
| 250 | D | 89.9 | Confident | 89 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | trans | -77 | 106.3 | 176.6 | -171.1 | -60.5 | 0 | 0 | 0 | 111.1 | V246 F247 A252 L253 M254 | V246-D250 PolarHBondContact O-N 3.07Å; F247-D250 PolarHBondContact O-N 2.82Å; D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 2.71Å; D250-A252 WeakPolarHBondContact OD1-CA 3.24Å; D250-A252 WeakPolarHBondContact OD1-CB 3.42Å; D250-A252 PolarHBondContact OD1-N 2.79Å; D250-L253 HydrophobicContact CB-CB 3.92Å; D250-L253 PolarHBondContact O-N 2.81Å; D250-L253 PolarHBondContact OD1-N 2.9Å; D250-M254 WeakPolarHBondContact O-CB 3.27Å; D250-M254 WeakPolarHBondContact O-CG 3.25Å; D250-M254 PolarHBondContact O-N 3.43Å | ||
| 251 | E | 88.6 | Confident | 89.2 | Confident | 152 Ų | 152 | 51.8 Ų | 51.8 | 71% | 0.71 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.5 | -35.4 | -178.6 | -60.2 | -167.6 | 154.2 | 0 | 0 | 113.4 | E249 K255 P261 | E249-E251 PolarHBondContact O-N 3.04Å; E251-K255 WeakPolarHBondContact O-CB 3.21Å; E251-K255 PolarHBondContact O-N 2.74Å; E251-P261 HydrophobicContact CG-CG 4.13Å |
| 252 | A | 86.9 | Confident | 89.2 | Confident | 72 Ų | 72 | 52 Ų | 52 | 60% | 0.595 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -74.1 | -40.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D250 S256 | D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 2.71Å; D250-A252 WeakPolarHBondContact OD1-CA 3.24Å; D250-A252 WeakPolarHBondContact OD1-CB 3.42Å; D250-A252 PolarHBondContact OD1-N 2.79Å; A252-S256 PolarHBondContact O-N 2.7Å |
| 253 | L | 87.2 | Confident | 89.3 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -46.5 | 176.4 | -168.6 | 63.1 | 0 | 0 | 0 | 111.4 | F247 D250 S256 L376 L491 N501 L503 | F247-L253 HydrophobicContact CB-CD2 3.94Å; F247-L253 HydrophobicContact CD1-CD2 4.15Å; F247-L253 HydrophobicContact CG-CD2 4.43Å; D250-L253 HydrophobicContact CB-CB 3.92Å; D250-L253 PolarHBondContact O-N 2.81Å; D250-L253 PolarHBondContact OD1-N 2.9Å; L253-S256 WeakPolarHBondContact O-CB 3.34Å; L253-S256 PolarHBondContact O-N 2.94Å; L253-S256 VanDerWaalsContact O-N 3.11Å; L253-S256 PolarHBondContact O-OG 2.83Å; L253-L376 HydrophobicContact CD1-CD1 3.86Å; L253-L376 HydrophobicContact CD2-CD1 4.24Å; L253-L376 HydrophobicContact CD2-CD2 3.88Å; L253-L376 HydrophobicContact CG-CD1 4.21Å; L253-L376 HydrophobicContact CG-CD2 4.01Å; L253-L491 HydrophobicContact CD2-CD2 4.43Å; L253-N501 HydrophobicContact CD1-CB 4.26Å; L253-L503 HydrophobicContact CD2-CD1 4.29Å; L253-L503 HydrophobicContact CD2-CD2 4.47Å |
| 254 | M | 89.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 178.5 | -68.5 | -63.8 | 99.8 | 0 | 0 | 112.4 | F247 L248 D250 S256 I257 D258 M259 P261 I353 L376 | F247-M254 WeakPolarHBondContact O-CE 3.5Å; L248-M254 HydrophobicContact CD2-CE 3.91Å; L248-M254 HydrophobicContact CD2-SD 3.7Å; L248-M254 WeakPolarHBondContact O-CG 3.49Å; D250-M254 WeakPolarHBondContact O-CB 3.27Å; D250-M254 WeakPolarHBondContact O-CG 3.25Å; D250-M254 PolarHBondContact O-N 3.43Å; M254-S256 VanDerWaalsContact C-N 3.28Å; M254-S256 PolarHBondContact O-N 3.44Å; M254-I257 HydrophobicContact CE-CD1 3.66Å; M254-I257 HydrophobicContact CE-CG1 4.4Å; M254-I257 WeakPolarHBondContact O-CG1 3.24Å; M254-I257 PolarHBondContact O-N 3.34Å; M254-I257 HydrophobicContact SD-CD1 4.24Å; M254-D258 PolarHBondContact O-N 3.42Å; M254-M259 CarbonylContact C-O 3.53Å; M254-M259 PolarHBondContact O-N 2.89Å; M254-M259 HydrophobicContact SD-CB 4.34Å; M254-P261 HydrophobicContact CB-CG 4.33Å; M254-I353 HydrophobicContact CE-CD1 3.94Å; M254-I353 HydrophobicContact SD-CD1 4.03Å; M254-L376 HydrophobicContact CE-CD2 3.56Å |
| 255 | K | 87.2 | Confident | 89.3 | Confident | 177 Ų | 177 | 57.3 Ų | 57.3 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.5 | -29.8 | 171.2 | -172.5 | 172.2 | -176.9 | 174.6 | 0 | 113.1 | E251 I257 D258 | E251-K255 WeakPolarHBondContact O-CB 3.21Å; E251-K255 PolarHBondContact O-N 2.74Å; K255-I257 PolarHBondContact O-N 2.88Å; K255-D258 PolarHBondContact O-N 3.4Å |
| 256 | S | 85 | Confident | 89.4 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.8 | 177.6 | 81.3 | 0 | 0 | 0 | 0 | 114.7 | A252 L253 M254 | A252-S256 PolarHBondContact O-N 2.7Å; L253-S256 WeakPolarHBondContact O-CB 3.34Å; L253-S256 PolarHBondContact O-N 2.94Å; L253-S256 VanDerWaalsContact O-N 3.11Å; L253-S256 PolarHBondContact O-OG 2.83Å; M254-S256 VanDerWaalsContact C-N 3.28Å; M254-S256 PolarHBondContact O-N 3.44Å |
| 257 | I | 87.4 | Confident | 89.5 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 13 | 179.1 | 64.2 | 173.1 | 0 | 0 | 0 | 113 | M254 K255 M259 K352 I353 Q374 L376 | M254-I257 HydrophobicContact CE-CD1 3.66Å; M254-I257 HydrophobicContact CE-CG1 4.4Å; M254-I257 WeakPolarHBondContact O-CG1 3.24Å; M254-I257 PolarHBondContact O-N 3.34Å; M254-I257 HydrophobicContact SD-CD1 4.24Å; K255-I257 PolarHBondContact O-N 2.88Å; I257-M259 HydrophobicContact CD1-CB 4.49Å; I257-M259 HydrophobicContact CD1-CG 4.21Å; I257-M259 HydrophobicContact CD1-SD 3.67Å; I257-M259 HydrophobicContact CG1-CB 4.21Å; I257-M259 HydrophobicContact CG1-CG 4.04Å; I257-M259 HydrophobicContact CG1-SD 4.16Å; I257-K352 PolarHBondContact O-NZ 3.28Å; I257-I353 HydrophobicContact CD1-CD1 3.71Å; I257-I353 HydrophobicContact CD1-CG1 3.57Å; I257-Q374 VanDerWaalsContact CG2-O 3.24Å; I257-Q374 WeakPolarHBondContact CG2-O 3.37Å; I257-L376 HydrophobicContact CD1-CB 3.96Å; I257-L376 HydrophobicContact CD1-CD2 4.17Å; I257-L376 HydrophobicContact CG2-CB 4.3Å |
| 258 | D | 86.8 | Confident | 89.5 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 70% | 0.695 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 54.7 | -179.5 | 171 | 62.9 | 0 | 0 | 0 | 112.3 | M254 K255 K352 | M254-D258 PolarHBondContact O-N 3.42Å; K255-D258 PolarHBondContact O-N 3.4Å; D258-K352 PolarHBondContact O-NZ 3.13Å; D258-K352 IonicContact OD2-NZ 2.71Å; D258-K352 PolarHBondContact OD2-NZ 3.14Å |
| 259 | M | 88 | Confident | 89.6 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | trans | -135.2 | 154.1 | 176.7 | -65.2 | -175 | 91.1 | 0 | 0 | 112.4 | M254 I257 D343 K352 I353 | M254-M259 CarbonylContact C-O 3.53Å; M254-M259 PolarHBondContact O-N 2.89Å; M254-M259 HydrophobicContact SD-CB 4.34Å; I257-M259 HydrophobicContact CD1-CB 4.49Å; I257-M259 HydrophobicContact CD1-CG 4.21Å; I257-M259 HydrophobicContact CD1-SD 3.67Å; I257-M259 HydrophobicContact CG1-CB 4.21Å; I257-M259 HydrophobicContact CG1-CG 4.04Å; I257-M259 HydrophobicContact CG1-SD 4.16Å; M259-D343 HydrophobicContact CE-CB 3.63Å; M259-D343 VanDerWaalsContact CE-OD1 3.23Å; M259-D343 WeakPolarHBondContact CE-OD1 3.28Å; M259-K352 HydrophobicContact CE-CB 4.2Å; M259-K352 HydrophobicContact CE-CD 4.24Å; M259-K352 HydrophobicContact CG-CD 3.62Å; M259-K352 HydrophobicContact SD-CB 3.67Å; M259-K352 HydrophobicContact SD-CD 3.67Å; M259-K352 HydrophobicContact SD-CG 4.32Å; M259-I353 HydrophobicContact CE-CD1 4.24Å; M259-I353 HydrophobicContact CE-CG1 4.46Å; M259-I353 HydrophobicContact SD-CD1 3.6Å; M259-I353 VanDerWaalsContact SD-CD1 3.6Å; M259-I353 HydrophobicContact SD-CG1 3.67Å | ||
| 260 | T | 90.8 | Very high | 89.4 | Confident | 101 Ų | 101 | 51.8 Ų | 51.8 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | trans | -74.5 | 144 | 169.9 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | K266 | T260-K266 VanDerWaalsContact O-CE 3.3Å; T260-K266 WeakPolarHBondContact O-CE 3.44Å; T260-K266 PolarHBondContact O-NZ 2.79Å | ||
| 261 | P | 91.7 | Very high | 89.2 | Confident | 69 Ų | 69 | 53 Ų | 53 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -66.9 | 161.5 | 172.3 | -21.8 | 34.1 | 0 | 0 | 0 | 114.6 | L248 E251 M254 | L248-P261 CarbonylContact O-C 3.51Å; L248-P261 WeakPolarHBondContact O-CA 3.44Å; L248-P261 WeakPolarHBondContact O-CB 3.26Å; E251-P261 HydrophobicContact CG-CG 4.13Å; M254-P261 HydrophobicContact CB-CG 4.33Å |
| 262 | G | 91 | Very high | 88.9 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 95.4 | 174.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L248 K266 | L248-G262 PolarHBondContact O-N 3.32Å; G262-K266 WeakPolarHBondContact O-CD 3.42Å; G262-K266 WeakPolarHBondContact O-CE 3.23Å |
| 263 | V | 89.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -96.6 | -40.2 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | L241 L248 K266 F284 A287 A289 | L241-V263 HydrophobicContact CD1-CG1 4.42Å; L248-V263 HydrophobicContact CD1-CG2 4.01Å; V263-K266 WeakPolarHBondContact O-CB 3.46Å; V263-K266 PolarHBondContact O-N 3.23Å; V263-F284 HydrophobicContact CG1-CD1 3.98Å; V263-F284 HydrophobicContact CG1-CE1 4.36Å; V263-A287 HydrophobicContact CB-CB 4.35Å; V263-A287 HydrophobicContact CG1-CB 3.67Å; V263-A289 HydrophobicContact CG1-CB 3.81Å |
| 264 | T | 91.9 | Very high | 88.4 | Confident | 113 Ų | 113 | 44.6 Ų | 44.6 | 69% | 0.693 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 135.4 | -168.8 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | K266 A287 G288 | T264-K266 VanDerWaalsContact C-N 3.28Å; T264-K266 PolarHBondContact O-N 3.07Å; T264-A287 PolarHBondContact OG1-O 3.46Å; T264-G288 WeakPolarHBondContact CA-O 3.05Å |
| 265 | G | 88.4 | Confident | 87.7 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 61% | 0.608 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -13.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G288 | G265-G288 PolarHBondContact N-O 3.02Š|
| 266 | K | 92.2 | Very high | 87.3 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | trans | -70.4 | 140.4 | 176.4 | -68.6 | -170 | -176.2 | -62 | 0 | 111.5 | T260 G262 V263 T264 A289 K290 D343 L344 | T260-K266 VanDerWaalsContact O-CE 3.3Å; T260-K266 WeakPolarHBondContact O-CE 3.44Å; T260-K266 PolarHBondContact O-NZ 2.79Å; G262-K266 WeakPolarHBondContact O-CD 3.42Å; G262-K266 WeakPolarHBondContact O-CE 3.23Å; V263-K266 WeakPolarHBondContact O-CB 3.46Å; V263-K266 PolarHBondContact O-N 3.23Å; T264-K266 VanDerWaalsContact C-N 3.28Å; T264-K266 PolarHBondContact O-N 3.07Å; K266-A289 CarbonylContact O-C 3.58Å; K266-A289 WeakPolarHBondContact O-CA 3.33Å; K266-A289 WeakPolarHBondContact O-CB 3.4Å; K266-K290 PolarHBondContact O-N 3.15Å; K266-D343 HydrophobicContact CB-CB 3.75Å; K266-D343 HydrophobicContact CD-CB 4.26Å; K266-D343 HydrophobicContact CG-CB 4.09Å; K266-L344 HydrophobicContact CB-CD1 3.99Å; K266-L344 HydrophobicContact CD-CD1 4.15Å; K266-L344 HydrophobicContact CD-CG 4.42Å | ||
| 267 | T | 93.5 | Very high | 87.2 | Confident | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.6 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 112 | K290 I292 C342 D343 L344 | T267-K290 CarbonylContact C-O 2.98Å; T267-K290 WeakPolarHBondContact CA-O 3.41Å; T267-K290 HydrophobicContact CG2-CB 4.42Å; T267-K290 HydrophobicContact CG2-CD 4.35Å; T267-I292 HydrophobicContact CG2-CG2 4.02Å; T267-C342 VanDerWaalsContact OG1-CA 3.3Å; T267-C342 WeakPolarHBondContact OG1-CA 3.19Å; T267-D343 PolarHBondContact N-OD2 3.04Å; T267-D343 WeakPolarHBondContact O-CA 3.37Å; T267-D343 WeakPolarHBondContact O-CB 3.46Å; T267-D343 PolarHBondContact O-N 3.19Å; T267-D343 PolarHBondContact OG1-N 3.05Å; T267-D343 VanDerWaalsContact OG1-N 3.16Å; T267-D343 PolarHBondContact OG1-OD2 2.94Å; T267-L344 PolarHBondContact O-N 3.14Å |
| 268 | F | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.4 | -178.6 | 76.1 | -94.1 | 0 | 0 | 0 | 115.1 | V270 C281 F284 A289 K290 C291 I292 L344 | F268-V270 HydrophobicContact CD2-CG2 3.65Å; F268-V270 HydrophobicContact CE2-CG2 3.64Å; F268-C281 HydrophobicContact CE2-CB 4.2Å; F268-C281 WeakPolarHBondContact CZ-O 3.41Å; F268-F284 HydrophobicContact CD1-CB 4.09Å; F268-F284 HydrophobicContact CE1-CB 3.6Å; F268-F284 HydrophobicContact CE2-CB 4.27Å; F268-F284 HydrophobicContact CZ-CB 3.71Å; F268-A289 HydrophobicContact CD1-CB 3.75Å; F268-A289 HydrophobicContact CE1-CB 3.96Å; F268-K290 VanDerWaalsContact CD1-C 3.43Å; F268-K290 WeakPolarHBondContact CD1-O 3.01Å; F268-K290 PolarHBondContact N-O 2.74Å; F268-C291 HydrophobicContact CD2-CB 4.41Å; F268-C291 HydrophobicContact CE1-CB 3.89Å; F268-C291 HydrophobicContact CE2-CB 3.76Å; F268-C291 HydrophobicContact CZ-CB 3.47Å; F268-C291 VanDerWaalsContact CZ-CB 3.47Å; F268-I292 PolarHBondContact O-N 2.83Å; F268-L344 WeakPolarHBondContact CA-O 3.15Å; F268-L344 HydrophobicContact CB-CB 3.8Å; F268-L344 WeakPolarHBondContact CB-O 3.33Å |
| 269 | I | 91.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.6 | 177.5 | -63.8 | 178.3 | 0 | 0 | 0 | 109.4 | I292 G293 L337 E340 C342 L344 L345 I346 | I269-I292 HydrophobicContact CD1-CD1 4.41Å; I269-I292 HydrophobicContact CD1-CG1 4.25Å; I269-I292 HydrophobicContact CG1-CD1 4.38Å; I269-I292 HydrophobicContact CG1-CG1 3.76Å; I269-G293 VanDerWaalsContact CA-O 3.22Å; I269-G293 WeakPolarHBondContact CA-O 3.31Å; I269-G293 WeakPolarHBondContact CG2-O 3.35Å; I269-L337 HydrophobicContact CD1-CD1 4.25Å; I269-L337 HydrophobicContact CG2-CG 4.38Å; I269-E340 HydrophobicContact CD1-CB 4.03Å; I269-E340 WeakPolarHBondContact CD1-O 3.24Å; I269-C342 HydrophobicContact CD1-CB 4.26Å; I269-C342 HydrophobicContact CG1-CB 4.22Å; I269-L344 PolarHBondContact N-O 3.03Å; I269-L344 VanDerWaalsContact N-O 3.12Å; I269-L345 HydrophobicContact CB-CD1 3.71Å; I269-L345 HydrophobicContact CG2-CD1 3.8Å; I269-I346 PolarHBondContact O-N 3.45Å |
| 270 | V | 88.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.6 | -177.3 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | F268 C281 G293 I294 I295 I346 | F268-V270 HydrophobicContact CD2-CG2 3.65Å; F268-V270 HydrophobicContact CE2-CG2 3.64Å; V270-C281 HydrophobicContact CG2-CB 4.24Å; V270-G293 PolarHBondContact N-O 3.05Å; V270-I294 CarbonylContact O-C 3.59Å; V270-I294 VanDerWaalsContact O-CA 3.28Å; V270-I294 WeakPolarHBondContact O-CA 3.3Å; V270-I295 PolarHBondContact O-N 3.07Å; V270-I346 HydrophobicContact CG2-CB 4.44Å; V270-I346 HydrophobicContact CG2-CD1 4.35Å |
| 271 | Q | 84.2 | Confident | 87.1 | Confident | 72 Ų | 72 | 30.8 Ų | 30.8 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.1 | 170.1 | -176.1 | 178.9 | 51.1 | 0 | 0 | 111 | I295 M338 I346 P347 | Q271-I295 HydrophobicContact CB-CB 4.41Å; Q271-I295 HydrophobicContact CG-CB 4.35Å; Q271-I295 HydrophobicContact CG-CG2 4.45Å; Q271-M338 PolarHBondContact NE2-SD 2.83Å; Q271-M338 VanDerWaalsContact NE2-SD 3.37Å; Q271-I346 PolarHBondContact N-O 3.1Å; Q271-P347 WeakPolarHBondContact CB-O 3.21Å |
| 272 | G | 82.3 | Confident | 87 | Confident | 28 Ų | 28 | 30.7 Ų | 30.7 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | trans | 78.7 | 83.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G274 G277 I295 | G272-G274 PolarHBondContact O-N 3.46Å; G272-G277 WeakPolarHBondContact O-CA 3.46Å; G272-I295 PolarHBondContact N-O 2.71Å | ||
| 273 | Y | 84.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 26.4 | -178.7 | -154.6 | -106.6 | 0 | 0 | 0 | 115 | K278 C281 I294 L312 F316 I322 | Y273-K278 HydrophobicContact CD1-CB 4.3Å; Y273-K278 HydrophobicContact CE1-CB 3.99Å; Y273-K278 HydrophobicContact CE1-CD 4.29Å; Y273-K278 HydrophobicContact CE1-CG 4.06Å; Y273-K278 HydrophobicContact CE2-CB 4.35Å; Y273-C281 HydrophobicContact CE2-CB 3.87Å; Y273-I294 HydrophobicContact CD2-CD1 3.95Å; Y273-I294 HydrophobicContact CD2-CG2 3.66Å; Y273-I294 HydrophobicContact CE2-CD1 3.76Å; Y273-I294 HydrophobicContact CG-CG2 4.04Å; Y273-L312 HydrophobicContact CE1-CD2 4.21Å; Y273-L312 HydrophobicContact CE1-CG 4.33Å; Y273-L312 HydrophobicContact CE2-CD2 4.01Å; Y273-F316 AromaticContact CD1-CD2 3.9Å; Y273-F316 HydrophobicContact CD1-CD2 3.9Å; Y273-F316 HydrophobicContact CD1-CE2 4.14Å; Y273-F316 HydrophobicContact CD1-CG 4.1Å; Y273-F316 HydrophobicContact CE1-CB 4.32Å; Y273-F316 HydrophobicContact CE1-CD2 4.39Å; Y273-F316 HydrophobicContact CE1-CG 4.18Å; Y273-I322 HydrophobicContact CD1-CG2 3.7Å; Y273-I322 HydrophobicContact CE1-CG2 4.33Å; Y273-I322 HydrophobicContact CG-CG2 4.02Å |
| 274 | G | 78.8 | Confident | 87 | Confident | 36 Ų | 36 | 30 Ų | 30 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -172.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G272 V276 G277 K278 | G272-G274 PolarHBondContact O-N 3.46Å; G274-V276 CarbonylContact O-C 3.6Å; G274-V276 PolarHBondContact O-N 3.13Å; G274-G277 PolarHBondContact O-N 3.05Å; G274-K278 PolarHBondContact O-N 2.69Å |
| 275 | N | 76.7 | Confident | 87 | Confident | 85 Ų | 85 | 27 Ų | 27 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -46.4 | -42 | -174 | -176 | 105.2 | 0 | 0 | 0 | 114.3 | N233 H279 | N233-N275 PolarHBondContact O-ND2 3.34Å; N275-H279 WeakPolarHBondContact O-CB 3.44Å; N275-H279 PolarHBondContact O-CD2 3.3Å; N275-H279 PolarHBondContact O-N 2.92Å |
| 276 | V | 77.7 | Confident | 87.1 | Confident | 45 Ų | 45 | 29.1 Ų | 29.1 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -72.8 | -47.9 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | T236 G274 T280 A357 | T236-V276 HydrophobicContact CG2-CB 4.5Å; T236-V276 HydrophobicContact CG2-CG1 3.83Å; T236-V276 HydrophobicContact CG2-CG2 3.86Å; G274-V276 CarbonylContact O-C 3.6Å; G274-V276 PolarHBondContact O-N 3.13Å; V276-T280 VanDerWaalsContact O-CB 3.23Å; V276-T280 WeakPolarHBondContact O-CB 3.27Å; V276-T280 PolarHBondContact O-N 3.41Å; V276-T280 PolarHBondContact O-OG1 2.63Å; V276-A357 HydrophobicContact CG1-CB 4.06Å |
| 277 | G | 83.7 | Confident | 87 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G272 G274 T280 C281 | G272-G277 WeakPolarHBondContact O-CA 3.46Å; G274-G277 PolarHBondContact O-N 3.05Å; G277-T280 PolarHBondContact O-N 2.77Å; G277-C281 VanDerWaalsContact O-CB 3.24Å; G277-C281 WeakPolarHBondContact O-CB 3.42Å; G277-C281 PolarHBondContact O-N 2.94Å |
| 278 | K | 85.3 | Confident | 86.9 | Confident | 22 Ų | 22 | 30.8 Ų | 30.8 | 10% | 0.096 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.8 | -58.8 | 175.8 | 175.7 | 169.4 | 174.3 | 164.6 | 0 | 111.5 | Y273 G274 T280 C281 R282 E313 E317 | Y273-K278 HydrophobicContact CD1-CB 4.3Å; Y273-K278 HydrophobicContact CE1-CB 3.99Å; Y273-K278 HydrophobicContact CE1-CD 4.29Å; Y273-K278 HydrophobicContact CE1-CG 4.06Å; Y273-K278 HydrophobicContact CE2-CB 4.35Å; G274-K278 PolarHBondContact O-N 2.69Å; K278-T280 VanDerWaalsContact C-N 3.32Å; K278-T280 PolarHBondContact O-N 3.36Å; K278-C281 WeakPolarHBondContact O-CB 3.33Å; K278-C281 PolarHBondContact O-N 2.8Å; K278-R282 WeakPolarHBondContact O-CB 3.46Å; K278-R282 PolarHBondContact O-N 3.48Å; K278-E313 HydrophobicContact CD-CG 4.35Å; K278-E313 VanDerWaalsContact CE-CD 3.47Å; K278-E313 WeakPolarHBondContact CE-OE1 3.35Å; K278-E313 HydrophobicContact CG-CG 4.19Å; K278-E313 VanDerWaalsContact CG-OE1 3.24Å; K278-E313 WeakPolarHBondContact CG-OE1 3.22Å; K278-E317 IonicContact NZ-OE1 3.49Å; K278-E317 PolarHBondContact NZ-OE1 3.24Å |
| 279 | H | 86.9 | Confident | 86.9 | Confident | 48 Ų | 48 | 31 Ų | 31 | 22% | 0.222 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -31.4 | -179.9 | -70 | -48.2 | 0 | 0 | 0 | 113.5 | N233 A234 N275 C283 | N233-H279 PolarHBondContact O-CD2 3.25Å; N233-H279 VanDerWaalsContact O-CD2 3.29Å; A234-H279 VanDerWaalsContact CA-CD2 3.49Å; A234-H279 WeakPolarHBondContact CA-CD2 3.41Å; A234-H279 HydrophobicContact CB-CB 4.28Å; N275-H279 WeakPolarHBondContact O-CB 3.44Å; N275-H279 PolarHBondContact O-CD2 3.3Å; N275-H279 PolarHBondContact O-N 2.92Å; H279-C283 VanDerWaalsContact O-CB 3.31Å; H279-C283 WeakPolarHBondContact O-CB 3.43Å; H279-C283 PolarHBondContact O-N 3.26Å; H279-C283 PolarHBondContact O-SG 3.16Å |
| 280 | T | 87.9 | Confident | 87 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -49.6 | 173.5 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | G237 V240 V276 G277 K278 R282 C283 F284 I346 | G237-T280 VanDerWaalsContact CA-OG1 3.28Å; G237-T280 WeakPolarHBondContact CA-OG1 3.41Å; V240-T280 HydrophobicContact CB-CG2 4.21Å; V240-T280 HydrophobicContact CG1-CG2 3.86Å; V276-T280 VanDerWaalsContact O-CB 3.23Å; V276-T280 WeakPolarHBondContact O-CB 3.27Å; V276-T280 PolarHBondContact O-N 3.41Å; V276-T280 PolarHBondContact O-OG1 2.63Å; G277-T280 PolarHBondContact O-N 2.77Å; K278-T280 VanDerWaalsContact C-N 3.32Å; K278-T280 PolarHBondContact O-N 3.36Å; T280-R282 VanDerWaalsContact C-N 3.3Å; T280-R282 PolarHBondContact O-N 2.98Å; T280-C283 PolarHBondContact O-N 3.46Å; T280-F284 HydrophobicContact CG2-CD2 3.72Å; T280-F284 HydrophobicContact CG2-CE2 3.79Å; T280-F284 WeakPolarHBondContact O-CD2 3.46Å; T280-F284 PolarHBondContact O-N 2.82Å; T280-I346 HydrophobicContact CG2-CD1 3.71Å |
| 281 | C | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.2 | -46.8 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | F268 V270 Y273 G277 K278 F284 H285 C291 V309 | F268-C281 HydrophobicContact CE2-CB 4.2Å; F268-C281 WeakPolarHBondContact CZ-O 3.41Å; V270-C281 HydrophobicContact CG2-CB 4.24Å; Y273-C281 HydrophobicContact CE2-CB 3.87Å; G277-C281 VanDerWaalsContact O-CB 3.24Å; G277-C281 WeakPolarHBondContact O-CB 3.42Å; G277-C281 PolarHBondContact O-N 2.94Å; K278-C281 WeakPolarHBondContact O-CB 3.33Å; K278-C281 PolarHBondContact O-N 2.8Å; C281-F284 PolarHBondContact O-N 2.97Å; C281-H285 VanDerWaalsContact O-CB 3.31Å; C281-H285 WeakPolarHBondContact O-CB 3.23Å; C281-H285 PolarHBondContact O-N 2.98Å; C281-C291 VanDerWaalsContact SG-SG 3.66Å; C281-V309 HydrophobicContact CB-CG1 4.5Å; C281-V309 VanDerWaalsContact SG-CG2 3.57Å |
| 282 | R | 90.5 | Very high | 87.7 | Confident | 68 Ų | 68 | 31.1 Ų | 31.1 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.7 | -162.6 | 64 | 169.9 | 96.9 | 23.4 | 112.9 | K278 T280 F284 H285 D286 V309 E313 | K278-R282 WeakPolarHBondContact O-CB 3.46Å; K278-R282 PolarHBondContact O-N 3.48Å; T280-R282 VanDerWaalsContact C-N 3.3Å; T280-R282 PolarHBondContact O-N 2.98Å; R282-F284 PolarHBondContact O-N 3.34Å; R282-H285 WeakPolarHBondContact O-CB 3.43Å; R282-H285 PolarHBondContact O-N 2.88Å; R282-D286 IonicContact CZ-OD1 1.77Å; R282-D286 IonicContact CZ-OD2 3.17Å; R282-D286 IonicContact NH1-OD1 3.16Å; R282-D286 PolarHBondContact NH1-OD1 3.29Å; R282-D286 IonicContact NH1-OD2 2.79Å; R282-D286 PolarHBondContact NH1-OD2 3.15Å; R282-D286 IonicContact NH2-OD2 2.72Å; R282-D286 PolarHBondContact O-N 3Å; R282-V309 HydrophobicContact CB-CG1 4.38Å; R282-E313 VanDerWaalsContact CD-CD 3.49Å; R282-E313 WeakPolarHBondContact CD-OE2 3.44Å; R282-E313 IonicContact NE-OE2 2.94Å; R282-E313 PolarHBondContact NE-OE2 3.08Å |
| 283 | C | 89.5 | Confident | 88.2 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 12% | 0.115 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.7 | -72.6 | 0 | 0 | 0 | 0 | 112.8 | L241 H279 T280 A287 | L241-C283 HydrophobicContact CB-CB 3.95Å; L241-C283 HydrophobicContact CD2-CB 3.93Å; L241-C283 HydrophobicContact CG-CB 4.47Å; H279-C283 VanDerWaalsContact O-CB 3.31Å; H279-C283 WeakPolarHBondContact O-CB 3.43Å; H279-C283 PolarHBondContact O-N 3.26Å; H279-C283 PolarHBondContact O-SG 3.16Å; T280-C283 PolarHBondContact O-N 3.46Å; C283-A287 WeakPolarHBondContact O-CB 3.46Å; C283-A287 PolarHBondContact O-N 2.66Å; C283-A287 VanDerWaalsContact O-N 3.12Å |
| 284 | F | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.6 | -39.2 | 176.9 | -87.3 | -87.4 | 0 | 0 | 0 | 112.3 | V240 L241 T244 V263 F268 T280 C281 R282 D286 A287 G288 A289 L344 I346 | V240-F284 HydrophobicContact CG1-CE2 4.23Å; L241-F284 HydrophobicContact CB-CD2 4.48Å; L241-F284 HydrophobicContact CB-CE2 4.23Å; L241-F284 HydrophobicContact CD1-CD1 3.89Å; L241-F284 HydrophobicContact CD1-CD2 4.17Å; L241-F284 HydrophobicContact CD1-CE1 3.9Å; L241-F284 HydrophobicContact CD1-CE2 4.19Å; L241-F284 HydrophobicContact CD1-CG 4.03Å; L241-F284 HydrophobicContact CD1-CZ 4.06Å; T244-F284 HydrophobicContact CG2-CE1 4.16Å; T244-F284 HydrophobicContact CG2-CZ 3.82Å; V263-F284 HydrophobicContact CG1-CD1 3.98Å; V263-F284 HydrophobicContact CG1-CE1 4.36Å; F268-F284 HydrophobicContact CD1-CB 4.09Å; F268-F284 HydrophobicContact CE1-CB 3.6Å; F268-F284 HydrophobicContact CE2-CB 4.27Å; F268-F284 HydrophobicContact CZ-CB 3.71Å; T280-F284 HydrophobicContact CG2-CD2 3.72Å; T280-F284 HydrophobicContact CG2-CE2 3.79Å; T280-F284 WeakPolarHBondContact O-CD2 3.46Å; T280-F284 PolarHBondContact O-N 2.82Å; C281-F284 PolarHBondContact O-N 2.97Å; R282-F284 PolarHBondContact O-N 3.34Å; F284-D286 PolarHBondContact O-N 2.97Å; F284-A287 PolarHBondContact O-N 2.86Å; F284-G288 PolarHBondContact O-N 3.12Å; F284-A289 HydrophobicContact CB-CB 4.26Å; F284-A289 HydrophobicContact CD1-CB 4.24Å; F284-A289 WeakPolarHBondContact O-CB 3.11Å; F284-A289 PolarHBondContact O-N 3.32Å; F284-L344 HydrophobicContact CD1-CD1 4.18Å; F284-L344 HydrophobicContact CE1-CD1 3.93Å; F284-I346 HydrophobicContact CD2-CD1 4.23Å; F284-I346 HydrophobicContact CE2-CD1 4.08Å |
| 285 | H | 92.4 | Very high | 89 | Confident | 50 Ų | 50 | 28.2 Ų | 28.2 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56 | -49.2 | 172.3 | 178.5 | -84.7 | 0 | 0 | 0 | 112 | C281 R282 A287 G288 A289 V309 | C281-H285 VanDerWaalsContact O-CB 3.31Å; C281-H285 WeakPolarHBondContact O-CB 3.23Å; C281-H285 PolarHBondContact O-N 2.98Å; R282-H285 WeakPolarHBondContact O-CB 3.43Å; R282-H285 PolarHBondContact O-N 2.88Å; H285-A287 VanDerWaalsContact C-N 3.25Å; H285-A287 PolarHBondContact O-N 2.96Å; H285-G288 WeakPolarHBondContact O-CA 3.35Å; H285-G288 PolarHBondContact O-N 2.97Å; H285-A289 WeakPolarHBondContact CA-O 3.23Å; H285-V309 HydrophobicContact CB-CB 4.12Å; H285-V309 HydrophobicContact CB-CG2 3.86Å |
| 286 | D | 90.4 | Very high | 89.4 | Confident | 102 Ų | 102 | 26 Ų | 26 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -75.6 | -13.9 | -177.6 | -65.4 | -17.1 | 0 | 0 | 0 | 113.4 | R282 F284 | R282-D286 IonicContact CZ-OD1 1.77Å; R282-D286 IonicContact CZ-OD2 3.17Å; R282-D286 IonicContact NH1-OD1 3.16Å; R282-D286 PolarHBondContact NH1-OD1 3.29Å; R282-D286 IonicContact NH1-OD2 2.79Å; R282-D286 PolarHBondContact NH1-OD2 3.15Å; R282-D286 IonicContact NH2-OD2 2.72Å; R282-D286 PolarHBondContact O-N 3Å; F284-D286 PolarHBondContact O-N 2.97Å |
| 287 | A | 89.8 | Confident | 89.6 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 24% | 0.24 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L241 V263 T264 C283 F284 H285 | L241-A287 HydrophobicContact CD1-CB 3.87Å; L241-A287 HydrophobicContact CD2-CB 4.22Å; V263-A287 HydrophobicContact CB-CB 4.35Å; V263-A287 HydrophobicContact CG1-CB 3.67Å; T264-A287 PolarHBondContact OG1-O 3.46Å; C283-A287 WeakPolarHBondContact O-CB 3.46Å; C283-A287 PolarHBondContact O-N 2.66Å; C283-A287 VanDerWaalsContact O-N 3.12Å; F284-A287 PolarHBondContact O-N 2.86Å; H285-A287 VanDerWaalsContact C-N 3.25Å; H285-A287 PolarHBondContact O-N 2.96Å |
| 288 | G | 92 | Very high | 89.5 | Confident | 36 Ų | 36 | 35 Ų | 35 | 37% | 0.371 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 16.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | T264 G265 F284 H285 | T264-G288 WeakPolarHBondContact CA-O 3.05Å; G265-G288 PolarHBondContact N-O 3.02Å; F284-G288 PolarHBondContact O-N 3.12Å; H285-G288 WeakPolarHBondContact O-CA 3.35Å; H285-G288 PolarHBondContact O-N 2.97Å |
| 289 | A | 92.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | trans | -82.4 | 156.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V263 K266 F268 F284 H285 | V263-A289 HydrophobicContact CG1-CB 3.81Å; K266-A289 CarbonylContact O-C 3.58Å; K266-A289 WeakPolarHBondContact O-CA 3.33Å; K266-A289 WeakPolarHBondContact O-CB 3.4Å; F268-A289 HydrophobicContact CD1-CB 3.75Å; F268-A289 HydrophobicContact CE1-CB 3.96Å; F284-A289 HydrophobicContact CB-CB 4.26Å; F284-A289 HydrophobicContact CD1-CB 4.24Å; F284-A289 WeakPolarHBondContact O-CB 3.11Å; F284-A289 PolarHBondContact O-N 3.32Å; H285-A289 WeakPolarHBondContact CA-O 3.23Å | ||
| 290 | K | 94 | Very high | 89.9 | Confident | 77 Ų | 77 | 32 Ų | 32 | 34% | 0.335 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 108.9 | -168.8 | -174 | -179.9 | -174.3 | -176.9 | 0 | 111.1 | K266 T267 F268 I292 R304 Q305 | K266-K290 PolarHBondContact O-N 3.15Å; T267-K290 CarbonylContact C-O 2.98Å; T267-K290 WeakPolarHBondContact CA-O 3.41Å; T267-K290 HydrophobicContact CG2-CB 4.42Å; T267-K290 HydrophobicContact CG2-CD 4.35Å; F268-K290 VanDerWaalsContact CD1-C 3.43Å; F268-K290 WeakPolarHBondContact CD1-O 3.01Å; F268-K290 PolarHBondContact N-O 2.74Å; K290-I292 HydrophobicContact CD-CG2 4.28Å; K290-I292 HydrophobicContact CG-CG2 4.09Å; K290-I292 PolarHBondContact O-N 3.21Å; K290-R304 PolarHBondContact NZ-O 2.83Å; K290-R304 VanDerWaalsContact NZ-O 3.1Å; K290-Q305 WeakPolarHBondContact CE-O 3.48Å; K290-Q305 PolarHBondContact NZ-O 2.88Å |
| 291 | C | 93.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.5 | 171.9 | -166.7 | 0 | 0 | 0 | 0 | 109.1 | F268 C281 G306 I307 V309 | F268-C291 HydrophobicContact CD2-CB 4.41Å; F268-C291 HydrophobicContact CE1-CB 3.89Å; F268-C291 HydrophobicContact CE2-CB 3.76Å; F268-C291 HydrophobicContact CZ-CB 3.47Å; F268-C291 VanDerWaalsContact CZ-CB 3.47Å; C281-C291 VanDerWaalsContact SG-SG 3.66Å; C291-G306 WeakPolarHBondContact O-CA 3.35Å; C291-I307 HydrophobicContact CB-CB 4.39Å; C291-I307 PolarHBondContact O-N 2.9Å; C291-V309 HydrophobicContact CB-CG2 3.93Å |
| 292 | I | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -12.6 | 176.7 | 66 | 166.7 | 0 | 0 | 0 | 113.8 | T267 F268 I269 K290 F302 N303 C342 | T267-I292 HydrophobicContact CG2-CG2 4.02Å; F268-I292 PolarHBondContact O-N 2.83Å; I269-I292 HydrophobicContact CD1-CD1 4.41Å; I269-I292 HydrophobicContact CD1-CG1 4.25Å; I269-I292 HydrophobicContact CG1-CD1 4.38Å; I269-I292 HydrophobicContact CG1-CG1 3.76Å; K290-I292 HydrophobicContact CD-CG2 4.28Å; K290-I292 HydrophobicContact CG-CG2 4.09Å; K290-I292 PolarHBondContact O-N 3.21Å; I292-F302 HydrophobicContact CD1-CE2 4.26Å; I292-F302 HydrophobicContact CG1-CE2 4.48Å; I292-F302 CarbonylContact O-C 3.53Å; I292-F302 WeakPolarHBondContact O-CA 3.41Å; I292-F302 WeakPolarHBondContact O-CD2 3.17Å; I292-N303 WeakPolarHBondContact CA-O 3.22Å; I292-N303 WeakPolarHBondContact CB-O 3.32Å; I292-N303 PolarHBondContact O-N 2.74Å; I292-C342 HydrophobicContact CD1-CB 3.91Å; I292-C342 HydrophobicContact CG1-CB 4.45Å |
| 293 | G | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 146 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | I269 V270 I301 | I269-G293 VanDerWaalsContact CA-O 3.22Å; I269-G293 WeakPolarHBondContact CA-O 3.31Å; I269-G293 WeakPolarHBondContact CG2-O 3.35Å; V270-G293 PolarHBondContact N-O 3.05Å; G293-I301 CarbonylContact C-O 3.6Å; G293-I301 VanDerWaalsContact CA-O 3.25Å; G293-I301 WeakPolarHBondContact CA-O 3.07Å |
| 294 | I | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135 | 179.3 | -58 | 169.3 | 0 | 0 | 0 | 109.4 | V270 Y273 A300 I301 I307 L312 I322 | V270-I294 CarbonylContact O-C 3.59Å; V270-I294 VanDerWaalsContact O-CA 3.28Å; V270-I294 WeakPolarHBondContact O-CA 3.3Å; Y273-I294 HydrophobicContact CD2-CD1 3.95Å; Y273-I294 HydrophobicContact CD2-CG2 3.66Å; Y273-I294 HydrophobicContact CE2-CD1 3.76Å; Y273-I294 HydrophobicContact CG-CG2 4.04Å; I294-A300 CarbonylContact O-C 3.49Å; I294-A300 VanDerWaalsContact O-CA 3.31Å; I294-A300 WeakPolarHBondContact O-CA 3.39Å; I294-I301 HydrophobicContact CB-CG1 4.09Å; I294-I301 PolarHBondContact N-O 3.07Å; I294-I301 PolarHBondContact O-N 3.25Å; I294-I307 HydrophobicContact CD1-CD1 4.32Å; I294-I307 HydrophobicContact CG1-CD1 4.28Å; I294-L312 HydrophobicContact CD1-CD2 3.2Å; I294-I322 HydrophobicContact CB-CD1 4.07Å; I294-I322 HydrophobicContact CG2-CD1 3.52Å |
| 295 | I | 89.7 | Confident | 90.5 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.6 | -177 | -53.4 | 172.1 | 0 | 0 | 0 | 108.8 | V270 Q271 G272 A300 L337 M338 | V270-I295 PolarHBondContact O-N 3.07Å; Q271-I295 HydrophobicContact CB-CB 4.41Å; Q271-I295 HydrophobicContact CG-CB 4.35Å; Q271-I295 HydrophobicContact CG-CG2 4.45Å; G272-I295 PolarHBondContact N-O 2.71Å; I295-A300 HydrophobicContact CB-CB 4.38Å; I295-A300 HydrophobicContact CG1-CB 4.13Å; I295-A300 HydrophobicContact CG2-CB 4.37Å; I295-L337 HydrophobicContact CD1-CB 3.79Å; I295-L337 HydrophobicContact CD1-CD2 4.47Å; I295-L337 HydrophobicContact CD1-CG 4.13Å; I295-L337 HydrophobicContact CG1-CB 3.89Å; I295-L337 HydrophobicContact CG1-CD2 3.75Å; I295-L337 HydrophobicContact CG1-CG 3.96Å; I295-M338 HydrophobicContact CD1-CB 4.45Å; I295-M338 HydrophobicContact CD1-CG 3.49Å; I295-M338 VanDerWaalsContact CD1-CG 3.49Å |
| 296 | E | 85.1 | Confident | 90.5 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 173.3 | 172.6 | -112.6 | -68.6 | -124.3 | 0 | 0 | 112.5 | N298 G299 I322 R334 | E296-N298 PolarHBondContact O-N 3.32Å; E296-G299 PolarHBondContact N-O 3.46Å; E296-G299 PolarHBondContact O-N 3.26Å; E296-G299 VanDerWaalsContact O-O 3.13Å; E296-I322 HydrophobicContact CB-CD1 3.9Å; E296-I322 HydrophobicContact CB-CG1 4.31Å; E296-I322 HydrophobicContact CG-CD1 4.21Å; E296-R334 PolarHBondContact O-NH1 3.44Å |
| 297 | Y | 80.6 | Confident | 90.6 | Very high | 175 Ų | 175 | 37.2 Ų | 37.2 | 69% | 0.686 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.2 | 177.2 | 79.1 | -88.3 | 0 | 0 | 0 | 113.7 | R334 | Y297-R334 PolarHBondContact O-NH1 3.42Š|
| 298 | N | 82.7 | Confident | 90.8 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 6 | -176 | 77.1 | -49.8 | 0 | 0 | 0 | 115.7 | E296 T321 V323 | E296-N298 PolarHBondContact O-N 3.32Å; N298-T321 PolarHBondContact ND2-OG1 2.99Å; N298-T321 PolarHBondContact OD1-OG1 3.05Å; N298-V323 WeakPolarHBondContact ND2-CG2 3.31Å |
| 299 | G | 88.5 | Confident | 90.8 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | E296 | E296-G299 PolarHBondContact N-O 3.46Å; E296-G299 PolarHBondContact O-N 3.26Å; E296-G299 VanDerWaalsContact O-O 3.13Å |
| 300 | A | 91.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | I294 I295 A330 Y331 R334 L337 | I294-A300 CarbonylContact O-C 3.49Å; I294-A300 VanDerWaalsContact O-CA 3.31Å; I294-A300 WeakPolarHBondContact O-CA 3.39Å; I295-A300 HydrophobicContact CB-CB 4.38Å; I295-A300 HydrophobicContact CG1-CB 4.13Å; I295-A300 HydrophobicContact CG2-CB 4.37Å; A300-A330 WeakPolarHBondContact O-CA 3.28Å; A300-Y331 PolarHBondContact O-N 2.93Å; A300-R334 HydrophobicContact CB-CB 3.65Å; A300-L337 HydrophobicContact CB-CB 4.46Å; A300-L337 HydrophobicContact CB-CD2 3.86Å |
| 301 | I | 93.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.2 | 178.9 | 59.6 | 168.2 | 0 | 0 | 0 | 111.6 | G293 I294 I307 L312 I322 F325 A328 V329 L337 | G293-I301 CarbonylContact C-O 3.6Å; G293-I301 VanDerWaalsContact CA-O 3.25Å; G293-I301 WeakPolarHBondContact CA-O 3.07Å; I294-I301 HydrophobicContact CB-CG1 4.09Å; I294-I301 PolarHBondContact N-O 3.07Å; I294-I301 PolarHBondContact O-N 3.25Å; I301-I307 HydrophobicContact CD1-CD1 4.24Å; I301-I307 HydrophobicContact CG1-CD1 4.27Å; I301-L312 HydrophobicContact CD1-CD1 3.91Å; I301-L312 HydrophobicContact CD1-CD2 4.34Å; I301-I322 HydrophobicContact CD1-CB 4.1Å; I301-I322 HydrophobicContact CG1-CD1 4.2Å; I301-I322 WeakPolarHBondContact CG2-O 3.08Å; I301-F325 HydrophobicContact CD1-CB 4.16Å; I301-F325 HydrophobicContact CD1-CD1 4.11Å; I301-F325 HydrophobicContact CD1-CG 4.48Å; I301-A328 HydrophobicContact CB-CB 3.82Å; I301-A328 HydrophobicContact CD1-CB 4.19Å; I301-A328 HydrophobicContact CG1-CB 4.39Å; I301-V329 CarbonylContact C-O 3.39Å; I301-V329 WeakPolarHBondContact CA-O 3.27Å; I301-L337 VanDerWaalsContact O-CD2 3.29Å; I301-L337 WeakPolarHBondContact O-CD2 3.16Å |
| 302 | F | 93.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 11% | 0.114 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.5 | -175.9 | -179.6 | -113.6 | 0 | 0 | 0 | 112.3 | I292 R304 V329 Y331 L337 E340 | I292-F302 HydrophobicContact CD1-CE2 4.26Å; I292-F302 HydrophobicContact CG1-CE2 4.48Å; I292-F302 CarbonylContact O-C 3.53Å; I292-F302 WeakPolarHBondContact O-CA 3.41Å; I292-F302 WeakPolarHBondContact O-CD2 3.17Å; F302-R304 HydrophobicContact CE1-CB 4.34Å; F302-R304 HydrophobicContact CZ-CB 4.3Å; F302-V329 HydrophobicContact CB-CG2 4.4Å; F302-V329 HydrophobicContact CD1-CG2 4.48Å; F302-V329 PolarHBondContact N-O 3.5Å; F302-V329 WeakPolarHBondContact O-CG2 3.3Å; F302-V329 PolarHBondContact O-N 3.17Å; F302-Y331 HydrophobicContact CB-CD2 3.8Å; F302-Y331 HydrophobicContact CB-CG 4.38Å; F302-Y331 HydrophobicContact CD1-CD2 4.11Å; F302-Y331 HydrophobicContact CD1-CE2 4.39Å; F302-Y331 AromaticContact CG-CD2 3.99Å; F302-Y331 HydrophobicContact CG-CD2 3.99Å; F302-Y331 HydrophobicContact CG-CE2 4.49Å; F302-L337 HydrophobicContact CB-CD1 4.1Å; F302-L337 HydrophobicContact CB-CD2 4.49Å; F302-L337 HydrophobicContact CD2-CD1 3.5Å; F302-L337 VanDerWaalsContact CD2-CD1 3.5Å; F302-L337 HydrophobicContact CE2-CD1 4.14Å; F302-L337 HydrophobicContact CG-CD1 4.06Å; F302-E340 HydrophobicContact CE2-CB 4.19Å; F302-E340 HydrophobicContact CE2-CG 4.15Å; F302-E340 HydrophobicContact CZ-CG 4.19Å; F302-E340 WeakPolarHBondContact CZ-OE2 3.38Å |
| 303 | N | 94 | Very high | 90.4 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | trans | -150.4 | 109.5 | 168.5 | -175.1 | -20 | 0 | 0 | 0 | 110.4 | I292 Q305 G306 I307 D327 A328 | I292-N303 WeakPolarHBondContact CA-O 3.22Å; I292-N303 WeakPolarHBondContact CB-O 3.32Å; I292-N303 PolarHBondContact O-N 2.74Å; N303-Q305 PolarHBondContact O-N 3.05Å; N303-Q305 VanDerWaalsContact OD1-CA 3.26Å; N303-Q305 WeakPolarHBondContact OD1-CA 3.33Å; N303-Q305 VanDerWaalsContact OD1-CB 3.24Å; N303-Q305 WeakPolarHBondContact OD1-CB 3.42Å; N303-Q305 PolarHBondContact OD1-N 3.15Å; N303-Q305 PolarHBondContact OD1-OE1 3.17Å; N303-G306 PolarHBondContact ND2-O 2.68Å; N303-G306 WeakPolarHBondContact O-CA 3.09Å; N303-G306 PolarHBondContact O-N 2.69Å; N303-G306 PolarHBondContact OD1-N 3.32Å; N303-G306 VanDerWaalsContact OD1-N 3.11Å; N303-I307 HydrophobicContact CB-CG1 3.79Å; N303-D327 PolarHBondContact ND2-O 3.42Å; N303-A328 HydrophobicContact CB-CB 4.31Å | ||
| 304 | R | 90.3 | Very high | 90.3 | Very high | 102 Ų | 102 | 42.3 Ų | 42.3 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29.7 | 178 | -155.7 | 82.7 | -164.5 | 165.6 | 22.2 | 112.5 | K290 F302 G306 E340 K341 | K290-R304 PolarHBondContact NZ-O 2.83Å; K290-R304 VanDerWaalsContact NZ-O 3.1Å; F302-R304 HydrophobicContact CE1-CB 4.34Å; F302-R304 HydrophobicContact CZ-CB 4.3Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-E340 IonicContact NH1-OE2 2.74Å; R304-E340 PolarHBondContact NH1-OE2 3.04Å; R304-K341 VanDerWaalsContact CZ-O 3.26Å; R304-K341 PolarHBondContact NH1-O 3.16Å; R304-K341 PolarHBondContact NH2-O 3Å |
| 305 | Q | 89.6 | Confident | 90.4 | Very high | 156 Ų | 156 | 44.3 Ų | 44.3 | 73% | 0.729 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.6 | 175.1 | -67.8 | 77.7 | -11 | 0 | 0 | 112.4 | K290 N303 | K290-Q305 WeakPolarHBondContact CE-O 3.48Å; K290-Q305 PolarHBondContact NZ-O 2.88Å; N303-Q305 PolarHBondContact O-N 3.05Å; N303-Q305 VanDerWaalsContact OD1-CA 3.26Å; N303-Q305 WeakPolarHBondContact OD1-CA 3.33Å; N303-Q305 VanDerWaalsContact OD1-CB 3.24Å; N303-Q305 WeakPolarHBondContact OD1-CB 3.42Å; N303-Q305 PolarHBondContact OD1-N 3.15Å; N303-Q305 PolarHBondContact OD1-OE1 3.17Å |
| 306 | G | 91.7 | Very high | 90.4 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | trans | 111.9 | 135.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C291 N303 R304 | C291-G306 WeakPolarHBondContact O-CA 3.35Å; N303-G306 PolarHBondContact ND2-O 2.68Å; N303-G306 WeakPolarHBondContact O-CA 3.09Å; N303-G306 PolarHBondContact O-N 2.69Å; N303-G306 PolarHBondContact OD1-N 3.32Å; N303-G306 VanDerWaalsContact OD1-N 3.11Å; R304-G306 VanDerWaalsContact C-N 3.29Å | ||
| 307 | I | 93.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | trans | -85.3 | 125.4 | 174.7 | -57.3 | 177.9 | 0 | 0 | 0 | 108.4 | C291 I294 I301 N303 V309 L312 F325 A328 | C291-I307 HydrophobicContact CB-CB 4.39Å; C291-I307 PolarHBondContact O-N 2.9Å; I294-I307 HydrophobicContact CD1-CD1 4.32Å; I294-I307 HydrophobicContact CG1-CD1 4.28Å; I301-I307 HydrophobicContact CD1-CD1 4.24Å; I301-I307 HydrophobicContact CG1-CD1 4.27Å; N303-I307 HydrophobicContact CB-CG1 3.79Å; I307-V309 PolarHBondContact O-N 3.25Å; I307-L312 HydrophobicContact CG2-CB 4.4Å; I307-L312 HydrophobicContact CG2-CD2 4.12Å; I307-F325 HydrophobicContact CG2-CD1 4.38Å; I307-F325 HydrophobicContact CG2-CE1 3.89Å; I307-A328 HydrophobicContact CD1-CB 4.44Å; I307-A328 HydrophobicContact CG1-CB 4.38Å | ||
| 308 | D | 92.8 | Very high | 90.9 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | trans | -71.7 | 107.3 | 171.3 | -176 | 68.6 | 0 | 0 | 0 | 109.9 | S311 L312 | D308-S311 PolarHBondContact O-N 2.93Å; D308-S311 WeakPolarHBondContact OD2-CB 3.26Å; D308-S311 PolarHBondContact OD2-N 2.91Å; D308-S311 PolarHBondContact OD2-OG 3.47Å; D308-L312 PolarHBondContact O-N 3.46Å; D308-L312 VanDerWaalsContact O-N 3.08Å | ||
| 309 | V | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | -174.2 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | C281 R282 H285 C291 I307 S311 L312 E313 | C281-V309 HydrophobicContact CB-CG1 4.5Å; C281-V309 VanDerWaalsContact SG-CG2 3.57Å; R282-V309 HydrophobicContact CB-CG1 4.38Å; H285-V309 HydrophobicContact CB-CB 4.12Å; H285-V309 HydrophobicContact CB-CG2 3.86Å; C291-V309 HydrophobicContact CB-CG2 3.93Å; I307-V309 PolarHBondContact O-N 3.25Å; V309-S311 PolarHBondContact O-N 3.45Å; V309-L312 PolarHBondContact O-N 3Å; V309-E313 HydrophobicContact CG1-CG 4.24Å; V309-E313 WeakPolarHBondContact O-CG 3.45Å; V309-E313 PolarHBondContact O-N 2.88Å |
| 310 | P | 91.7 | Very high | 91 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -53.6 | -47.9 | 172.4 | -27.2 | 34.3 | 0 | 0 | 0 | 114.3 | E313 A314 | P310-E313 PolarHBondContact O-N 3.27Å; P310-A314 PolarHBondContact O-N 3.47Å |
| 311 | S | 93.2 | Very high | 90.9 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | -179.5 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | D308 V309 A314 Y315 | D308-S311 PolarHBondContact O-N 2.93Å; D308-S311 WeakPolarHBondContact OD2-CB 3.26Å; D308-S311 PolarHBondContact OD2-N 2.91Å; D308-S311 PolarHBondContact OD2-OG 3.47Å; V309-S311 PolarHBondContact O-N 3.45Å; S311-A314 PolarHBondContact O-N 3.27Å; S311-Y315 WeakPolarHBondContact O-CB 3.4Å; S311-Y315 PolarHBondContact O-N 3.3Å |
| 312 | L | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 171 | -179.3 | 68.8 | 0 | 0 | 0 | 112.6 | Y273 I294 I301 I307 D308 V309 A314 Y315 F316 I322 F325 | Y273-L312 HydrophobicContact CE1-CD2 4.21Å; Y273-L312 HydrophobicContact CE1-CG 4.33Å; Y273-L312 HydrophobicContact CE2-CD2 4.01Å; I294-L312 HydrophobicContact CD1-CD2 3.2Å; I301-L312 HydrophobicContact CD1-CD1 3.91Å; I301-L312 HydrophobicContact CD1-CD2 4.34Å; I307-L312 HydrophobicContact CG2-CB 4.4Å; I307-L312 HydrophobicContact CG2-CD2 4.12Å; D308-L312 PolarHBondContact O-N 3.46Å; D308-L312 VanDerWaalsContact O-N 3.08Å; V309-L312 PolarHBondContact O-N 3Å; L312-A314 VanDerWaalsContact C-N 3.27Å; L312-A314 PolarHBondContact O-N 3.18Å; L312-Y315 PolarHBondContact O-N 3.05Å; L312-F316 VanDerWaalsContact O-CB 3.29Å; L312-F316 WeakPolarHBondContact O-CB 3.33Å; L312-F316 PolarHBondContact O-N 3.05Å; L312-I322 HydrophobicContact CD1-CB 4.2Å; L312-I322 HydrophobicContact CD1-CG2 4.05Å; L312-F325 HydrophobicContact CB-CE1 4.1Å; L312-F325 HydrophobicContact CB-CE2 4.18Å; L312-F325 HydrophobicContact CB-CZ 3.91Å; L312-F325 HydrophobicContact CD1-CB 4.06Å; L312-F325 HydrophobicContact CD1-CD1 3.82Å; L312-F325 HydrophobicContact CD1-CD2 3.85Å; L312-F325 HydrophobicContact CD1-CE1 4.22Å; L312-F325 HydrophobicContact CD1-CE2 4.27Å; L312-F325 HydrophobicContact CD1-CG 3.61Å; L312-F325 HydrophobicContact CD1-CZ 4.45Å |
| 313 | E | 89 | Confident | 90.4 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 177.8 | -73.8 | -162.6 | 127.9 | 0 | 0 | 111.3 | K278 R282 V309 P310 E317 | K278-E313 HydrophobicContact CD-CG 4.35Å; K278-E313 VanDerWaalsContact CE-CD 3.47Å; K278-E313 WeakPolarHBondContact CE-OE1 3.35Å; K278-E313 HydrophobicContact CG-CG 4.19Å; K278-E313 VanDerWaalsContact CG-OE1 3.24Å; K278-E313 WeakPolarHBondContact CG-OE1 3.22Å; R282-E313 VanDerWaalsContact CD-CD 3.49Å; R282-E313 WeakPolarHBondContact CD-OE2 3.44Å; R282-E313 IonicContact NE-OE2 2.94Å; R282-E313 PolarHBondContact NE-OE2 3.08Å; V309-E313 HydrophobicContact CG1-CG 4.24Å; V309-E313 WeakPolarHBondContact O-CG 3.45Å; V309-E313 PolarHBondContact O-N 2.88Å; P310-E313 PolarHBondContact O-N 3.27Å; E313-E317 WeakPolarHBondContact O-CG 3.43Å; E313-E317 PolarHBondContact O-N 3.06Å; E313-E317 VanDerWaalsContact O-N 3.1Å |
| 314 | A | 90.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 49% | 0.488 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.4 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P310 S311 L312 F316 E317 E318 | P310-A314 PolarHBondContact O-N 3.47Å; S311-A314 PolarHBondContact O-N 3.27Å; L312-A314 VanDerWaalsContact C-N 3.27Å; L312-A314 PolarHBondContact O-N 3.18Å; A314-F316 VanDerWaalsContact C-N 3.33Å; A314-F316 PolarHBondContact O-N 3.34Å; A314-E317 PolarHBondContact O-N 2.98Å; A314-E318 PolarHBondContact O-N 3.44Å |
| 315 | Y | 92.6 | Very high | 90.2 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 175.5 | -176.6 | -84.6 | 0 | 0 | 0 | 111.6 | S311 L312 E317 E318 K319 T321 V323 D324 F325 | S311-Y315 WeakPolarHBondContact O-CB 3.4Å; S311-Y315 PolarHBondContact O-N 3.3Å; L312-Y315 PolarHBondContact O-N 3.05Å; Y315-E317 VanDerWaalsContact C-N 3.34Å; Y315-E317 PolarHBondContact O-N 3.49Å; Y315-E318 PolarHBondContact O-N 3.19Å; Y315-K319 HydrophobicContact CD1-CB 4.33Å; Y315-K319 HydrophobicContact CD1-CG 4Å; Y315-K319 HydrophobicContact CD2-CG 4.24Å; Y315-K319 HydrophobicContact CE1-CB 4.01Å; Y315-K319 HydrophobicContact CE1-CG 3.69Å; Y315-K319 HydrophobicContact CE2-CG 3.98Å; Y315-K319 HydrophobicContact CG-CG 4.26Å; Y315-K319 WeakPolarHBondContact O-CB 3.4Å; Y315-K319 WeakPolarHBondContact O-CG 3.49Å; Y315-K319 PolarHBondContact O-N 3.1Å; Y315-T321 WeakPolarHBondContact CD1-O 3.32Å; Y315-T321 WeakPolarHBondContact CE1-O 3.35Å; Y315-V323 WeakPolarHBondContact CE1-O 3.3Å; Y315-V323 PolarHBondContact OH-O 3.05Å; Y315-D324 PolarHBondContact OH-O 3.45Å; Y315-F325 HydrophobicContact CD1-CB 4.33Å; Y315-F325 AromaticContact CD1-CD2 3.99Å; Y315-F325 HydrophobicContact CD1-CD2 3.99Å; Y315-F325 AromaticContact CD2-CD2 3.88Å; Y315-F325 HydrophobicContact CD2-CD2 3.88Å; Y315-F325 HydrophobicContact CE1-CB 4.3Å; Y315-F325 HydrophobicContact CE2-CD2 4.5Å; Y315-F325 AromaticContact CG-CD2 3.59Å; Y315-F325 HydrophobicContact CG-CD2 3.59Å; Y315-F325 HydrophobicContact CG-CE2 4.26Å |
| 316 | F | 88.7 | Confident | 90.1 | Very high | 44 Ų | 44 | 53 Ų | 53 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 177.6 | -173.4 | -91.6 | 0 | 0 | 0 | 112.4 | Y273 L312 A314 G320 T321 I322 | Y273-F316 AromaticContact CD1-CD2 3.9Å; Y273-F316 HydrophobicContact CD1-CD2 3.9Å; Y273-F316 HydrophobicContact CD1-CE2 4.14Å; Y273-F316 HydrophobicContact CD1-CG 4.1Å; Y273-F316 HydrophobicContact CE1-CB 4.32Å; Y273-F316 HydrophobicContact CE1-CD2 4.39Å; Y273-F316 HydrophobicContact CE1-CG 4.18Å; L312-F316 VanDerWaalsContact O-CB 3.29Å; L312-F316 WeakPolarHBondContact O-CB 3.33Å; L312-F316 PolarHBondContact O-N 3.05Å; A314-F316 VanDerWaalsContact C-N 3.33Å; A314-F316 PolarHBondContact O-N 3.34Å; F316-G320 VanDerWaalsContact O-CA 3.24Å; F316-G320 WeakPolarHBondContact O-CA 3.3Å; F316-G320 PolarHBondContact O-N 2.92Å; F316-T321 VanDerWaalsContact CD2-C 3.49Å; F316-I322 HydrophobicContact CD2-CG2 3.61Å; F316-I322 HydrophobicContact CE2-CG2 4.14Å |
| 317 | E | 86.7 | Confident | 89.9 | Confident | 146 Ų | 146 | 56 Ų | 56 | 68% | 0.682 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.8 | -30.1 | 173.7 | -78.6 | 175.4 | -160.9 | 0 | 0 | 113.1 | K278 E313 A314 Y315 | K278-E317 IonicContact NZ-OE1 3.49Å; K278-E317 PolarHBondContact NZ-OE1 3.24Å; E313-E317 WeakPolarHBondContact O-CG 3.43Å; E313-E317 PolarHBondContact O-N 3.06Å; E313-E317 VanDerWaalsContact O-N 3.1Å; A314-E317 PolarHBondContact O-N 2.98Å; Y315-E317 VanDerWaalsContact C-N 3.34Å; Y315-E317 PolarHBondContact O-N 3.49Å |
| 318 | E | 89.5 | Confident | 89.8 | Confident | 141 Ų | 141 | 56.5 Ų | 56.5 | 66% | 0.659 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -80.9 | -44.4 | 175.5 | -158.3 | -150.3 | 137.5 | 0 | 0 | 113 | A314 Y315 | A314-E318 PolarHBondContact O-N 3.44Å; Y315-E318 PolarHBondContact O-N 3.19Å |
| 319 | K | 89.7 | Confident | 89.8 | Confident | 106 Ų | 106 | 58 Ų | 58 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -98.7 | -18.6 | -170.9 | -53.9 | -51 | -174.2 | -170.9 | 0 | 114.6 | Y315 T321 | Y315-K319 HydrophobicContact CD1-CB 4.33Å; Y315-K319 HydrophobicContact CD1-CG 4Å; Y315-K319 HydrophobicContact CD2-CG 4.24Å; Y315-K319 HydrophobicContact CE1-CB 4.01Å; Y315-K319 HydrophobicContact CE1-CG 3.69Å; Y315-K319 HydrophobicContact CE2-CG 3.98Å; Y315-K319 HydrophobicContact CG-CG 4.26Å; Y315-K319 WeakPolarHBondContact O-CB 3.4Å; Y315-K319 WeakPolarHBondContact O-CG 3.49Å; Y315-K319 PolarHBondContact O-N 3.1Å; K319-T321 HydrophobicContact CB-CG2 4.43Å; K319-T321 PolarHBondContact O-N 3.16Å |
| 320 | G | 84.8 | Confident | 89.8 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 70.5 | 11 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | F316 | F316-G320 VanDerWaalsContact O-CA 3.24Å; F316-G320 WeakPolarHBondContact O-CA 3.3Å; F316-G320 PolarHBondContact O-N 2.92Å |
| 321 | T | 88.8 | Confident | 89.6 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -151.1 | 165.2 | 177.9 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | N298 Y315 F316 K319 V323 | N298-T321 PolarHBondContact ND2-OG1 2.99Å; N298-T321 PolarHBondContact OD1-OG1 3.05Å; Y315-T321 WeakPolarHBondContact CD1-O 3.32Å; Y315-T321 WeakPolarHBondContact CE1-O 3.35Å; F316-T321 VanDerWaalsContact CD2-C 3.49Å; K319-T321 HydrophobicContact CB-CG2 4.43Å; K319-T321 PolarHBondContact O-N 3.16Å; T321-V323 HydrophobicContact CG2-CB 4.25Å; T321-V323 PolarHBondContact OG1-N 3.28Å |
| 322 | I | 88.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -98.2 | -9.8 | 174.3 | 67.6 | 178.1 | 0 | 0 | 0 | 113 | Y273 I294 E296 I301 L312 F316 F325 | Y273-I322 HydrophobicContact CD1-CG2 3.7Å; Y273-I322 HydrophobicContact CE1-CG2 4.33Å; Y273-I322 HydrophobicContact CG-CG2 4.02Å; I294-I322 HydrophobicContact CB-CD1 4.07Å; I294-I322 HydrophobicContact CG2-CD1 3.52Å; E296-I322 HydrophobicContact CB-CD1 3.9Å; E296-I322 HydrophobicContact CB-CG1 4.31Å; E296-I322 HydrophobicContact CG-CD1 4.21Å; I301-I322 HydrophobicContact CD1-CB 4.1Å; I301-I322 HydrophobicContact CG1-CD1 4.2Å; I301-I322 WeakPolarHBondContact CG2-O 3.08Å; L312-I322 HydrophobicContact CD1-CB 4.2Å; L312-I322 HydrophobicContact CD1-CG2 4.05Å; F316-I322 HydrophobicContact CD2-CG2 3.61Å; F316-I322 HydrophobicContact CE2-CG2 4.14Å; I322-F325 WeakPolarHBondContact O-CB 3.43Å; I322-F325 PolarHBondContact O-N 3.08Å |
| 323 | V | 88.3 | Confident | 89 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 143.8 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | N298 Y315 T321 F325 | N298-V323 WeakPolarHBondContact ND2-CG2 3.31Å; Y315-V323 WeakPolarHBondContact CE1-O 3.3Å; Y315-V323 PolarHBondContact OH-O 3.05Å; T321-V323 HydrophobicContact CG2-CB 4.25Å; T321-V323 PolarHBondContact OG1-N 3.28Å; V323-F325 PolarHBondContact O-N 3.16Å |
| 324 | D | 89.6 | Confident | 88.9 | Confident | 128 Ų | 128 | 69.9 Ų | 69.9 | 68% | 0.684 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 28.6 | -175.7 | -54 | -34.4 | 0 | 0 | 0 | 114.9 | Y315 P326 | Y315-D324 PolarHBondContact OH-O 3.45Å; D324-P326 WeakPolarHBondContact O-CD 3.46Å |
| 325 | F | 91.6 | Very high | 88.3 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | trans | -67.4 | 120.2 | 170.7 | 178 | -116.1 | 0 | 0 | 0 | 111.1 | I301 I307 L312 Y315 I322 V323 D327 A328 | I301-F325 HydrophobicContact CD1-CB 4.16Å; I301-F325 HydrophobicContact CD1-CD1 4.11Å; I301-F325 HydrophobicContact CD1-CG 4.48Å; I307-F325 HydrophobicContact CG2-CD1 4.38Å; I307-F325 HydrophobicContact CG2-CE1 3.89Å; L312-F325 HydrophobicContact CB-CE1 4.1Å; L312-F325 HydrophobicContact CB-CE2 4.18Å; L312-F325 HydrophobicContact CB-CZ 3.91Å; L312-F325 HydrophobicContact CD1-CB 4.06Å; L312-F325 HydrophobicContact CD1-CD1 3.82Å; L312-F325 HydrophobicContact CD1-CD2 3.85Å; L312-F325 HydrophobicContact CD1-CE1 4.22Å; L312-F325 HydrophobicContact CD1-CE2 4.27Å; L312-F325 HydrophobicContact CD1-CG 3.61Å; L312-F325 HydrophobicContact CD1-CZ 4.45Å; Y315-F325 HydrophobicContact CD1-CB 4.33Å; Y315-F325 AromaticContact CD1-CD2 3.99Å; Y315-F325 HydrophobicContact CD1-CD2 3.99Å; Y315-F325 AromaticContact CD2-CD2 3.88Å; Y315-F325 HydrophobicContact CD2-CD2 3.88Å; Y315-F325 HydrophobicContact CE1-CB 4.3Å; Y315-F325 HydrophobicContact CE2-CD2 4.5Å; Y315-F325 AromaticContact CG-CD2 3.59Å; Y315-F325 HydrophobicContact CG-CD2 3.59Å; Y315-F325 HydrophobicContact CG-CE2 4.26Å; I322-F325 WeakPolarHBondContact O-CB 3.43Å; I322-F325 PolarHBondContact O-N 3.08Å; V323-F325 PolarHBondContact O-N 3.16Å; F325-D327 HydrophobicContact CD1-CB 4.41Å; F325-D327 HydrophobicContact CE1-CB 3.69Å; F325-D327 HydrophobicContact CZ-CB 4.03Å; F325-D327 PolarHBondContact O-N 3.33Å; F325-A328 HydrophobicContact CD1-CB 4.11Å; F325-A328 PolarHBondContact O-N 3.26Å; F325-A328 VanDerWaalsContact O-O 3.09Å | ||
| 326 | P | 88.2 | Confident | 87.9 | Confident | 102 Ų | 102 | 75 Ų | 75 | 66% | 0.662 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.7 | -166.6 | -29.2 | 36.5 | 0 | 0 | 0 | 116.7 | D324 A328 | D324-P326 WeakPolarHBondContact O-CD 3.46Å; P326-A328 PolarHBondContact O-N 2.95Å |
| 327 | D | 87.2 | Confident | 87.7 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 16.6 | -177.2 | -56.3 | -45.1 | 0 | 0 | 0 | 113.2 | N303 F325 | N303-D327 PolarHBondContact ND2-O 3.42Å; F325-D327 HydrophobicContact CD1-CB 4.41Å; F325-D327 HydrophobicContact CE1-CB 3.69Å; F325-D327 HydrophobicContact CZ-CB 4.03Å; F325-D327 PolarHBondContact O-N 3.33Å |
| 328 | A | 90.6 | Very high | 87.2 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -146.3 | 151 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I301 N303 I307 F325 P326 | I301-A328 HydrophobicContact CB-CB 3.82Å; I301-A328 HydrophobicContact CD1-CB 4.19Å; I301-A328 HydrophobicContact CG1-CB 4.39Å; N303-A328 HydrophobicContact CB-CB 4.31Å; I307-A328 HydrophobicContact CD1-CB 4.44Å; I307-A328 HydrophobicContact CG1-CB 4.38Å; F325-A328 HydrophobicContact CD1-CB 4.11Å; F325-A328 PolarHBondContact O-N 3.26Å; F325-A328 VanDerWaalsContact O-O 3.09Å; P326-A328 PolarHBondContact O-N 2.95Å |
| 329 | V | 92.7 | Very high | 86.8 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 56% | 0.564 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 141.2 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | I301 F302 | I301-V329 CarbonylContact C-O 3.39Å; I301-V329 WeakPolarHBondContact CA-O 3.27Å; F302-V329 HydrophobicContact CB-CG2 4.4Å; F302-V329 HydrophobicContact CD1-CG2 4.48Å; F302-V329 PolarHBondContact N-O 3.5Å; F302-V329 WeakPolarHBondContact O-CG2 3.3Å; F302-V329 PolarHBondContact O-N 3.17Å |
| 330 | A | 91.1 | Very high | 86.5 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 56% | 0.562 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 137.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | A300 | A300-A330 WeakPolarHBondContact O-CA 3.28Å |
| 331 | Y | 88.3 | Confident | 86.5 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | trans | -118.7 | 112.3 | -174.9 | -166.3 | -75.2 | 0 | 0 | 0 | 110.3 | A300 F302 R334 K336 L337 E340 | A300-Y331 PolarHBondContact O-N 2.93Å; F302-Y331 HydrophobicContact CB-CD2 3.8Å; F302-Y331 HydrophobicContact CB-CG 4.38Å; F302-Y331 HydrophobicContact CD1-CD2 4.11Å; F302-Y331 HydrophobicContact CD1-CE2 4.39Å; F302-Y331 AromaticContact CG-CD2 3.99Å; F302-Y331 HydrophobicContact CG-CD2 3.99Å; F302-Y331 HydrophobicContact CG-CE2 4.49Å; Y331-R334 VanDerWaalsContact O-CA 3.26Å; Y331-R334 WeakPolarHBondContact O-CA 3.43Å; Y331-R334 PolarHBondContact O-N 3.34Å; Y331-K336 HydrophobicContact CE1-CB 3.93Å; Y331-L337 HydrophobicContact CD1-CB 3.69Å; Y331-L337 HydrophobicContact CD1-CD1 4.37Å; Y331-L337 HydrophobicContact CD2-CD1 4.01Å; Y331-L337 HydrophobicContact CE1-CB 4.01Å; Y331-L337 HydrophobicContact CE2-CD1 4.22Å; Y331-L337 HydrophobicContact CG-CB 4.12Å; Y331-L337 HydrophobicContact CG-CD1 4.09Å; Y331-L337 HydrophobicContact CG-CG 4.49Å; Y331-E340 HydrophobicContact CE2-CG 3.85Å; Y331-E340 WeakPolarHBondContact OH-CG 3.33Å | ||
| 332 | E | 86.8 | Confident | 86.4 | Confident | 129 Ų | 129 | 65.7 Ų | 65.7 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -128.1 | 143.4 | -175.2 | -71 | -60.4 | 161 | 0 | 0 | 113.8 | R334 | E332-R334 PolarHBondContact OE2-N 2.88Š|
| 333 | P | 86.5 | Confident | 86.3 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | S | Bend | cis | -63.7 | 131.9 | -9.5 | 27 | -35 | 0 | 0 | 0 | 111.4 | E335 K336 | P333-E335 PolarHBondContact O-N 3.45Å; P333-K336 HydrophobicContact CG-CB 4.44Å; P333-K336 HydrophobicContact CG-CD 3.69Å; P333-K336 HydrophobicContact CG-CG 3.91Å; P333-K336 WeakPolarHBondContact O-CB 3.36Å; P333-K336 PolarHBondContact O-N 3.16Å |
| 334 | R | 85.4 | Confident | 86.3 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -48 | -33.3 | -174 | 64.9 | 174.6 | -169.2 | 119.2 | 15.6 | 114.5 | E296 Y297 A300 Y331 E332 K336 L337 | E296-R334 PolarHBondContact O-NH1 3.44Å; Y297-R334 PolarHBondContact O-NH1 3.42Å; A300-R334 HydrophobicContact CB-CB 3.65Å; Y331-R334 VanDerWaalsContact O-CA 3.26Å; Y331-R334 WeakPolarHBondContact O-CA 3.43Å; Y331-R334 PolarHBondContact O-N 3.34Å; E332-R334 PolarHBondContact OE2-N 2.88Å; R334-K336 PolarHBondContact O-N 2.89Å; R334-L337 PolarHBondContact O-N 3.4Å |
| 335 | E | 79.3 | Confident | 86 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -65.5 | -24.9 | 179.8 | -64 | 78.3 | -171.4 | 0 | 0 | 112.7 | P333 L337 M338 | P333-E335 PolarHBondContact O-N 3.45Å; E335-L337 VanDerWaalsContact C-N 3.29Å; E335-L337 PolarHBondContact O-N 2.98Å; E335-M338 HydrophobicContact CB-CE 4.1Å; E335-M338 WeakPolarHBondContact O-CB 3.39Å; E335-M338 VanDerWaalsContact O-CE 3.26Å; E335-M338 WeakPolarHBondContact O-CE 3.38Å; E335-M338 PolarHBondContact O-N 3.36Å |
| 336 | K | 83.7 | Confident | 85.6 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -74.6 | -13.4 | 177.3 | -76.4 | -177.8 | -169.2 | 172.1 | 0 | 113.9 | Y331 P333 R334 M338 C339 | Y331-K336 HydrophobicContact CE1-CB 3.93Å; P333-K336 HydrophobicContact CG-CB 4.44Å; P333-K336 HydrophobicContact CG-CD 3.69Å; P333-K336 HydrophobicContact CG-CG 3.91Å; P333-K336 WeakPolarHBondContact O-CB 3.36Å; P333-K336 PolarHBondContact O-N 3.16Å; R334-K336 PolarHBondContact O-N 2.89Å; K336-M338 PolarHBondContact O-N 3.14Å; K336-C339 WeakPolarHBondContact O-CB 3.43Å; K336-C339 PolarHBondContact O-N 3.22Å |
| 337 | L | 85.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -66.1 | -18.7 | 174.8 | -175.7 | 58 | 0 | 0 | 0 | 111.8 | I269 I295 A300 I301 F302 Y331 R334 E335 C339 E340 | I269-L337 HydrophobicContact CD1-CD1 4.25Å; I269-L337 HydrophobicContact CG2-CG 4.38Å; I295-L337 HydrophobicContact CD1-CB 3.79Å; I295-L337 HydrophobicContact CD1-CD2 4.47Å; I295-L337 HydrophobicContact CD1-CG 4.13Å; I295-L337 HydrophobicContact CG1-CB 3.89Å; I295-L337 HydrophobicContact CG1-CD2 3.75Å; I295-L337 HydrophobicContact CG1-CG 3.96Å; A300-L337 HydrophobicContact CB-CB 4.46Å; A300-L337 HydrophobicContact CB-CD2 3.86Å; I301-L337 VanDerWaalsContact O-CD2 3.29Å; I301-L337 WeakPolarHBondContact O-CD2 3.16Å; F302-L337 HydrophobicContact CB-CD1 4.1Å; F302-L337 HydrophobicContact CB-CD2 4.49Å; F302-L337 HydrophobicContact CD2-CD1 3.5Å; F302-L337 VanDerWaalsContact CD2-CD1 3.5Å; F302-L337 HydrophobicContact CE2-CD1 4.14Å; F302-L337 HydrophobicContact CG-CD1 4.06Å; Y331-L337 HydrophobicContact CD1-CB 3.69Å; Y331-L337 HydrophobicContact CD1-CD1 4.37Å; Y331-L337 HydrophobicContact CD2-CD1 4.01Å; Y331-L337 HydrophobicContact CE1-CB 4.01Å; Y331-L337 HydrophobicContact CE2-CD1 4.22Å; Y331-L337 HydrophobicContact CG-CB 4.12Å; Y331-L337 HydrophobicContact CG-CD1 4.09Å; Y331-L337 HydrophobicContact CG-CG 4.49Å; R334-L337 PolarHBondContact O-N 3.4Å; E335-L337 VanDerWaalsContact C-N 3.29Å; E335-L337 PolarHBondContact O-N 2.98Å; L337-C339 PolarHBondContact O-N 3.38Å; L337-E340 HydrophobicContact CD1-CB 3.92Å; L337-E340 HydrophobicContact CD1-CG 4.12Å; L337-E340 PolarHBondContact O-N 2.97Å |
| 338 | M | 76.8 | Confident | 82.4 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -64.8 | -8.8 | 169 | -73.8 | -171.2 | -71 | 0 | 0 | 114.6 | Q271 I295 E335 K336 A348 I350 | Q271-M338 PolarHBondContact NE2-SD 2.83Å; Q271-M338 VanDerWaalsContact NE2-SD 3.37Å; I295-M338 HydrophobicContact CD1-CB 4.45Å; I295-M338 HydrophobicContact CD1-CG 3.49Å; I295-M338 VanDerWaalsContact CD1-CG 3.49Å; E335-M338 HydrophobicContact CB-CE 4.1Å; E335-M338 WeakPolarHBondContact O-CB 3.39Å; E335-M338 VanDerWaalsContact O-CE 3.26Å; E335-M338 WeakPolarHBondContact O-CE 3.38Å; E335-M338 PolarHBondContact O-N 3.36Å; K336-M338 PolarHBondContact O-N 3.14Å; M338-A348 WeakPolarHBondContact CB-O 3.49Å; M338-A348 WeakPolarHBondContact CG-O 3.48Å; M338-A348 HydrophobicContact SD-CB 3.84Å; M338-I350 PolarHBondContact O-N 3.1Å; M338-I350 VanDerWaalsContact O-N 3.1Å |
| 339 | C | 79.7 | Confident | 79.8 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -113 | 6.6 | -177.5 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | K336 L337 I350 | K336-C339 WeakPolarHBondContact O-CB 3.43Å; K336-C339 PolarHBondContact O-N 3.22Å; L337-C339 PolarHBondContact O-N 3.38Å; C339-I350 HydrophobicContact CB-CD1 3.85Å; C339-I350 HydrophobicContact CB-CG1 4.23Å; C339-I350 VanDerWaalsContact SG-CD1 3.51Å |
| 340 | E | 84.5 | Confident | 77.3 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -90.7 | 104.3 | -175.4 | -101.9 | -65.3 | 149.1 | 0 | 0 | 112.5 | I269 F302 R304 Y331 L337 C342 | I269-E340 HydrophobicContact CD1-CB 4.03Å; I269-E340 WeakPolarHBondContact CD1-O 3.24Å; F302-E340 HydrophobicContact CE2-CB 4.19Å; F302-E340 HydrophobicContact CE2-CG 4.15Å; F302-E340 HydrophobicContact CZ-CG 4.19Å; F302-E340 WeakPolarHBondContact CZ-OE2 3.38Å; R304-E340 IonicContact NH1-OE2 2.74Å; R304-E340 PolarHBondContact NH1-OE2 3.04Å; Y331-E340 HydrophobicContact CE2-CG 3.85Å; Y331-E340 WeakPolarHBondContact OH-CG 3.33Å; L337-E340 HydrophobicContact CD1-CB 3.92Å; L337-E340 HydrophobicContact CD1-CG 4.12Å; L337-E340 PolarHBondContact O-N 2.97Å; E340-C342 PolarHBondContact O-N 2.89Å; E340-C342 VanDerWaalsContact O-N 3.15Å |
| 341 | K | 84.7 | Confident | 75.8 | Confident | 159 Ų | 159 | 50.6 Ų | 50.6 | 69% | 0.691 | 25% | 0.254 | S | S | * | . | trans | -35.9 | 113.1 | -171.7 | -174.9 | 178.5 | 178 | -179.9 | 0 | 114 | R304 E351 | R304-K341 VanDerWaalsContact CZ-O 3.26Å; R304-K341 PolarHBondContact NH1-O 3.16Å; R304-K341 PolarHBondContact NH2-O 3Å; K341-E351 WeakPolarHBondContact CA-OE1 3.39Å; K341-E351 WeakPolarHBondContact CA-OE2 3.32Å; K341-E351 PolarHBondContact N-OE1 3.03Å | ||
| 342 | C | 85.7 | Confident | 74.9 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | trans | -133.6 | -169 | 173.4 | 78.3 | 0 | 0 | 0 | 0 | 111.5 | T267 I269 I292 E340 L344 E351 | T267-C342 VanDerWaalsContact OG1-CA 3.3Å; T267-C342 WeakPolarHBondContact OG1-CA 3.19Å; I269-C342 HydrophobicContact CD1-CB 4.26Å; I269-C342 HydrophobicContact CG1-CB 4.22Å; I292-C342 HydrophobicContact CD1-CB 3.91Å; I292-C342 HydrophobicContact CG1-CB 4.45Å; E340-C342 PolarHBondContact O-N 2.89Å; E340-C342 VanDerWaalsContact O-N 3.15Å; C342-L344 VanDerWaalsContact SG-C 3.59Å; C342-L344 PolarHBondContact SG-O 3.06Å; C342-E351 VanDerWaalsContact N-CD 3.26Å; C342-E351 PolarHBondContact N-OE2 3.5Å; C342-E351 VanDerWaalsContact O-OE2 3.12Å | ||
| 343 | D | 87.4 | Confident | 74.2 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -101 | -34 | 174.3 | -64.5 | -90.5 | 0 | 0 | 0 | 112.2 | M259 K266 T267 I353 | M259-D343 HydrophobicContact CE-CB 3.63Å; M259-D343 VanDerWaalsContact CE-OD1 3.23Å; M259-D343 WeakPolarHBondContact CE-OD1 3.28Å; K266-D343 HydrophobicContact CB-CB 3.75Å; K266-D343 HydrophobicContact CD-CB 4.26Å; K266-D343 HydrophobicContact CG-CB 4.09Å; T267-D343 PolarHBondContact N-OD2 3.04Å; T267-D343 WeakPolarHBondContact O-CA 3.37Å; T267-D343 WeakPolarHBondContact O-CB 3.46Å; T267-D343 PolarHBondContact O-N 3.19Å; T267-D343 PolarHBondContact OG1-N 3.05Å; T267-D343 VanDerWaalsContact OG1-N 3.16Å; T267-D343 PolarHBondContact OG1-OD2 2.94Å; D343-I353 WeakPolarHBondContact O-CB 3.49Å |
| 344 | L | 86.5 | Confident | 73.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 113.6 | -171.7 | -67.7 | 164.5 | 0 | 0 | 0 | 110.9 | L248 K266 T267 F268 I269 F284 C342 I353 V355 | L248-L344 HydrophobicContact CD1-CD1 4.08Å; L248-L344 HydrophobicContact CD1-CD2 3.92Å; L248-L344 HydrophobicContact CD2-CD2 4.01Å; K266-L344 HydrophobicContact CB-CD1 3.99Å; K266-L344 HydrophobicContact CD-CD1 4.15Å; K266-L344 HydrophobicContact CD-CG 4.42Å; T267-L344 PolarHBondContact O-N 3.14Å; F268-L344 WeakPolarHBondContact CA-O 3.15Å; F268-L344 HydrophobicContact CB-CB 3.8Å; F268-L344 WeakPolarHBondContact CB-O 3.33Å; I269-L344 PolarHBondContact N-O 3.03Å; I269-L344 VanDerWaalsContact N-O 3.12Å; F284-L344 HydrophobicContact CD1-CD1 4.18Å; F284-L344 HydrophobicContact CE1-CD1 3.93Å; C342-L344 VanDerWaalsContact SG-C 3.59Å; C342-L344 PolarHBondContact SG-O 3.06Å; L344-I353 HydrophobicContact CD2-CB 3.98Å; L344-I353 HydrophobicContact CD2-CD1 4.06Å; L344-I353 HydrophobicContact CD2-CG2 3.87Å; L344-V355 HydrophobicContact CD2-CG2 4.37Å |
| 345 | L | 83.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.4 | 179.3 | -176.3 | 64.5 | 0 | 0 | 0 | 111.6 | I269 A348 E351 I353 I354 V355 | I269-L345 HydrophobicContact CB-CD1 3.71Å; I269-L345 HydrophobicContact CG2-CD1 3.8Å; L345-A348 VanDerWaalsContact CD2-C 3.48Å; L345-A348 WeakPolarHBondContact CD2-O 3.48Å; L345-E351 HydrophobicContact CB-CB 3.82Å; L345-E351 HydrophobicContact CB-CG 3.89Å; L345-E351 HydrophobicContact CD2-CB 4.03Å; L345-E351 HydrophobicContact CD2-CG 3.73Å; L345-E351 HydrophobicContact CG-CG 4.29Å; L345-I353 PolarHBondContact N-O 2.77Å; L345-I354 HydrophobicContact CB-CG1 4.33Å; L345-I354 HydrophobicContact CD2-CG1 4.37Å; L345-I354 CarbonylContact O-C 3.6Å; L345-I354 VanDerWaalsContact O-CA 3.29Å; L345-I354 WeakPolarHBondContact O-CA 3.21Å; L345-V355 PolarHBondContact O-N 3.09Å |
| 346 | I | 84.3 | Confident | 73.6 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 98.7 | -172.7 | -45.7 | -171.1 | 0 | 0 | 0 | 110.9 | I269 V270 Q271 T280 F284 V355 A357 | I269-I346 PolarHBondContact O-N 3.45Å; V270-I346 HydrophobicContact CG2-CB 4.44Å; V270-I346 HydrophobicContact CG2-CD1 4.35Å; Q271-I346 PolarHBondContact N-O 3.1Å; T280-I346 HydrophobicContact CG2-CD1 3.71Å; F284-I346 HydrophobicContact CD2-CD1 4.23Å; F284-I346 HydrophobicContact CE2-CD1 4.08Å; I346-V355 HydrophobicContact CG1-CB 4.22Å; I346-V355 WeakPolarHBondContact CG2-O 3.11Å; I346-A357 HydrophobicContact CG2-CB 3.51Å |
| 347 | P | 63.8 | Low | 73.1 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | S | Bend | -58.6 | -166.9 | -82.4 | 37.5 | -39.4 | 0 | 0 | 0 | 112.9 | Q271 I354 P361 | Q271-P347 WeakPolarHBondContact CB-O 3.21Å; P347-I354 HydrophobicContact CB-CG2 4.36Å; P347-P361 HydrophobicContact CB-CB 4.02Å; P347-P361 HydrophobicContact CB-CG 4.1Å; P347-P361 HydrophobicContact CG-CB 3.66Å; P347-P361 HydrophobicContact CG-CG 3.94Å | |
| 348 | A | 44 | Very low | 72.4 | Confident | 24 Ų | 24 | 32 Ų | 32 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | S | Bend | cis | -124.3 | 175.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | M338 L345 | M338-A348 WeakPolarHBondContact CB-O 3.49Å; M338-A348 WeakPolarHBondContact CG-O 3.48Å; M338-A348 HydrophobicContact SD-CB 3.84Å; L345-A348 VanDerWaalsContact CD2-C 3.48Å; L345-A348 WeakPolarHBondContact CD2-O 3.48Å |
| 349 | A | 37 | Very low | 72.3 | Confident | 37 Ų | 37 | 33.5 Ų | 33.5 | 31% | 0.306 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -98.2 | 133.1 | -130.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | I354 L370 | A349-I354 HydrophobicContact CB-CD1 3.38Å; A349-I354 HydrophobicContact CB-CG1 4.48Å; A349-L370 HydrophobicContact CB-CD1 3.96Å; A349-L370 HydrophobicContact CB-CD2 3.58Å; A349-L370 HydrophobicContact CB-CG 4.35Å |
| 350 | I | 39.9 | Very low | 72 | Confident | 87 Ų | 87 | 31.2 Ų | 31.2 | 45% | 0.446 | 18% | 0.175 | S | C | . | . | S | Bend | -145.5 | 56.1 | 122.1 | -40.9 | -178.6 | 0 | 0 | 0 | 113.3 | M338 C339 | M338-I350 PolarHBondContact O-N 3.1Å; M338-I350 VanDerWaalsContact O-N 3.1Å; C339-I350 HydrophobicContact CB-CD1 3.85Å; C339-I350 HydrophobicContact CB-CG1 4.23Å; C339-I350 VanDerWaalsContact SG-CD1 3.51Å | |
| 351 | E | 59.9 | Low | 71.4 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -129.8 | 165.9 | -173.3 | -63.5 | -57.7 | 152.1 | 0 | 0 | 115.8 | K341 C342 L345 I353 V375 | K341-E351 WeakPolarHBondContact CA-OE1 3.39Å; K341-E351 WeakPolarHBondContact CA-OE2 3.32Å; K341-E351 PolarHBondContact N-OE1 3.03Å; C342-E351 VanDerWaalsContact N-CD 3.26Å; C342-E351 PolarHBondContact N-OE2 3.5Å; C342-E351 VanDerWaalsContact O-OE2 3.12Å; L345-E351 HydrophobicContact CB-CB 3.82Å; L345-E351 HydrophobicContact CB-CG 3.89Å; L345-E351 HydrophobicContact CD2-CB 4.03Å; L345-E351 HydrophobicContact CD2-CG 3.73Å; L345-E351 HydrophobicContact CG-CG 4.29Å; E351-I353 PolarHBondContact O-N 2.89Å; E351-V375 WeakPolarHBondContact O-CG1 3.43Å; E351-V375 WeakPolarHBondContact O-CG2 3.45Å |
| 352 | K | 67.4 | Low | 71.1 | Confident | 76 Ų | 76 | 23.8 Ų | 23.8 | 33% | 0.33 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -63.2 | -36.2 | -177.1 | -80.9 | -156.1 | 173.9 | -155.2 | 0 | 114.2 | I257 D258 M259 V375 L376 | I257-K352 PolarHBondContact O-NZ 3.28Å; D258-K352 PolarHBondContact O-NZ 3.13Å; D258-K352 IonicContact OD2-NZ 2.71Å; D258-K352 PolarHBondContact OD2-NZ 3.14Å; M259-K352 HydrophobicContact CE-CB 4.2Å; M259-K352 HydrophobicContact CE-CD 4.24Å; M259-K352 HydrophobicContact CG-CD 3.62Å; M259-K352 HydrophobicContact SD-CB 3.67Å; M259-K352 HydrophobicContact SD-CD 3.67Å; M259-K352 HydrophobicContact SD-CG 4.32Å; K352-V375 WeakPolarHBondContact O-CA 3.15Å; K352-L376 PolarHBondContact O-N 2.81Å |
| 353 | I | 73.2 | Confident | 71 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.7 | 176.7 | -52.4 | -179.5 | 0 | 0 | 0 | 109 | L248 M254 I257 M259 D343 L344 L345 E351 V355 L376 I378 | L248-I353 HydrophobicContact CD2-CD1 3.36Å; M254-I353 HydrophobicContact CE-CD1 3.94Å; M254-I353 HydrophobicContact SD-CD1 4.03Å; I257-I353 HydrophobicContact CD1-CD1 3.71Å; I257-I353 HydrophobicContact CD1-CG1 3.57Å; M259-I353 HydrophobicContact CE-CD1 4.24Å; M259-I353 HydrophobicContact CE-CG1 4.46Å; M259-I353 HydrophobicContact SD-CD1 3.6Å; M259-I353 VanDerWaalsContact SD-CD1 3.6Å; M259-I353 HydrophobicContact SD-CG1 3.67Å; D343-I353 WeakPolarHBondContact O-CB 3.49Å; L344-I353 HydrophobicContact CD2-CB 3.98Å; L344-I353 HydrophobicContact CD2-CD1 4.06Å; L344-I353 HydrophobicContact CD2-CG2 3.87Å; L345-I353 PolarHBondContact N-O 2.77Å; E351-I353 PolarHBondContact O-N 2.89Å; I353-V355 HydrophobicContact CG2-CG2 4.37Å; I353-L376 CarbonylContact C-O 3.55Å; I353-L376 WeakPolarHBondContact CA-O 3.14Å; I353-L376 HydrophobicContact CG1-CB 4.27Å; I353-L376 HydrophobicContact CG2-CB 4.38Å; I353-L376 HydrophobicContact CG2-CD2 4.41Å; I353-I378 HydrophobicContact CG2-CD1 3.95Å; I353-I378 HydrophobicContact CG2-CG1 4.42Å |
| 354 | I | 77.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.9 | 174.7 | -57.3 | 160.6 | 0 | 0 | 0 | 109.8 | L345 P347 A349 I362 L370 V375 L376 I378 | L345-I354 HydrophobicContact CB-CG1 4.33Å; L345-I354 HydrophobicContact CD2-CG1 4.37Å; L345-I354 CarbonylContact O-C 3.6Å; L345-I354 VanDerWaalsContact O-CA 3.29Å; L345-I354 WeakPolarHBondContact O-CA 3.21Å; P347-I354 HydrophobicContact CB-CG2 4.36Å; A349-I354 HydrophobicContact CB-CD1 3.38Å; A349-I354 HydrophobicContact CB-CG1 4.48Å; I354-I362 HydrophobicContact CD1-CD1 4.48Å; I354-I362 HydrophobicContact CG2-CD1 3.93Å; I354-L370 HydrophobicContact CD1-CD1 3.7Å; I354-L370 HydrophobicContact CD1-CD2 3.84Å; I354-L370 HydrophobicContact CD1-CG 4.36Å; I354-V375 HydrophobicContact CD1-CG1 3.65Å; I354-V375 HydrophobicContact CG1-CG1 3.96Å; I354-L376 PolarHBondContact N-O 3.35Å; I354-I378 PolarHBondContact O-N 3.5Å |
| 355 | V | 79.3 | Confident | 70.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114 | -177.4 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | V240 T244 L344 L345 I346 I353 A357 I378 V383 | V240-V355 HydrophobicContact CG1-CG1 3.51Å; T244-V355 HydrophobicContact CG2-CG2 4.06Å; T244-V355 WeakPolarHBondContact OG1-CG1 3.29Å; L344-V355 HydrophobicContact CD2-CG2 4.37Å; L345-V355 PolarHBondContact O-N 3.09Å; I346-V355 HydrophobicContact CG1-CB 4.22Å; I346-V355 WeakPolarHBondContact CG2-O 3.11Å; I353-V355 HydrophobicContact CG2-CG2 4.37Å; V355-A357 PolarHBondContact O-N 3.08Å; V355-I378 HydrophobicContact CG1-CG2 4.38Å; V355-I378 HydrophobicContact CG2-CD1 4.34Å; V355-V383 HydrophobicContact CG1-CG2 4.12Å |
| 356 | E | 80.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -84.4 | 80.3 | -175.4 | -58.1 | -175.6 | 131.9 | 0 | 0 | 111.8 | A358 P361 I362 I377 I378 P379 D380 R504 | E356-A358 PolarHBondContact O-N 3.47Å; E356-P361 HydrophobicContact CB-CG 3.78Å; E356-P361 HydrophobicContact CG-CG 3.67Å; E356-I362 HydrophobicContact CG-CD1 4.14Å; E356-I362 WeakPolarHBondContact OE1-CB 3.22Å; E356-I362 WeakPolarHBondContact OE1-CD1 3.42Å; E356-I362 WeakPolarHBondContact OE1-CG1 3.16Å; E356-I377 HydrophobicContact CG-CG2 4.34Å; E356-I378 PolarHBondContact N-O 2.82Å; E356-P379 WeakPolarHBondContact OE2-CA 3.33Å; E356-D380 HydrophobicContact CB-CB 3.7Å; E356-D380 WeakPolarHBondContact O-CA 3.46Å; E356-D380 PolarHBondContact OE2-N 3.41Å; E356-R504 VanDerWaalsContact CD-NH2 3.33Å; E356-R504 IonicContact OE1-CZ 2.82Å; E356-R504 IonicContact OE1-NH1 2.66Å; E356-R504 PolarHBondContact OE1-NH1 2.67Å; E356-R504 IonicContact OE1-NH2 3.74Å; E356-R504 PolarHBondContact OE1-NH2 2.98Å; E356-R504 IonicContact OE2-CZ 3.21Å; E356-R504 IonicContact OE2-NH1 3.17Å; E356-R504 PolarHBondContact OE2-NH1 2.68Å; E356-R504 IonicContact OE2-NH2 3Å; E356-R504 PolarHBondContact OE2-NH2 3.23Å | ||
| 357 | A | 74.7 | Confident | 70.5 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | trans | -68.5 | -18 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V240 V276 I346 V355 N384 | V240-A357 HydrophobicContact CG1-CB 4.24Å; V240-A357 HydrophobicContact CG2-CB 3.94Å; V276-A357 HydrophobicContact CG1-CB 4.06Å; I346-A357 HydrophobicContact CG2-CB 3.51Å; V355-A357 PolarHBondContact O-N 3.08Å; A357-N384 PolarHBondContact O-ND2 3.24Å | ||
| 358 | A | 70.5 | Confident | 71.5 | Confident | 49 Ų | 49 | 26.5 Ų | 26.5 | 41% | 0.405 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -104.3 | 164.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E356 P361 D380 | E356-A358 PolarHBondContact O-N 3.47Å; A358-P361 WeakPolarHBondContact O-CD 3.33Å; A358-D380 WeakPolarHBondContact O-CB 3.37Å |
| 359 | N | 73.9 | Confident | 73.4 | Confident | 69 Ų | 69 | 29.5 Ų | 29.5 | 37% | 0.369 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -76.4 | 125.9 | 177.6 | -70.6 | -33.5 | 0 | 0 | 0 | 111 | L131 K135 D380 N384 | L131-N359 HydrophobicContact CD2-CB 4.16Å; K135-N359 PolarHBondContact NZ-OD1 3.17Å; N359-D380 WeakPolarHBondContact CA-OD2 3.47Å; N359-N384 PolarHBondContact N-ND2 2.98Å; N359-N384 PolarHBondContact OD1-ND2 3.21Å |
| 360 | G | 73.4 | Confident | 75.7 | Confident | 19 Ų | 19 | 28.2 Ų | 28.2 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 41.4 | 56.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | Y29 I362 D380 | Y29-G360 PolarHBondContact OH-N 2.81Å; G360-I362 VanDerWaalsContact C-N 3.31Å; G360-I362 PolarHBondContact O-N 3.32Å; G360-D380 PolarHBondContact N-OD2 3.21Å |
| 361 | P | 72 | Confident | 77.7 | Confident | 43 Ų | 43 | 27.5 Ų | 27.5 | 28% | 0.279 | 16% | 0.158 | S | C | . | . | trans | -79.7 | -2.4 | 178.8 | 34.5 | -37.7 | 0 | 0 | 0 | 115.1 | P347 E356 A358 | P347-P361 HydrophobicContact CB-CB 4.02Å; P347-P361 HydrophobicContact CB-CG 4.1Å; P347-P361 HydrophobicContact CG-CB 3.66Å; P347-P361 HydrophobicContact CG-CG 3.94Å; E356-P361 HydrophobicContact CB-CG 3.78Å; E356-P361 HydrophobicContact CG-CG 3.67Å; A358-P361 WeakPolarHBondContact O-CD 3.33Å | ||
| 362 | I | 78.6 | Confident | 78.9 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -125.3 | 123.2 | -179.9 | -56.1 | 174.1 | 0 | 0 | 0 | 109.4 | I354 E356 G360 D367 L370 I377 | I354-I362 HydrophobicContact CD1-CD1 4.48Å; I354-I362 HydrophobicContact CG2-CD1 3.93Å; E356-I362 HydrophobicContact CG-CD1 4.14Å; E356-I362 WeakPolarHBondContact OE1-CB 3.22Å; E356-I362 WeakPolarHBondContact OE1-CD1 3.42Å; E356-I362 WeakPolarHBondContact OE1-CG1 3.16Å; G360-I362 VanDerWaalsContact C-N 3.31Å; G360-I362 PolarHBondContact O-N 3.32Å; I362-D367 HydrophobicContact CG2-CB 4.11Å; I362-L370 HydrophobicContact CD1-CD1 4.06Å; I362-L370 HydrophobicContact CG2-CD1 3.97Å; I362-I377 HydrophobicContact CD1-CD1 4.21Å; I362-I377 HydrophobicContact CD1-CG1 4.38Å; I362-I377 HydrophobicContact CD1-CG2 3.97Å |
| 363 | T | 82.8 | Confident | 79.6 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | trans | -71.7 | 158.9 | 176.5 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | P27 M32 A365 G366 D367 | P27-T363 HydrophobicContact CG-CG2 4.33Å; M32-T363 HydrophobicContact SD-CG2 4.2Å; T363-A365 PolarHBondContact O-N 2.99Å; T363-G366 WeakPolarHBondContact O-CA 3.32Å; T363-G366 PolarHBondContact O-N 2.94Å; T363-G366 PolarHBondContact OG1-N 3.42Å; T363-D367 WeakPolarHBondContact O-CB 3.49Å; T363-D367 PolarHBondContact O-N 2.62Å | ||
| 364 | P | 82.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.6 | -33.1 | 175.9 | -27.6 | 36 | 0 | 0 | 0 | 114.1 | I21 M32 F36 K368 | I21-P364 HydrophobicContact CD1-CG 4.07Å; I21-P364 HydrophobicContact CG1-CG 4.21Å; M32-P364 HydrophobicContact CG-CG 4.13Å; F36-P364 HydrophobicContact CE2-CG 4.15Å; F36-P364 HydrophobicContact CZ-CB 4.37Å; F36-P364 HydrophobicContact CZ-CG 4.31Å; P364-K368 WeakPolarHBondContact O-CB 3.45Å; P364-K368 PolarHBondContact O-N 3.13Å; P364-K368 VanDerWaalsContact O-N 3.13Å |
| 365 | A | 82.7 | Confident | 80.3 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | E22 T363 D367 K368 I369 | E22-A365 WeakPolarHBondContact O-CA 3.42Å; E22-A365 WeakPolarHBondContact O-CB 3.49Å; T363-A365 PolarHBondContact O-N 2.99Å; A365-D367 PolarHBondContact O-N 2.92Å; A365-K368 WeakPolarHBondContact O-CB 3.38Å; A365-K368 PolarHBondContact O-N 3.16Å; A365-I369 WeakPolarHBondContact O-CG1 3.36Å; A365-I369 PolarHBondContact O-N 2.68Å |
| 366 | G | 82.5 | Confident | 80.6 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T363 K368 I369 L370 | T363-G366 WeakPolarHBondContact O-CA 3.32Å; T363-G366 PolarHBondContact O-N 2.94Å; T363-G366 PolarHBondContact OG1-N 3.42Å; G366-K368 VanDerWaalsContact C-N 3.31Å; G366-K368 PolarHBondContact O-N 3.34Å; G366-I369 PolarHBondContact O-N 3.04Å; G366-I369 VanDerWaalsContact O-N 3.11Å; G366-L370 WeakPolarHBondContact O-CB 3.44Å; G366-L370 VanDerWaalsContact O-CG 3.23Å; G366-L370 WeakPolarHBondContact O-CG 3.25Å; G366-L370 PolarHBondContact O-N 3.03Å |
| 367 | D | 83.9 | Confident | 81 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.5 | -40.9 | 177.1 | -179.1 | 99.7 | 0 | 0 | 0 | 112.3 | F36 I362 T363 A365 R371 I377 R504 | F36-D367 HydrophobicContact CZ-CB 4.35Å; I362-D367 HydrophobicContact CG2-CB 4.11Å; T363-D367 WeakPolarHBondContact O-CB 3.49Å; T363-D367 PolarHBondContact O-N 2.62Å; A365-D367 PolarHBondContact O-N 2.92Å; D367-R371 WeakPolarHBondContact O-CB 3.21Å; D367-R371 WeakPolarHBondContact O-CG 3.1Å; D367-R371 PolarHBondContact O-N 2.99Å; D367-R371 PolarHBondContact O-NE 2.87Å; D367-R371 IonicContact OD2-CZ 2.87Å; D367-R371 IonicContact OD2-NE 3.83Å; D367-R371 PolarHBondContact OD2-NE 2.65Å; D367-R371 IonicContact OD2-NH2 2.74Å; D367-R371 PolarHBondContact OD2-NH2 3.07Å; D367-I377 HydrophobicContact CB-CD1 4.32Å; D367-I377 WeakPolarHBondContact OD1-CD1 3.45Å; D367-R504 IonicContact OD1-CZ 2.85Å; D367-R504 IonicContact OD1-NE 3.56Å; D367-R504 PolarHBondContact OD1-NE 3.2Å; D367-R504 IonicContact OD1-NH2 2.91Å; D367-R504 PolarHBondContact OD1-NH2 2.88Å |
| 368 | K | 84.3 | Confident | 81.6 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -38.8 | 174.2 | 176 | 174.9 | 173.4 | 179.6 | 0 | 112.7 | E22 E23 P364 A365 G366 K372 | E22-K368 HydrophobicContact CB-CD 3.65Å; E22-K368 HydrophobicContact CG-CD 4.26Å; E22-K368 WeakPolarHBondContact OE2-CD 3.33Å; E22-K368 VanDerWaalsContact OE2-CE 3.3Å; E22-K368 WeakPolarHBondContact OE2-CE 3.4Å; E22-K368 IonicContact OE2-NZ 2.83Å; E22-K368 PolarHBondContact OE2-NZ 2.97Å; E23-K368 IonicContact OE1-NZ 2.7Å; E23-K368 PolarHBondContact OE1-NZ 3.07Å; P364-K368 WeakPolarHBondContact O-CB 3.45Å; P364-K368 PolarHBondContact O-N 3.13Å; P364-K368 VanDerWaalsContact O-N 3.13Å; A365-K368 WeakPolarHBondContact O-CB 3.38Å; A365-K368 PolarHBondContact O-N 3.16Å; G366-K368 VanDerWaalsContact C-N 3.31Å; G366-K368 PolarHBondContact O-N 3.34Å; K368-K372 WeakPolarHBondContact O-CG 3.4Å; K368-K372 PolarHBondContact O-N 2.91Å |
| 369 | I | 85 | Confident | 82.5 | Confident | 88 Ų | 88 | 42.9 Ų | 42.9 | 45% | 0.451 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70 | -42.9 | 176.6 | -67.1 | 166.3 | 0 | 0 | 0 | 111 | A365 G366 K372 R373 | A365-I369 WeakPolarHBondContact O-CG1 3.36Å; A365-I369 PolarHBondContact O-N 2.68Å; G366-I369 PolarHBondContact O-N 3.04Å; G366-I369 VanDerWaalsContact O-N 3.11Å; I369-K372 WeakPolarHBondContact O-CB 3.24Å; I369-K372 PolarHBondContact O-N 2.79Å; I369-R373 PolarHBondContact O-N 3.47Å |
| 370 | L | 84.6 | Confident | 83 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -44.9 | -178.5 | -70.7 | 167.5 | 0 | 0 | 0 | 112.1 | A349 I354 I362 G366 K372 R373 Q374 V375 I377 | A349-L370 HydrophobicContact CB-CD1 3.96Å; A349-L370 HydrophobicContact CB-CD2 3.58Å; A349-L370 HydrophobicContact CB-CG 4.35Å; I354-L370 HydrophobicContact CD1-CD1 3.7Å; I354-L370 HydrophobicContact CD1-CD2 3.84Å; I354-L370 HydrophobicContact CD1-CG 4.36Å; I362-L370 HydrophobicContact CD1-CD1 4.06Å; I362-L370 HydrophobicContact CG2-CD1 3.97Å; G366-L370 WeakPolarHBondContact O-CB 3.44Å; G366-L370 VanDerWaalsContact O-CG 3.23Å; G366-L370 WeakPolarHBondContact O-CG 3.25Å; G366-L370 PolarHBondContact O-N 3.03Å; L370-K372 VanDerWaalsContact C-N 3.28Å; L370-K372 PolarHBondContact O-N 2.93Å; L370-R373 CarbonylContact O-C 3.58Å; L370-R373 WeakPolarHBondContact O-CA 3.4Å; L370-R373 PolarHBondContact O-N 3.32Å; L370-Q374 PolarHBondContact O-N 2.86Å; L370-V375 HydrophobicContact CB-CB 4.08Å; L370-V375 HydrophobicContact CB-CG1 4.41Å; L370-V375 HydrophobicContact CD2-CB 4.2Å; L370-V375 HydrophobicContact CD2-CG1 4.2Å; L370-V375 HydrophobicContact CD2-CG2 4.02Å; L370-V375 WeakPolarHBondContact O-CB 3.47Å; L370-V375 PolarHBondContact O-N 3.48Å; L370-I377 HydrophobicContact CB-CD1 3.97Å; L370-I377 HydrophobicContact CB-CG1 4.49Å; L370-I377 HydrophobicContact CD1-CD1 4.03Å |
| 371 | R | 82.4 | Confident | 83.6 | Confident | 72 Ų | 72 | 38.9 Ų | 38.9 | 27% | 0.272 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.7 | -34 | 173.8 | -73.8 | -174.2 | -72.7 | 106.9 | 2 | 112.8 | D367 R373 Q374 | D367-R371 WeakPolarHBondContact O-CB 3.21Å; D367-R371 WeakPolarHBondContact O-CG 3.1Å; D367-R371 PolarHBondContact O-N 2.99Å; D367-R371 PolarHBondContact O-NE 2.87Å; D367-R371 IonicContact OD2-CZ 2.87Å; D367-R371 IonicContact OD2-NE 3.83Å; D367-R371 PolarHBondContact OD2-NE 2.65Å; D367-R371 IonicContact OD2-NH2 2.74Å; D367-R371 PolarHBondContact OD2-NH2 3.07Å; R371-R373 VanDerWaalsContact C-N 3.28Å; R371-R373 PolarHBondContact O-N 3.27Å; R371-Q374 PolarHBondContact O-N 2.98Å |
| 372 | K | 83.9 | Confident | 84.5 | Confident | 168 Ų | 168 | 36.8 Ų | 36.8 | 73% | 0.73 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -64.5 | -29.1 | 171.3 | -78.4 | 178.2 | 177 | -175 | 0 | 113.2 | K368 I369 L370 Q374 | K368-K372 WeakPolarHBondContact O-CG 3.4Å; K368-K372 PolarHBondContact O-N 2.91Å; I369-K372 WeakPolarHBondContact O-CB 3.24Å; I369-K372 PolarHBondContact O-N 2.79Å; L370-K372 VanDerWaalsContact C-N 3.28Å; L370-K372 PolarHBondContact O-N 2.93Å; K372-Q374 VanDerWaalsContact C-N 3.28Å |
| 373 | R | 83.5 | Confident | 84.9 | Confident | 151 Ų | 151 | 36.2 Ų | 36.2 | 57% | 0.57 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 10.8 | 175.2 | -67.1 | 179.1 | 180 | 178.3 | 0.8 | 113.4 | I369 L370 R371 V375 | I369-R373 PolarHBondContact O-N 3.47Å; L370-R373 CarbonylContact O-C 3.58Å; L370-R373 WeakPolarHBondContact O-CA 3.4Å; L370-R373 PolarHBondContact O-N 3.32Å; R371-R373 VanDerWaalsContact C-N 3.28Å; R371-R373 PolarHBondContact O-N 3.27Å; R373-V375 HydrophobicContact CB-CG2 3.99Å; R373-V375 PolarHBondContact O-N 2.68Å |
| 374 | Q | 82.1 | Confident | 85.1 | Confident | 135 Ų | 135 | 35.6 Ų | 35.6 | 63% | 0.631 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 22 | -174.4 | -60.6 | -177.2 | -46.9 | 0 | 0 | 114.6 | I257 L370 R371 K372 | I257-Q374 VanDerWaalsContact CG2-O 3.24Å; I257-Q374 WeakPolarHBondContact CG2-O 3.37Å; L370-Q374 PolarHBondContact O-N 2.86Å; R371-Q374 PolarHBondContact O-N 2.98Å; K372-Q374 VanDerWaalsContact C-N 3.28Å |
| 375 | V | 83.2 | Confident | 85.3 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 129.8 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 110 | E351 K352 I354 L370 R373 | E351-V375 WeakPolarHBondContact O-CG1 3.43Å; E351-V375 WeakPolarHBondContact O-CG2 3.45Å; K352-V375 WeakPolarHBondContact O-CA 3.15Å; I354-V375 HydrophobicContact CD1-CG1 3.65Å; I354-V375 HydrophobicContact CG1-CG1 3.96Å; L370-V375 HydrophobicContact CB-CB 4.08Å; L370-V375 HydrophobicContact CB-CG1 4.41Å; L370-V375 HydrophobicContact CD2-CB 4.2Å; L370-V375 HydrophobicContact CD2-CG1 4.2Å; L370-V375 HydrophobicContact CD2-CG2 4.02Å; L370-V375 WeakPolarHBondContact O-CB 3.47Å; L370-V375 PolarHBondContact O-N 3.48Å; R373-V375 HydrophobicContact CB-CG2 3.99Å; R373-V375 PolarHBondContact O-N 2.68Å |
| 376 | L | 85.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.2 | 173.7 | -176.5 | 67.3 | 0 | 0 | 0 | 110.1 | L253 M254 I257 K352 I353 I354 I378 N501 L503 | L253-L376 HydrophobicContact CD1-CD1 3.86Å; L253-L376 HydrophobicContact CD2-CD1 4.24Å; L253-L376 HydrophobicContact CD2-CD2 3.88Å; L253-L376 HydrophobicContact CG-CD1 4.21Å; L253-L376 HydrophobicContact CG-CD2 4.01Å; M254-L376 HydrophobicContact CE-CD2 3.56Å; I257-L376 HydrophobicContact CD1-CB 3.96Å; I257-L376 HydrophobicContact CD1-CD2 4.17Å; I257-L376 HydrophobicContact CG2-CB 4.3Å; K352-L376 PolarHBondContact O-N 2.81Å; I353-L376 CarbonylContact C-O 3.55Å; I353-L376 WeakPolarHBondContact CA-O 3.14Å; I353-L376 HydrophobicContact CG1-CB 4.27Å; I353-L376 HydrophobicContact CG2-CB 4.38Å; I353-L376 HydrophobicContact CG2-CD2 4.41Å; I354-L376 PolarHBondContact N-O 3.35Å; L376-I378 HydrophobicContact CD2-CD1 4.41Å; L376-I378 HydrophobicContact CD2-CG1 4.37Å; L376-I378 HydrophobicContact CG-CG1 4.36Å; L376-N501 HydrophobicContact CD1-CB 4.27Å; L376-L503 HydrophobicContact CD1-CD1 3.79Å; L376-L503 HydrophobicContact CD1-CG 4.04Å; L376-L503 HydrophobicContact CG-CD1 4.27Å |
| 377 | I | 87.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120 | 174.5 | -56.7 | 172.5 | 0 | 0 | 0 | 109 | E356 I362 D367 L370 | E356-I377 HydrophobicContact CG-CG2 4.34Å; I362-I377 HydrophobicContact CD1-CD1 4.21Å; I362-I377 HydrophobicContact CD1-CG1 4.38Å; I362-I377 HydrophobicContact CD1-CG2 3.97Å; D367-I377 HydrophobicContact CB-CD1 4.32Å; D367-I377 WeakPolarHBondContact OD1-CD1 3.45Å; L370-I377 HydrophobicContact CB-CD1 3.97Å; L370-I377 HydrophobicContact CB-CG1 4.49Å; L370-I377 HydrophobicContact CD1-CD1 4.03Å |
| 378 | I | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112.4 | 175 | -64.1 | 175.7 | 0 | 0 | 0 | 108 | T244 F247 I353 I354 V355 E356 L376 V383 L503 | T244-I378 HydrophobicContact CG2-CD1 3.81Å; F247-I378 HydrophobicContact CB-CD1 4.02Å; F247-I378 HydrophobicContact CD2-CD1 4Å; F247-I378 HydrophobicContact CD2-CG1 4.04Å; F247-I378 HydrophobicContact CD2-CG2 3.79Å; F247-I378 HydrophobicContact CE2-CG2 3.89Å; F247-I378 HydrophobicContact CG-CD1 4.42Å; I353-I378 HydrophobicContact CG2-CD1 3.95Å; I353-I378 HydrophobicContact CG2-CG1 4.42Å; I354-I378 PolarHBondContact O-N 3.5Å; V355-I378 HydrophobicContact CG1-CG2 4.38Å; V355-I378 HydrophobicContact CG2-CD1 4.34Å; E356-I378 PolarHBondContact N-O 2.82Å; L376-I378 HydrophobicContact CD2-CD1 4.41Å; L376-I378 HydrophobicContact CD2-CG1 4.37Å; L376-I378 HydrophobicContact CG-CG1 4.36Å; I378-V383 HydrophobicContact CG2-CB 4.42Å; I378-V383 HydrophobicContact CG2-CG1 3.45Å; I378-V383 VanDerWaalsContact CG2-CG1 3.45Å; I378-V383 HydrophobicContact CG2-CG2 4.09Å; I378-L503 HydrophobicContact CG1-CD1 3.94Å |
| 379 | P | 88.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -84.4 | 144.4 | -155.1 | 32.2 | -38.7 | 0 | 0 | 0 | 115.4 | E356 L381 F382 V383 L503 R504 A507 | E356-P379 WeakPolarHBondContact OE2-CA 3.33Å; P379-L381 PolarHBondContact O-N 3Å; P379-F382 HydrophobicContact CG-CB 4.42Å; P379-F382 PolarHBondContact O-N 3.17Å; P379-V383 WeakPolarHBondContact O-CG2 3.44Å; P379-V383 PolarHBondContact O-N 2.86Å; P379-L503 HydrophobicContact CG-CB 4.47Å; P379-R504 HydrophobicContact CB-CB 3.98Å; P379-R504 HydrophobicContact CB-CG 4Å; P379-A507 HydrophobicContact CG-CB 3.87Å | ||
| 380 | D | 85.4 | Confident | 86.4 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.4 | -35.6 | -179.5 | 75.3 | -45.9 | 0 | 0 | 0 | 113.8 | K135 E356 A358 N359 G360 F382 N384 R504 | K135-D380 WeakPolarHBondContact CE-O 3.24Å; K135-D380 PolarHBondContact NZ-O 3.2Å; E356-D380 HydrophobicContact CB-CB 3.7Å; E356-D380 WeakPolarHBondContact O-CA 3.46Å; E356-D380 PolarHBondContact OE2-N 3.41Å; A358-D380 WeakPolarHBondContact O-CB 3.37Å; N359-D380 WeakPolarHBondContact CA-OD2 3.47Å; G360-D380 PolarHBondContact N-OD2 3.21Å; D380-F382 PolarHBondContact O-N 2.65Å; D380-N384 WeakPolarHBondContact O-CB 3.36Å; D380-N384 PolarHBondContact O-N 2.95Å; D380-R504 IonicContact OD1-NH1 2.61Å |
| 381 | L | 86.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.9 | -31.9 | 177.3 | -176.7 | 63.2 | 0 | 0 | 0 | 111.6 | L131 F134 K135 V138 P379 S385 A507 Y508 | L131-L381 HydrophobicContact CD1-CD1 4.22Å; F134-L381 HydrophobicContact CB-CD1 3.62Å; F134-L381 HydrophobicContact CB-CD2 4.31Å; K135-L381 HydrophobicContact CB-CD1 4.12Å; V138-L381 HydrophobicContact CG1-CG 4.39Å; V138-L381 WeakPolarHBondContact CG1-O 3.41Å; P379-L381 PolarHBondContact O-N 3Å; L381-S385 PolarHBondContact O-OG 2.61Å; L381-A507 HydrophobicContact CD2-CB 4.18Å; L381-Y508 HydrophobicContact CD2-CD1 4Å; L381-Y508 HydrophobicContact CD2-CD2 3.57Å; L381-Y508 HydrophobicContact CD2-CE1 4.18Å; L381-Y508 HydrophobicContact CD2-CE2 3.76Å; L381-Y508 HydrophobicContact CD2-CG 3.7Å |
| 382 | F | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -102.5 | -62.3 | 177.8 | 170.7 | -122.1 | 0 | 0 | 0 | 112.8 | V138 V139 F247 P379 D380 N384 S385 M483 A487 I490 | V138-F382 HydrophobicContact CG1-CB 4.28Å; V138-F382 HydrophobicContact CG1-CD2 4.47Å; V139-F382 HydrophobicContact CG1-CD2 3.85Å; V139-F382 HydrophobicContact CG1-CE2 4.03Å; F247-F382 AromaticContact CE2-CD1 3.69Å; F247-F382 HydrophobicContact CE2-CD1 3.69Å; F247-F382 AromaticContact CE2-CE1 3.56Å; F247-F382 HydrophobicContact CE2-CE1 3.56Å; F247-F382 HydrophobicContact CZ-CD1 4Å; F247-F382 AromaticContact CZ-CE1 3.93Å; F247-F382 HydrophobicContact CZ-CE1 3.93Å; P379-F382 HydrophobicContact CG-CB 4.42Å; P379-F382 PolarHBondContact O-N 3.17Å; D380-F382 PolarHBondContact O-N 2.65Å; F382-N384 PolarHBondContact O-N 3.11Å; F382-S385 WeakPolarHBondContact O-CB 3.23Å; F382-S385 PolarHBondContact O-N 3.28Å; F382-S385 PolarHBondContact O-OG 3.05Å; F382-M483 HydrophobicContact CD2-CE 3.95Å; F382-M483 HydrophobicContact CE1-CE 4.23Å; F382-M483 HydrophobicContact CE2-CE 3.39Å; F382-M483 HydrophobicContact CE2-SD 3.88Å; F382-M483 HydrophobicContact CZ-CB 4.31Å; F382-M483 HydrophobicContact CZ-CE 3.55Å; F382-M483 VanDerWaalsContact CZ-O 3.3Å; F382-M483 WeakPolarHBondContact CZ-O 3.46Å; F382-M483 HydrophobicContact CZ-SD 4.38Å; F382-M483 WeakPolarHBondContact O-CE 3.19Å; F382-A487 HydrophobicContact CE1-CB 3.88Å; F382-A487 HydrophobicContact CZ-CB 3.81Å; F382-I490 HydrophobicContact CB-CD1 3.8Å; F382-I490 HydrophobicContact CD1-CD1 3.77Å; F382-I490 HydrophobicContact CD2-CD1 4.02Å; F382-I490 HydrophobicContact CE1-CD1 4.4Å; F382-I490 HydrophobicContact CG-CD1 3.55Å |
| 383 | V | 87.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | -168.2 | -81.7 | 0 | 0 | 0 | 0 | 113.6 | V240 V355 I378 P379 S385 | V240-V383 HydrophobicContact CG1-CB 4.44Å; V240-V383 HydrophobicContact CG2-CB 4.29Å; V355-V383 HydrophobicContact CG1-CG2 4.12Å; I378-V383 HydrophobicContact CG2-CB 4.42Å; I378-V383 HydrophobicContact CG2-CG1 3.45Å; I378-V383 VanDerWaalsContact CG2-CG1 3.45Å; I378-V383 HydrophobicContact CG2-CG2 4.09Å; P379-V383 WeakPolarHBondContact O-CG2 3.44Å; P379-V383 PolarHBondContact O-N 2.86Å; V383-S385 PolarHBondContact O-N 3.08Å |
| 384 | N | 86 | Confident | 87.8 | Confident | 26 Ų | 26 | 14.2 Ų | 14.2 | 14% | 0.139 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 43.3 | 174.7 | -173.3 | 12.7 | 0 | 0 | 0 | 112 | K135 T236 A357 N359 D380 F382 | K135-N384 WeakPolarHBondContact CD-O 3.36Å; K135-N384 WeakPolarHBondContact CE-O 3.47Å; K135-N384 PolarHBondContact NZ-O 2.95Å; T236-N384 WeakPolarHBondContact CG2-OD1 3Å; A357-N384 PolarHBondContact O-ND2 3.24Å; N359-N384 PolarHBondContact N-ND2 2.98Å; N359-N384 PolarHBondContact OD1-ND2 3.21Å; D380-N384 WeakPolarHBondContact O-CB 3.36Å; D380-N384 PolarHBondContact O-N 2.95Å; F382-N384 PolarHBondContact O-N 3.11Å |
| 385 | S | 87.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.007 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -11.1 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | K135 L381 F382 V383 G387 V388 T389 | K135-S385 WeakPolarHBondContact CG-OG 3.38Å; L381-S385 PolarHBondContact O-OG 2.61Å; F382-S385 WeakPolarHBondContact O-CB 3.23Å; F382-S385 PolarHBondContact O-N 3.28Å; F382-S385 PolarHBondContact O-OG 3.05Å; V383-S385 PolarHBondContact O-N 3.08Å; S385-G387 VanDerWaalsContact C-N 3.25Å; S385-G387 PolarHBondContact O-N 3.37Å; S385-G387 VanDerWaalsContact O-N 3.15Å; S385-V388 WeakPolarHBondContact O-CG1 3.16Å; S385-V388 PolarHBondContact O-N 3.44Å; S385-T389 PolarHBondContact O-N 2.67Å; S385-T389 PolarHBondContact O-OG1 3.04Å |
| 386 | G | 85.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.1 | -38.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A235 V388 T389 V390 | A235-G386 WeakPolarHBondContact O-CA 3.06Å; G386-V388 VanDerWaalsContact C-N 3.34Å; G386-V388 PolarHBondContact O-N 2.74Å; G386-T389 PolarHBondContact O-N 3Å; G386-V390 WeakPolarHBondContact O-CG2 3.38Å; G386-V390 PolarHBondContact O-N 3.06Å |
| 387 | G | 86.1 | Confident | 88.6 | Confident | 18 Ų | 18 | 11.8 Ų | 11.8 | 19% | 0.186 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.3 | -26.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S385 S391 | S385-G387 VanDerWaalsContact C-N 3.25Å; S385-G387 PolarHBondContact O-N 3.37Å; S385-G387 VanDerWaalsContact O-N 3.15Å; G387-S391 VanDerWaalsContact O-CB 3.31Å; G387-S391 WeakPolarHBondContact O-CB 3.36Å; G387-S391 PolarHBondContact O-N 3.26Å; G387-S391 PolarHBondContact O-OG 3.28Å |
| 388 | V | 89.1 | Confident | 88.7 | Confident | 12 Ų | 12 | 12.1 Ų | 12.1 | 7% | 0.073 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -83.2 | -38.1 | 173.4 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | K111 M132 K135 V139 S385 G386 V390 S391 Y392 | K111-V388 HydrophobicContact CG-CG2 3.78Å; M132-V388 HydrophobicContact CE-CB 4.28Å; M132-V388 HydrophobicContact CE-CG2 3.83Å; K135-V388 HydrophobicContact CG-CG1 4.15Å; V139-V388 HydrophobicContact CG2-CG1 4.32Å; S385-V388 WeakPolarHBondContact O-CG1 3.16Å; S385-V388 PolarHBondContact O-N 3.44Å; G386-V388 VanDerWaalsContact C-N 3.34Å; G386-V388 PolarHBondContact O-N 2.74Å; V388-V390 PolarHBondContact O-N 3.25Å; V388-S391 CarbonylContact O-C 3.52Å; V388-S391 WeakPolarHBondContact O-CB 3.16Å; V388-S391 PolarHBondContact O-N 3.3Å; V388-Y392 PolarHBondContact O-N 3.18Å |
| 389 | T | 90 | Very high | 88.6 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 172.4 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | S385 G386 S391 Y392 F393 L479 T482 | S385-T389 PolarHBondContact O-N 2.67Å; S385-T389 PolarHBondContact O-OG1 3.04Å; G386-T389 PolarHBondContact O-N 3Å; T389-S391 VanDerWaalsContact C-N 3.33Å; T389-S391 PolarHBondContact O-N 2.8Å; T389-Y392 WeakPolarHBondContact O-CB 3.28Å; T389-Y392 PolarHBondContact O-N 3.22Å; T389-Y392 VanDerWaalsContact O-N 3.15Å; T389-F393 HydrophobicContact CG2-CE1 4.18Å; T389-F393 HydrophobicContact CG2-CE2 3.88Å; T389-F393 HydrophobicContact CG2-CZ 3.56Å; T389-F393 WeakPolarHBondContact O-CG 3.48Å; T389-F393 PolarHBondContact O-N 3.24Å; T389-F393 VanDerWaalsContact O-N 3.14Å; T389-L479 HydrophobicContact CG2-CD1 4.01Å; T389-T482 HydrophobicContact CG2-CG2 3.76Å |
| 390 | V | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.7 | -26 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | I229 R232 A235 G386 V388 F393 E394 V475 L479 | I229-V390 HydrophobicContact CG2-CG1 3.64Å; R232-V390 HydrophobicContact CB-CG1 4.42Å; A235-V390 HydrophobicContact CB-CB 3.88Å; A235-V390 HydrophobicContact CB-CG1 4.33Å; A235-V390 HydrophobicContact CB-CG2 3.51Å; G386-V390 WeakPolarHBondContact O-CG2 3.38Å; G386-V390 PolarHBondContact O-N 3.06Å; V388-V390 PolarHBondContact O-N 3.25Å; V390-F393 HydrophobicContact CG2-CD2 4.19Å; V390-F393 HydrophobicContact CG2-CE2 4.41Å; V390-F393 PolarHBondContact O-N 3.23Å; V390-E394 PolarHBondContact O-N 3.36Å; V390-V475 HydrophobicContact CB-CG1 4.28Å; V390-V475 HydrophobicContact CG1-CG1 3.66Å; V390-V475 HydrophobicContact CG2-CG1 3.6Å; V390-L479 HydrophobicContact CG2-CB 4.42Å; V390-L479 HydrophobicContact CG2-CD2 4.33Å |
| 391 | S | 91.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.9 | -34.4 | 167.9 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | T220 R232 G387 V388 T389 E394 W395 | T220-S391 WeakPolarHBondContact CG2-O 3.47Å; T220-S391 WeakPolarHBondContact OG1-CB 3.43Å; T220-S391 PolarHBondContact OG1-OG 3.25Å; R232-S391 PolarHBondContact NH1-OG 3.48Å; R232-S391 PolarHBondContact NH2-OG 3.47Å; R232-S391 VanDerWaalsContact NH2-OG 3.07Å; G387-S391 VanDerWaalsContact O-CB 3.31Å; G387-S391 WeakPolarHBondContact O-CB 3.36Å; G387-S391 PolarHBondContact O-N 3.26Å; G387-S391 PolarHBondContact O-OG 3.28Å; V388-S391 CarbonylContact O-C 3.52Å; V388-S391 WeakPolarHBondContact O-CB 3.16Å; V388-S391 PolarHBondContact O-N 3.3Å; T389-S391 VanDerWaalsContact C-N 3.33Å; T389-S391 PolarHBondContact O-N 2.8Å; S391-E394 PolarHBondContact O-N 2.91Å; S391-W395 PolarHBondContact O-N 3.1Å |
| 392 | Y | 91.7 | Very high | 87.3 | Confident | 56 Ų | 56 | 26.4 Ų | 26.4 | 22% | 0.22 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 172.2 | 167.9 | -114.5 | 0 | 0 | 0 | 111.4 | V141 P142 F143 V388 T389 W395 L396 | V141-Y392 HydrophobicContact CG1-CD2 4.28Å; V141-Y392 HydrophobicContact CG1-CG 4.09Å; V141-Y392 HydrophobicContact CG2-CD1 4.47Å; V141-Y392 HydrophobicContact CG2-CG 4.47Å; P142-Y392 HydrophobicContact CG-CD2 4.19Å; P142-Y392 HydrophobicContact CG-CE2 3.45Å; P142-Y392 VanDerWaalsContact CG-CE2 3.45Å; F143-Y392 HydrophobicContact CE1-CD2 4.02Å; F143-Y392 HydrophobicContact CE2-CD2 4.05Å; F143-Y392 HydrophobicContact CE2-CG 4.45Å; F143-Y392 AromaticContact CZ-CD2 3.66Å; F143-Y392 HydrophobicContact CZ-CD2 3.66Å; F143-Y392 HydrophobicContact CZ-CG 4.44Å; V388-Y392 PolarHBondContact O-N 3.18Å; T389-Y392 WeakPolarHBondContact O-CB 3.28Å; T389-Y392 PolarHBondContact O-N 3.22Å; T389-Y392 VanDerWaalsContact O-N 3.15Å; Y392-W395 HydrophobicContact CD2-CE3 4.01Å; Y392-W395 HydrophobicContact CD2-CZ3 4.37Å; Y392-W395 HydrophobicContact CE2-CE3 4.07Å; Y392-W395 HydrophobicContact CE2-CZ3 4.04Å; Y392-W395 PolarHBondContact O-N 2.88Å; Y392-L396 HydrophobicContact CD1-CD1 4.35Å; Y392-L396 HydrophobicContact CD2-CG 4.36Å; Y392-L396 HydrophobicContact CE1-CD1 3.78Å; Y392-L396 HydrophobicContact CE2-CD1 4.02Å; Y392-L396 HydrophobicContact CE2-CD2 4.15Å; Y392-L396 HydrophobicContact CE2-CG 3.95Å; Y392-L396 WeakPolarHBondContact O-CG 3.47Å; Y392-L396 PolarHBondContact O-N 3.13Å |
| 393 | F | 90.3 | Very high | 86.1 | Confident | 28 Ų | 28 | 28.2 Ų | 28.2 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 172.4 | -55 | -23.3 | 0 | 0 | 0 | 112.1 | I229 T389 V390 W395 L396 K397 F404 V475 | I229-F393 HydrophobicContact CD1-CB 3.71Å; T389-F393 HydrophobicContact CG2-CE1 4.18Å; T389-F393 HydrophobicContact CG2-CE2 3.88Å; T389-F393 HydrophobicContact CG2-CZ 3.56Å; T389-F393 WeakPolarHBondContact O-CG 3.48Å; T389-F393 PolarHBondContact O-N 3.24Å; T389-F393 VanDerWaalsContact O-N 3.14Å; V390-F393 HydrophobicContact CG2-CD2 4.19Å; V390-F393 HydrophobicContact CG2-CE2 4.41Å; V390-F393 PolarHBondContact O-N 3.23Å; F393-W395 VanDerWaalsContact C-N 3.33Å; F393-W395 PolarHBondContact O-N 2.76Å; F393-L396 PolarHBondContact O-N 2.99Å; F393-K397 WeakPolarHBondContact O-CB 3.32Å; F393-K397 PolarHBondContact O-N 3.22Å; F393-F404 HydrophobicContact CB-CE2 4.13Å; F393-F404 HydrophobicContact CB-CZ 4.39Å; F393-F404 WeakPolarHBondContact O-CE2 3.46Å; F393-F404 WeakPolarHBondContact O-CZ 3.44Å; F393-V475 HydrophobicContact CD2-CG1 4.45Å; F393-V475 HydrophobicContact CD2-CG2 4.49Å |
| 394 | E | 91.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 174.2 | -166.5 | -173.3 | 142.9 | 0 | 0 | 112.2 | T220 G221 K222 I229 R232 V390 S391 K397 N398 | T220-E394 WeakPolarHBondContact CA-OE1 3.08Å; T220-E394 HydrophobicContact CG2-CB 4.22Å; T220-E394 HydrophobicContact CG2-CG 4.43Å; G221-E394 WeakPolarHBondContact CA-OE2 3.31Å; G221-E394 PolarHBondContact N-OE1 3.34Å; G221-E394 PolarHBondContact N-OE2 2.88Å; K222-E394 PolarHBondContact N-OE1 3.19Å; K222-E394 IonicContact NZ-OE1 3.86Å; K222-E394 PolarHBondContact NZ-OE1 3.36Å; I229-E394 HydrophobicContact CB-CB 3.98Å; I229-E394 HydrophobicContact CB-CG 4Å; I229-E394 HydrophobicContact CG2-CB 3.77Å; I229-E394 HydrophobicContact CG2-CG 4.09Å; R232-E394 IonicContact CZ-OE2 3.42Å; R232-E394 IonicContact NH1-OE2 2.84Å; R232-E394 PolarHBondContact NH1-OE2 3.02Å; V390-E394 PolarHBondContact O-N 3.36Å; S391-E394 PolarHBondContact O-N 2.91Å; E394-K397 WeakPolarHBondContact O-CB 3.28Å; E394-K397 PolarHBondContact O-N 2.68Å; E394-N398 PolarHBondContact O-N 3.24Å; E394-N398 VanDerWaalsContact O-N 3.15Å; E394-N398 PolarHBondContact O-ND2 3.48Å |
| 395 | W | 92 | Very high | 83.4 | Confident | 30 Ų | 30 | 30 Ų | 30 | 11% | 0.114 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -48.2 | 176.1 | 178.8 | 79.1 | 0 | 0 | 0 | 111.5 | P109 F143 P181 T220 S391 Y392 F393 K397 N398 L399 | P109-W395 HydrophobicContact CG-CH2 4.43Å; P109-W395 HydrophobicContact CG-CZ2 3.63Å; F143-W395 AromaticContact CE1-CD2 3.75Å; F143-W395 HydrophobicContact CE1-CD2 3.75Å; F143-W395 AromaticContact CE1-CE3 3.64Å; F143-W395 HydrophobicContact CE1-CE3 3.64Å; F143-W395 HydrophobicContact CE1-CG 4.37Å; F143-W395 HydrophobicContact CE1-CH2 4.02Å; F143-W395 HydrophobicContact CE1-CZ2 4.13Å; F143-W395 AromaticContact CE1-CZ3 3.79Å; F143-W395 HydrophobicContact CE1-CZ3 3.79Å; F143-W395 HydrophobicContact CZ-CB 3.99Å; F143-W395 AromaticContact CZ-CD2 3.62Å; F143-W395 HydrophobicContact CZ-CD2 3.62Å; F143-W395 AromaticContact CZ-CE3 3.66Å; F143-W395 HydrophobicContact CZ-CE3 3.66Å; F143-W395 AromaticContact CZ-CG 3.81Å; F143-W395 HydrophobicContact CZ-CG 3.81Å; F143-W395 HydrophobicContact CZ-CZ3 4.28Å; P181-W395 PolarHBondContact O-NE1 3.17Å; T220-W395 HydrophobicContact CG2-CB 4.11Å; S391-W395 PolarHBondContact O-N 3.1Å; Y392-W395 HydrophobicContact CD2-CE3 4.01Å; Y392-W395 HydrophobicContact CD2-CZ3 4.37Å; Y392-W395 HydrophobicContact CE2-CE3 4.07Å; Y392-W395 HydrophobicContact CE2-CZ3 4.04Å; Y392-W395 PolarHBondContact O-N 2.88Å; F393-W395 VanDerWaalsContact C-N 3.33Å; F393-W395 PolarHBondContact O-N 2.76Å; W395-K397 VanDerWaalsContact C-N 3.32Å; W395-K397 PolarHBondContact O-N 3.06Å; W395-N398 PolarHBondContact O-N 3.14Å; W395-L399 HydrophobicContact CD2-CD1 3.88Å; W395-L399 HydrophobicContact CD2-CG 4.28Å; W395-L399 HydrophobicContact CE3-CD1 3.93Å; W395-L399 HydrophobicContact CH2-CD1 3.58Å; W395-L399 HydrophobicContact CZ2-CD1 3.5Å; W395-L399 VanDerWaalsContact CZ2-CD1 3.5Å; W395-L399 HydrophobicContact CZ2-CG 4.41Å; W395-L399 HydrophobicContact CZ3-CD1 3.77Å; W395-L399 PolarHBondContact O-N 2.86Å |
| 396 | L | 88.7 | Confident | 81.4 | Confident | 45 Ų | 45 | 39.5 Ų | 39.5 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -41.5 | 173.6 | -71.5 | 179 | 0 | 0 | 0 | 112.6 | Y392 F393 N398 L399 N400 F404 | Y392-L396 HydrophobicContact CD1-CD1 4.35Å; Y392-L396 HydrophobicContact CD2-CG 4.36Å; Y392-L396 HydrophobicContact CE1-CD1 3.78Å; Y392-L396 HydrophobicContact CE2-CD1 4.02Å; Y392-L396 HydrophobicContact CE2-CD2 4.15Å; Y392-L396 HydrophobicContact CE2-CG 3.95Å; Y392-L396 WeakPolarHBondContact O-CG 3.47Å; Y392-L396 PolarHBondContact O-N 3.13Å; F393-L396 PolarHBondContact O-N 2.99Å; L396-N398 VanDerWaalsContact C-N 3.3Å; L396-N398 PolarHBondContact O-N 2.8Å; L396-L399 PolarHBondContact O-N 3.49Å; L396-N400 WeakPolarHBondContact O-CB 3.37Å; L396-N400 PolarHBondContact O-N 3.01Å; L396-N400 PolarHBondContact O-ND2 3.03Å; L396-F404 HydrophobicContact CB-CZ 4.3Å |
| 397 | K | 86.5 | Confident | 79.4 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.3 | -46.7 | 176.1 | -171.7 | -173.2 | 174 | 171.4 | 0 | 111.4 | G228 I229 F393 E394 W395 H401 V402 F404 E471 | G228-K397 PolarHBondContact O-NZ 3.4Å; I229-K397 HydrophobicContact CB-CD 4.38Å; I229-K397 HydrophobicContact CG1-CD 4.21Å; F393-K397 WeakPolarHBondContact O-CB 3.32Å; F393-K397 PolarHBondContact O-N 3.22Å; E394-K397 WeakPolarHBondContact O-CB 3.28Å; E394-K397 PolarHBondContact O-N 2.68Å; W395-K397 VanDerWaalsContact C-N 3.32Å; W395-K397 PolarHBondContact O-N 3.06Å; K397-H401 PolarHBondContact O-N 3.27Å; K397-V402 WeakPolarHBondContact CG-O 3.35Å; K397-V402 PolarHBondContact O-N 2.86Å; K397-F404 HydrophobicContact CB-CD2 4.49Å; K397-F404 HydrophobicContact CB-CE2 3.81Å; K397-F404 HydrophobicContact CB-CZ 4.24Å; K397-F404 HydrophobicContact CG-CE2 4.3Å; K397-E471 WeakPolarHBondContact CE-OE1 3.47Å; K397-E471 IonicContact NZ-OE1 3.91Å; K397-E471 PolarHBondContact NZ-OE1 3.09Å; K397-E471 IonicContact NZ-OE2 3.49Å; K397-E471 PolarHBondContact NZ-OE2 3.46Å |
| 398 | N | 89.1 | Confident | 77.6 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.2 | -43.2 | -179.9 | -72.8 | -85.8 | 0 | 0 | 0 | 112.3 | A217 K222 G227 E394 W395 L396 N400 H401 | A217-N398 HydrophobicContact CB-CB 3.65Å; K222-N398 PolarHBondContact NZ-ND2 3.4Å; K222-N398 VanDerWaalsContact NZ-ND2 3.1Å; G227-N398 PolarHBondContact O-ND2 2.98Å; E394-N398 PolarHBondContact O-N 3.24Å; E394-N398 VanDerWaalsContact O-N 3.15Å; E394-N398 PolarHBondContact O-ND2 3.48Å; W395-N398 PolarHBondContact O-N 3.14Å; L396-N398 VanDerWaalsContact C-N 3.3Å; L396-N398 PolarHBondContact O-N 2.8Å; N398-N400 VanDerWaalsContact C-N 3.27Å; N398-N400 PolarHBondContact O-N 3.49Å; N398-H401 PolarHBondContact O-N 2.74Å |
| 399 | L | 87.6 | Confident | 75.4 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -33.8 | 177.1 | -72.1 | -171.1 | 0 | 0 | 0 | 113.9 | P181 D214 A217 W395 L396 H401 | P181-L399 HydrophobicContact CB-CD2 4.29Å; D214-L399 HydrophobicContact CB-CD2 3.75Å; A217-L399 HydrophobicContact CB-CD2 3.73Å; A217-L399 HydrophobicContact CB-CG 4.18Å; W395-L399 HydrophobicContact CD2-CD1 3.88Å; W395-L399 HydrophobicContact CD2-CG 4.28Å; W395-L399 HydrophobicContact CE3-CD1 3.93Å; W395-L399 HydrophobicContact CH2-CD1 3.58Å; W395-L399 HydrophobicContact CZ2-CD1 3.5Å; W395-L399 VanDerWaalsContact CZ2-CD1 3.5Å; W395-L399 HydrophobicContact CZ2-CG 4.41Å; W395-L399 HydrophobicContact CZ3-CD1 3.77Å; W395-L399 PolarHBondContact O-N 2.86Å; L396-L399 PolarHBondContact O-N 3.49Å; L399-H401 PolarHBondContact O-CD2 2.95Å; L399-H401 VanDerWaalsContact O-CD2 3.24Å; L399-H401 PolarHBondContact O-NE2 3.43Å |
| 400 | N | 83.5 | Confident | 72.9 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 52% | 0.524 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -1.4 | -177.9 | -69.8 | -90 | 0 | 0 | 0 | 113 | L396 N398 V402 | L396-N400 WeakPolarHBondContact O-CB 3.37Å; L396-N400 PolarHBondContact O-N 3.01Å; L396-N400 PolarHBondContact O-ND2 3.03Å; N398-N400 VanDerWaalsContact C-N 3.27Å; N398-N400 PolarHBondContact O-N 3.49Å; N400-V402 VanDerWaalsContact C-N 3.28Å; N400-V402 HydrophobicContact CB-CG2 3.61Å; N400-V402 WeakPolarHBondContact O-CG1 3.27Å; N400-V402 PolarHBondContact O-N 3.35Å |
| 401 | H | 79.5 | Confident | 70.4 | Confident | 116 Ų | 116 | 62 Ų | 62 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 34.1 | 177.9 | -57.4 | -75.5 | 0 | 0 | 0 | 114.6 | K213 D214 K397 N398 L399 | K213-H401 PolarHBondContact NZ-NE2 2.72Å; K213-H401 PolarHBondContact O-CE1 2.53Å; D214-H401 IonicContact OD1-CD2 2.78Å; D214-H401 IonicContact OD1-CE1 3.77Å; D214-H401 CovalentContact OD1-NE2 1.77Å; D214-H401 IonicContact OD1-NE2 3.02Å; D214-H401 PolarHBondContact OD1-NE2 2.9Å; D214-H401 IonicContact OD2-NE2 3.41Å; K397-H401 PolarHBondContact O-N 3.27Å; N398-H401 PolarHBondContact O-N 2.74Å; L399-H401 PolarHBondContact O-CD2 2.95Å; L399-H401 VanDerWaalsContact O-CD2 3.24Å; L399-H401 PolarHBondContact O-NE2 3.43Å |
| 402 | V | 69.8 | Low | 68.2 | Low | 48 Ų | 48 | 66.2 Ų | 66.2 | 29% | 0.291 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -140.5 | 152.6 | -171.4 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | K397 N400 L407 | K397-V402 WeakPolarHBondContact CG-O 3.35Å; K397-V402 PolarHBondContact O-N 2.86Å; N400-V402 VanDerWaalsContact C-N 3.28Å; N400-V402 HydrophobicContact CB-CG2 3.61Å; N400-V402 WeakPolarHBondContact O-CG1 3.27Å; N400-V402 PolarHBondContact O-N 3.35Å; V402-L407 HydrophobicContact CB-CD1 4.43Å; V402-L407 HydrophobicContact CG2-CD1 3.69Å; V402-L407 HydrophobicContact CG2-CG 4.33Å |
| 403 | S | 65.2 | Low | 65.7 | Low | 38 Ų | 38 | 70.2 Ų | 70.2 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | trans | -90.9 | 144.4 | 161.3 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | G405 R406 E471 | S403-G405 VanDerWaalsContact C-N 3.28Å; S403-G405 PolarHBondContact O-N 2.96Å; S403-R406 PolarHBondContact O-N 3.15Å; S403-E471 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 404 | F | 62.8 | Low | 63.3 | Low | 39 Ų | 39 | 74.1 Ų | 74.1 | 17% | 0.171 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -36.2 | -173.8 | -71.8 | -69.5 | 0 | 0 | 0 | 112.5 | I229 F393 L396 K397 R406 L407 T408 E471 I474 | I229-F404 HydrophobicContact CD1-CD2 4.02Å; I229-F404 HydrophobicContact CD1-CE2 3.74Å; F393-F404 HydrophobicContact CB-CE2 4.13Å; F393-F404 HydrophobicContact CB-CZ 4.39Å; F393-F404 WeakPolarHBondContact O-CE2 3.46Å; F393-F404 WeakPolarHBondContact O-CZ 3.44Å; L396-F404 HydrophobicContact CB-CZ 4.3Å; K397-F404 HydrophobicContact CB-CD2 4.49Å; K397-F404 HydrophobicContact CB-CE2 3.81Å; K397-F404 HydrophobicContact CB-CZ 4.24Å; K397-F404 HydrophobicContact CG-CE2 4.3Å; F404-R406 PolarHBondContact O-N 2.85Å; F404-L407 PolarHBondContact O-N 3.31Å; F404-T408 PolarHBondContact O-N 2.78Å; F404-T408 PolarHBondContact O-OG1 2.83Å; F404-E471 HydrophobicContact CB-CG 4.39Å; F404-E471 HydrophobicContact CD2-CG 4.47Å; F404-E471 PolarHBondContact N-OE1 3.28Å; F404-I474 HydrophobicContact CB-CD1 4.25Å; F404-I474 HydrophobicContact CB-CG2 4.16Å |
| 405 | G | 53.7 | Low | 60.9 | Low | 25 Ų | 25 | 76.5 Ų | 76.5 | 26% | 0.258 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -6.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S403 F409 | S403-G405 VanDerWaalsContact C-N 3.28Å; S403-G405 PolarHBondContact O-N 2.96Å; G405-F409 WeakPolarHBondContact O-CD2 3.34Å |
| 406 | R | 46.2 | Very low | 58.6 | Low | 201 Ų | 201 | 78.5 Ų | 78.5 | 76% | 0.758 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -96.1 | -20.3 | 169.1 | -73.4 | -178.5 | 173.6 | -175.1 | -0.3 | 113.8 | S403 F404 | S403-R406 PolarHBondContact O-N 3.15Å; F404-R406 PolarHBondContact O-N 2.85Å |
| 407 | L | 42.7 | Very low | 56.3 | Low | 92 Ų | 92 | 83.8 Ų | 83.8 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -88.3 | -55.9 | -176.9 | -92.1 | 175.8 | 0 | 0 | 0 | 112.7 | V402 F404 F409 K410 Y411 | V402-L407 HydrophobicContact CB-CD1 4.43Å; V402-L407 HydrophobicContact CG2-CD1 3.69Å; V402-L407 HydrophobicContact CG2-CG 4.33Å; F404-L407 PolarHBondContact O-N 3.31Å; L407-F409 VanDerWaalsContact C-N 3.34Å; L407-F409 PolarHBondContact O-N 2.64Å; L407-K410 PolarHBondContact O-N 2.88Å; L407-K410 VanDerWaalsContact O-N 3.14Å; L407-Y411 PolarHBondContact O-N 2.78Å; L407-Y411 VanDerWaalsContact O-N 3.08Å |
| 408 | T | 48.9 | Very low | 54 | Low | 37 Ų | 37 | 89.6 Ų | 89.6 | 23% | 0.227 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | -178.9 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | F404 K410 Y411 E412 I474 | F404-T408 PolarHBondContact O-N 2.78Å; F404-T408 PolarHBondContact O-OG1 2.83Å; T408-K410 PolarHBondContact O-N 3.18Å; T408-Y411 PolarHBondContact O-N 2.84Å; T408-Y411 VanDerWaalsContact O-N 3.17Å; T408-E412 WeakPolarHBondContact O-CB 3.08Å; T408-E412 PolarHBondContact O-N 2.81Å; T408-I474 HydrophobicContact CG2-CD1 4.22Å; T408-I474 WeakPolarHBondContact OG1-CD1 3.29Å |
| 409 | F | 41.6 | Very low | 51.5 | Low | 62 Ų | 62 | 94.7 Ų | 94.7 | 27% | 0.272 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.5 | -15 | 177.9 | -87.9 | -84.5 | 0 | 0 | 0 | 116.2 | G405 L407 K413 M466 A469 | G405-F409 WeakPolarHBondContact O-CD2 3.34Å; L407-F409 VanDerWaalsContact C-N 3.34Å; L407-F409 PolarHBondContact O-N 2.64Å; F409-K413 WeakPolarHBondContact O-CB 3.42Å; F409-K413 WeakPolarHBondContact O-CD 3.22Å; F409-M466 WeakPolarHBondContact CE1-O 3.13Å; F409-A469 HydrophobicContact CE2-CB 4.32Å; F409-A469 VanDerWaalsContact CE2-O 3.27Å; F409-A469 WeakPolarHBondContact CE2-O 3.43Å; F409-A469 HydrophobicContact CZ-CB 4.43Å |
| 410 | K | 37.8 | Very low | 49.3 | Very low | 129 Ų | 129 | 97.9 Ų | 97.9 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -95.8 | -51.6 | 167.5 | -163.9 | 176.7 | 178.9 | -174.6 | 0 | 111 | L407 T408 K413 E414 | L407-K410 PolarHBondContact O-N 2.88Å; L407-K410 VanDerWaalsContact O-N 3.14Å; T408-K410 PolarHBondContact O-N 3.18Å; K410-K413 PolarHBondContact O-N 3.36Å; K410-E414 WeakPolarHBondContact CE-OE1 3.33Å; K410-E414 IonicContact NZ-OE1 3.55Å; K410-E414 WeakPolarHBondContact O-CB 3.32Å; K410-E414 PolarHBondContact O-N 3.44Å |
| 411 | Y | 38.9 | Very low | 47.1 | Very low | 183 Ų | 183 | 96.3 Ų | 96.3 | 72% | 0.718 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.1 | -44.3 | -172.7 | -145.7 | -87.7 | 0 | 0 | 0 | 113 | L407 T408 S415 | L407-Y411 PolarHBondContact O-N 2.78Å; L407-Y411 VanDerWaalsContact O-N 3.08Å; T408-Y411 PolarHBondContact O-N 2.84Å; T408-Y411 VanDerWaalsContact O-N 3.17Å; Y411-S415 VanDerWaalsContact O-CB 3.27Å; Y411-S415 WeakPolarHBondContact O-CB 3.38Å; Y411-S415 PolarHBondContact O-N 3Å; Y411-S415 PolarHBondContact O-OG 2.89Å |
| 412 | E | 44.6 | Very low | 45 | Very low | 91 Ų | 91 | 100.1 Ų | 100.1 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.7 | -31.9 | 176.7 | -64.6 | -175.3 | 113.9 | 0 | 0 | 111.9 | T408 S415 T416 | T408-E412 WeakPolarHBondContact O-CB 3.08Å; T408-E412 PolarHBondContact O-N 2.81Å; E412-S415 PolarHBondContact O-N 2.92Å; E412-T416 WeakPolarHBondContact O-CB 3.42Å; E412-T416 PolarHBondContact O-N 2.87Å; E412-T416 PolarHBondContact O-OG1 2.7Å |
| 413 | K | 39.1 | Very low | 43.3 | Very low | 140 Ų | 140 | 102.6 Ų | 102.6 | 61% | 0.609 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.6 | -33.4 | 178.3 | -161 | 170.3 | -170.4 | 168.7 | 0 | 112.2 | F409 K410 K417 | F409-K413 WeakPolarHBondContact O-CB 3.42Å; F409-K413 WeakPolarHBondContact O-CD 3.22Å; K410-K413 PolarHBondContact O-N 3.36Å; K413-K417 WeakPolarHBondContact O-CB 3.33Å; K413-K417 PolarHBondContact O-N 2.55Å |
| 414 | E | 39.8 | Very low | 41.7 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.5 | -40.3 | 169.8 | -73.6 | 179 | -174.4 | 0 | 0 | 111.7 | K410 T416 K417 L418 | K410-E414 WeakPolarHBondContact CE-OE1 3.33Å; K410-E414 IonicContact NZ-OE1 3.55Å; K410-E414 WeakPolarHBondContact O-CB 3.32Å; K410-E414 PolarHBondContact O-N 3.44Å; E414-T416 PolarHBondContact O-N 2.98Å; E414-K417 CarbonylContact O-C 3.57Å; E414-K417 WeakPolarHBondContact O-CB 3.22Å; E414-K417 PolarHBondContact O-N 2.71Å; E414-L418 PolarHBondContact O-N 2.95Å |
| 415 | S | 41.3 | Very low | 40.3 | Very low | 51 Ų | 51 | 116 Ų | 116 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -43.7 | 172.2 | -59 | 0 | 0 | 0 | 0 | 112.3 | Y411 E412 L418 L419 | Y411-S415 VanDerWaalsContact O-CB 3.27Å; Y411-S415 WeakPolarHBondContact O-CB 3.38Å; Y411-S415 PolarHBondContact O-N 3Å; Y411-S415 PolarHBondContact O-OG 2.89Å; E412-S415 PolarHBondContact O-N 2.92Å; S415-L418 WeakPolarHBondContact O-CB 3.1Å; S415-L418 PolarHBondContact O-N 3.44Å; S415-L418 VanDerWaalsContact O-N 3.11Å; S415-L419 PolarHBondContact O-N 3.26Å |
| 416 | T | 42.7 | Very low | 39.2 | Very low | 71 Ų | 71 | 119 Ų | 119 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.6 | -36.1 | 175.3 | -54 | 0 | 0 | 0 | 0 | 111.3 | E412 E414 L418 L419 L420 | E412-T416 WeakPolarHBondContact O-CB 3.42Å; E412-T416 PolarHBondContact O-N 2.87Å; E412-T416 PolarHBondContact O-OG1 2.7Å; E414-T416 PolarHBondContact O-N 2.98Å; T416-L418 VanDerWaalsContact C-N 3.31Å; T416-L418 PolarHBondContact O-N 2.73Å; T416-L419 PolarHBondContact O-N 2.81Å; T416-L420 HydrophobicContact CG2-CD1 3.86Å; T416-L420 HydrophobicContact CG2-CG 4.31Å; T416-L420 VanDerWaalsContact O-CB 3.31Å; T416-L420 WeakPolarHBondContact O-CB 3.39Å; T416-L420 VanDerWaalsContact O-CG 3.28Å; T416-L420 WeakPolarHBondContact O-CG 3.36Å; T416-L420 PolarHBondContact O-N 3.22Å |
| 417 | K | 40.7 | Very low | 38.5 | Very low | 156 Ų | 156 | 112.5 Ų | 112.5 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.1 | -32.5 | 168.2 | -97.9 | -175.9 | 170.4 | -175.3 | 0 | 113 | K413 E414 G421 | K413-K417 WeakPolarHBondContact O-CB 3.33Å; K413-K417 PolarHBondContact O-N 2.55Å; E414-K417 CarbonylContact O-C 3.57Å; E414-K417 WeakPolarHBondContact O-CB 3.22Å; E414-K417 PolarHBondContact O-N 2.71Å; K417-G421 VanDerWaalsContact O-CA 3.25Å; K417-G421 WeakPolarHBondContact O-CA 3.41Å; K417-G421 PolarHBondContact O-N 2.86Å |
| 418 | L | 38.3 | Very low | 37.9 | Very low | 141 Ų | 141 | 113.6 Ų | 113.6 | 74% | 0.738 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.9 | -39.6 | 178.5 | -149.4 | 76.5 | 0 | 0 | 0 | 111.3 | E414 S415 T416 | E414-L418 PolarHBondContact O-N 2.95Å; S415-L418 WeakPolarHBondContact O-CB 3.1Å; S415-L418 PolarHBondContact O-N 3.44Å; S415-L418 VanDerWaalsContact O-N 3.11Å; T416-L418 VanDerWaalsContact C-N 3.31Å; T416-L418 PolarHBondContact O-N 2.73Å |
| 419 | L | 37.9 | Very low | 37.4 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 63% | 0.628 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.5 | -51.8 | 171.8 | -78.7 | 159.3 | 0 | 0 | 0 | 111.7 | S415 T416 G421 | S415-L419 PolarHBondContact O-N 3.26Å; T416-L419 PolarHBondContact O-N 2.81Å; L419-G421 VanDerWaalsContact C-N 3.33Å; L419-G421 PolarHBondContact O-N 3.43Å |
| 420 | L | 39.5 | Very low | 37.1 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.2 | -27.7 | 178.6 | -67.8 | 172.7 | 0 | 0 | 0 | 113.1 | T416 K422 M423 | T416-L420 HydrophobicContact CG2-CD1 3.86Å; T416-L420 HydrophobicContact CG2-CG 4.31Å; T416-L420 VanDerWaalsContact O-CB 3.31Å; T416-L420 WeakPolarHBondContact O-CB 3.39Å; T416-L420 VanDerWaalsContact O-CG 3.28Å; T416-L420 WeakPolarHBondContact O-CG 3.36Å; T416-L420 PolarHBondContact O-N 3.22Å; L420-K422 PolarHBondContact O-N 3.36Å; L420-M423 PolarHBondContact O-N 3.16Å |
| 421 | G | 37.6 | Very low | 37 | Very low | 65 Ų | 65 | 126.9 Ų | 126.9 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.5 | -18.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K417 L419 | K417-G421 VanDerWaalsContact O-CA 3.25Å; K417-G421 WeakPolarHBondContact O-CA 3.41Å; K417-G421 PolarHBondContact O-N 2.86Å; L419-G421 VanDerWaalsContact C-N 3.33Å; L419-G421 PolarHBondContact O-N 3.43Å |
| 422 | K | 35.2 | Very low | 36.9 | Very low | 196 Ų | 196 | 128 Ų | 128 | 85% | 0.852 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 3.5 | 170.7 | -69.5 | -171.4 | 174.9 | -176.8 | 0 | 113.7 | L420 | L420-K422 PolarHBondContact O-N 3.36Š|
| 423 | M | 35.8 | Very low | 36.5 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 49% | 0.493 | 70% | 0.697 | S | S | . | * | trans | -112.9 | 59.6 | -174.1 | -68.4 | -173.4 | 170.5 | 0 | 0 | 113.1 | L420 M455 | L420-M423 PolarHBondContact O-N 3.16Å; M423-M455 HydrophobicContact SD-CE 4.48Å; M423-M455 HydrophobicContact SD-SD 4.21Å | ||
| 424 | K | 31.8 | Very low | 36.6 | Very low | 192 Ų | 192 | 130 Ų | 130 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | trans | -122.1 | 91 | 162.6 | -86.1 | -169.2 | 172 | -174 | 0 | 110.6 | ||||
| 425 | N | 31.6 | Very low | 36.7 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 174.9 | 117 | 140.2 | -89.3 | -15.1 | 0 | 0 | 0 | 110.8 | ||
| 426 | G | 32.1 | Very low | 36.7 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 92% | 0.918 | 73% | 0.727 | S | S | * | * | trans | 60 | 113.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 427 | G | 30.4 | Very low | 37 | Very low | 64 Ų | 64 | 137.8 Ų | 137.8 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | trans | 177 | 141 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 428 | S | 31.6 | Very low | 37.4 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 151.3 | -179 | 49.2 | 0 | 0 | 0 | 0 | 113 | ||
| 429 | I | 36.6 | Very low | 37.7 | Very low | 144 Ų | 144 | 134 Ų | 134 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 127.4 | -177.3 | -58.7 | 174.6 | 0 | 0 | 0 | 110.1 | ||
| 430 | L | 36.3 | Very low | 38.2 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 138.6 | 170.8 | -80.7 | 164.6 | 0 | 0 | 0 | 111.4 | ||
| 431 | K | 36.1 | Very low | 38.8 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 88% | 0.878 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 147.2 | 167.1 | -75 | -177.3 | 175 | -178.5 | 0 | 110.5 | ||
| 432 | R | 37.1 | Very low | 39.4 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 147.2 | 173.8 | -171 | -179.7 | -177 | 167.1 | 0.7 | 110.5 | D434 | R432-D434 IonicContact NE-OD1 3.62Å; R432-D434 PolarHBondContact NE-OD1 3.21Å |
| 433 | N | 36.2 | Very low | 40.2 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | trans | -131.4 | 123.6 | 170.9 | -117.7 | -19.4 | 0 | 0 | 0 | 107.4 | K435 | N433-K435 PolarHBondContact O-N 2.83Š| ||
| 434 | D | 40.5 | Very low | 41.1 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 21.6 | -158.2 | -57.2 | -57 | 0 | 0 | 0 | 116.2 | R432 | R432-D434 IonicContact NE-OD1 3.62Å; R432-D434 PolarHBondContact NE-OD1 3.21Å |
| 435 | K | 42.6 | Very low | 41.9 | Very low | 188 Ų | 188 | 121 Ų | 121 | 82% | 0.817 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -2.4 | -176.5 | -71 | -166.4 | 174.1 | -174.3 | 0 | 115.8 | N433 | N433-K435 PolarHBondContact O-N 2.83Š|
| 436 | Y | 41 | Very low | 43 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 57% | 0.573 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -139.8 | 148.5 | -176 | -59.3 | -68 | 0 | 0 | 0 | 112.9 | S441 | Y436-S441 WeakPolarHBondContact CB-OG 3.4Š|
| 437 | S | 49.2 | Very low | 44 | Very low | 60 Ų | 60 | 123.8 Ų | 123.8 | 42% | 0.42 | 63% | 0.627 | S | S | . | * | trans | -70.4 | 160.9 | 169.1 | 77.9 | 0 | 0 | 0 | 0 | 111.1 | E439 Q440 S441 | S437-E439 PolarHBondContact O-N 2.86Å; S437-Q440 PolarHBondContact O-N 3.34Å; S437-Q440 VanDerWaalsContact OG-CB 3.29Å; S437-Q440 WeakPolarHBondContact OG-CB 3.35Å; S437-Q440 PolarHBondContact OG-N 2.94Å; S437-S441 WeakPolarHBondContact O-CB 3.49Å; S437-S441 PolarHBondContact O-N 2.87Å; S437-S441 PolarHBondContact O-OG 2.9Å | ||
| 438 | V | 47.4 | Very low | 44.8 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 65% | 0.648 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.8 | -45.7 | -179 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | Q440 S441 L442 | V438-Q440 VanDerWaalsContact C-N 3.33Å; V438-Q440 PolarHBondContact O-N 3.36Å; V438-S441 PolarHBondContact O-N 2.84Å; V438-L442 HydrophobicContact CG1-CD1 4.03Å; V438-L442 WeakPolarHBondContact O-CB 3.09Å; V438-L442 VanDerWaalsContact O-CG 3.32Å; V438-L442 WeakPolarHBondContact O-CG 3.08Å; V438-L442 PolarHBondContact O-N 3.28Å |
| 439 | E | 45 | Very low | 45.3 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.1 | -37.9 | 178.4 | -170.2 | -174.6 | -178.2 | 0 | 0 | 112.4 | S437 L442 R443 | S437-E439 PolarHBondContact O-N 2.86Å; E439-L442 PolarHBondContact O-N 3.48Å; E439-R443 WeakPolarHBondContact O-CB 2.98Å; E439-R443 WeakPolarHBondContact O-CG 3.37Å; E439-R443 PolarHBondContact O-N 3.42Å; E439-R443 IonicContact OE1-CZ 2.75Å; E439-R443 IonicContact OE1-NH1 2.65Å; E439-R443 PolarHBondContact OE1-NH1 2.98Å; E439-R443 IonicContact OE1-NH2 3.44Å; E439-R443 PolarHBondContact OE1-NH2 2.72Å; E439-R443 IonicContact OE2-NH1 2.9Å |
| 440 | Q | 49.6 | Very low | 45.5 | Very low | 108 Ų | 108 | 121 Ų | 121 | 51% | 0.505 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.1 | -33.7 | -178.1 | -155 | 160.1 | 15.6 | 0 | 0 | 111.8 | S437 V438 N444 | S437-Q440 PolarHBondContact O-N 3.34Å; S437-Q440 VanDerWaalsContact OG-CB 3.29Å; S437-Q440 WeakPolarHBondContact OG-CB 3.35Å; S437-Q440 PolarHBondContact OG-N 2.94Å; V438-Q440 VanDerWaalsContact C-N 3.33Å; V438-Q440 PolarHBondContact O-N 3.36Å; Q440-N444 WeakPolarHBondContact O-CB 3.36Å; Q440-N444 PolarHBondContact O-N 3.07Å; Q440-N444 PolarHBondContact O-ND2 2.83Å |
| 441 | S | 51.1 | Low | 45.5 | Very low | 49 Ų | 49 | 121.4 Ų | 121.4 | 34% | 0.343 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.2 | -46.6 | 168.6 | -55 | 0 | 0 | 0 | 0 | 111 | Y436 S437 V438 N444 C445 | Y436-S441 WeakPolarHBondContact CB-OG 3.4Å; S437-S441 WeakPolarHBondContact O-CB 3.49Å; S437-S441 PolarHBondContact O-N 2.87Å; S437-S441 PolarHBondContact O-OG 2.9Å; V438-S441 PolarHBondContact O-N 2.84Å; S441-N444 PolarHBondContact O-N 2.96Å; S441-C445 PolarHBondContact O-N 3.22Å; S441-C445 PolarHBondContact O-SG 2.91Å |
| 442 | L | 50.7 | Low | 45.7 | Very low | 60 Ų | 60 | 115.4 Ų | 115.4 | 31% | 0.314 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.5 | -48.8 | 175.8 | -74.5 | 166.6 | 0 | 0 | 0 | 112 | V438 E439 N444 C445 I446 I454 | V438-L442 HydrophobicContact CG1-CD1 4.03Å; V438-L442 WeakPolarHBondContact O-CB 3.09Å; V438-L442 VanDerWaalsContact O-CG 3.32Å; V438-L442 WeakPolarHBondContact O-CG 3.08Å; V438-L442 PolarHBondContact O-N 3.28Å; E439-L442 PolarHBondContact O-N 3.48Å; L442-N444 VanDerWaalsContact C-N 3.28Å; L442-N444 PolarHBondContact O-N 3Å; L442-C445 PolarHBondContact O-N 3.26Å; L442-I446 WeakPolarHBondContact O-CB 3.48Å; L442-I446 WeakPolarHBondContact O-CD1 3.49Å; L442-I446 VanDerWaalsContact O-CG1 3.24Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 2.86Å; L442-I454 HydrophobicContact CD2-CD1 3.99Å; L442-I454 HydrophobicContact CD2-CG2 4.29Å |
| 443 | R | 52.8 | Low | 45.7 | Very low | 150 Ų | 150 | 111.5 Ų | 111.5 | 57% | 0.566 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.1 | -35.5 | 177.5 | -80.5 | -174.4 | 177 | 126.1 | 10.2 | 113.2 | E439 K447 | E439-R443 WeakPolarHBondContact O-CB 2.98Å; E439-R443 WeakPolarHBondContact O-CG 3.37Å; E439-R443 PolarHBondContact O-N 3.42Å; E439-R443 IonicContact OE1-CZ 2.75Å; E439-R443 IonicContact OE1-NH1 2.65Å; E439-R443 PolarHBondContact OE1-NH1 2.98Å; E439-R443 IonicContact OE1-NH2 3.44Å; E439-R443 PolarHBondContact OE1-NH2 2.72Å; E439-R443 IonicContact OE2-NH1 2.9Å; R443-K447 PolarHBondContact O-N 3.27Å |
| 444 | N | 53.5 | Low | 46 | Very low | 81 Ų | 81 | 108.9 Ų | 108.9 | 43% | 0.433 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.3 | -45.1 | 177.6 | -72.4 | -10.5 | 0 | 0 | 0 | 111.4 | Q440 S441 L442 I446 K447 S448 | Q440-N444 WeakPolarHBondContact O-CB 3.36Å; Q440-N444 PolarHBondContact O-N 3.07Å; Q440-N444 PolarHBondContact O-ND2 2.83Å; S441-N444 PolarHBondContact O-N 2.96Å; L442-N444 VanDerWaalsContact C-N 3.28Å; L442-N444 PolarHBondContact O-N 3Å; N444-I446 PolarHBondContact O-N 3.04Å; N444-K447 PolarHBondContact O-N 2.83Å; N444-K447 VanDerWaalsContact O-N 3.15Å; N444-S448 PolarHBondContact O-N 2.99Å; N444-S448 PolarHBondContact O-OG 2.63Å |
| 445 | C | 49.2 | Very low | 46 | Very low | 62 Ų | 62 | 107.3 Ų | 107.3 | 42% | 0.419 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.6 | -40.3 | 175.2 | -70.4 | 0 | 0 | 0 | 0 | 113 | S441 L442 K447 S448 I454 | S441-C445 PolarHBondContact O-N 3.22Å; S441-C445 PolarHBondContact O-SG 2.91Å; L442-C445 PolarHBondContact O-N 3.26Å; C445-K447 PolarHBondContact O-N 2.83Å; C445-S448 PolarHBondContact O-N 3.42Å; C445-S448 VanDerWaalsContact O-N 3.09Å; C445-S448 PolarHBondContact O-OG 3.08Å; C445-I454 HydrophobicContact CB-CD1 4.5Å |
| 446 | I | 54.7 | Low | 46.1 | Very low | 125 Ų | 125 | 104.7 Ų | 104.7 | 64% | 0.641 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -26.3 | 177.4 | -70.7 | 164.6 | 0 | 0 | 0 | 111.9 | L442 N444 | L442-I446 WeakPolarHBondContact O-CB 3.48Å; L442-I446 WeakPolarHBondContact O-CD1 3.49Å; L442-I446 VanDerWaalsContact O-CG1 3.24Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 2.86Å; N444-I446 PolarHBondContact O-N 3.04Å |
| 447 | K | 52.4 | Low | 46.2 | Very low | 187 Ų | 187 | 101 Ų | 101 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -85.3 | -14.3 | 176.3 | -76.3 | -176 | 172.4 | -173.9 | 0 | 114.7 | R443 N444 C445 | R443-K447 PolarHBondContact O-N 3.27Å; N444-K447 PolarHBondContact O-N 2.83Å; N444-K447 VanDerWaalsContact O-N 3.15Å; C445-K447 PolarHBondContact O-N 2.83Å |
| 448 | S | 47.5 | Very low | 46.3 | Very low | 93 Ų | 93 | 100.9 Ų | 100.9 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -111.4 | -9.5 | -164.6 | 64.1 | 0 | 0 | 0 | 0 | 116.5 | N444 C445 | N444-S448 PolarHBondContact O-N 2.99Å; N444-S448 PolarHBondContact O-OG 2.63Å; C445-S448 PolarHBondContact O-N 3.42Å; C445-S448 VanDerWaalsContact O-N 3.09Å; C445-S448 PolarHBondContact O-OG 3.08Å |
| 449 | S | 41.4 | Very low | 46.7 | Very low | 60 Ų | 60 | 98.9 Ų | 98.9 | 42% | 0.42 | 55% | 0.548 | S | S | . | . | trans | -153.5 | 127.5 | 177.4 | 63.8 | 0 | 0 | 0 | 0 | 114 | S452 | S449-S452 PolarHBondContact OG-OG 3.23Š| ||
| 450 | S | 40.3 | Very low | 47 | Very low | 111 Ų | 111 | 100 Ų | 100 | 78% | 0.776 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -68.2 | 133.8 | 160.3 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 451 | N | 37.9 | Very low | 47 | Very low | 171 Ų | 171 | 100.3 Ų | 100.3 | 91% | 0.914 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 57.4 | 64.4 | 172.2 | -62.6 | -8.1 | 0 | 0 | 0 | 116.1 | ||
| 452 | S | 38.8 | Very low | 47.1 | Very low | 76 Ų | 76 | 103.9 Ų | 103.9 | 53% | 0.531 | 56% | 0.562 | S | S | . | * | trans | -128.8 | 130.2 | 158.2 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | S449 I454 | S449-S452 PolarHBondContact OG-OG 3.23Å; S452-I454 PolarHBondContact O-N 2.95Å | ||
| 453 | T | 38.5 | Very low | 47 | Very low | 124 Ų | 124 | 105.3 Ų | 105.3 | 76% | 0.761 | 57% | 0.566 | S | S | * | * | trans | -81.5 | 115.2 | -179.2 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | M455 | T453-M455 PolarHBondContact O-N 3.18Š| ||
| 454 | I | 42.6 | Very low | 47 | Very low | 86 Ų | 86 | 101.2 Ų | 101.2 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | trans | -74.6 | 99.2 | -178 | -55.3 | -178.7 | 0 | 0 | 0 | 110.3 | L442 C445 S452 I456 | L442-I454 HydrophobicContact CD2-CD1 3.99Å; L442-I454 HydrophobicContact CD2-CG2 4.29Å; C445-I454 HydrophobicContact CB-CD1 4.5Å; S452-I454 PolarHBondContact O-N 2.95Å; I454-I456 HydrophobicContact CG2-CG1 4.09Å; I454-I456 PolarHBondContact O-N 2.79Å | ||
| 455 | M | 39.4 | Very low | 46.8 | Very low | 100 Ų | 100 | 105.4 Ų | 105.4 | 49% | 0.493 | 57% | 0.574 | S | S | . | * | trans | -78.5 | 91 | 177.6 | -74.1 | -68.8 | -72 | 0 | 0 | 111.8 | M423 T453 S457 | M423-M455 HydrophobicContact SD-CE 4.48Å; M423-M455 HydrophobicContact SD-SD 4.21Å; T453-M455 PolarHBondContact O-N 3.18Å; M455-S457 PolarHBondContact O-N 2.93Å | ||
| 456 | I | 44.8 | Very low | 46.9 | Very low | 133 Ų | 133 | 106.3 Ų | 106.3 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | trans | -82.5 | 105 | 170.8 | -54.6 | -179 | 0 | 0 | 0 | 109.2 | I454 | I454-I456 HydrophobicContact CG2-CG1 4.09Å; I454-I456 PolarHBondContact O-N 2.79Å | ||
| 457 | S | 44.4 | Very low | 46.7 | Very low | 68 Ų | 68 | 104 Ų | 104 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -84.8 | 132.2 | 168.7 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | M455 | M455-S457 PolarHBondContact O-N 2.93Š|
| 458 | P | 49.5 | Very low | 46.7 | Very low | 58 Ų | 58 | 97.8 Ų | 97.8 | 38% | 0.377 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 138.8 | 168.1 | 25.3 | -31.5 | 0 | 0 | 0 | 109.8 | Y462 K463 | P458-Y462 HydrophobicContact CB-CD1 3.46Å; P458-Y462 VanDerWaalsContact CB-CD1 3.46Å; P458-Y462 HydrophobicContact CB-CE1 4.09Å; P458-Y462 HydrophobicContact CB-CG 4.06Å; P458-K463 HydrophobicContact CB-CG 4.3Å; P458-K463 HydrophobicContact CG-CG 4.17Å; P458-K463 WeakPolarHBondContact O-CE 3.35Å |
| 459 | S | 55.7 | Low | 47.3 | Very low | 64 Ų | 64 | 94.6 Ų | 94.6 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 157.6 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | E461 Y462 K463 | S459-E461 PolarHBondContact O-N 2.74Å; S459-Y462 WeakPolarHBondContact O-CB 3.42Å; S459-Y462 PolarHBondContact O-N 3.28Å; S459-Y462 WeakPolarHBondContact OG-CB 3.33Å; S459-Y462 PolarHBondContact OG-N 2.91Å; S459-Y462 VanDerWaalsContact OG-N 3.11Å; S459-K463 WeakPolarHBondContact O-CG 3.5Å; S459-K463 PolarHBondContact O-N 3.4Å |
| 460 | E | 53.1 | Low | 48.7 | Very low | 133 Ų | 133 | 94 Ų | 94 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -30.6 | 173.1 | -60.6 | -49.4 | 131.3 | 0 | 0 | 111.9 | K463 A464 | E460-K463 PolarHBondContact O-N 2.79Å; E460-K463 IonicContact OE1-NZ 3.86Å; E460-K463 PolarHBondContact OE1-NZ 2.86Å; E460-K463 WeakPolarHBondContact OE2-CD 3.42Å; E460-K463 IonicContact OE2-NZ 3.77Å; E460-A464 VanDerWaalsContact O-CB 3.26Å; E460-A464 WeakPolarHBondContact O-CB 3.34Å; E460-A464 PolarHBondContact O-N 3.17Å |
| 461 | E | 48.6 | Very low | 50.4 | Low | 116 Ų | 116 | 89.5 Ų | 89.5 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 171.3 | -170.8 | -171.5 | -177.5 | 0 | 0 | 112.4 | S459 A464 R465 | S459-E461 PolarHBondContact O-N 2.74Å; E461-A464 PolarHBondContact O-N 2.92Å; E461-R465 WeakPolarHBondContact O-CG 3.43Å; E461-R465 PolarHBondContact O-N 3.17Å; E461-R465 IonicContact OE1-CZ 2.96Å; E461-R465 IonicContact OE1-NE 2.66Å; E461-R465 PolarHBondContact OE1-NE 2.96Å; E461-R465 IonicContact OE1-NH2 2.68Å; E461-R465 PolarHBondContact OE1-NH2 2.86Å |
| 462 | Y | 52.8 | Low | 52.4 | Low | 124 Ų | 124 | 84.7 Ų | 84.7 | 49% | 0.486 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.2 | -176.6 | -82.7 | 0 | 0 | 0 | 111.1 | P458 S459 R465 M466 | P458-Y462 HydrophobicContact CB-CD1 3.46Å; P458-Y462 VanDerWaalsContact CB-CD1 3.46Å; P458-Y462 HydrophobicContact CB-CE1 4.09Å; P458-Y462 HydrophobicContact CB-CG 4.06Å; S459-Y462 WeakPolarHBondContact O-CB 3.42Å; S459-Y462 PolarHBondContact O-N 3.28Å; S459-Y462 WeakPolarHBondContact OG-CB 3.33Å; S459-Y462 PolarHBondContact OG-N 2.91Å; S459-Y462 VanDerWaalsContact OG-N 3.11Å; Y462-R465 PolarHBondContact O-N 2.99Å; Y462-M466 HydrophobicContact CD1-CG 3.9Å; Y462-M466 HydrophobicContact CE1-CB 4.48Å; Y462-M466 HydrophobicContact CE1-CE 4.46Å; Y462-M466 HydrophobicContact CE1-CG 3.59Å; Y462-M466 HydrophobicContact CE2-CE 4.03Å; Y462-M466 HydrophobicContact CE2-CG 4.5Å; Y462-M466 VanDerWaalsContact O-CB 3.3Å; Y462-M466 WeakPolarHBondContact O-CB 3.43Å; Y462-M466 VanDerWaalsContact O-CG 3.31Å; Y462-M466 WeakPolarHBondContact O-CG 3.36Å; Y462-M466 PolarHBondContact O-N 3.46Å |
| 463 | K | 49.2 | Very low | 54.3 | Low | 89 Ų | 89 | 85.2 Ų | 85.2 | 39% | 0.387 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.5 | -67.6 | 173.1 | -172.8 | 170.7 | 0 | 111.7 | P458 S459 E460 M466 A467 | P458-K463 HydrophobicContact CB-CG 4.3Å; P458-K463 HydrophobicContact CG-CG 4.17Å; P458-K463 WeakPolarHBondContact O-CE 3.35Å; S459-K463 WeakPolarHBondContact O-CG 3.5Å; S459-K463 PolarHBondContact O-N 3.4Å; E460-K463 PolarHBondContact O-N 2.79Å; E460-K463 IonicContact OE1-NZ 3.86Å; E460-K463 PolarHBondContact OE1-NZ 2.86Å; E460-K463 WeakPolarHBondContact OE2-CD 3.42Å; E460-K463 IonicContact OE2-NZ 3.77Å; K463-M466 PolarHBondContact O-N 3.26Å; K463-A467 WeakPolarHBondContact O-CB 3.37Å; K463-A467 PolarHBondContact O-N 2.79Å |
| 464 | A | 53.1 | Low | 56.2 | Low | 65 Ų | 65 | 81.1 Ų | 81.1 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E460 E461 M466 A467 G468 | E460-A464 VanDerWaalsContact O-CB 3.26Å; E460-A464 WeakPolarHBondContact O-CB 3.34Å; E460-A464 PolarHBondContact O-N 3.17Å; E461-A464 PolarHBondContact O-N 2.92Å; A464-M466 PolarHBondContact O-N 3Å; A464-A467 PolarHBondContact O-N 3.11Å; A464-G468 PolarHBondContact O-N 3.02Å |
| 465 | R | 49 | Very low | 58.1 | Low | 169 Ų | 169 | 77.1 Ų | 77.1 | 64% | 0.638 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.8 | -46.4 | 175 | -67.8 | -178.2 | -169.2 | -152.1 | 5.7 | 111.4 | E461 Y462 A467 G468 A469 | E461-R465 WeakPolarHBondContact O-CG 3.43Å; E461-R465 PolarHBondContact O-N 3.17Å; E461-R465 IonicContact OE1-CZ 2.96Å; E461-R465 IonicContact OE1-NE 2.66Å; E461-R465 PolarHBondContact OE1-NE 2.96Å; E461-R465 IonicContact OE1-NH2 2.68Å; E461-R465 PolarHBondContact OE1-NH2 2.86Å; Y462-R465 PolarHBondContact O-N 2.99Å; R465-A467 PolarHBondContact O-N 2.93Å; R465-G468 PolarHBondContact O-N 2.92Å; R465-A469 WeakPolarHBondContact O-CB 3.43Å; R465-A469 PolarHBondContact O-N 3.12Å |
| 466 | M | 50.9 | Low | 60.2 | Low | 80 Ų | 80 | 74.2 Ų | 74.2 | 39% | 0.394 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.9 | -18.5 | -179.8 | -69.9 | -63.9 | 175.7 | 0 | 0 | 114.9 | F409 Y462 K463 A464 | F409-M466 WeakPolarHBondContact CE1-O 3.13Å; Y462-M466 HydrophobicContact CD1-CG 3.9Å; Y462-M466 HydrophobicContact CE1-CB 4.48Å; Y462-M466 HydrophobicContact CE1-CE 4.46Å; Y462-M466 HydrophobicContact CE1-CG 3.59Å; Y462-M466 HydrophobicContact CE2-CE 4.03Å; Y462-M466 HydrophobicContact CE2-CG 4.5Å; Y462-M466 VanDerWaalsContact O-CB 3.3Å; Y462-M466 WeakPolarHBondContact O-CB 3.43Å; Y462-M466 VanDerWaalsContact O-CG 3.31Å; Y462-M466 WeakPolarHBondContact O-CG 3.36Å; Y462-M466 PolarHBondContact O-N 3.46Å; K463-M466 PolarHBondContact O-N 3.26Å; A464-M466 PolarHBondContact O-N 3Å |
| 467 | A | 50.4 | Low | 62 | Low | 77 Ų | 77 | 71.9 Ų | 71.9 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -84.5 | -20.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K463 A464 R465 | K463-A467 WeakPolarHBondContact O-CB 3.37Å; K463-A467 PolarHBondContact O-N 2.79Å; A464-A467 PolarHBondContact O-N 3.11Å; R465-A467 PolarHBondContact O-N 2.93Å |
| 468 | G | 54.1 | Low | 63.9 | Low | 57 Ų | 57 | 69.7 Ų | 69.7 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -128.8 | 1.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A464 R465 S470 | A464-G468 PolarHBondContact O-N 3.02Å; R465-G468 PolarHBondContact O-N 2.92Å; G468-S470 PolarHBondContact O-N 3.33Å; G468-S470 VanDerWaalsContact O-N 3.16Å |
| 469 | A | 58.7 | Low | 65.7 | Low | 26 Ų | 26 | 67 Ų | 67 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | trans | -49.6 | 119 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F409 R465 D473 | F409-A469 HydrophobicContact CE2-CB 4.32Å; F409-A469 VanDerWaalsContact CE2-O 3.27Å; F409-A469 WeakPolarHBondContact CE2-O 3.43Å; F409-A469 HydrophobicContact CZ-CB 4.43Å; R465-A469 WeakPolarHBondContact O-CB 3.43Å; R465-A469 PolarHBondContact O-N 3.12Å; A469-D473 HydrophobicContact CB-CB 4.35Å | ||
| 470 | S | 71.7 | Confident | 67.1 | Low | 47 Ų | 47 | 64.4 Ų | 64.4 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | trans | -76.3 | 170.6 | 177 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | G468 E472 D473 I474 | G468-S470 PolarHBondContact O-N 3.33Å; G468-S470 VanDerWaalsContact O-N 3.16Å; S470-E472 PolarHBondContact O-N 2.92Å; S470-E472 WeakPolarHBondContact OG-CB 3.17Å; S470-E472 PolarHBondContact OG-N 2.86Å; S470-D473 WeakPolarHBondContact CB-OD2 3.47Å; S470-D473 PolarHBondContact N-OD2 3.27Å; S470-D473 PolarHBondContact O-N 3.02Å; S470-D473 PolarHBondContact OG-N 2.98Å; S470-D473 PolarHBondContact OG-OD2 2.85Å; S470-I474 WeakPolarHBondContact O-CG1 3.46Å; S470-I474 PolarHBondContact O-N 2.8Å | ||
| 471 | E | 75.7 | Confident | 68.7 | Low | 17 Ų | 17 | 64.2 Ų | 64.2 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -29.4 | 167.8 | -178.6 | 173.7 | -90.3 | 0 | 0 | 111.3 | I229 L230 K397 S403 F404 V475 | I229-E471 HydrophobicContact CG1-CG 4.26Å; L230-E471 HydrophobicContact CB-CB 4.3Å; L230-E471 HydrophobicContact CB-CG 4.38Å; L230-E471 HydrophobicContact CD1-CB 4.05Å; L230-E471 PolarHBondContact N-OE2 2.93Å; K397-E471 WeakPolarHBondContact CE-OE1 3.47Å; K397-E471 IonicContact NZ-OE1 3.91Å; K397-E471 PolarHBondContact NZ-OE1 3.09Å; K397-E471 IonicContact NZ-OE2 3.49Å; K397-E471 PolarHBondContact NZ-OE2 3.46Å; S403-E471 WeakPolarHBondContact CB-OE1 3.48Å; F404-E471 HydrophobicContact CB-CG 4.39Å; F404-E471 HydrophobicContact CD2-CG 4.47Å; F404-E471 PolarHBondContact N-OE1 3.28Å; E471-V475 HydrophobicContact CG-CG2 4.48Å; E471-V475 WeakPolarHBondContact O-CB 3.42Å; E471-V475 WeakPolarHBondContact O-CG2 3.49Å; E471-V475 PolarHBondContact O-N 3.21Å |
| 472 | E | 80.7 | Confident | 70.6 | Confident | 69 Ų | 69 | 60 Ų | 60 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69 | -43.7 | 177.4 | -174.9 | 157 | 175.2 | 0 | 0 | 112.4 | L230 S470 I474 V475 Y476 | L230-E472 HydrophobicContact CB-CB 4.12Å; S470-E472 PolarHBondContact O-N 2.92Å; S470-E472 WeakPolarHBondContact OG-CB 3.17Å; S470-E472 PolarHBondContact OG-N 2.86Å; E472-I474 VanDerWaalsContact C-N 3.32Å; E472-I474 PolarHBondContact O-N 3.45Å; E472-V475 PolarHBondContact O-N 2.92Å; E472-Y476 HydrophobicContact CG-CD2 3.79Å; E472-Y476 HydrophobicContact CG-CE1 4.44Å; E472-Y476 HydrophobicContact CG-CE2 3.2Å; E472-Y476 WeakPolarHBondContact O-CD2 3.22Å; E472-Y476 PolarHBondContact O-N 2.78Å; E472-Y476 VanDerWaalsContact OE1-CE2 3.22Å; E472-Y476 WeakPolarHBondContact OE1-CE2 3.45Å; E472-Y476 VanDerWaalsContact OE1-CZ 3.24Å; E472-Y476 PolarHBondContact OE1-OH 3.16Å |
| 473 | D | 77.2 | Confident | 72.3 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.1 | -64.9 | -71.2 | 0 | 0 | 0 | 111.9 | A469 S470 S477 | A469-D473 HydrophobicContact CB-CB 4.35Å; S470-D473 WeakPolarHBondContact CB-OD2 3.47Å; S470-D473 PolarHBondContact N-OD2 3.27Å; S470-D473 PolarHBondContact O-N 3.02Å; S470-D473 PolarHBondContact OG-N 2.98Å; S470-D473 PolarHBondContact OG-OD2 2.85Å; D473-S477 VanDerWaalsContact O-CB 3.22Å; D473-S477 WeakPolarHBondContact O-CB 3.4Å; D473-S477 PolarHBondContact O-N 3.23Å |
| 474 | I | 78.3 | Confident | 74.1 | Confident | 38 Ų | 38 | 53 Ų | 53 | 20% | 0.195 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 177.2 | -62.7 | 165.7 | 0 | 0 | 0 | 110.2 | F404 T408 S470 E472 S477 G478 | F404-I474 HydrophobicContact CB-CD1 4.25Å; F404-I474 HydrophobicContact CB-CG2 4.16Å; T408-I474 HydrophobicContact CG2-CD1 4.22Å; T408-I474 WeakPolarHBondContact OG1-CD1 3.29Å; S470-I474 WeakPolarHBondContact O-CG1 3.46Å; S470-I474 PolarHBondContact O-N 2.8Å; E472-I474 VanDerWaalsContact C-N 3.32Å; E472-I474 PolarHBondContact O-N 3.45Å; I474-S477 PolarHBondContact O-N 3.02Å; I474-G478 PolarHBondContact O-N 2.92Å |
| 475 | V | 83.5 | Confident | 75.8 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 177.6 | 163.1 | 0 | 0 | 0 | 0 | 111.9 | I229 V390 F393 E471 E472 L479 | I229-V475 HydrophobicContact CD1-CG2 3.43Å; I229-V475 VanDerWaalsContact CD1-CG2 3.43Å; I229-V475 HydrophobicContact CG1-CG2 3.79Å; V390-V475 HydrophobicContact CB-CG1 4.28Å; V390-V475 HydrophobicContact CG1-CG1 3.66Å; V390-V475 HydrophobicContact CG2-CG1 3.6Å; F393-V475 HydrophobicContact CD2-CG1 4.45Å; F393-V475 HydrophobicContact CD2-CG2 4.49Å; E471-V475 HydrophobicContact CG-CG2 4.48Å; E471-V475 WeakPolarHBondContact O-CB 3.42Å; E471-V475 WeakPolarHBondContact O-CG2 3.49Å; E471-V475 PolarHBondContact O-N 3.21Å; E472-V475 PolarHBondContact O-N 2.92Å; V475-L479 WeakPolarHBondContact O-CB 3.5Å; V475-L479 PolarHBondContact O-N 2.9Å |
| 476 | Y | 83.6 | Confident | 77.9 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 178 | -65.9 | -29 | 0 | 0 | 0 | 112.9 | G231 M238 E472 L479 A480 | G231-Y476 WeakPolarHBondContact CA-OH 3.49Å; G231-Y476 WeakPolarHBondContact O-CE1 3.23Å; M238-Y476 HydrophobicContact CE-CD1 4.05Å; M238-Y476 HydrophobicContact CE-CD2 3.81Å; M238-Y476 HydrophobicContact CE-CE1 4.09Å; M238-Y476 HydrophobicContact CE-CE2 3.84Å; M238-Y476 HydrophobicContact CE-CG 3.93Å; M238-Y476 HydrophobicContact SD-CD1 3.5Å; M238-Y476 VanDerWaalsContact SD-CD1 3.5Å; M238-Y476 HydrophobicContact SD-CD2 3.95Å; M238-Y476 HydrophobicContact SD-CE1 4.08Å; M238-Y476 HydrophobicContact SD-CE2 4.46Å; M238-Y476 HydrophobicContact SD-CG 3.45Å; E472-Y476 HydrophobicContact CG-CD2 3.79Å; E472-Y476 HydrophobicContact CG-CE1 4.44Å; E472-Y476 HydrophobicContact CG-CE2 3.2Å; E472-Y476 WeakPolarHBondContact O-CD2 3.22Å; E472-Y476 PolarHBondContact O-N 2.78Å; E472-Y476 VanDerWaalsContact OE1-CE2 3.22Å; E472-Y476 WeakPolarHBondContact OE1-CE2 3.45Å; E472-Y476 VanDerWaalsContact OE1-CZ 3.24Å; E472-Y476 PolarHBondContact OE1-OH 3.16Å; Y476-L479 HydrophobicContact CD1-CD2 4.45Å; Y476-L479 PolarHBondContact O-N 2.7Å; Y476-A480 WeakPolarHBondContact O-CB 3.47Å; Y476-A480 PolarHBondContact O-N 3.46Å |
| 477 | S | 82.7 | Confident | 79.8 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 58% | 0.58 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.3 | -49 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | D473 I474 L479 A480 Y481 | D473-S477 VanDerWaalsContact O-CB 3.22Å; D473-S477 WeakPolarHBondContact O-CB 3.4Å; D473-S477 PolarHBondContact O-N 3.23Å; I474-S477 PolarHBondContact O-N 3.02Å; S477-L479 PolarHBondContact O-N 3.16Å; S477-A480 PolarHBondContact O-N 3.12Å; S477-Y481 PolarHBondContact O-N 2.96Å |
| 478 | G | 84.4 | Confident | 81.8 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 24% | 0.237 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I474 Y481 T482 | I474-G478 PolarHBondContact O-N 2.92Å; G478-Y481 PolarHBondContact O-N 3.2Å; G478-T482 WeakPolarHBondContact O-CB 3.45Å; G478-T482 PolarHBondContact O-N 2.91Å; G478-T482 PolarHBondContact O-OG1 3.08Å |
| 479 | L | 85.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 174.8 | 171.3 | 62 | 0 | 0 | 0 | 111.4 | A235 M238 T389 V390 V475 Y476 S477 T482 M483 | A235-L479 HydrophobicContact CB-CD2 4.3Å; A235-L479 WeakPolarHBondContact O-CD2 3.43Å; M238-L479 HydrophobicContact CB-CD2 4.25Å; M238-L479 HydrophobicContact CG-CD2 4.47Å; T389-L479 HydrophobicContact CG2-CD1 4.01Å; V390-L479 HydrophobicContact CG2-CB 4.42Å; V390-L479 HydrophobicContact CG2-CD2 4.33Å; V475-L479 WeakPolarHBondContact O-CB 3.5Å; V475-L479 PolarHBondContact O-N 2.9Å; Y476-L479 HydrophobicContact CD1-CD2 4.45Å; Y476-L479 PolarHBondContact O-N 2.7Å; S477-L479 PolarHBondContact O-N 3.16Å; L479-T482 PolarHBondContact O-N 3.39Å; L479-M483 HydrophobicContact CD1-CG 3.88Å; L479-M483 HydrophobicContact CD1-SD 4.41Å; L479-M483 HydrophobicContact CG-CG 4.49Å; L479-M483 VanDerWaalsContact O-CG 3.32Å; L479-M483 WeakPolarHBondContact O-CG 3.11Å; L479-M483 PolarHBondContact O-N 2.95Å |
| 480 | A | 85.4 | Confident | 85.2 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K242 Y476 S477 T482 M483 E484 | K242-A480 HydrophobicContact CD-CB 3.88Å; K242-A480 HydrophobicContact CG-CB 4.05Å; Y476-A480 WeakPolarHBondContact O-CB 3.47Å; Y476-A480 PolarHBondContact O-N 3.46Å; S477-A480 PolarHBondContact O-N 3.12Å; A480-T482 VanDerWaalsContact C-N 3.35Å; A480-T482 PolarHBondContact O-N 2.88Å; A480-M483 PolarHBondContact O-N 3.03Å; A480-E484 WeakPolarHBondContact O-CB 2.74Å; A480-E484 VanDerWaalsContact O-CG 3.3Å; A480-E484 WeakPolarHBondContact O-CG 3.27Å; A480-E484 PolarHBondContact O-N 3.35Å |
| 481 | Y | 87.7 | Confident | 86.1 | Confident | 130 Ų | 130 | 42.2 Ų | 42.2 | 51% | 0.51 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.5 | -46.4 | 176.3 | 174.7 | -94.1 | 0 | 0 | 0 | 112.7 | S477 G478 R485 | S477-Y481 PolarHBondContact O-N 2.96Å; G478-Y481 PolarHBondContact O-N 3.2Å; Y481-R485 VanDerWaalsContact O-CB 3.26Å; Y481-R485 WeakPolarHBondContact O-CB 3.45Å; Y481-R485 PolarHBondContact O-N 3.48Å; Y481-R485 PolarHBondContact OH-NH1 3.44Å |
| 482 | T | 88.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 178.3 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | V139 T389 G478 L479 A480 S486 | V139-T482 HydrophobicContact CB-CG2 4.06Å; V139-T482 WeakPolarHBondContact O-CG2 3.45Å; T389-T482 HydrophobicContact CG2-CG2 3.76Å; G478-T482 WeakPolarHBondContact O-CB 3.45Å; G478-T482 PolarHBondContact O-N 2.91Å; G478-T482 PolarHBondContact O-OG1 3.08Å; L479-T482 PolarHBondContact O-N 3.39Å; A480-T482 VanDerWaalsContact C-N 3.35Å; A480-T482 PolarHBondContact O-N 2.88Å; T482-S486 VanDerWaalsContact O-CB 3.24Å; T482-S486 WeakPolarHBondContact O-CB 3.39Å; T482-S486 PolarHBondContact O-N 3.36Å; T482-S486 VanDerWaalsContact O-N 3.14Å; T482-S486 PolarHBondContact O-OG 2.8Å |
| 483 | M | 88.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -47.9 | 177.9 | -65.1 | -53.8 | -75.2 | 0 | 0 | 111.1 | V139 G239 K242 F382 L479 A480 R485 S486 A487 | V139-M483 HydrophobicContact CG1-SD 4.05Å; G239-M483 VanDerWaalsContact O-CE 3.31Å; G239-M483 WeakPolarHBondContact O-CE 3.31Å; K242-M483 HydrophobicContact CB-CB 4.1Å; K242-M483 HydrophobicContact CB-CG 4.43Å; F382-M483 HydrophobicContact CD2-CE 3.95Å; F382-M483 HydrophobicContact CE1-CE 4.23Å; F382-M483 HydrophobicContact CE2-CE 3.39Å; F382-M483 HydrophobicContact CE2-SD 3.88Å; F382-M483 HydrophobicContact CZ-CB 4.31Å; F382-M483 HydrophobicContact CZ-CE 3.55Å; F382-M483 VanDerWaalsContact CZ-O 3.3Å; F382-M483 WeakPolarHBondContact CZ-O 3.46Å; F382-M483 HydrophobicContact CZ-SD 4.38Å; F382-M483 WeakPolarHBondContact O-CE 3.19Å; L479-M483 HydrophobicContact CD1-CG 3.88Å; L479-M483 HydrophobicContact CD1-SD 4.41Å; L479-M483 HydrophobicContact CG-CG 4.49Å; L479-M483 VanDerWaalsContact O-CG 3.32Å; L479-M483 WeakPolarHBondContact O-CG 3.11Å; L479-M483 PolarHBondContact O-N 2.95Å; A480-M483 PolarHBondContact O-N 3.03Å; M483-R485 PolarHBondContact O-N 3.14Å; M483-S486 PolarHBondContact O-N 3.29Å; M483-S486 VanDerWaalsContact O-N 3.13Å; M483-A487 PolarHBondContact O-N 3.35Å |
| 484 | E | 88.1 | Confident | 88 | Confident | 66 Ų | 66 | 41.5 Ų | 41.5 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.9 | -46.6 | -179.2 | -72.8 | 175.5 | -140.7 | 0 | 0 | 112.9 | V246 A480 S486 A487 K488 | V246-E484 HydrophobicContact CG2-CB 4.14Å; V246-E484 HydrophobicContact CG2-CG 3.76Å; A480-E484 WeakPolarHBondContact O-CB 2.74Å; A480-E484 VanDerWaalsContact O-CG 3.3Å; A480-E484 WeakPolarHBondContact O-CG 3.27Å; A480-E484 PolarHBondContact O-N 3.35Å; E484-S486 PolarHBondContact O-N 3.3Å; E484-A487 PolarHBondContact O-N 3.04Å; E484-K488 WeakPolarHBondContact O-CB 3.41Å; E484-K488 WeakPolarHBondContact O-CD 3.41Å; E484-K488 VanDerWaalsContact O-CG 3.28Å; E484-K488 WeakPolarHBondContact O-CG 3.45Å; E484-K488 PolarHBondContact O-N 3.36Å; E484-K488 IonicContact OE2-NZ 2.7Å |
| 485 | R | 88.6 | Confident | 88.5 | Confident | 120 Ų | 120 | 43.2 Ų | 43.2 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -35 | 176.8 | 178.7 | 171 | 165.2 | 173.2 | -10.1 | 111.3 | D140 Y481 M483 N489 | D140-R485 IonicContact OD2-NH2 2.74Å; Y481-R485 VanDerWaalsContact O-CB 3.26Å; Y481-R485 WeakPolarHBondContact O-CB 3.45Å; Y481-R485 PolarHBondContact O-N 3.48Å; Y481-R485 PolarHBondContact OH-NH1 3.44Å; M483-R485 PolarHBondContact O-N 3.14Å; R485-N489 PolarHBondContact O-N 2.61Å; R485-N489 VanDerWaalsContact O-N 3.09Å; R485-N489 PolarHBondContact O-ND2 2.63Å; R485-N489 VanDerWaalsContact O-ND2 3.14Å; R485-N489 PolarHBondContact O-OD1 3.05Å |
| 486 | S | 92.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -77.9 | -38.9 | -178.9 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | V139 T482 M483 E484 K488 N489 I490 | V139-S486 WeakPolarHBondContact CA-OG 3.27Å; T482-S486 VanDerWaalsContact O-CB 3.24Å; T482-S486 WeakPolarHBondContact O-CB 3.39Å; T482-S486 PolarHBondContact O-N 3.36Å; T482-S486 VanDerWaalsContact O-N 3.14Å; T482-S486 PolarHBondContact O-OG 2.8Å; M483-S486 PolarHBondContact O-N 3.29Å; M483-S486 VanDerWaalsContact O-N 3.13Å; E484-S486 PolarHBondContact O-N 3.3Å; S486-K488 VanDerWaalsContact C-N 3.31Å; S486-K488 PolarHBondContact O-N 2.99Å; S486-N489 WeakPolarHBondContact O-CB 3.46Å; S486-N489 PolarHBondContact O-N 3.25Å; S486-N489 VanDerWaalsContact O-N 3.17Å; S486-I490 WeakPolarHBondContact O-CG1 3.15Å; S486-I490 PolarHBondContact O-N 3.19Å |
| 487 | A | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V246 F247 F382 M483 E484 N489 I490 L491 | V246-A487 HydrophobicContact CB-CB 3.77Å; V246-A487 HydrophobicContact CG1-CB 3.69Å; V246-A487 HydrophobicContact CG2-CB 4.38Å; F247-A487 HydrophobicContact CE1-CB 4.18Å; F247-A487 HydrophobicContact CE2-CB 4.39Å; F247-A487 HydrophobicContact CZ-CB 3.97Å; F382-A487 HydrophobicContact CE1-CB 3.88Å; F382-A487 HydrophobicContact CZ-CB 3.81Å; M483-A487 PolarHBondContact O-N 3.35Å; E484-A487 PolarHBondContact O-N 3.04Å; A487-N489 VanDerWaalsContact C-N 3.33Å; A487-N489 PolarHBondContact O-N 2.68Å; A487-I490 WeakPolarHBondContact O-CB 3.08Å; A487-I490 PolarHBondContact O-N 3.48Å; A487-I490 VanDerWaalsContact O-N 3.1Å; A487-L491 PolarHBondContact O-N 3.45Å |
| 488 | K | 91 | Very high | 89.5 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 174.5 | -71.5 | 161 | -173.2 | 161.4 | 0 | 112.2 | V246 E484 S486 Q492 | V246-K488 HydrophobicContact CG1-CG 4.25Å; E484-K488 WeakPolarHBondContact O-CB 3.41Å; E484-K488 WeakPolarHBondContact O-CD 3.41Å; E484-K488 VanDerWaalsContact O-CG 3.28Å; E484-K488 WeakPolarHBondContact O-CG 3.45Å; E484-K488 PolarHBondContact O-N 3.36Å; E484-K488 IonicContact OE2-NZ 2.7Å; S486-K488 VanDerWaalsContact C-N 3.31Å; S486-K488 PolarHBondContact O-N 2.99Å; K488-Q492 WeakPolarHBondContact O-CG 3.19Å; K488-Q492 PolarHBondContact O-N 3.42Å |
| 489 | N | 91.7 | Very high | 89.6 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 171.8 | -62.6 | -34.6 | 0 | 0 | 0 | 112.6 | R485 S486 A487 Q492 A493 T510 | R485-N489 PolarHBondContact O-N 2.61Å; R485-N489 VanDerWaalsContact O-N 3.09Å; R485-N489 PolarHBondContact O-ND2 2.63Å; R485-N489 VanDerWaalsContact O-ND2 3.14Å; R485-N489 PolarHBondContact O-OD1 3.05Å; S486-N489 WeakPolarHBondContact O-CB 3.46Å; S486-N489 PolarHBondContact O-N 3.25Å; S486-N489 VanDerWaalsContact O-N 3.17Å; A487-N489 VanDerWaalsContact C-N 3.33Å; A487-N489 PolarHBondContact O-N 2.68Å; N489-Q492 PolarHBondContact O-N 3.03Å; N489-A493 PolarHBondContact O-N 2.96Å; N489-T510 HydrophobicContact CB-CG2 4.15Å |
| 490 | I | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 177.7 | -66.3 | 166.2 | 0 | 0 | 0 | 110.4 | V138 F247 F382 S486 A487 Q492 A493 V494 L503 A506 A507 | V138-I490 HydrophobicContact CG2-CD1 3.94Å; V138-I490 HydrophobicContact CG2-CG1 4.1Å; F247-I490 HydrophobicContact CE1-CB 4.46Å; F247-I490 HydrophobicContact CE1-CG2 4.24Å; F247-I490 HydrophobicContact CZ-CB 4.34Å; F247-I490 HydrophobicContact CZ-CD1 4.24Å; F247-I490 HydrophobicContact CZ-CG2 4.17Å; F382-I490 HydrophobicContact CB-CD1 3.8Å; F382-I490 HydrophobicContact CD1-CD1 3.77Å; F382-I490 HydrophobicContact CD2-CD1 4.02Å; F382-I490 HydrophobicContact CE1-CD1 4.4Å; F382-I490 HydrophobicContact CG-CD1 3.55Å; S486-I490 WeakPolarHBondContact O-CG1 3.15Å; S486-I490 PolarHBondContact O-N 3.19Å; A487-I490 WeakPolarHBondContact O-CB 3.08Å; A487-I490 PolarHBondContact O-N 3.48Å; A487-I490 VanDerWaalsContact O-N 3.1Å; I490-Q492 VanDerWaalsContact C-N 3.34Å; I490-Q492 PolarHBondContact O-N 3.02Å; I490-A493 WeakPolarHBondContact O-CB 3.32Å; I490-A493 PolarHBondContact O-N 2.87Å; I490-A493 VanDerWaalsContact O-N 3.15Å; I490-V494 WeakPolarHBondContact O-CG2 3.48Å; I490-V494 PolarHBondContact O-N 3.29Å; I490-L503 HydrophobicContact CG2-CD2 4.19Å; I490-A506 HydrophobicContact CG2-CB 3.81Å; I490-A507 HydrophobicContact CD1-CB 4.07Å; I490-A507 HydrophobicContact CG1-CB 4.39Å |
| 491 | L | 91.4 | Very high | 89.5 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 173.4 | -68.8 | 170.1 | 0 | 0 | 0 | 112.1 | V246 F247 L253 A487 A493 V494 A495 L503 | V246-L491 HydrophobicContact CG1-CD1 4.41Å; F247-L491 HydrophobicContact CD1-CD1 4.41Å; F247-L491 HydrophobicContact CD1-CD2 4.06Å; F247-L491 HydrophobicContact CD1-CG 4.2Å; F247-L491 HydrophobicContact CE1-CD2 4.19Å; F247-L491 HydrophobicContact CE1-CG 4.05Å; L253-L491 HydrophobicContact CD2-CD2 4.43Å; A487-L491 PolarHBondContact O-N 3.45Å; L491-A493 PolarHBondContact O-N 3.06Å; L491-V494 WeakPolarHBondContact O-CB 3.42Å; L491-V494 PolarHBondContact O-N 2.94Å; L491-A495 PolarHBondContact O-N 3.39Å; L491-L503 HydrophobicContact CD2-CD2 4.47Å |
| 492 | Q | 91.4 | Very high | 89.5 | Confident | 129 Ų | 129 | 51.5 Ų | 51.5 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 171.8 | -74.1 | 175.8 | 8.6 | 0 | 0 | 112.5 | K488 N489 I490 A495 K496 | K488-Q492 WeakPolarHBondContact O-CG 3.19Å; K488-Q492 PolarHBondContact O-N 3.42Å; N489-Q492 PolarHBondContact O-N 3.03Å; I490-Q492 VanDerWaalsContact C-N 3.34Å; I490-Q492 PolarHBondContact O-N 3.02Å; Q492-A495 PolarHBondContact O-N 2.98Å; Q492-K496 VanDerWaalsContact O-CB 3.27Å; Q492-K496 WeakPolarHBondContact O-CB 3.14Å; Q492-K496 PolarHBondContact O-N 3.22Å |
| 493 | A | 90.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N489 I490 L491 A495 K496 Y497 A506 V509 T510 | N489-A493 PolarHBondContact O-N 2.96Å; I490-A493 WeakPolarHBondContact O-CB 3.32Å; I490-A493 PolarHBondContact O-N 2.87Å; I490-A493 VanDerWaalsContact O-N 3.15Å; L491-A493 PolarHBondContact O-N 3.06Å; A493-A495 VanDerWaalsContact C-N 3.29Å; A493-A495 PolarHBondContact O-N 3.22Å; A493-K496 PolarHBondContact O-N 2.69Å; A493-Y497 HydrophobicContact CB-CD2 4.35Å; A493-Y497 WeakPolarHBondContact O-CB 3.33Å; A493-Y497 WeakPolarHBondContact O-CD2 3.26Å; A493-Y497 PolarHBondContact O-N 2.9Å; A493-A506 HydrophobicContact CB-CB 4.45Å; A493-V509 HydrophobicContact CB-CG1 4.32Å; A493-T510 WeakPolarHBondContact CB-OG1 3.45Å |
| 494 | V | 90.3 | Very high | 89.8 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.7 | -47.3 | 170.8 | 165.6 | 0 | 0 | 0 | 0 | 111 | I490 L491 K498 L499 G500 L503 A506 | I490-V494 WeakPolarHBondContact O-CG2 3.48Å; I490-V494 PolarHBondContact O-N 3.29Å; L491-V494 WeakPolarHBondContact O-CB 3.42Å; L491-V494 PolarHBondContact O-N 2.94Å; V494-K498 CarbonylContact O-C 3.51Å; V494-K498 VanDerWaalsContact O-CA 3.27Å; V494-K498 WeakPolarHBondContact O-CA 3.26Å; V494-K498 PolarHBondContact O-N 2.92Å; V494-L499 PolarHBondContact O-N 2.91Å; V494-G500 WeakPolarHBondContact CG1-O 3.29Å; V494-L503 HydrophobicContact CG2-CD2 4.1Å; V494-A506 HydrophobicContact CG2-CB 3.52Å |
| 495 | A | 89.7 | Confident | 89.9 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.7 | -48.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L491 Q492 A493 Y497 K498 | L491-A495 PolarHBondContact O-N 3.39Å; Q492-A495 PolarHBondContact O-N 2.98Å; A493-A495 VanDerWaalsContact C-N 3.29Å; A493-A495 PolarHBondContact O-N 3.22Å; A495-Y497 VanDerWaalsContact C-N 3.32Å; A495-Y497 PolarHBondContact O-N 3.43Å; A495-K498 PolarHBondContact O-N 3.38Å |
| 496 | K | 89.9 | Confident | 90.1 | Very high | 99 Ų | 99 | 42.7 Ų | 42.7 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.8 | -42 | -179.5 | -179 | 177.5 | 176.3 | -172 | 0 | 112 | E51 Q492 A493 E513 | E51-K496 IonicContact OE1-NZ 2.7Å; E51-K496 PolarHBondContact OE1-NZ 3.47Å; E51-K496 VanDerWaalsContact OE1-NZ 3.16Å; Q492-K496 VanDerWaalsContact O-CB 3.27Å; Q492-K496 WeakPolarHBondContact O-CB 3.14Å; Q492-K496 PolarHBondContact O-N 3.22Å; A493-K496 PolarHBondContact O-N 2.69Å; K496-E513 IonicContact NZ-OE1 2.67Å; K496-E513 PolarHBondContact NZ-OE1 3.1Å; K496-E513 IonicContact NZ-OE2 3Å |
| 497 | Y | 90.5 | Very high | 90.1 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -107 | 6 | -173.6 | -60.8 | -75.7 | 0 | 0 | 0 | 114.1 | V43 V44 P47 A493 A495 L499 V509 E513 | V43-Y497 HydrophobicContact CG1-CD1 3.62Å; V43-Y497 HydrophobicContact CG1-CE1 4.33Å; V43-Y497 HydrophobicContact CG1-CG 3.81Å; V44-Y497 HydrophobicContact CG1-CE1 4.16Å; V44-Y497 HydrophobicContact CG1-CE2 4.42Å; P47-Y497 HydrophobicContact CB-CE1 3.96Å; P47-Y497 HydrophobicContact CG-CD1 4.5Å; P47-Y497 HydrophobicContact CG-CE1 3.89Å; A493-Y497 HydrophobicContact CB-CD2 4.35Å; A493-Y497 WeakPolarHBondContact O-CB 3.33Å; A493-Y497 WeakPolarHBondContact O-CD2 3.26Å; A493-Y497 PolarHBondContact O-N 2.9Å; A495-Y497 VanDerWaalsContact C-N 3.32Å; A495-Y497 PolarHBondContact O-N 3.43Å; Y497-L499 PolarHBondContact O-N 2.74Å; Y497-V509 HydrophobicContact CD2-CG1 3.47Å; Y497-V509 VanDerWaalsContact CD2-CG1 3.47Å; Y497-V509 HydrophobicContact CE2-CG1 3.5Å; Y497-V509 VanDerWaalsContact CE2-CG1 3.5Å; Y497-V509 HydrophobicContact CG-CG1 4.23Å; Y497-E513 PolarHBondContact OH-OE2 3.03Å; Y497-E513 VanDerWaalsContact OH-OE2 3.13Å |
| 498 | K | 89.5 | Confident | 90.2 | Very high | 191 Ų | 191 | 42.8 Ų | 42.8 | 83% | 0.83 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 44.7 | 178 | -58.1 | -177.8 | 179.5 | -179.9 | 0 | 114.1 | V494 A495 G500 | V494-K498 CarbonylContact O-C 3.51Å; V494-K498 VanDerWaalsContact O-CA 3.27Å; V494-K498 WeakPolarHBondContact O-CA 3.26Å; V494-K498 PolarHBondContact O-N 2.92Å; A495-K498 PolarHBondContact O-N 3.38Å; K498-G500 VanDerWaalsContact C-N 3.29Å; K498-G500 PolarHBondContact O-N 2.7Å |
| 499 | L | 87.5 | Confident | 90.2 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | trans | -82.2 | 5.7 | -169.7 | -55.7 | 176.5 | 0 | 0 | 0 | 115.2 | V43 V494 Y497 N502 L505 A506 V509 | V43-L499 HydrophobicContact CG1-CD2 4.35Å; V494-L499 PolarHBondContact O-N 2.91Å; Y497-L499 PolarHBondContact O-N 2.74Å; L499-N502 VanDerWaalsContact O-CB 3.29Å; L499-N502 WeakPolarHBondContact O-CB 3.42Å; L499-N502 PolarHBondContact O-N 2.96Å; L499-L505 HydrophobicContact CD1-CG 4.47Å; L499-L505 HydrophobicContact CD2-CD2 4.1Å; L499-L505 HydrophobicContact CD2-CG 4.46Å; L499-A506 HydrophobicContact CD1-CB 3.75Å; L499-V509 HydrophobicContact CD1-CG2 4.41Å | ||
| 500 | G | 85.2 | Confident | 90.3 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 55% | 0.546 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -135.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V494 K498 N502 | V494-G500 WeakPolarHBondContact CG1-O 3.29Å; K498-G500 VanDerWaalsContact C-N 3.29Å; K498-G500 PolarHBondContact O-N 2.7Å; G500-N502 VanDerWaalsContact C-N 3.31Å |
| 501 | N | 82.9 | Confident | 90.2 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 22% | 0.219 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 12.3 | 174.8 | 65.1 | -10.1 | 0 | 0 | 0 | 113.7 | L253 L376 L503 | L253-N501 HydrophobicContact CD1-CB 4.26Å; L376-N501 HydrophobicContact CD1-CB 4.27Å; N501-L503 VanDerWaalsContact C-N 3.31Å; N501-L503 PolarHBondContact O-N 2.87Å |
| 502 | N | 88.8 | Confident | 90.1 | Very high | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | trans | -80.4 | 73 | -175.8 | -167.4 | -13.8 | 0 | 0 | 0 | 112.5 | L499 G500 R504 L505 A506 | L499-N502 VanDerWaalsContact O-CB 3.29Å; L499-N502 WeakPolarHBondContact O-CB 3.42Å; L499-N502 PolarHBondContact O-N 2.96Å; G500-N502 VanDerWaalsContact C-N 3.31Å; N502-R504 PolarHBondContact O-N 2.91Å; N502-L505 HydrophobicContact CB-CB 4.38Å; N502-L505 WeakPolarHBondContact ND2-CB 3.04Å; N502-L505 PolarHBondContact O-N 3.22Å; N502-L505 WeakPolarHBondContact OD1-CB 3.27Å; N502-L505 PolarHBondContact OD1-N 3.24Å; N502-A506 PolarHBondContact O-N 2.82Å | ||
| 503 | L | 90.8 | Very high | 90 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -32 | 177.9 | -60.4 | -178.5 | 0 | 0 | 0 | 112.8 | F247 L253 L376 I378 P379 I490 L491 V494 N501 A506 A507 | F247-L503 HydrophobicContact CD1-CD1 3.82Å; F247-L503 HydrophobicContact CD1-CD2 4.14Å; F247-L503 HydrophobicContact CD2-CD1 4.08Å; F247-L503 HydrophobicContact CE1-CD1 3.97Å; F247-L503 HydrophobicContact CE1-CD2 3.88Å; F247-L503 HydrophobicContact CE2-CD1 4.2Å; F247-L503 HydrophobicContact CG-CD1 3.88Å; F247-L503 HydrophobicContact CZ-CD1 4.16Å; F247-L503 HydrophobicContact CZ-CD2 4.5Å; L253-L503 HydrophobicContact CD2-CD1 4.29Å; L253-L503 HydrophobicContact CD2-CD2 4.47Å; L376-L503 HydrophobicContact CD1-CD1 3.79Å; L376-L503 HydrophobicContact CD1-CG 4.04Å; L376-L503 HydrophobicContact CG-CD1 4.27Å; I378-L503 HydrophobicContact CG1-CD1 3.94Å; P379-L503 HydrophobicContact CG-CB 4.47Å; I490-L503 HydrophobicContact CG2-CD2 4.19Å; L491-L503 HydrophobicContact CD2-CD2 4.47Å; V494-L503 HydrophobicContact CG2-CD2 4.1Å; N501-L503 VanDerWaalsContact C-N 3.31Å; N501-L503 PolarHBondContact O-N 2.87Å; L503-A506 PolarHBondContact O-N 3.22Å; L503-A507 WeakPolarHBondContact O-CB 3.41Å; L503-A507 PolarHBondContact O-N 3.29Å |
| 504 | R | 90.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -53.4 | 176.8 | -169.3 | -165 | -61.3 | -75.8 | 3.8 | 111.4 | F36 E356 D367 P379 D380 N502 A506 A507 Y508 | F36-R504 VanDerWaalsContact CE1-CD 3.45Å; E356-R504 VanDerWaalsContact CD-NH2 3.33Å; E356-R504 IonicContact OE1-CZ 2.82Å; E356-R504 IonicContact OE1-NH1 2.66Å; E356-R504 PolarHBondContact OE1-NH1 2.67Å; E356-R504 IonicContact OE1-NH2 3.74Å; E356-R504 PolarHBondContact OE1-NH2 2.98Å; E356-R504 IonicContact OE2-CZ 3.21Å; E356-R504 IonicContact OE2-NH1 3.17Å; E356-R504 PolarHBondContact OE2-NH1 2.68Å; E356-R504 IonicContact OE2-NH2 3Å; E356-R504 PolarHBondContact OE2-NH2 3.23Å; D367-R504 IonicContact OD1-CZ 2.85Å; D367-R504 IonicContact OD1-NE 3.56Å; D367-R504 PolarHBondContact OD1-NE 3.2Å; D367-R504 IonicContact OD1-NH2 2.91Å; D367-R504 PolarHBondContact OD1-NH2 2.88Å; P379-R504 HydrophobicContact CB-CB 3.98Å; P379-R504 HydrophobicContact CB-CG 4Å; D380-R504 IonicContact OD1-NH1 2.61Å; N502-R504 PolarHBondContact O-N 2.91Å; R504-A506 VanDerWaalsContact C-N 3.28Å; R504-A506 PolarHBondContact O-N 2.81Å; R504-A507 PolarHBondContact O-N 2.83Å; R504-Y508 HydrophobicContact CG-CD2 4.29Å; R504-Y508 HydrophobicContact CG-CE2 4.3Å; R504-Y508 WeakPolarHBondContact O-CD2 3.48Å; R504-Y508 PolarHBondContact O-N 3.47Å; R504-Y508 VanDerWaalsContact O-N 3.12Å |
| 505 | L | 90.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.2 | -178.4 | 57 | 0 | 0 | 0 | 111.1 | K39 A40 V43 L499 N502 A507 Y508 V509 | K39-L505 HydrophobicContact CB-CD1 3.89Å; A40-L505 HydrophobicContact CB-CD1 4.2Å; V43-L505 HydrophobicContact CG2-CD2 4.44Å; L499-L505 HydrophobicContact CD1-CG 4.47Å; L499-L505 HydrophobicContact CD2-CD2 4.1Å; L499-L505 HydrophobicContact CD2-CG 4.46Å; N502-L505 HydrophobicContact CB-CB 4.38Å; N502-L505 WeakPolarHBondContact ND2-CB 3.04Å; N502-L505 PolarHBondContact O-N 3.22Å; N502-L505 WeakPolarHBondContact OD1-CB 3.27Å; N502-L505 PolarHBondContact OD1-N 3.24Å; L505-A507 PolarHBondContact O-N 2.86Å; L505-Y508 PolarHBondContact O-N 2.88Å; L505-V509 HydrophobicContact CD1-CG2 4.23Å; L505-V509 HydrophobicContact CG-CG2 4.38Å; L505-V509 VanDerWaalsContact O-CB 3.31Å; L505-V509 WeakPolarHBondContact O-CB 3.4Å; L505-V509 VanDerWaalsContact O-CG2 3.25Å; L505-V509 WeakPolarHBondContact O-CG2 3.46Å; L505-V509 PolarHBondContact O-N 2.86Å |
| 506 | A | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | I490 A493 V494 L499 N502 L503 R504 V509 T510 | I490-A506 HydrophobicContact CG2-CB 3.81Å; A493-A506 HydrophobicContact CB-CB 4.45Å; V494-A506 HydrophobicContact CG2-CB 3.52Å; L499-A506 HydrophobicContact CD1-CB 3.75Å; N502-A506 PolarHBondContact O-N 2.82Å; L503-A506 PolarHBondContact O-N 3.22Å; R504-A506 VanDerWaalsContact C-N 3.28Å; R504-A506 PolarHBondContact O-N 2.81Å; A506-V509 PolarHBondContact O-N 3.07Å; A506-T510 PolarHBondContact O-N 3.12Å; A506-T510 PolarHBondContact O-OG1 2.87Å |
| 507 | A | 93 | Very high | 89 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V138 P379 L381 I490 L503 R504 L505 T510 A511 | V138-A507 HydrophobicContact CG2-CB 4.3Å; P379-A507 HydrophobicContact CG-CB 3.87Å; L381-A507 HydrophobicContact CD2-CB 4.18Å; I490-A507 HydrophobicContact CD1-CB 4.07Å; I490-A507 HydrophobicContact CG1-CB 4.39Å; L503-A507 WeakPolarHBondContact O-CB 3.41Å; L503-A507 PolarHBondContact O-N 3.29Å; R504-A507 PolarHBondContact O-N 2.83Å; L505-A507 PolarHBondContact O-N 2.86Å; A507-T510 PolarHBondContact O-N 3.04Å; A507-A511 WeakPolarHBondContact O-CB 3.47Å; A507-A511 PolarHBondContact O-N 3.47Å |
| 508 | Y | 92.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 172.8 | -86.3 | -89.6 | 0 | 0 | 0 | 111.8 | F36 F134 L381 R504 L505 A511 V512 | F36-Y508 HydrophobicContact CB-CD1 4.27Å; F36-Y508 HydrophobicContact CB-CD2 3.8Å; F36-Y508 HydrophobicContact CB-CE1 4.12Å; F36-Y508 HydrophobicContact CB-CE2 3.64Å; F36-Y508 HydrophobicContact CB-CG 4.12Å; F36-Y508 HydrophobicContact CD2-CE2 4.43Å; F36-Y508 HydrophobicContact CG-CE2 4.21Å; F134-Y508 HydrophobicContact CD2-CE1 4.46Å; L381-Y508 HydrophobicContact CD2-CD1 4Å; L381-Y508 HydrophobicContact CD2-CD2 3.57Å; L381-Y508 HydrophobicContact CD2-CE1 4.18Å; L381-Y508 HydrophobicContact CD2-CE2 3.76Å; L381-Y508 HydrophobicContact CD2-CG 3.7Å; R504-Y508 HydrophobicContact CG-CD2 4.29Å; R504-Y508 HydrophobicContact CG-CE2 4.3Å; R504-Y508 WeakPolarHBondContact O-CD2 3.48Å; R504-Y508 PolarHBondContact O-N 3.47Å; R504-Y508 VanDerWaalsContact O-N 3.12Å; L505-Y508 PolarHBondContact O-N 2.88Å; Y508-A511 PolarHBondContact O-N 3Å; Y508-V512 WeakPolarHBondContact O-CG2 3.3Å; Y508-V512 PolarHBondContact O-N 2.86Å |
| 509 | V | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 175 | 159.1 | 0 | 0 | 0 | 0 | 111.4 | A40 V43 V44 A493 Y497 L499 L505 A506 A511 V512 E513 | A40-V509 HydrophobicContact CB-CG2 3.91Å; V43-V509 HydrophobicContact CB-CG2 4.02Å; V43-V509 HydrophobicContact CG1-CG2 3.92Å; V44-V509 HydrophobicContact CG1-CB 4.39Å; V44-V509 HydrophobicContact CG1-CG1 3.72Å; V44-V509 HydrophobicContact CG1-CG2 4.29Å; A493-V509 HydrophobicContact CB-CG1 4.32Å; Y497-V509 HydrophobicContact CD2-CG1 3.47Å; Y497-V509 VanDerWaalsContact CD2-CG1 3.47Å; Y497-V509 HydrophobicContact CE2-CG1 3.5Å; Y497-V509 VanDerWaalsContact CE2-CG1 3.5Å; Y497-V509 HydrophobicContact CG-CG1 4.23Å; L499-V509 HydrophobicContact CD1-CG2 4.41Å; L505-V509 HydrophobicContact CD1-CG2 4.23Å; L505-V509 HydrophobicContact CG-CG2 4.38Å; L505-V509 VanDerWaalsContact O-CB 3.31Å; L505-V509 WeakPolarHBondContact O-CB 3.4Å; L505-V509 VanDerWaalsContact O-CG2 3.25Å; L505-V509 WeakPolarHBondContact O-CG2 3.46Å; L505-V509 PolarHBondContact O-N 2.86Å; A506-V509 PolarHBondContact O-N 3.07Å; V509-A511 VanDerWaalsContact C-N 3.32Å; V509-A511 PolarHBondContact O-N 3.27Å; V509-V512 PolarHBondContact O-N 2.9Å; V509-E513 VanDerWaalsContact O-CB 3.32Å; V509-E513 WeakPolarHBondContact O-CB 3.41Å; V509-E513 PolarHBondContact O-N 3.48Å |
| 510 | T | 92.6 | Very high | 87 | Confident | 8 Ų | 8 | 23.4 Ų | 23.4 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | 174.6 | -59 | 0 | 0 | 0 | 0 | 111.9 | V138 N489 A493 A506 A507 K514 | V138-T510 HydrophobicContact CG2-CG2 4.15Å; N489-T510 HydrophobicContact CB-CG2 4.15Å; A493-T510 WeakPolarHBondContact CB-OG1 3.45Å; A506-T510 PolarHBondContact O-N 3.12Å; A506-T510 PolarHBondContact O-OG1 2.87Å; A507-T510 PolarHBondContact O-N 3.04Å; T510-K514 HydrophobicContact CG2-CD 4.24Å; T510-K514 WeakPolarHBondContact O-CB 3.42Å; T510-K514 VanDerWaalsContact O-CG 3.27Å; T510-K514 WeakPolarHBondContact O-CG 3.43Å; T510-K514 PolarHBondContact O-N 2.9Å |
| 511 | A | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.3 | -51.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | F134 A137 V138 A507 Y508 V509 E513 K514 I515 | F134-A511 HydrophobicContact CB-CB 4.03Å; F134-A511 HydrophobicContact CD1-CB 4.26Å; F134-A511 WeakPolarHBondContact O-CB 3.4Å; A137-A511 HydrophobicContact CB-CB 4.13Å; V138-A511 HydrophobicContact CB-CB 4.33Å; A507-A511 WeakPolarHBondContact O-CB 3.47Å; A507-A511 PolarHBondContact O-N 3.47Å; Y508-A511 PolarHBondContact O-N 3Å; V509-A511 VanDerWaalsContact C-N 3.32Å; V509-A511 PolarHBondContact O-N 3.27Å; A511-E513 PolarHBondContact O-N 2.85Å; A511-K514 PolarHBondContact O-N 2.87Å; A511-I515 WeakPolarHBondContact O-CD1 3.37Å; A511-I515 VanDerWaalsContact O-CG1 3.25Å; A511-I515 WeakPolarHBondContact O-CG1 3.31Å; A511-I515 PolarHBondContact O-N 2.86Å |
| 512 | V | 89.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | -179.9 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L37 A40 V44 M70 F134 Y508 V509 K514 I515 F516 | L37-V512 HydrophobicContact CD1-CG2 3.56Å; A40-V512 HydrophobicContact CB-CG2 4.14Å; V44-V512 HydrophobicContact CG2-CG1 3.8Å; M70-V512 HydrophobicContact CE-CG1 4.25Å; M70-V512 HydrophobicContact SD-CG1 3.66Å; F134-V512 HydrophobicContact CE1-CG2 4.4Å; Y508-V512 WeakPolarHBondContact O-CG2 3.3Å; Y508-V512 PolarHBondContact O-N 2.86Å; V509-V512 PolarHBondContact O-N 2.9Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 2.87Å; V512-I515 PolarHBondContact O-N 2.94Å; V512-F516 VanDerWaalsContact O-CB 3.25Å; V512-F516 WeakPolarHBondContact O-CB 3.42Å; V512-F516 PolarHBondContact O-N 3.47Å |
| 513 | E | 88.8 | Confident | 82.8 | Confident | 24 Ų | 24 | 29 Ų | 29 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 177.7 | -173.3 | 177.6 | 175.7 | 0 | 0 | 111.9 | I48 K496 Y497 V509 A511 R517 | I48-E513 HydrophobicContact CD1-CG 4.46Å; K496-E513 IonicContact NZ-OE1 2.67Å; K496-E513 PolarHBondContact NZ-OE1 3.1Å; K496-E513 IonicContact NZ-OE2 3Å; Y497-E513 PolarHBondContact OH-OE2 3.03Å; Y497-E513 VanDerWaalsContact OH-OE2 3.13Å; V509-E513 VanDerWaalsContact O-CB 3.32Å; V509-E513 WeakPolarHBondContact O-CB 3.41Å; V509-E513 PolarHBondContact O-N 3.48Å; A511-E513 PolarHBondContact O-N 2.85Å; E513-R517 VanDerWaalsContact O-CG 3.28Å; E513-R517 WeakPolarHBondContact O-CG 3.45Å; E513-R517 PolarHBondContact O-N 2.87Å; E513-R517 IonicContact OE1-CZ 2.73Å; E513-R517 IonicContact OE1-NE 3.58Å; E513-R517 PolarHBondContact OE1-NE 2.92Å; E513-R517 IonicContact OE1-NH2 3.86Å; E513-R517 PolarHBondContact OE1-NH2 2.74Å |
| 514 | K | 88.3 | Confident | 79.9 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.2 | -36.1 | 176.6 | -75.8 | 177.9 | 174.8 | -163.6 | 0 | 113.9 | R107 A137 V138 D140 T510 A511 V512 | R107-K514 PolarHBondContact NH2-O 2.86Å; A137-K514 WeakPolarHBondContact O-CD 3.09Å; A137-K514 PolarHBondContact O-NZ 3.42Å; A137-K514 VanDerWaalsContact O-NZ 3.12Å; V138-K514 PolarHBondContact O-NZ 3.34Å; D140-K514 WeakPolarHBondContact OD1-CD 3.46Å; D140-K514 WeakPolarHBondContact OD1-CE 3.41Å; D140-K514 IonicContact OD1-NZ 3.78Å; D140-K514 PolarHBondContact OD1-NZ 3.23Å; D140-K514 IonicContact OD2-NZ 2.92Å; T510-K514 HydrophobicContact CG2-CD 4.24Å; T510-K514 WeakPolarHBondContact O-CB 3.42Å; T510-K514 VanDerWaalsContact O-CG 3.27Å; T510-K514 WeakPolarHBondContact O-CG 3.43Å; T510-K514 PolarHBondContact O-N 2.9Å; A511-K514 PolarHBondContact O-N 2.87Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 2.87Å |
| 515 | I | 85.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.1 | -48.1 | 175.3 | -67.8 | 163 | 0 | 0 | 0 | 109.2 | I73 T133 F134 A137 A511 V512 R517 W518 A519 | I73-I515 HydrophobicContact CD1-CB 4.29Å; I73-I515 HydrophobicContact CD1-CG2 3.57Å; I73-I515 HydrophobicContact CG1-CG2 3.61Å; I73-I515 HydrophobicContact CG2-CG2 4.23Å; T133-I515 HydrophobicContact CG2-CD1 3.91Å; F134-I515 HydrophobicContact CD1-CD1 3.42Å; F134-I515 VanDerWaalsContact CD1-CD1 3.42Å; F134-I515 HydrophobicContact CE1-CD1 3.63Å; A137-I515 HydrophobicContact CB-CD1 3.81Å; A137-I515 HydrophobicContact CB-CG1 3.6Å; A511-I515 WeakPolarHBondContact O-CD1 3.37Å; A511-I515 VanDerWaalsContact O-CG1 3.25Å; A511-I515 WeakPolarHBondContact O-CG1 3.31Å; A511-I515 PolarHBondContact O-N 2.86Å; V512-I515 PolarHBondContact O-N 2.94Å; I515-R517 PolarHBondContact O-N 2.67Å; I515-W518 PolarHBondContact O-N 3.37Å; I515-W518 VanDerWaalsContact O-N 3.08Å; I515-A519 PolarHBondContact O-N 2.79Å |
| 516 | F | 85.1 | Confident | 73.9 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.2 | -48.6 | 178.9 | -171.1 | -72.6 | 0 | 0 | 0 | 111.7 | I48 V66 I69 M70 I73 V512 W518 A519 L520 | I48-F516 HydrophobicContact CD1-CB 4.18Å; I48-F516 HydrophobicContact CD1-CD1 4.24Å; I48-F516 HydrophobicContact CD1-CD2 4.36Å; I48-F516 HydrophobicContact CD1-CG 3.99Å; I48-F516 HydrophobicContact CG2-CD1 3.48Å; I48-F516 VanDerWaalsContact CG2-CD1 3.48Å; I48-F516 HydrophobicContact CG2-CD2 4.23Å; I48-F516 HydrophobicContact CG2-CE1 3.17Å; I48-F516 HydrophobicContact CG2-CE2 3.92Å; I48-F516 HydrophobicContact CG2-CG 4.04Å; I48-F516 HydrophobicContact CG2-CZ 3.42Å; I48-F516 VanDerWaalsContact CG2-CZ 3.42Å; V66-F516 HydrophobicContact CB-CE2 4.19Å; V66-F516 HydrophobicContact CB-CZ 4.15Å; V66-F516 HydrophobicContact CG1-CE2 3.87Å; V66-F516 HydrophobicContact CG1-CZ 4.19Å; V66-F516 HydrophobicContact CG2-CE2 4.32Å; V66-F516 HydrophobicContact CG2-CZ 3.81Å; I69-F516 HydrophobicContact CB-CD2 3.86Å; I69-F516 HydrophobicContact CB-CE2 3.46Å; I69-F516 VanDerWaalsContact CB-CE2 3.46Å; I69-F516 HydrophobicContact CB-CZ 4.03Å; I69-F516 HydrophobicContact CD1-CE1 3.93Å; I69-F516 HydrophobicContact CD1-CE2 3.9Å; I69-F516 HydrophobicContact CD1-CZ 3.5Å; I69-F516 HydrophobicContact CG1-CE2 4.23Å; I69-F516 HydrophobicContact CG1-CZ 4.31Å; I69-F516 HydrophobicContact CG2-CB 4.47Å; I69-F516 HydrophobicContact CG2-CD2 3.32Å; I69-F516 HydrophobicContact CG2-CE2 3.5Å; I69-F516 VanDerWaalsContact CG2-CE2 3.5Å; I69-F516 HydrophobicContact CG2-CG 3.93Å; I69-F516 HydrophobicContact CG2-CZ 4.19Å; M70-F516 HydrophobicContact CE-CD2 3.37Å; M70-F516 HydrophobicContact CE-CE2 3.77Å; M70-F516 HydrophobicContact CE-CG 4.23Å; M70-F516 HydrophobicContact CG-CD2 4.43Å; M70-F516 HydrophobicContact CG-CE2 4.42Å; M70-F516 HydrophobicContact SD-CD2 3.92Å; M70-F516 HydrophobicContact SD-CE2 4.45Å; I73-F516 HydrophobicContact CD1-CB 4.31Å; V512-F516 VanDerWaalsContact O-CB 3.25Å; V512-F516 WeakPolarHBondContact O-CB 3.42Å; V512-F516 PolarHBondContact O-N 3.47Å; F516-W518 PolarHBondContact O-N 2.87Å; F516-A519 PolarHBondContact O-N 3.02Å; F516-L520 HydrophobicContact CD1-CB 4.33Å; F516-L520 HydrophobicContact CE1-CB 4.09Å; F516-L520 HydrophobicContact CE1-CD1 4.14Å; F516-L520 HydrophobicContact CE1-CD2 4.19Å; F516-L520 HydrophobicContact CE1-CG 4.38Å; F516-L520 WeakPolarHBondContact O-CB 3.36Å; F516-L520 PolarHBondContact O-N 3.27Å |
| 517 | R | 81.6 | Confident | 70.7 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.1 | -29.9 | 179 | -73.8 | 176.5 | -168.7 | -75.6 | 2 | 113 | E51 E513 I515 C521 | E51-R517 IonicContact OE1-NH2 2.68Å; E51-R517 PolarHBondContact OE1-NH2 3.25Å; E51-R517 IonicContact OE2-CZ 3.89Å; E51-R517 IonicContact OE2-NH1 2.69Å; E51-R517 PolarHBondContact OE2-NH1 2.88Å; E51-R517 IonicContact OE2-NH2 2.95Å; E51-R517 PolarHBondContact OE2-NH2 3.02Å; E513-R517 VanDerWaalsContact O-CG 3.28Å; E513-R517 WeakPolarHBondContact O-CG 3.45Å; E513-R517 PolarHBondContact O-N 2.87Å; E513-R517 IonicContact OE1-CZ 2.73Å; E513-R517 IonicContact OE1-NE 3.58Å; E513-R517 PolarHBondContact OE1-NE 2.92Å; E513-R517 IonicContact OE1-NH2 3.86Å; E513-R517 PolarHBondContact OE1-NH2 2.74Å; I515-R517 PolarHBondContact O-N 2.67Å; R517-C521 PolarHBondContact O-SG 3.35Å |
| 518 | W | 76.5 | Confident | 67.4 | Low | 108 Ų | 108 | 37.5 Ų | 37.5 | 41% | 0.409 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -81 | -42.5 | 174.1 | -83.5 | 54.9 | 0 | 0 | 0 | 112.6 | R107 P142 I515 F516 L520 C521 T522 | R107-W518 HydrophobicContact CB-CE3 4.02Å; R107-W518 HydrophobicContact CB-CH2 4.38Å; R107-W518 HydrophobicContact CB-CZ3 3.67Å; R107-W518 HydrophobicContact CG-CD2 4.1Å; R107-W518 HydrophobicContact CG-CE3 3.51Å; R107-W518 HydrophobicContact CG-CH2 4.3Å; R107-W518 HydrophobicContact CG-CZ3 3.62Å; R107-W518 VanDerWaalsContact NH2-CD1 3.28Å; P142-W518 HydrophobicContact CB-CH2 4.1Å; I515-W518 PolarHBondContact O-N 3.37Å; I515-W518 VanDerWaalsContact O-N 3.08Å; F516-W518 PolarHBondContact O-N 2.87Å; W518-L520 VanDerWaalsContact C-N 3.32Å; W518-L520 PolarHBondContact O-N 2.92Å; W518-C521 PolarHBondContact O-N 3.2Å; W518-C521 VanDerWaalsContact O-N 3.1Å; W518-T522 PolarHBondContact O-N 3.29Å; W518-T522 PolarHBondContact O-OG1 2.94Å |
| 519 | A | 74.9 | Confident | 64.1 | Low | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I69 I515 F516 C521 T522 L523 | I69-A519 HydrophobicContact CG2-CB 3.67Å; I515-A519 PolarHBondContact O-N 2.79Å; F516-A519 PolarHBondContact O-N 3.02Å; A519-C521 PolarHBondContact O-N 2.84Å; A519-C521 VanDerWaalsContact O-N 3.13Å; A519-T522 WeakPolarHBondContact CA-OG1 3.31Å; A519-T522 PolarHBondContact O-N 3.19Å; A519-T522 PolarHBondContact O-OG1 2.74Å; A519-L523 PolarHBondContact O-N 3.01Å |
| 520 | L | 73.6 | Confident | 60.7 | Low | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.6 | -28.9 | 175.3 | -171.5 | 70.6 | 0 | 0 | 0 | 113.5 | I52 L65 I69 F516 W518 | I52-L520 HydrophobicContact CD1-CD1 4.33Å; I52-L520 HydrophobicContact CG1-CD1 4.48Å; I52-L520 HydrophobicContact CG1-CD2 4.3Å; L65-L520 HydrophobicContact CD2-CD1 3.86Å; L65-L520 HydrophobicContact CG-CD1 4.43Å; I69-L520 HydrophobicContact CD1-CB 4.23Å; I69-L520 HydrophobicContact CD1-CD1 3.89Å; F516-L520 HydrophobicContact CD1-CB 4.33Å; F516-L520 HydrophobicContact CE1-CB 4.09Å; F516-L520 HydrophobicContact CE1-CD1 4.14Å; F516-L520 HydrophobicContact CE1-CD2 4.19Å; F516-L520 HydrophobicContact CE1-CG 4.38Å; F516-L520 WeakPolarHBondContact O-CB 3.36Å; F516-L520 PolarHBondContact O-N 3.27Å; W518-L520 VanDerWaalsContact C-N 3.32Å; W518-L520 PolarHBondContact O-N 2.92Å |
| 521 | C | 65.3 | Low | 57.3 | Low | 111 Ų | 111 | 50.1 Ų | 50.1 | 75% | 0.75 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -90 | -12.3 | 177.2 | -68.7 | 0 | 0 | 0 | 0 | 114.4 | R517 W518 A519 | R517-C521 PolarHBondContact O-SG 3.35Å; W518-C521 PolarHBondContact O-N 3.2Å; W518-C521 VanDerWaalsContact O-N 3.1Å; A519-C521 PolarHBondContact O-N 2.84Å; A519-C521 VanDerWaalsContact O-N 3.13Å |
| 522 | T | 55.4 | Low | 54 | Low | 84 Ų | 84 | 54.7 Ų | 54.7 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -122.5 | -21.4 | -170.7 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | W518 A519 | W518-T522 PolarHBondContact O-N 3.29Å; W518-T522 PolarHBondContact O-OG1 2.94Å; A519-T522 WeakPolarHBondContact CA-OG1 3.31Å; A519-T522 PolarHBondContact O-N 3.19Å; A519-T522 PolarHBondContact O-OG1 2.74Å |
| 523 | L | 47.1 | Very low | 50.9 | Low | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.194 | 35% | 0.351 | C | S | . | . | trans | -133.1 | 102 | -170.6 | -76.4 | 152.2 | 0 | 0 | 0 | 110.6 | A519 | A519-L523 PolarHBondContact O-N 3.01Š| ||
| 524 | T | 30.9 | Very low | 47.9 | Very low | 120 Ų | 120 | 68.7 Ų | 68.7 | 74% | 0.736 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -69.9 | 159.1 | 139.7 | 51.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 525 | T | 27.3 | Very low | 45.4 | Very low | 30 Ų | 30 | 73 Ų | 73 | 18% | 0.184 | 41% | 0.407 | C | S | . | . | trans | 70.4 | 129.2 | -173.5 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | P604 R606 | T525-P604 WeakPolarHBondContact O-CB 3.47Å; T525-P604 VanDerWaalsContact O-CG 3.29Å; T525-P604 WeakPolarHBondContact O-CG 3.37Å; T525-P604 WeakPolarHBondContact OG1-CG 3.41Å; T525-P604 PolarHBondContact OG1-O 3.4Å; T525-R606 HydrophobicContact CG2-CB 3.98Å | ||
| 526 | N | 27.5 | Very low | 43.4 | Very low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | -162.9 | 177.5 | -50.4 | -69.5 | 0 | 0 | 0 | 112 | L65 G68 I69 P604 I605 F612 E613 | L65-N526 VanDerWaalsContact CD1-ND2 3.34Å; L65-N526 WeakPolarHBondContact CD1-ND2 3.3Å; L65-N526 PolarHBondContact O-ND2 2.95Å; G68-N526 WeakPolarHBondContact O-CB 3.44Å; I69-N526 WeakPolarHBondContact CA-OD1 3.1Å; I69-N526 WeakPolarHBondContact CG1-OD1 3.31Å; N526-P604 VanDerWaalsContact N-CB 3.34Å; N526-P604 WeakPolarHBondContact O-CB 3.39Å; N526-I605 PolarHBondContact O-N 3.15Å; N526-F612 HydrophobicContact CB-CB 3.77Å; N526-F612 HydrophobicContact CB-CD1 4.35Å; N526-F612 HydrophobicContact CB-CG 4.04Å; N526-F612 VanDerWaalsContact N-CD1 3.28Å; N526-F612 CarbonylContact O-C 3.58Å; N526-F612 VanDerWaalsContact O-C 3.3Å; N526-F612 WeakPolarHBondContact O-CB 3.43Å; N526-E613 PolarHBondContact O-N 3.34Å |
| 527 | S | 26.2 | Very low | 41.8 | Very low | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.014 | 44% | 0.436 | C | S | . | . | trans | -175.8 | 134.4 | -157.8 | 46.6 | 0 | 0 | 0 | 0 | 120.5 | A71 Q72 E613 I614 | A71-S527 CarbonylContact C-O 3.53Å; A71-S527 WeakPolarHBondContact CA-O 3.23Å; A71-S527 WeakPolarHBondContact CB-O 3.42Å; Q72-S527 WeakPolarHBondContact CB-OG 3.19Å; Q72-S527 PolarHBondContact N-O 3.42Å; S527-E613 VanDerWaalsContact CB-O 3.3Å; S527-E613 WeakPolarHBondContact CB-O 3.27Å; S527-I614 VanDerWaalsContact CB-N 3.35Å | ||
| 528 | S | 23.9 | Very low | 40.5 | Very low | 54 Ų | 54 | 80.2 Ų | 80.2 | 38% | 0.378 | 46% | 0.456 | S | S | . | . | trans | -144.8 | 168.9 | 162.8 | 71.2 | 0 | 0 | 0 | 0 | 111.7 | I614 | S528-I614 VanDerWaalsContact N-N 3.2Å; S528-I614 WeakPolarHBondContact O-CA 3.29Å; S528-I614 PolarHBondContact O-N 3.09Å | ||
| 529 | T | 21.3 | Very low | 39.8 | Very low | 81 Ų | 81 | 79.1 Ų | 79.1 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | cis | -165.8 | 156.4 | -40.3 | 26.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 530 | F | 22.1 | Very low | 39.5 | Very low | 98 Ų | 98 | 82.2 Ų | 82.2 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | trans | -120.4 | 172.3 | -167.9 | -145.3 | -95 | 0 | 0 | 0 | 117.9 | P637 K670 | F530-P637 WeakPolarHBondContact CE2-O 3.37Å; F530-P637 WeakPolarHBondContact CZ-O 3.48Å; F530-K670 HydrophobicContact CD1-CD 4.1Å; F530-K670 HydrophobicContact CD2-CD 3.6Å; F530-K670 HydrophobicContact CD2-CG 4.12Å; F530-K670 HydrophobicContact CE1-CD 4.25Å; F530-K670 VanDerWaalsContact CE1-CE 3.43Å; F530-K670 HydrophobicContact CE2-CD 3.73Å; F530-K670 HydrophobicContact CE2-CG 3.78Å; F530-K670 HydrophobicContact CG-CD 3.81Å; F530-K670 VanDerWaalsContact CG-NZ 3.29Å; F530-K670 HydrophobicContact CZ-CD 4.08Å; F530-K670 HydrophobicContact CZ-CG 4.13Å | ||
| 531 | S | 21.1 | Very low | 39.5 | Very low | 100 Ų | 100 | 80.7 Ų | 80.7 | 70% | 0.699 | 47% | 0.469 | S | S | * | . | trans | -136.7 | 162.1 | -179.5 | -167.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 532 | S | 22.1 | Very low | 40.1 | Very low | 96 Ų | 96 | 77.2 Ų | 77.2 | 67% | 0.671 | 44% | 0.443 | S | S | * | . | trans | -126.7 | 163.7 | -165.3 | 57.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 533 | H | 24.4 | Very low | 41.1 | Very low | 190 Ų | 190 | 77 Ų | 77 | 88% | 0.88 | 44% | 0.437 | S | S | * | . | trans | -154.9 | 159.6 | 161.7 | -85.3 | -56.8 | 0 | 0 | 0 | 113.6 | ||||
| 534 | V | 26.7 | Very low | 42.5 | Very low | 128 Ų | 128 | 75.7 Ų | 75.7 | 78% | 0.776 | 43% | 0.429 | S | S | * | . | trans | -163 | 145.4 | -160.3 | 163.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 535 | N | 34.2 | Very low | 44.5 | Very low | 119 Ų | 119 | 72.4 Ų | 72.4 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | cis | -158.1 | 168.3 | 0.7 | -131.3 | -25.7 | 0 | 0 | 0 | 110.9 | S537 | N535-S537 WeakPolarHBondContact ND2-CB 3.45Å; N535-S537 PolarHBondContact ND2-OG 3.35Å | ||
| 536 | D | 44.9 | Very low | 46.7 | Very low | 61 Ų | 61 | 75 Ų | 75 | 33% | 0.326 | 42% | 0.421 | S | S | . | . | trans | -120 | 29.1 | 164.7 | -170.2 | 30.2 | 0 | 0 | 0 | 111.8 | N538 N545 D546 | D536-N538 PolarHBondContact O-N 3.39Å; D536-N545 PolarHBondContact OD2-N 3.41Å; D536-D546 PolarHBondContact OD2-N 2.97Å | ||
| 537 | S | 51.3 | Low | 49.3 | Very low | 42 Ų | 42 | 75 Ų | 75 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.9 | -149 | 55.1 | 0 | 0 | 0 | 0 | 118.8 | N535 Q544 | N535-S537 WeakPolarHBondContact ND2-CB 3.45Å; N535-S537 PolarHBondContact ND2-OG 3.35Å; S537-Q544 PolarHBondContact O-NE2 2.95Å |
| 538 | N | 54 | Low | 51.8 | Low | 154 Ų | 154 | 76.4 Ų | 76.4 | 82% | 0.824 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -5.3 | -159.4 | -68.1 | 1 | 0 | 0 | 0 | 115.1 | D536 | D536-N538 PolarHBondContact O-N 3.39Š|
| 539 | L | 60.8 | Low | 54.5 | Low | 85 Ų | 85 | 74.3 Ų | 74.3 | 45% | 0.445 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -89.3 | 161.9 | 175.4 | -68.9 | 172.3 | 0 | 0 | 0 | 112 | Q544 | L539-Q544 HydrophobicContact CB-CG 3.79Å; L539-Q544 PolarHBondContact O-NE2 3.15Å |
| 540 | P | 68.8 | Low | 57.3 | Low | 69 Ų | 69 | 72.3 Ų | 72.3 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | trans | -54.5 | 145.8 | 165.1 | -24.2 | 34.5 | 0 | 0 | 0 | 112.1 | D542 E543 Q544 | P540-D542 PolarHBondContact O-N 3.14Å; P540-E543 HydrophobicContact CB-CB 4.26Å; P540-E543 HydrophobicContact CB-CG 4.32Å; P540-E543 CarbonylContact O-C 3.56Å; P540-E543 WeakPolarHBondContact O-CA 3.39Å; P540-E543 PolarHBondContact O-N 3.35Å; P540-Q544 PolarHBondContact O-N 2.86Å | ||
| 541 | M | 74.3 | Confident | 60.3 | Low | 33 Ų | 33 | 72.6 Ų | 72.6 | 16% | 0.163 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.9 | -172.9 | -166.5 | 58.8 | 45.4 | 0 | 0 | 113.8 | E543 P547 K551 Y555 P896 | M541-E543 VanDerWaalsContact C-N 3.28Å; M541-P547 HydrophobicContact SD-CB 3.53Å; M541-P547 VanDerWaalsContact SD-CB 3.53Å; M541-K551 HydrophobicContact CE-CB 3.71Å; M541-K551 HydrophobicContact CE-CD 4.15Å; M541-K551 HydrophobicContact SD-CB 4.15Å; M541-Y555 HydrophobicContact CB-CD2 4.02Å; M541-Y555 HydrophobicContact CB-CG 4.4Å; M541-Y555 HydrophobicContact CG-CD2 4.11Å; M541-Y555 HydrophobicContact CG-CG 3.98Å; M541-P896 HydrophobicContact CG-CG 4.34Å |
| 542 | D | 77 | Confident | 63.5 | Low | 38 Ų | 38 | 67.9 Ų | 67.9 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 14.3 | 174.1 | 64.4 | -35.9 | 0 | 0 | 0 | 113.3 | P540 Y555 P896 A897 K900 | P540-D542 PolarHBondContact O-N 3.14Å; D542-Y555 HydrophobicContact CB-CE2 4.47Å; D542-P896 HydrophobicContact CB-CB 4.43Å; D542-A897 WeakPolarHBondContact O-CA 3.44Å; D542-A897 WeakPolarHBondContact O-CB 3.46Å; D542-K900 HydrophobicContact CB-CD 3.98Å; D542-K900 WeakPolarHBondContact OD2-CD 3.25Å; D542-K900 WeakPolarHBondContact OD2-CE 3.48Å; D542-K900 IonicContact OD2-NZ 2.62Å; D542-K900 PolarHBondContact OD2-NZ 2.83Å |
| 543 | E | 77.6 | Confident | 66.6 | Low | 81 Ų | 81 | 63.4 Ų | 63.4 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | -15.9 | 171 | -65.2 | -163.3 | -175.9 | 0 | 0 | 114.6 | P540 M541 K875 | P540-E543 HydrophobicContact CB-CB 4.26Å; P540-E543 HydrophobicContact CB-CG 4.32Å; P540-E543 CarbonylContact O-C 3.56Å; P540-E543 WeakPolarHBondContact O-CA 3.39Å; P540-E543 PolarHBondContact O-N 3.35Å; M541-E543 VanDerWaalsContact C-N 3.28Å; E543-K875 WeakPolarHBondContact O-CD 3.29Å; E543-K875 PolarHBondContact O-NZ 3.48Å |
| 544 | Q | 77.2 | Confident | 69.6 | Low | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -58.8 | 147.6 | 169.1 | -75.5 | 177.6 | 18.4 | 0 | 0 | 111.3 | S537 L539 P540 P547 | S537-Q544 PolarHBondContact O-NE2 2.95Å; L539-Q544 HydrophobicContact CB-CG 3.79Å; L539-Q544 PolarHBondContact O-NE2 3.15Å; P540-Q544 PolarHBondContact O-N 2.86Å; Q544-P547 HydrophobicContact CB-CB 4.3Å | ||
| 545 | N | 71.9 | Confident | 72.6 | Confident | 52 Ų | 52 | 52 Ų | 52 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -99.3 | -36.7 | 177.4 | -150.1 | 31.7 | 0 | 0 | 0 | 111.1 | D536 R874 K875 D876 | D536-N545 PolarHBondContact OD2-N 3.41Å; N545-R874 WeakPolarHBondContact O-CD 3.28Å; N545-K875 VanDerWaalsContact OD1-CB 3.24Å; N545-K875 WeakPolarHBondContact OD1-CB 3.02Å; N545-K875 PolarHBondContact OD1-N 2.76Å; N545-K875 VanDerWaalsContact OD1-N 3.08Å; N545-D876 PolarHBondContact ND2-OD2 3.08Å |
| 546 | D | 74.6 | Confident | 75.3 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -125 | 74.1 | 173.1 | -163.5 | 52.5 | 0 | 0 | 0 | 113.2 | D536 K871 | D536-D546 PolarHBondContact OD2-N 2.97Å; D546-K871 WeakPolarHBondContact OD1-CD 3.16Å; D546-K871 WeakPolarHBondContact OD1-CE 3.3Å; D546-K871 IonicContact OD1-NZ 2.92Å; D546-K871 PolarHBondContact OD1-NZ 2.65Å; D546-K871 IonicContact OD2-NZ 2.84Å; D546-K871 PolarHBondContact OD2-NZ 2.88Å |
| 547 | P | 80.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -66.9 | 155.4 | -178.5 | 27.6 | -35.6 | 0 | 0 | 0 | 113.5 | M541 Q544 M552 K871 T895 | M541-P547 HydrophobicContact SD-CB 3.53Å; M541-P547 VanDerWaalsContact SD-CB 3.53Å; Q544-P547 HydrophobicContact CB-CB 4.3Å; P547-M552 HydrophobicContact CB-CB 4.46Å; P547-M552 HydrophobicContact CG-CB 4.3Å; P547-M552 HydrophobicContact CG-SD 4.15Å; P547-K871 HydrophobicContact CG-CD 4.25Å; P547-K871 WeakPolarHBondContact O-CD 3.33Å; P547-K871 PolarHBondContact O-NZ 2.98Å; P547-T895 HydrophobicContact CG-CG2 4.28Å | ||
| 548 | S | 79.3 | Confident | 79.3 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 22% | 0.217 | 23% | 0.225 | C | C | . | . | trans | -59.2 | 137.7 | 163.8 | 133.1 | 0 | 0 | 0 | 0 | 109.5 | F550 K551 M552 D642 | S548-F550 PolarHBondContact O-N 3.42Å; S548-K551 PolarHBondContact O-N 3.37Å; S548-K551 WeakPolarHBondContact OG-CG 2.99Å; S548-K551 PolarHBondContact OG-N 3.01Å; S548-M552 WeakPolarHBondContact O-CB 3.23Å; S548-M552 PolarHBondContact O-N 3.34Å; S548-D642 WeakPolarHBondContact CB-OD2 3.37Å; S548-D642 PolarHBondContact OG-OD1 2.78Å; S548-D642 PolarHBondContact OG-OD2 3.47Å | ||
| 549 | Y | 80.2 | Confident | 81.1 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | -168.9 | -159.1 | 169.5 | 0 | 0 | 0 | 110.5 | K551 M552 I553 D642 E643 A646 L647 L650 E870 N891 | Y549-K551 PolarHBondContact O-N 3.1Å; Y549-M552 HydrophobicContact CD2-CE 3.71Å; Y549-M552 HydrophobicContact CE2-CE 3.65Å; Y549-M552 WeakPolarHBondContact O-CB 3.45Å; Y549-M552 PolarHBondContact O-N 3.07Å; Y549-I553 HydrophobicContact CD2-CD1 3.61Å; Y549-I553 HydrophobicContact CD2-CG1 4.16Å; Y549-I553 HydrophobicContact CE2-CD1 3.72Å; Y549-I553 HydrophobicContact CE2-CG1 4.21Å; Y549-I553 WeakPolarHBondContact O-CD1 3.46Å; Y549-I553 PolarHBondContact O-N 2.9Å; Y549-I553 VanDerWaalsContact O-N 3.13Å; Y549-D642 PolarHBondContact N-OD2 2.68Å; Y549-E643 HydrophobicContact CD1-CG 4.3Å; Y549-A646 HydrophobicContact CD1-CB 3.99Å; Y549-A646 HydrophobicContact CD2-CB 3.85Å; Y549-A646 HydrophobicContact CG-CB 3.54Å; Y549-L647 HydrophobicContact CE1-CD1 4.43Å; Y549-L647 HydrophobicContact CE1-CD2 3.76Å; Y549-L647 HydrophobicContact CE1-CG 3.95Å; Y549-L647 WeakPolarHBondContact OH-CD2 3.49Å; Y549-L650 HydrophobicContact CE2-CD1 3.92Å; Y549-E870 HydrophobicContact CD1-CB 4.44Å; Y549-E870 HydrophobicContact CD1-CG 3.98Å; Y549-E870 HydrophobicContact CE1-CB 3.68Å; Y549-E870 HydrophobicContact CE1-CG 3.53Å; Y549-N891 WeakPolarHBondContact OH-CB 3.35Å; Y549-N891 PolarHBondContact OH-O 3.42Å |
| 550 | F | 81.4 | Confident | 82.4 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | 178.6 | -177.1 | -132.4 | 0 | 0 | 0 | 111.7 | S548 I553 N554 Q593 D642 T645 A646 | S548-F550 PolarHBondContact O-N 3.42Å; F550-I553 PolarHBondContact O-N 2.73Å; F550-N554 WeakPolarHBondContact CE1-ND2 3.42Å; F550-N554 WeakPolarHBondContact CE2-ND2 3.19Å; F550-N554 WeakPolarHBondContact CZ-ND2 2.87Å; F550-N554 WeakPolarHBondContact O-CB 3.42Å; F550-N554 PolarHBondContact O-N 3.06Å; F550-Q593 WeakPolarHBondContact CZ-O 3.36Å; F550-D642 WeakPolarHBondContact CB-OD1 3.23Å; F550-D642 PolarHBondContact N-OD2 2.75Å; F550-T645 HydrophobicContact CD1-CG2 4.24Å; F550-T645 HydrophobicContact CD2-CG2 3.72Å; F550-T645 HydrophobicContact CE1-CG2 4.16Å; F550-T645 HydrophobicContact CE2-CG2 3.63Å; F550-T645 HydrophobicContact CG-CG2 4.03Å; F550-T645 HydrophobicContact CZ-CG2 3.86Å; F550-A646 HydrophobicContact CB-CB 4.21Å |
| 551 | K | 84.7 | Confident | 83.4 | Confident | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 173.7 | -68.2 | -178.8 | -174.3 | 176 | 0 | 112.5 | M541 S548 Y549 N554 Y555 | M541-K551 HydrophobicContact CE-CB 3.71Å; M541-K551 HydrophobicContact CE-CD 4.15Å; M541-K551 HydrophobicContact SD-CB 4.15Å; S548-K551 PolarHBondContact O-N 3.37Å; S548-K551 WeakPolarHBondContact OG-CG 2.99Å; S548-K551 PolarHBondContact OG-N 3.01Å; Y549-K551 PolarHBondContact O-N 3.1Å; K551-N554 PolarHBondContact O-N 2.86Å; K551-Y555 PolarHBondContact O-N 3.08Å |
| 552 | M | 88.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.8 | 179.5 | 171.8 | 84.5 | 0 | 0 | 112.1 | P547 S548 Y549 Y555 Y556 K871 T895 P896 | P547-M552 HydrophobicContact CB-CB 4.46Å; P547-M552 HydrophobicContact CG-CB 4.3Å; P547-M552 HydrophobicContact CG-SD 4.15Å; S548-M552 WeakPolarHBondContact O-CB 3.23Å; S548-M552 PolarHBondContact O-N 3.34Å; Y549-M552 HydrophobicContact CD2-CE 3.71Å; Y549-M552 HydrophobicContact CE2-CE 3.65Å; Y549-M552 WeakPolarHBondContact O-CB 3.45Å; Y549-M552 PolarHBondContact O-N 3.07Å; M552-Y555 WeakPolarHBondContact O-CB 3.25Å; M552-Y555 PolarHBondContact O-N 2.94Å; M552-Y556 HydrophobicContact CG-CD2 4.34Å; M552-Y556 HydrophobicContact CG-CE2 3.83Å; M552-Y556 WeakPolarHBondContact O-CD2 3.45Å; M552-Y556 PolarHBondContact O-N 2.76Å; M552-Y556 HydrophobicContact SD-CE2 4.49Å; M552-K871 HydrophobicContact CE-CG 4.37Å; M552-K871 HydrophobicContact SD-CG 4.34Å; M552-T895 HydrophobicContact SD-CG2 4.48Å; M552-P896 HydrophobicContact CG-CG 3.82Å |
| 553 | I | 87.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.9 | -39.9 | 179.4 | -64.3 | 150.6 | 0 | 0 | 0 | 111 | Y549 F550 Y555 Y556 C557 A646 S649 L650 Y653 Y1024 | Y549-I553 HydrophobicContact CD2-CD1 3.61Å; Y549-I553 HydrophobicContact CD2-CG1 4.16Å; Y549-I553 HydrophobicContact CE2-CD1 3.72Å; Y549-I553 HydrophobicContact CE2-CG1 4.21Å; Y549-I553 WeakPolarHBondContact O-CD1 3.46Å; Y549-I553 PolarHBondContact O-N 2.9Å; Y549-I553 VanDerWaalsContact O-N 3.13Å; F550-I553 PolarHBondContact O-N 2.73Å; I553-Y555 VanDerWaalsContact C-N 3.26Å; I553-Y555 PolarHBondContact O-N 3.02Å; I553-Y556 PolarHBondContact O-N 2.85Å; I553-Y556 VanDerWaalsContact O-N 3.16Å; I553-C557 WeakPolarHBondContact O-CB 3.45Å; I553-C557 PolarHBondContact O-N 3.3Å; I553-A646 VanDerWaalsContact CD1-CA 3.49Å; I553-A646 HydrophobicContact CD1-CB 3.47Å; I553-A646 VanDerWaalsContact CD1-CB 3.47Å; I553-A646 VanDerWaalsContact CD1-O 3.27Å; I553-A646 WeakPolarHBondContact CD1-O 3.45Å; I553-S649 WeakPolarHBondContact CG2-OG 3.42Å; I553-L650 HydrophobicContact CD1-CD1 3.65Å; I553-L650 HydrophobicContact CD1-CD2 4.38Å; I553-L650 HydrophobicContact CD1-CG 3.59Å; I553-L650 HydrophobicContact CG1-CD1 4.04Å; I553-L650 HydrophobicContact CG1-CD2 4.05Å; I553-L650 HydrophobicContact CG1-CG 3.81Å; I553-L650 HydrophobicContact CG2-CD2 4.32Å; I553-L650 HydrophobicContact CG2-CG 4.33Å; I553-Y653 HydrophobicContact CG2-CD2 4.3Å; I553-Y653 HydrophobicContact CG2-CE2 3.9Å; I553-Y1024 HydrophobicContact CG2-CE1 4.25Å |
| 554 | N | 86.9 | Confident | 85.1 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -32.5 | 173.7 | -82.3 | -27.4 | 0 | 0 | 0 | 112.3 | F550 K551 C557 N558 Q593 | F550-N554 WeakPolarHBondContact CE1-ND2 3.42Å; F550-N554 WeakPolarHBondContact CE2-ND2 3.19Å; F550-N554 WeakPolarHBondContact CZ-ND2 2.87Å; F550-N554 WeakPolarHBondContact O-CB 3.42Å; F550-N554 PolarHBondContact O-N 3.06Å; K551-N554 PolarHBondContact O-N 2.86Å; N554-C557 PolarHBondContact O-N 3.13Å; N554-N558 WeakPolarHBondContact O-CB 3.46Å; N554-N558 PolarHBondContact O-N 3.13Å; N554-N558 PolarHBondContact O-ND2 2.74Å; N554-Q593 PolarHBondContact OD1-O 2.85Å |
| 555 | Y | 90 | Very high | 85.5 | Confident | 52 Ų | 52 | 34.6 Ų | 34.6 | 20% | 0.204 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 170.7 | 172.5 | -90.5 | 0 | 0 | 0 | 112.2 | M541 D542 K551 M552 I553 C557 N558 R559 P896 | M541-Y555 HydrophobicContact CB-CD2 4.02Å; M541-Y555 HydrophobicContact CB-CG 4.4Å; M541-Y555 HydrophobicContact CG-CD2 4.11Å; M541-Y555 HydrophobicContact CG-CG 3.98Å; D542-Y555 HydrophobicContact CB-CE2 4.47Å; K551-Y555 PolarHBondContact O-N 3.08Å; M552-Y555 WeakPolarHBondContact O-CB 3.25Å; M552-Y555 PolarHBondContact O-N 2.94Å; I553-Y555 VanDerWaalsContact C-N 3.26Å; I553-Y555 PolarHBondContact O-N 3.02Å; Y555-C557 PolarHBondContact O-N 2.85Å; Y555-N558 PolarHBondContact O-N 3.26Å; Y555-R559 VanDerWaalsContact CE1-CD 3.49Å; Y555-R559 HydrophobicContact CE1-CG 4.16Å; Y555-R559 PolarHBondContact O-N 2.87Å; Y555-P896 HydrophobicContact CD1-CB 3.67Å; Y555-P896 HydrophobicContact CD1-CG 3.8Å; Y555-P896 HydrophobicContact CE1-CB 3.58Å; Y555-P896 HydrophobicContact CE1-CG 4.24Å; Y555-P896 HydrophobicContact CG-CB 4.48Å; Y555-P896 HydrophobicContact CG-CG 4.44Å |
| 556 | Y | 91.6 | Very high | 86.2 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 176.4 | -62.4 | -52 | 0 | 0 | 0 | 112.8 | M552 I553 R559 G560 T894 T895 P896 D899 R1020 Y1024 | M552-Y556 HydrophobicContact CG-CD2 4.34Å; M552-Y556 HydrophobicContact CG-CE2 3.83Å; M552-Y556 WeakPolarHBondContact O-CD2 3.45Å; M552-Y556 PolarHBondContact O-N 2.76Å; M552-Y556 HydrophobicContact SD-CE2 4.49Å; I553-Y556 PolarHBondContact O-N 2.85Å; I553-Y556 VanDerWaalsContact O-N 3.16Å; Y556-R559 PolarHBondContact O-N 3.36Å; Y556-G560 PolarHBondContact O-N 3.27Å; Y556-T894 PolarHBondContact OH-O 3.05Å; Y556-T895 VanDerWaalsContact OH-C 3.28Å; Y556-T895 PolarHBondContact OH-O 2.89Å; Y556-P896 HydrophobicContact CE1-CB 4.25Å; Y556-P896 HydrophobicContact CE1-CG 4.21Å; Y556-P896 HydrophobicContact CE2-CG 4.37Å; Y556-P896 WeakPolarHBondContact OH-CA 3.34Å; Y556-D899 HydrophobicContact CE1-CB 4.42Å; Y556-R1020 HydrophobicContact CD1-CG 4.42Å; Y556-Y1024 VanDerWaalsContact CB-CE2 3.4Å; Y556-Y1024 HydrophobicContact CD2-CE2 4.41Å; Y556-Y1024 HydrophobicContact CG-CE2 4.16Å |
| 557 | C | 89.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 172.3 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | I553 N554 Y555 G560 R561 Y653 Y1024 I1028 | I553-C557 WeakPolarHBondContact O-CB 3.45Å; I553-C557 PolarHBondContact O-N 3.3Å; N554-C557 PolarHBondContact O-N 3.13Å; Y555-C557 PolarHBondContact O-N 2.85Å; C557-G560 PolarHBondContact O-N 3.49Å; C557-R561 WeakPolarHBondContact O-CB 3.34Å; C557-R561 PolarHBondContact O-N 3.34Å; C557-Y653 PolarHBondContact SG-OH 3.2Å; C557-Y1024 HydrophobicContact CB-CD1 4.12Å; C557-Y1024 HydrophobicContact CB-CE1 4.25Å; C557-I1028 WeakPolarHBondContact O-CD1 3.45Å |
| 558 | N | 90.5 | Very high | 86.9 | Confident | 45 Ų | 45 | 37 Ų | 37 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 171.6 | -78.9 | -68.2 | 0 | 0 | 0 | 111.3 | N554 Y555 G560 R561 D562 Q593 | N554-N558 WeakPolarHBondContact O-CB 3.46Å; N554-N558 PolarHBondContact O-N 3.13Å; N554-N558 PolarHBondContact O-ND2 2.74Å; Y555-N558 PolarHBondContact O-N 3.26Å; N558-G560 VanDerWaalsContact C-N 3.32Å; N558-G560 PolarHBondContact O-N 2.63Å; N558-R561 WeakPolarHBondContact O-CB 3.45Å; N558-R561 PolarHBondContact O-N 2.89Å; N558-R561 VanDerWaalsContact O-N 3.17Å; N558-R561 PolarHBondContact OD1-NH1 2.75Å; N558-R561 PolarHBondContact OD1-NH2 3.29Å; N558-D562 WeakPolarHBondContact O-CB 3.29Å; N558-D562 PolarHBondContact O-N 2.87Å; N558-Q593 PolarHBondContact OD1-NE2 3.02Å |
| 559 | R | 90.6 | Very high | 87.1 | Confident | 90 Ų | 90 | 36.4 Ų | 36.4 | 34% | 0.34 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 173.1 | -69.5 | -179.5 | 67.4 | 88.7 | -3.1 | 112.4 | Y555 Y556 R561 D562 A563 D1018 T1021 | Y555-R559 VanDerWaalsContact CE1-CD 3.49Å; Y555-R559 HydrophobicContact CE1-CG 4.16Å; Y555-R559 PolarHBondContact O-N 2.87Å; Y556-R559 PolarHBondContact O-N 3.36Å; R559-R561 VanDerWaalsContact C-N 3.35Å; R559-D562 PolarHBondContact O-N 2.95Å; R559-A563 WeakPolarHBondContact O-CB 3.35Å; R559-A563 PolarHBondContact O-N 3.39Å; R559-A563 VanDerWaalsContact O-N 3.15Å; R559-D1018 IonicContact CZ-OD2 3.54Å; R559-D1018 IonicContact NE-OD2 2.67Å; R559-D1018 IonicContact NH2-OD2 2.86Å; R559-D1018 PolarHBondContact NH2-OD2 2.75Å; R559-T1021 HydrophobicContact CB-CG2 4Å; R559-T1021 PolarHBondContact NE-OG1 3.48Å; R559-T1021 VanDerWaalsContact NE-OG1 3.12Å |
| 560 | G | 88.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y556 C557 N558 I564 | Y556-G560 PolarHBondContact O-N 3.27Å; C557-G560 PolarHBondContact O-N 3.49Å; N558-G560 VanDerWaalsContact C-N 3.32Å; N558-G560 PolarHBondContact O-N 2.63Å; G560-I564 WeakPolarHBondContact O-CG1 3.21Å |
| 561 | R | 88.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 13% | 0.125 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -55.5 | 172.4 | -179.7 | -166.2 | 68.4 | -145 | -9.8 | 111.3 | C557 N558 R559 A563 I564 E565 L589 | C557-R561 WeakPolarHBondContact O-CB 3.34Å; C557-R561 PolarHBondContact O-N 3.34Å; N558-R561 WeakPolarHBondContact O-CB 3.45Å; N558-R561 PolarHBondContact O-N 2.89Å; N558-R561 VanDerWaalsContact O-N 3.17Å; N558-R561 PolarHBondContact OD1-NH1 2.75Å; N558-R561 PolarHBondContact OD1-NH2 3.29Å; R559-R561 VanDerWaalsContact C-N 3.35Å; R561-A563 PolarHBondContact O-N 3.17Å; R561-I564 WeakPolarHBondContact O-CG1 3.24Å; R561-I564 PolarHBondContact O-N 3.02Å; R561-E565 HydrophobicContact CG-CB 4.4Å; R561-E565 IonicContact NE-OE2 2.6Å; R561-E565 PolarHBondContact O-N 3.34Å; R561-L589 HydrophobicContact CG-CB 4.15Å; R561-L589 HydrophobicContact CG-CD1 3.76Å; R561-L589 HydrophobicContact CG-CD2 4.03Å; R561-L589 HydrophobicContact CG-CG 4.17Å |
| 562 | D | 89 | Confident | 86.9 | Confident | 89 Ų | 89 | 41.3 Ų | 41.3 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.1 | -28.5 | -170.3 | -61.8 | -17.3 | 0 | 0 | 0 | 111.6 | N558 R559 I564 | N558-D562 WeakPolarHBondContact O-CB 3.29Å; N558-D562 PolarHBondContact O-N 2.87Å; R559-D562 PolarHBondContact O-N 2.95Å; D562-I564 VanDerWaalsContact C-N 3.34Å |
| 563 | A | 87.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.2 | -26 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | R559 R561 Y1013 L1015 T1021 | R559-A563 WeakPolarHBondContact O-CB 3.35Å; R559-A563 PolarHBondContact O-N 3.39Å; R559-A563 VanDerWaalsContact O-N 3.15Å; R561-A563 PolarHBondContact O-N 3.17Å; A563-Y1013 WeakPolarHBondContact O-CD1 3.47Å; A563-L1015 HydrophobicContact CB-CD2 4.13Å; A563-T1021 HydrophobicContact CB-CG2 4.15Å |
| 564 | I | 89.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -118.9 | -20.9 | -170.6 | 73.4 | 179.3 | 0 | 0 | 0 | 115.5 | G560 R561 D562 N566 K567 L568 Y1013 A1025 I1028 E1029 | G560-I564 WeakPolarHBondContact O-CG1 3.21Å; R561-I564 WeakPolarHBondContact O-CG1 3.24Å; R561-I564 PolarHBondContact O-N 3.02Å; D562-I564 VanDerWaalsContact C-N 3.34Å; I564-N566 PolarHBondContact O-N 3.24Å; I564-K567 WeakPolarHBondContact O-CA 3.41Å; I564-K567 PolarHBondContact O-N 3.37Å; I564-L568 HydrophobicContact CB-CG 4.44Å; I564-L568 HydrophobicContact CD1-CD1 3.74Å; I564-L568 HydrophobicContact CD1-CG 4.34Å; I564-L568 HydrophobicContact CG1-CD1 3.73Å; I564-L568 HydrophobicContact CG1-CG 4.18Å; I564-L568 PolarHBondContact O-N 3.45Å; I564-Y1013 HydrophobicContact CB-CE1 3.88Å; I564-Y1013 HydrophobicContact CG2-CD1 4.01Å; I564-Y1013 HydrophobicContact CG2-CD2 4.1Å; I564-Y1013 HydrophobicContact CG2-CE1 3.58Å; I564-Y1013 HydrophobicContact CG2-CE2 3.7Å; I564-Y1013 HydrophobicContact CG2-CG 4.25Å; I564-Y1013 VanDerWaalsContact CG2-CZ 3.44Å; I564-A1025 HydrophobicContact CG2-CB 3.51Å; I564-I1028 HydrophobicContact CD1-CB 3.91Å; I564-I1028 HydrophobicContact CD1-CG2 3.81Å; I564-E1029 HydrophobicContact CD1-CB 4.36Å |
| 565 | E | 86.2 | Confident | 85.4 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.5 | -49.9 | -168.3 | -178.4 | 168 | -172.5 | 0 | 0 | 113.2 | R561 K567 L568 I569 I585 H586 L589 | R561-E565 HydrophobicContact CG-CB 4.4Å; R561-E565 IonicContact NE-OE2 2.6Å; R561-E565 PolarHBondContact O-N 3.34Å; E565-K567 VanDerWaalsContact C-N 3.29Å; E565-K567 PolarHBondContact O-N 2.99Å; E565-L568 PolarHBondContact O-N 3.07Å; E565-I569 HydrophobicContact CG-CD1 4.15Å; E565-I569 WeakPolarHBondContact O-CG1 3.48Å; E565-I569 PolarHBondContact O-N 3.46Å; E565-I569 VanDerWaalsContact O-N 3.11Å; E565-I585 HydrophobicContact CG-CG2 4.49Å; E565-H586 IonicContact OE1-CE1 2.78Å; E565-H586 PolarHBondContact OE1-CE1 3.15Å; E565-H586 IonicContact OE1-CG 3.52Å; E565-H586 IonicContact OE1-ND1 2.8Å; E565-H586 PolarHBondContact OE1-ND1 3.3Å; E565-H586 VanDerWaalsContact OE1-ND1 3.15Å; E565-H586 IonicContact OE2-CE1 3.81Å; E565-H586 PolarHBondContact OE2-CE1 3.38Å; E565-H586 VanDerWaalsContact OE2-CE1 3.32Å; E565-L589 HydrophobicContact CB-CD1 4.22Å; E565-L589 HydrophobicContact CG-CD1 3.88Å |
| 566 | N | 85.4 | Confident | 84.9 | Confident | 109 Ų | 109 | 64.9 Ų | 64.9 | 58% | 0.583 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.9 | -42.4 | 177 | -67.3 | -48.2 | 0 | 0 | 0 | 112 | I564 I569 E570 | I564-N566 PolarHBondContact O-N 3.24Å; N566-I569 WeakPolarHBondContact O-CB 3.26Å; N566-I569 PolarHBondContact O-N 3.23Å; N566-E570 WeakPolarHBondContact O-CG 3.44Å; N566-E570 PolarHBondContact O-N 3.34Å |
| 567 | K | 84.8 | Confident | 84.5 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 27% | 0.27 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.4 | -31.6 | -177.9 | -154.5 | 172.4 | -168.1 | 155.4 | 0 | 112.4 | I564 E565 I569 E570 E571 K1012 Y1013 | I564-K567 WeakPolarHBondContact O-CA 3.41Å; I564-K567 PolarHBondContact O-N 3.37Å; E565-K567 VanDerWaalsContact C-N 3.29Å; E565-K567 PolarHBondContact O-N 2.99Å; K567-I569 VanDerWaalsContact C-N 3.31Å; K567-E570 PolarHBondContact O-N 3.14Å; K567-E571 WeakPolarHBondContact CE-OE1 3.37Å; K567-E571 HydrophobicContact CG-CG 4.23Å; K567-E571 WeakPolarHBondContact CG-OE1 3.3Å; K567-E571 VanDerWaalsContact O-CB 3.25Å; K567-E571 WeakPolarHBondContact O-CB 3.44Å; K567-E571 VanDerWaalsContact O-CG 3.31Å; K567-E571 WeakPolarHBondContact O-CG 3.33Å; K567-E571 PolarHBondContact O-N 3.05Å; K567-K1012 PolarHBondContact NZ-O 2.89Å; K567-Y1013 HydrophobicContact CB-CE1 3.83Å; K567-Y1013 HydrophobicContact CD-CD1 4.09Å; K567-Y1013 HydrophobicContact CD-CE1 3.37Å; K567-Y1013 HydrophobicContact CG-CE1 4.19Å |
| 568 | L | 85.2 | Confident | 84.2 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 170.1 | -69.5 | 174.9 | 0 | 0 | 0 | 111.5 | I564 E565 N572 I585 L589 E1029 V1032 | I564-L568 HydrophobicContact CB-CG 4.44Å; I564-L568 HydrophobicContact CD1-CD1 3.74Å; I564-L568 HydrophobicContact CD1-CG 4.34Å; I564-L568 HydrophobicContact CG1-CD1 3.73Å; I564-L568 HydrophobicContact CG1-CG 4.18Å; I564-L568 PolarHBondContact O-N 3.45Å; E565-L568 PolarHBondContact O-N 3.07Å; L568-N572 VanDerWaalsContact O-CB 3.29Å; L568-N572 WeakPolarHBondContact O-CB 3.49Å; L568-N572 PolarHBondContact O-N 3.48Å; L568-N572 VanDerWaalsContact O-N 3.1Å; L568-I585 HydrophobicContact CB-CD1 4.25Å; L568-I585 HydrophobicContact CB-CG2 4.14Å; L568-I585 HydrophobicContact CD1-CG2 4.36Å; L568-I585 WeakPolarHBondContact O-CD1 3.18Å; L568-L589 HydrophobicContact CD1-CD2 4.36Å; L568-E1029 HydrophobicContact CD2-CG 4.31Å; L568-V1032 HydrophobicContact CD1-CB 4.48Å; L568-V1032 HydrophobicContact CD1-CG1 4.23Å; L568-V1032 HydrophobicContact CD1-CG2 4.2Å |
| 569 | I | 83.9 | Confident | 83.9 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | 176.9 | -64.9 | 162.3 | 0 | 0 | 0 | 110.9 | E565 N566 K567 V578 K581 R582 I585 | E565-I569 HydrophobicContact CG-CD1 4.15Å; E565-I569 WeakPolarHBondContact O-CG1 3.48Å; E565-I569 PolarHBondContact O-N 3.46Å; E565-I569 VanDerWaalsContact O-N 3.11Å; N566-I569 WeakPolarHBondContact O-CB 3.26Å; N566-I569 PolarHBondContact O-N 3.23Å; K567-I569 VanDerWaalsContact C-N 3.31Å; I569-V578 HydrophobicContact CG2-CG1 4.35Å; I569-K581 HydrophobicContact CG2-CB 4.18Å; I569-R582 HydrophobicContact CD1-CB 3.99Å; I569-R582 HydrophobicContact CD1-CG 4.09Å; I569-I585 HydrophobicContact CB-CD1 4.27Å; I569-I585 HydrophobicContact CG1-CB 4.28Å; I569-I585 HydrophobicContact CG1-CD1 3.72Å; I569-I585 HydrophobicContact CG1-CG2 4.24Å |
| 570 | E | 82.6 | Confident | 83.4 | Confident | 153 Ų | 153 | 74.4 Ų | 74.4 | 72% | 0.715 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.2 | -47.1 | 174.7 | -69.9 | 171.2 | 179.1 | 0 | 0 | 113.1 | N566 K567 N572 | N566-E570 WeakPolarHBondContact O-CG 3.44Å; N566-E570 PolarHBondContact O-N 3.34Å; K567-E570 PolarHBondContact O-N 3.14Å; E570-N572 VanDerWaalsContact C-N 3.31Å; E570-N572 PolarHBondContact O-N 2.7Å |
| 571 | E | 81.1 | Confident | 83.2 | Confident | 88 Ų | 88 | 75.8 Ų | 75.8 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.8 | -16.6 | -176.5 | -69.6 | 175.9 | -179 | 0 | 0 | 112.6 | K567 R573 K1012 | K567-E571 WeakPolarHBondContact CE-OE1 3.37Å; K567-E571 HydrophobicContact CG-CG 4.23Å; K567-E571 WeakPolarHBondContact CG-OE1 3.3Å; K567-E571 VanDerWaalsContact O-CB 3.25Å; K567-E571 WeakPolarHBondContact O-CB 3.44Å; K567-E571 VanDerWaalsContact O-CG 3.31Å; K567-E571 WeakPolarHBondContact O-CG 3.33Å; K567-E571 PolarHBondContact O-N 3.05Å; E571-R573 PolarHBondContact O-N 2.93Å; E571-K1012 WeakPolarHBondContact OE1-CE 3.37Å; E571-K1012 IonicContact OE1-NZ 3.73Å; E571-K1012 PolarHBondContact OE1-NZ 3.5Å; E571-K1012 IonicContact OE2-NZ 3.37Å; E571-K1012 PolarHBondContact OE2-NZ 3.02Å |
| 572 | N | 77.4 | Confident | 83 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 9% | 0.086 | 38% | 0.381 | C | S | . | . | trans | -68.1 | 113.4 | 175.4 | -178.6 | -3.2 | 0 | 0 | 0 | 112 | L568 E570 E574 K581 I585 | L568-N572 VanDerWaalsContact O-CB 3.29Å; L568-N572 WeakPolarHBondContact O-CB 3.49Å; L568-N572 PolarHBondContact O-N 3.48Å; L568-N572 VanDerWaalsContact O-N 3.1Å; E570-N572 VanDerWaalsContact C-N 3.31Å; E570-N572 PolarHBondContact O-N 2.7Å; N572-E574 PolarHBondContact ND2-OE2 3.41Å; N572-E574 PolarHBondContact O-N 3.43Å; N572-E574 WeakPolarHBondContact OD1-CB 3.46Å; N572-E574 WeakPolarHBondContact OD1-CG 3.43Å; N572-E574 PolarHBondContact OD1-N 2.99Å; N572-E574 PolarHBondContact OD1-OE2 2.96Å; N572-K581 HydrophobicContact CB-CD 4.39Å; N572-K581 PolarHBondContact O-NZ 2.98Å; N572-I585 HydrophobicContact CB-CD1 4.18Å | ||
| 573 | R | 77.4 | Confident | 82.8 | Confident | 241 Ų | 241 | 79.8 Ų | 79.8 | 91% | 0.909 | 37% | 0.374 | S | S | * | . | trans | -81.8 | 0.1 | -176.9 | -58.9 | -174.9 | -178.7 | -174.4 | -0.4 | 115.8 | E571 | E571-R573 PolarHBondContact O-N 2.93Š| ||
| 574 | E | 76.4 | Confident | 82.7 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 28% | 0.276 | 37% | 0.372 | S | S | . | . | trans | -61.4 | 143.7 | -180 | -69.9 | 176.4 | 134.8 | 0 | 0 | 112.4 | N572 I576 K581 K584 | N572-E574 PolarHBondContact ND2-OE2 3.41Å; N572-E574 PolarHBondContact O-N 3.43Å; N572-E574 WeakPolarHBondContact OD1-CB 3.46Å; N572-E574 WeakPolarHBondContact OD1-CG 3.43Å; N572-E574 PolarHBondContact OD1-N 2.99Å; N572-E574 PolarHBondContact OD1-OE2 2.96Å; E574-I576 HydrophobicContact CB-CD1 4.31Å; E574-I576 HydrophobicContact CB-CG1 3.88Å; E574-I576 PolarHBondContact O-N 3.26Å; E574-I576 VanDerWaalsContact O-N 3.09Å; E574-K581 WeakPolarHBondContact O-CE 3.44Å; E574-K581 PolarHBondContact O-NZ 3.21Å; E574-K584 IonicContact OE1-NZ 3.2Å; E574-K584 PolarHBondContact OE1-NZ 3.11Å; E574-K584 IonicContact OE2-NZ 3.23Å; E574-K584 PolarHBondContact OE2-NZ 3.23Å | ||
| 575 | K | 77.9 | Confident | 82.6 | Confident | 222 Ų | 222 | 80.5 Ų | 80.5 | 97% | 0.965 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -85.6 | 45.3 | 179.8 | -65 | -170.7 | 179.1 | -177.6 | 0 | 112.7 | ||
| 576 | I | 79.5 | Confident | 82.7 | Confident | 52 Ų | 52 | 82.3 Ų | 82.3 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -110.5 | 165.4 | 176.4 | 56.4 | 168.7 | 0 | 0 | 0 | 110.4 | E574 E580 K581 K584 | E574-I576 HydrophobicContact CB-CD1 4.31Å; E574-I576 HydrophobicContact CB-CG1 3.88Å; E574-I576 PolarHBondContact O-N 3.26Å; E574-I576 VanDerWaalsContact O-N 3.09Å; I576-E580 HydrophobicContact CB-CG 4.29Å; I576-E580 WeakPolarHBondContact CB-OE2 3.07Å; I576-E580 HydrophobicContact CD1-CG 4.16Å; I576-K581 HydrophobicContact CD1-CG 3.8Å; I576-K581 HydrophobicContact CG1-CD 4.5Å; I576-K581 HydrophobicContact CG1-CG 3.62Å; I576-K581 WeakPolarHBondContact O-CE 3.48Å; I576-K584 HydrophobicContact CD1-CD 4.25Å |
| 577 | S | 83.4 | Confident | 82.7 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 46% | 0.462 | 35% | 0.353 | S | S | . | . | trans | -67 | 152.8 | -177 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | E579 E580 K581 | S577-E579 VanDerWaalsContact C-N 3.25Å; S577-E579 PolarHBondContact O-N 3.01Å; S577-E580 PolarHBondContact N-OE2 2.97Å; S577-E580 VanDerWaalsContact N-OE2 3.15Å; S577-E580 WeakPolarHBondContact O-CB 3.39Å; S577-E580 PolarHBondContact O-N 3.44Å; S577-E580 VanDerWaalsContact O-N 3.13Å; S577-E580 WeakPolarHBondContact OG-CB 3.45Å; S577-E580 PolarHBondContact OG-N 3.08Å; S577-E580 PolarHBondContact OG-OE2 3.2Å; S577-K581 WeakPolarHBondContact O-CG 3.11Å; S577-K581 PolarHBondContact O-N 3.18Å | ||
| 578 | V | 82.8 | Confident | 82.9 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 61% | 0.612 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.6 | -36.6 | -176.4 | -180 | 0 | 0 | 0 | 0 | 112 | I569 K581 R582 | I569-V578 HydrophobicContact CG2-CG1 4.35Å; V578-K581 WeakPolarHBondContact O-CB 3.13Å; V578-K581 PolarHBondContact O-N 3.5Å; V578-R582 PolarHBondContact O-N 3.47Å |
| 579 | E | 83.2 | Confident | 83.1 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72 | -34.3 | 178.3 | -178 | 53.7 | -156.4 | 0 | 0 | 112.2 | S577 R582 R583 | S577-E579 VanDerWaalsContact C-N 3.25Å; S577-E579 PolarHBondContact O-N 3.01Å; E579-R582 WeakPolarHBondContact O-CB 3.38Å; E579-R582 PolarHBondContact O-N 2.91Å; E579-R582 IonicContact OE2-CZ 3.59Å; E579-R582 IonicContact OE2-NH1 3.23Å; E579-R582 PolarHBondContact OE2-NH1 2.86Å; E579-R583 VanDerWaalsContact O-CG 3.31Å; E579-R583 WeakPolarHBondContact O-CG 3.5Å; E579-R583 PolarHBondContact O-N 2.92Å; E579-R583 IonicContact OE1-NE 3.93Å; E579-R583 PolarHBondContact OE1-NE 3.01Å; E579-R583 IonicContact OE1-NH2 2.64Å |
| 580 | E | 81.6 | Confident | 83.2 | Confident | 93 Ų | 93 | 79 Ų | 79 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 172.2 | -171.8 | -176.4 | 177 | 0 | 0 | 111.9 | I576 S577 R583 K584 | I576-E580 HydrophobicContact CB-CG 4.29Å; I576-E580 WeakPolarHBondContact CB-OE2 3.07Å; I576-E580 HydrophobicContact CD1-CG 4.16Å; S577-E580 PolarHBondContact N-OE2 2.97Å; S577-E580 VanDerWaalsContact N-OE2 3.15Å; S577-E580 WeakPolarHBondContact O-CB 3.39Å; S577-E580 PolarHBondContact O-N 3.44Å; S577-E580 VanDerWaalsContact O-N 3.13Å; S577-E580 WeakPolarHBondContact OG-CB 3.45Å; S577-E580 PolarHBondContact OG-N 3.08Å; S577-E580 PolarHBondContact OG-OE2 3.2Å; E580-R583 PolarHBondContact O-N 2.9Å; E580-K584 VanDerWaalsContact O-CB 3.24Å; E580-K584 WeakPolarHBondContact O-CB 3.46Å; E580-K584 PolarHBondContact O-N 2.88Å |
| 581 | K | 83.7 | Confident | 83.5 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 168.2 | -67.1 | -175.7 | -177.4 | -172.6 | 0 | 111.3 | I569 N572 E574 I576 S577 V578 K584 I585 | I569-K581 HydrophobicContact CG2-CB 4.18Å; N572-K581 HydrophobicContact CB-CD 4.39Å; N572-K581 PolarHBondContact O-NZ 2.98Å; E574-K581 WeakPolarHBondContact O-CE 3.44Å; E574-K581 PolarHBondContact O-NZ 3.21Å; I576-K581 HydrophobicContact CD1-CG 3.8Å; I576-K581 HydrophobicContact CG1-CD 4.5Å; I576-K581 HydrophobicContact CG1-CG 3.62Å; I576-K581 WeakPolarHBondContact O-CE 3.48Å; S577-K581 WeakPolarHBondContact O-CG 3.11Å; S577-K581 PolarHBondContact O-N 3.18Å; V578-K581 WeakPolarHBondContact O-CB 3.13Å; V578-K581 PolarHBondContact O-N 3.5Å; K581-K584 PolarHBondContact O-N 2.78Å; K581-I585 WeakPolarHBondContact O-CB 3.36Å; K581-I585 WeakPolarHBondContact O-CG1 3.32Å; K581-I585 PolarHBondContact O-N 2.92Å |
| 582 | R | 85.8 | Confident | 83.9 | Confident | 114 Ų | 114 | 68.4 Ų | 68.4 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.9 | -52.7 | 177 | 176.5 | -178.1 | -74.6 | 139.8 | -8 | 110.8 | I569 V578 E579 K584 I585 H586 | I569-R582 HydrophobicContact CD1-CB 3.99Å; I569-R582 HydrophobicContact CD1-CG 4.09Å; V578-R582 PolarHBondContact O-N 3.47Å; E579-R582 WeakPolarHBondContact O-CB 3.38Å; E579-R582 PolarHBondContact O-N 2.91Å; E579-R582 IonicContact OE2-CZ 3.59Å; E579-R582 IonicContact OE2-NH1 3.23Å; E579-R582 PolarHBondContact OE2-NH1 2.86Å; R582-K584 PolarHBondContact O-N 2.9Å; R582-I585 PolarHBondContact O-N 2.88Å; R582-H586 WeakPolarHBondContact O-CB 2.96Å; R582-H586 PolarHBondContact O-N 3.37Å |
| 583 | R | 84.8 | Confident | 84.4 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 35% | 0.347 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 177.8 | -70.2 | 162.8 | -176.8 | -140.5 | 14.4 | 112.3 | D92 E579 E580 G587 | D92-R583 VanDerWaalsContact OD1-CD 3.25Å; D92-R583 WeakPolarHBondContact OD1-CD 3.4Å; D92-R583 IonicContact OD1-CZ 3.76Å; D92-R583 IonicContact OD1-NE 2.87Å; D92-R583 IonicContact OD1-NH1 3.79Å; D92-R583 PolarHBondContact OD1-NH1 3.37Å; D92-R583 IonicContact OD2-NH1 2.81Å; E579-R583 VanDerWaalsContact O-CG 3.31Å; E579-R583 WeakPolarHBondContact O-CG 3.5Å; E579-R583 PolarHBondContact O-N 2.92Å; E579-R583 IonicContact OE1-NE 3.93Å; E579-R583 PolarHBondContact OE1-NE 3.01Å; E579-R583 IonicContact OE1-NH2 2.64Å; E580-R583 PolarHBondContact O-N 2.9Å; R583-G587 PolarHBondContact O-N 2.89Å |
| 584 | K | 84.7 | Confident | 84.9 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 177.5 | -177 | 173.4 | 177.9 | 178.9 | 0 | 111.8 | L93 E574 I576 E580 K581 R582 G587 I588 | L93-K584 HydrophobicContact CD1-CG 4.46Å; L93-K584 VanDerWaalsContact CD1-O 3.28Å; L93-K584 WeakPolarHBondContact CD1-O 3.31Å; E574-K584 IonicContact OE1-NZ 3.2Å; E574-K584 PolarHBondContact OE1-NZ 3.11Å; E574-K584 IonicContact OE2-NZ 3.23Å; E574-K584 PolarHBondContact OE2-NZ 3.23Å; I576-K584 HydrophobicContact CD1-CD 4.25Å; E580-K584 VanDerWaalsContact O-CB 3.24Å; E580-K584 WeakPolarHBondContact O-CB 3.46Å; E580-K584 PolarHBondContact O-N 2.88Å; K581-K584 PolarHBondContact O-N 2.78Å; R582-K584 PolarHBondContact O-N 2.9Å; K584-G587 PolarHBondContact O-N 2.94Å; K584-I588 HydrophobicContact CG-CD1 3.99Å; K584-I588 WeakPolarHBondContact O-CD1 3.28Å; K584-I588 VanDerWaalsContact O-CG1 3.23Å; K584-I588 WeakPolarHBondContact O-CG1 3.2Å; K584-I588 PolarHBondContact O-N 3.31Å |
| 585 | I | 87.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | -178.2 | -74 | 163.8 | 0 | 0 | 0 | 110.7 | E565 L568 I569 N572 K581 R582 G587 I588 L589 | E565-I585 HydrophobicContact CG-CG2 4.49Å; L568-I585 HydrophobicContact CB-CD1 4.25Å; L568-I585 HydrophobicContact CB-CG2 4.14Å; L568-I585 HydrophobicContact CD1-CG2 4.36Å; L568-I585 WeakPolarHBondContact O-CD1 3.18Å; I569-I585 HydrophobicContact CB-CD1 4.27Å; I569-I585 HydrophobicContact CG1-CB 4.28Å; I569-I585 HydrophobicContact CG1-CD1 3.72Å; I569-I585 HydrophobicContact CG1-CG2 4.24Å; N572-I585 HydrophobicContact CB-CD1 4.18Å; K581-I585 WeakPolarHBondContact O-CB 3.36Å; K581-I585 WeakPolarHBondContact O-CG1 3.32Å; K581-I585 PolarHBondContact O-N 2.92Å; R582-I585 PolarHBondContact O-N 2.88Å; I585-G587 VanDerWaalsContact C-N 3.32Å; I585-G587 PolarHBondContact O-N 3.35Å; I585-I588 PolarHBondContact O-N 3.37Å; I585-L589 HydrophobicContact CG2-CD1 3.47Å; I585-L589 VanDerWaalsContact CG2-CD1 3.47Å; I585-L589 HydrophobicContact CG2-CG 4.25Å; I585-L589 WeakPolarHBondContact O-CB 3.34Å; I585-L589 WeakPolarHBondContact O-CD1 3.42Å; I585-L589 WeakPolarHBondContact O-CG 3.26Å; I585-L589 PolarHBondContact O-N 3.26Å |
| 586 | H | 87.8 | Confident | 86.4 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.1 | -167.6 | 67.4 | 0 | 0 | 0 | 112.5 | E565 R582 L589 R590 | E565-H586 IonicContact OE1-CE1 2.78Å; E565-H586 PolarHBondContact OE1-CE1 3.15Å; E565-H586 IonicContact OE1-CG 3.52Å; E565-H586 IonicContact OE1-ND1 2.8Å; E565-H586 PolarHBondContact OE1-ND1 3.3Å; E565-H586 VanDerWaalsContact OE1-ND1 3.15Å; E565-H586 IonicContact OE2-CE1 3.81Å; E565-H586 PolarHBondContact OE2-CE1 3.38Å; E565-H586 VanDerWaalsContact OE2-CE1 3.32Å; R582-H586 WeakPolarHBondContact O-CB 2.96Å; R582-H586 PolarHBondContact O-N 3.37Å; H586-L589 PolarHBondContact O-N 2.96Å; H586-R590 PolarHBondContact CD2-NE 2.93Å; H586-R590 WeakPolarHBondContact O-CG 3.5Å; H586-R590 PolarHBondContact O-N 3.18Å |
| 587 | G | 85.7 | Confident | 87.1 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R583 K584 I585 L589 R590 Y591 | R583-G587 PolarHBondContact O-N 2.89Å; K584-G587 PolarHBondContact O-N 2.94Å; I585-G587 VanDerWaalsContact C-N 3.32Å; I585-G587 PolarHBondContact O-N 3.35Å; G587-L589 VanDerWaalsContact C-N 3.33Å; G587-L589 PolarHBondContact O-N 3.18Å; G587-R590 PolarHBondContact O-N 3.46Å; G587-Y591 PolarHBondContact O-N 2.96Å |
| 588 | I | 88.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 173.2 | -64.3 | 160 | 0 | 0 | 0 | 110.4 | K584 I585 R590 Y591 I592 V1032 Y1035 I1036 F1040 | K584-I588 HydrophobicContact CG-CD1 3.99Å; K584-I588 WeakPolarHBondContact O-CD1 3.28Å; K584-I588 VanDerWaalsContact O-CG1 3.23Å; K584-I588 WeakPolarHBondContact O-CG1 3.2Å; K584-I588 PolarHBondContact O-N 3.31Å; I585-I588 PolarHBondContact O-N 3.37Å; I588-R590 VanDerWaalsContact C-N 3.31Å; I588-R590 PolarHBondContact O-N 2.9Å; I588-Y591 PolarHBondContact O-N 3.18Å; I588-I592 HydrophobicContact CG2-CD1 3.8Å; I588-I592 HydrophobicContact CG2-CG1 4.48Å; I588-I592 VanDerWaalsContact O-CG1 3.3Å; I588-I592 WeakPolarHBondContact O-CG1 3.48Å; I588-I592 PolarHBondContact O-N 2.85Å; I588-I592 VanDerWaalsContact O-N 3.08Å; I588-V1032 HydrophobicContact CG2-CB 4.33Å; I588-V1032 HydrophobicContact CG2-CG1 4.3Å; I588-V1032 HydrophobicContact CG2-CG2 3.94Å; I588-Y1035 HydrophobicContact CG2-CD2 3.96Å; I588-Y1035 HydrophobicContact CG2-CG 4.18Å; I588-I1036 HydrophobicContact CD1-CG1 3.87Å; I588-F1040 HydrophobicContact CB-CD2 4.34Å; I588-F1040 HydrophobicContact CB-CE2 3.94Å; I588-F1040 HydrophobicContact CB-CZ 4.38Å; I588-F1040 HydrophobicContact CG1-CB 4.46Å; I588-F1040 HydrophobicContact CG1-CD1 4.31Å; I588-F1040 HydrophobicContact CG1-CD2 3.5Å; I588-F1040 HydrophobicContact CG1-CE1 4.43Å; I588-F1040 HydrophobicContact CG1-CE2 3.57Å; I588-F1040 HydrophobicContact CG1-CG 3.86Å; I588-F1040 HydrophobicContact CG1-CZ 4.07Å; I588-F1040 HydrophobicContact CG2-CE2 4.16Å |
| 589 | L | 89.4 | Confident | 88.2 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -34.2 | -179.7 | -67.5 | 162.8 | 0 | 0 | 0 | 112.4 | R561 E565 L568 I585 H586 G587 I1028 V1032 | R561-L589 HydrophobicContact CG-CB 4.15Å; R561-L589 HydrophobicContact CG-CD1 3.76Å; R561-L589 HydrophobicContact CG-CD2 4.03Å; R561-L589 HydrophobicContact CG-CG 4.17Å; E565-L589 HydrophobicContact CB-CD1 4.22Å; E565-L589 HydrophobicContact CG-CD1 3.88Å; L568-L589 HydrophobicContact CD1-CD2 4.36Å; I585-L589 HydrophobicContact CG2-CD1 3.47Å; I585-L589 VanDerWaalsContact CG2-CD1 3.47Å; I585-L589 HydrophobicContact CG2-CG 4.25Å; I585-L589 WeakPolarHBondContact O-CB 3.34Å; I585-L589 WeakPolarHBondContact O-CD1 3.42Å; I585-L589 WeakPolarHBondContact O-CG 3.26Å; I585-L589 PolarHBondContact O-N 3.26Å; H586-L589 PolarHBondContact O-N 2.96Å; G587-L589 VanDerWaalsContact C-N 3.33Å; G587-L589 PolarHBondContact O-N 3.18Å; L589-I1028 HydrophobicContact CD2-CG2 3.36Å; L589-V1032 HydrophobicContact CD2-CG2 3.69Å; L589-V1032 HydrophobicContact CG-CG2 4.38Å |
| 590 | R | 86.5 | Confident | 88.8 | Confident | 131 Ų | 131 | 33.2 Ų | 33.2 | 49% | 0.494 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67.5 | -42.1 | 171.5 | -74.9 | 177.5 | -179.5 | -150.7 | -0.5 | 112.8 | H586 G587 I588 I592 Q593 | H586-R590 PolarHBondContact CD2-NE 2.93Å; H586-R590 WeakPolarHBondContact O-CG 3.5Å; H586-R590 PolarHBondContact O-N 3.18Å; G587-R590 PolarHBondContact O-N 3.46Å; I588-R590 VanDerWaalsContact C-N 3.31Å; I588-R590 PolarHBondContact O-N 2.9Å; R590-I592 VanDerWaalsContact C-N 3.31Å; R590-I592 PolarHBondContact O-N 2.64Å; R590-Q593 PolarHBondContact O-N 2.92Å |
| 591 | Y | 88.4 | Confident | 89.2 | Confident | 13 Ų | 13 | 29 Ų | 29 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 177.5 | -175 | -153 | 0 | 0 | 0 | 112 | P85 M95 G587 I588 Q593 V594 N596 Y1035 F1040 | P85-Y591 HydrophobicContact CG-CD1 4.02Å; P85-Y591 HydrophobicContact CG-CE1 3.9Å; P85-Y591 HydrophobicContact CG-CG 4.48Å; M95-Y591 HydrophobicContact CE-CD2 3.25Å; M95-Y591 HydrophobicContact CE-CE2 3.77Å; M95-Y591 HydrophobicContact CE-CG 3.91Å; M95-Y591 HydrophobicContact SD-CD2 3.97Å; M95-Y591 HydrophobicContact SD-CG 4.02Å; G587-Y591 PolarHBondContact O-N 2.96Å; I588-Y591 PolarHBondContact O-N 3.18Å; Y591-Q593 PolarHBondContact O-N 3.18Å; Y591-Q593 VanDerWaalsContact O-N 3.1Å; Y591-V594 HydrophobicContact CD2-CG2 4.1Å; Y591-V594 WeakPolarHBondContact O-CG2 3.46Å; Y591-V594 PolarHBondContact O-N 3.15Å; Y591-N596 VanDerWaalsContact CE2-OD1 3.25Å; Y591-N596 WeakPolarHBondContact CE2-OD1 3.09Å; Y591-N596 PolarHBondContact OH-ND2 3.07Å; Y591-N596 PolarHBondContact OH-OD1 2.93Å; Y591-Y1035 AromaticContact CD1-CE1 3.94Å; Y591-Y1035 HydrophobicContact CD1-CE1 3.94Å; Y591-Y1035 AromaticContact CD1-CZ 3.82Å; Y591-Y1035 AromaticContact CE1-CE1 3.75Å; Y591-Y1035 HydrophobicContact CE1-CE1 3.75Å; Y591-Y1035 AromaticContact CE1-CZ 3.83Å; Y591-Y1035 WeakPolarHBondContact CE1-OH 3.4Å; Y591-F1040 HydrophobicContact CD1-CD2 4.48Å; Y591-F1040 AromaticContact CD1-CE2 3.53Å; Y591-F1040 HydrophobicContact CD1-CE2 3.53Å; Y591-F1040 AromaticContact CD1-CZ 3.82Å; Y591-F1040 HydrophobicContact CD1-CZ 3.82Å; Y591-F1040 HydrophobicContact CE1-CE2 4.43Å; Y591-F1040 HydrophobicContact CG-CE2 4.23Å; Y591-F1040 HydrophobicContact CG-CZ 4.15Å |
| 592 | I | 90 | Very high | 89.5 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.5 | 178.8 | -69.7 | 168.3 | 0 | 0 | 0 | 112.8 | I588 R590 H622 Y653 I1028 I1031 V1032 Y1035 | I588-I592 HydrophobicContact CG2-CD1 3.8Å; I588-I592 HydrophobicContact CG2-CG1 4.48Å; I588-I592 VanDerWaalsContact O-CG1 3.3Å; I588-I592 WeakPolarHBondContact O-CG1 3.48Å; I588-I592 PolarHBondContact O-N 2.85Å; I588-I592 VanDerWaalsContact O-N 3.08Å; R590-I592 VanDerWaalsContact C-N 3.31Å; R590-I592 PolarHBondContact O-N 2.64Å; I592-H622 PolarHBondContact O-CE1 2.89Å; I592-H622 PolarHBondContact O-NE2 3.11Å; I592-Y653 HydrophobicContact CG2-CE1 3.82Å; I592-Y653 PolarHBondContact O-OH 2.87Å; I592-I1028 HydrophobicContact CD1-CG2 4.45Å; I592-I1031 HydrophobicContact CD1-CB 4.1Å; I592-I1031 HydrophobicContact CD1-CG2 3.6Å; I592-I1031 HydrophobicContact CG1-CG2 3.7Å; I592-V1032 HydrophobicContact CD1-CG2 3.59Å; I592-Y1035 HydrophobicContact CD1-CD2 4.28Å; I592-Y1035 HydrophobicContact CD1-CE2 4.4Å; I592-Y1035 HydrophobicContact CG1-CD2 4.3Å; I592-Y1035 HydrophobicContact CG1-CE2 3.95Å |
| 593 | Q | 87.4 | Confident | 89.5 | Confident | 25 Ų | 25 | 22.9 Ų | 22.9 | 12% | 0.117 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -12.8 | -179.8 | -68.1 | 178.6 | -15.2 | 0 | 0 | 114.7 | F550 N554 N558 R590 Y591 | F550-Q593 WeakPolarHBondContact CZ-O 3.36Å; N554-Q593 PolarHBondContact OD1-O 2.85Å; N558-Q593 PolarHBondContact OD1-NE2 3.02Å; R590-Q593 PolarHBondContact O-N 2.92Å; Y591-Q593 PolarHBondContact O-N 3.18Å; Y591-Q593 VanDerWaalsContact O-N 3.1Å |
| 594 | V | 88 | Confident | 89.5 | Confident | 40 Ų | 40 | 18.7 Ų | 18.7 | 24% | 0.242 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -113.7 | 138.1 | -176.9 | -67.6 | 0 | 0 | 0 | 0 | 110.5 | C83 M95 Y591 N596 | C83-V594 HydrophobicContact CB-CG2 4.4Å; M95-V594 HydrophobicContact CE-CG2 4.02Å; Y591-V594 HydrophobicContact CD2-CG2 4.1Å; Y591-V594 WeakPolarHBondContact O-CG2 3.46Å; Y591-V594 PolarHBondContact O-N 3.15Å; V594-N596 PolarHBondContact O-N 2.92Å |
| 595 | P | 92.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 16.6 Ų | 16.6 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | trans | -67.4 | 129.6 | 179.1 | 29.5 | -36.2 | 0 | 0 | 0 | 110.7 | Y81 C83 K597 V598 C620 H622 T645 | Y81-P595 HydrophobicContact CE1-CG 4.05Å; Y81-P595 WeakPolarHBondContact CE1-O 3.43Å; C83-P595 WeakPolarHBondContact CB-O 3.45Å; P595-K597 PolarHBondContact O-N 3.25Å; P595-V598 HydrophobicContact CB-CG2 4.29Å; P595-V598 HydrophobicContact CG-CG2 4.18Å; P595-C620 VanDerWaalsContact CB-SG 3.59Å; P595-H622 WeakPolarHBondContact CA-O 3.29Å; P595-T645 HydrophobicContact CB-CG2 4.03Å; P595-T645 HydrophobicContact CG-CG2 3.63Å | ||
| 596 | N | 93.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -49.8 | -47.5 | 172.8 | -77.4 | 27.8 | 0 | 0 | 0 | 111.4 | V82 C83 Y591 V594 Q621 H622 E624 | V82-N596 WeakPolarHBondContact CA-O 3.36Å; C83-N596 PolarHBondContact N-O 2.82Å; Y591-N596 VanDerWaalsContact CE2-OD1 3.25Å; Y591-N596 WeakPolarHBondContact CE2-OD1 3.09Å; Y591-N596 PolarHBondContact OH-ND2 3.07Å; Y591-N596 PolarHBondContact OH-OD1 2.93Å; V594-N596 PolarHBondContact O-N 2.92Å; N596-Q621 PolarHBondContact N-O 3.5Å; N596-H622 PolarHBondContact N-O 3.36Å; N596-H622 PolarHBondContact OD1-O 2.69Å; N596-E624 PolarHBondContact ND2-N 3.35Å; N596-E624 PolarHBondContact ND2-OE2 3.27Å |
| 597 | K | 94.5 | Very high | 88.9 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 141.9 | -172.6 | -52.4 | -172.7 | 169.5 | 81.3 | 0 | 113.3 | Y81 V82 E172 K176 P595 Q621 E624 F697 | Y81-K597 WeakPolarHBondContact O-CA 3.33Å; V82-K597 HydrophobicContact CG1-CD 4.48Å; V82-K597 HydrophobicContact CG1-CG 4.21Å; E172-K597 IonicContact OE1-NZ 3.88Å; E172-K597 WeakPolarHBondContact OE2-CE 3.34Å; E172-K597 IonicContact OE2-NZ 3.52Å; E172-K597 PolarHBondContact OE2-NZ 2.77Å; K176-K597 HydrophobicContact CD-CD 4.32Å; K176-K597 HydrophobicContact CG-CD 4.29Å; P595-K597 PolarHBondContact O-N 3.25Å; K597-Q621 HydrophobicContact CB-CB 4.41Å; K597-Q621 PolarHBondContact N-O 2.92Å; K597-Q621 PolarHBondContact O-N 3.44Å; K597-E624 IonicContact NZ-OE1 3.39Å; K597-E624 PolarHBondContact NZ-OE1 3.26Å; K597-E624 IonicContact NZ-OE2 2.88Å; K597-E624 PolarHBondContact NZ-OE2 3.04Å; K597-F697 HydrophobicContact CB-CE1 4.38Å; K597-F697 HydrophobicContact CB-CZ 3.96Å |
| 598 | V | 94.6 | Very high | 89 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.5 | 168.1 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | L80 Y81 P595 C620 Q641 | L80-V598 WeakPolarHBondContact CA-O 3.13Å; Y81-V598 HydrophobicContact CD1-CB 4.48Å; Y81-V598 HydrophobicContact CD1-CG2 4.15Å; Y81-V598 PolarHBondContact N-O 2.9Å; Y81-V598 PolarHBondContact O-N 3.44Å; P595-V598 HydrophobicContact CB-CG2 4.29Å; P595-V598 HydrophobicContact CG-CG2 4.18Å; V598-C620 HydrophobicContact CG1-CB 4.47Å; V598-C620 HydrophobicContact CG2-CB 4.11Å; V598-Q641 HydrophobicContact CG1-CG 4.1Å |
| 599 | L | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119 | 173 | 172.6 | 66.3 | 0 | 0 | 0 | 109.6 | K78 F178 V601 W618 R619 K695 F697 | K78-L599 HydrophobicContact CB-CD1 4.29Å; F178-L599 HydrophobicContact CE2-CD1 4.2Å; F178-L599 HydrophobicContact CZ-CD1 4.2Å; L599-V601 HydrophobicContact CD1-CG1 3.97Å; L599-V601 HydrophobicContact CD2-CG1 4.03Å; L599-V601 HydrophobicContact CG-CG1 3.9Å; L599-W618 CarbonylContact O-C 3.59Å; L599-W618 VanDerWaalsContact O-CA 3.3Å; L599-W618 WeakPolarHBondContact O-CA 3.4Å; L599-R619 PolarHBondContact N-O 3.25Å; L599-R619 PolarHBondContact O-N 3.16Å; L599-K695 HydrophobicContact CD2-CB 3.88Å; L599-K695 HydrophobicContact CD2-CG 4.31Å; L599-F697 HydrophobicContact CB-CD1 4.28Å; L599-F697 HydrophobicContact CB-CD2 3.9Å; L599-F697 HydrophobicContact CB-CE1 3.98Å; L599-F697 HydrophobicContact CB-CE2 3.57Å; L599-F697 HydrophobicContact CB-CG 4.23Å; L599-F697 HydrophobicContact CB-CZ 3.61Å; L599-F697 HydrophobicContact CD2-CB 4.22Å; L599-F697 HydrophobicContact CD2-CD2 3.48Å; L599-F697 VanDerWaalsContact CD2-CD2 3.48Å; L599-F697 HydrophobicContact CD2-CE2 3.94Å; L599-F697 HydrophobicContact CD2-CG 3.91Å; L599-F697 HydrophobicContact CG-CD2 4.29Å; L599-F697 HydrophobicContact CG-CE2 4.29Å |
| 600 | H | 94 | Very high | 88.2 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.9 | 161.3 | 169 | -105.9 | 0 | 0 | 0 | 109.3 | K78 V79 A617 W618 | K78-H600 CarbonylContact C-O 3.55Å; K78-H600 WeakPolarHBondContact CA-O 3.4Å; K78-H600 VanDerWaalsContact CB-O 3.25Å; K78-H600 WeakPolarHBondContact CB-O 3.36Å; V79-H600 HydrophobicContact CB-CB 4.35Å; V79-H600 PolarHBondContact N-O 3.36Å; V79-H600 PolarHBondContact O-N 3.08Å; H600-A617 WeakPolarHBondContact CA-O 3.49Å; H600-W618 AromaticContact CD2-CE2 3.55Å; H600-W618 AromaticContact CD2-CZ2 3.74Å; H600-W618 AromaticContact CD2-NE1 3.56Å; H600-W618 AromaticContact CG-NE1 3.93Å |
| 601 | V | 91.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138 | 169.8 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | K78 L599 F603 A617 E691 | K78-V601 HydrophobicContact CB-CG1 4.04Å; L599-V601 HydrophobicContact CD1-CG1 3.97Å; L599-V601 HydrophobicContact CD2-CG1 4.03Å; L599-V601 HydrophobicContact CG-CG1 3.9Å; V601-F603 HydrophobicContact CG2-CD1 4Å; V601-F603 HydrophobicContact CG2-CE1 4.23Å; V601-A617 HydrophobicContact CG2-CB 3.94Å; V601-A617 PolarHBondContact N-O 2.81Å; V601-A617 PolarHBondContact O-N 3.25Å; V601-E691 HydrophobicContact CG1-CB 4.48Å |
| 602 | S | 89.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 8% | 0.084 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.7 | 164.6 | 68.2 | 0 | 0 | 0 | 0 | 108.3 | P76 S77 | P76-S602 PolarHBondContact O-OG 3.4Å; S77-S602 PolarHBondContact O-N 3.12Å |
| 603 | F | 86.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.5 | 178.5 | 63.6 | -93 | 0 | 0 | 0 | 111.8 | V601 I605 I614 I615 A617 I684 R687 L688 | V601-F603 HydrophobicContact CG2-CD1 4Å; V601-F603 HydrophobicContact CG2-CE1 4.23Å; F603-I605 HydrophobicContact CE2-CG2 4.36Å; F603-I614 WeakPolarHBondContact O-CG2 3.32Å; F603-I615 HydrophobicContact CD2-CB 4.1Å; F603-I615 HydrophobicContact CD2-CG2 4.48Å; F603-I615 HydrophobicContact CE1-CB 4.36Å; F603-I615 HydrophobicContact CE1-CG2 3.92Å; F603-I615 HydrophobicContact CE2-CB 3.74Å; F603-I615 HydrophobicContact CE2-CG1 4.16Å; F603-I615 HydrophobicContact CE2-CG2 3.7Å; F603-I615 HydrophobicContact CZ-CB 3.9Å; F603-I615 HydrophobicContact CZ-CG2 3.38Å; F603-I615 PolarHBondContact N-O 3.28Å; F603-I615 WeakPolarHBondContact O-CB 3.25Å; F603-I615 PolarHBondContact O-N 3.3Å; F603-A617 HydrophobicContact CE1-CB 4.25Å; F603-I684 HydrophobicContact CZ-CG2 4.35Å; F603-R687 HydrophobicContact CB-CG 4.24Å; F603-R687 HydrophobicContact CD2-CB 3.94Å; F603-R687 HydrophobicContact CD2-CG 3.35Å; F603-R687 HydrophobicContact CE2-CB 3.83Å; F603-R687 HydrophobicContact CE2-CG 3.79Å; F603-R687 HydrophobicContact CG-CG 3.85Å; F603-L688 HydrophobicContact CE1-CB 4.27Å; F603-L688 HydrophobicContact CE1-CD1 3.65Å; F603-L688 HydrophobicContact CZ-CB 4.02Å; F603-L688 HydrophobicContact CZ-CD1 4.08Å |
| 604 | P | 83 | Confident | 86.6 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 160.8 | -179.2 | 31.2 | -35.3 | 0 | 0 | 0 | 114.7 | T525 N526 | T525-P604 WeakPolarHBondContact O-CB 3.47Å; T525-P604 VanDerWaalsContact O-CG 3.29Å; T525-P604 WeakPolarHBondContact O-CG 3.37Å; T525-P604 WeakPolarHBondContact OG1-CG 3.41Å; T525-P604 PolarHBondContact OG1-O 3.4Å; N526-P604 VanDerWaalsContact N-CB 3.34Å; N526-P604 WeakPolarHBondContact O-CB 3.39Å |
| 605 | I | 82.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 159.8 | 167.7 | 62.1 | 165.6 | 0 | 0 | 0 | 111.6 | N526 F603 F612 E613 I615 Y676 I684 | N526-I605 PolarHBondContact O-N 3.15Å; F603-I605 HydrophobicContact CE2-CG2 4.36Å; I605-F612 WeakPolarHBondContact O-CA 3.34Å; I605-F612 WeakPolarHBondContact O-CD1 3.31Å; I605-E613 HydrophobicContact CD1-CB 4.4Å; I605-E613 HydrophobicContact CG1-CB 4.06Å; I605-E613 PolarHBondContact O-N 2.98Å; I605-I615 HydrophobicContact CB-CG1 4.49Å; I605-I615 HydrophobicContact CD1-CD1 3.79Å; I605-I615 HydrophobicContact CD1-CG1 4.07Å; I605-I615 HydrophobicContact CG1-CD1 4.14Å; I605-I615 HydrophobicContact CG1-CG1 3.95Å; I605-I615 HydrophobicContact CG2-CG1 3.82Å; I605-Y676 HydrophobicContact CD1-CE1 4.43Å; I605-I684 HydrophobicContact CD1-CD1 3.95Å; I605-I684 HydrophobicContact CD1-CG1 3.89Å; I605-I684 HydrophobicContact CG2-CG1 3.92Å |
| 606 | R | 80.7 | Confident | 86.6 | Confident | 96 Ų | 96 | 26.5 Ų | 26.5 | 36% | 0.362 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.2 | 162.8 | -171.7 | 177.4 | -170.1 | -167.6 | -0.5 | 108.8 | E61 T525 E611 F612 K683 | E61-R606 IonicContact OE1-NH2 3.76Å; E61-R606 PolarHBondContact OE1-NH2 3.03Å; T525-R606 HydrophobicContact CG2-CB 3.98Å; R606-E611 WeakPolarHBondContact CA-O 3.4Å; R606-F612 HydrophobicContact CB-CD1 3.85Å; R606-F612 HydrophobicContact CB-CE1 3.63Å; R606-F612 HydrophobicContact CG-CD1 3.97Å; R606-F612 HydrophobicContact CG-CE1 3.55Å; R606-F612 HydrophobicContact CG-CZ 4.15Å; R606-K683 PolarHBondContact O-NZ 2.83Å; R606-K683 VanDerWaalsContact O-NZ 3.15Å |
| 607 | R | 84.9 | Confident | 86.6 | Confident | 44 Ų | 44 | 26.3 Ų | 26.3 | 17% | 0.166 | 13% | 0.127 | C | C | . | . | trans | -65.5 | 157.3 | 173.3 | -64.3 | -145 | 72.2 | 140.8 | -6.9 | 111.7 | N609 G610 E611 E613 K675 E680 | R607-N609 WeakPolarHBondContact CB-OD1 3.37Å; R607-N609 PolarHBondContact O-N 2.89Å; R607-G610 PolarHBondContact O-N 3.1Å; R607-E611 HydrophobicContact CB-CB 4.44Å; R607-E611 WeakPolarHBondContact CB-O 3.36Å; R607-E611 PolarHBondContact N-O 2.77Å; R607-E613 VanDerWaalsContact CD-OE2 3.29Å; R607-E613 WeakPolarHBondContact CD-OE2 3.25Å; R607-E613 IonicContact CZ-OE2 3.9Å; R607-E613 IonicContact NE-OE2 3.53Å; R607-E613 IonicContact NH1-OE1 3.77Å; R607-E613 IonicContact NH1-OE2 3.79Å; R607-E613 PolarHBondContact NH1-OE2 3.22Å; R607-K675 PolarHBondContact NH2-O 3.28Å; R607-E680 WeakPolarHBondContact CA-OE1 3.47Å; R607-E680 WeakPolarHBondContact CB-OE1 3.44Å; R607-E680 IonicContact CZ-OE1 2.62Å; R607-E680 IonicContact CZ-OE2 2.88Å; R607-E680 IonicContact NE-OE1 3.7Å; R607-E680 PolarHBondContact NE-OE1 2.84Å; R607-E680 IonicContact NE-OE2 2.68Å; R607-E680 IonicContact NH2-OE1 3.9Å; R607-E680 PolarHBondContact NH2-OE1 3.01Å; R607-E680 IonicContact NH2-OE2 2.65Å; R607-E680 PolarHBondContact NH2-OE2 3.44Å | ||
| 608 | D | 87.7 | Confident | 86.7 | Confident | 81 Ų | 81 | 27 Ų | 27 | 43% | 0.433 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20 | -178.9 | -66.7 | -11.7 | 0 | 0 | 0 | 112.2 | G610 S677 H679 E680 K683 | D608-G610 PolarHBondContact O-N 3.22Å; D608-S677 VanDerWaalsContact OD2-CB 3.31Å; D608-S677 WeakPolarHBondContact OD2-CB 3.49Å; D608-S677 PolarHBondContact OD2-OG 3.3Å; D608-H679 IonicContact OD1-CD2 2.7Å; D608-H679 PolarHBondContact OD1-CD2 3.47Å; D608-H679 IonicContact OD2-CD2 3.87Å; D608-E680 HydrophobicContact CB-CG 4.43Å; D608-E680 PolarHBondContact N-OE1 2.88Å; D608-K683 IonicContact OD1-NZ 2.78Å; D608-K683 PolarHBondContact OD1-NZ 2.83Å |
| 609 | N | 85.1 | Confident | 86.8 | Confident | 88 Ų | 88 | 26.8 Ų | 26.8 | 47% | 0.471 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2 | 168.7 | 77.6 | -11.7 | 0 | 0 | 0 | 113.9 | R607 E611 | R607-N609 WeakPolarHBondContact CB-OD1 3.37Å; R607-N609 PolarHBondContact O-N 2.89Å; N609-E611 PolarHBondContact ND2-OE2 3.01Å; N609-E611 VanDerWaalsContact OD1-CB 3.25Å; N609-E611 WeakPolarHBondContact OD1-CB 3.28Å; N609-E611 PolarHBondContact OD1-N 2.59Å |
| 610 | G | 75.4 | Confident | 86.9 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 91.8 | -9.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R607 D608 | R607-G610 PolarHBondContact O-N 3.1Å; D608-G610 PolarHBondContact O-N 3.22Å |
| 611 | E | 77.4 | Confident | 87 | Confident | 65 Ų | 65 | 26 Ų | 26 | 30% | 0.304 | 12% | 0.124 | S | C | . | . | trans | -80.6 | -179.9 | -178 | -66.2 | 169.3 | 171.5 | 0 | 0 | 112.5 | R60 Q64 R606 R607 N609 | R60-E611 IonicContact CZ-OE1 2.72Å; R60-E611 IonicContact NE-OE1 3.92Å; R60-E611 IonicContact NH2-OE1 2.75Å; R60-E611 PolarHBondContact NH2-OE1 3.1Å; Q64-E611 HydrophobicContact CG-CG 3.94Å; Q64-E611 PolarHBondContact NE2-OE1 2.7Å; R606-E611 WeakPolarHBondContact CA-O 3.4Å; R607-E611 HydrophobicContact CB-CB 4.44Å; R607-E611 WeakPolarHBondContact CB-O 3.36Å; R607-E611 PolarHBondContact N-O 2.77Å; N609-E611 PolarHBondContact ND2-OE2 3.01Å; N609-E611 VanDerWaalsContact OD1-CB 3.25Å; N609-E611 WeakPolarHBondContact OD1-CB 3.28Å; N609-E611 PolarHBondContact OD1-N 2.59Å | ||
| 612 | F | 76.1 | Confident | 87.2 | Confident | 28 Ų | 28 | 25.9 Ų | 25.9 | 12% | 0.123 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.2 | -164.6 | -64.3 | -72.5 | 0 | 0 | 0 | 111.8 | Q64 L65 N526 I605 R606 | Q64-F612 HydrophobicContact CB-CD2 4.28Å; Q64-F612 HydrophobicContact CB-CE2 4.42Å; Q64-F612 WeakPolarHBondContact O-CD2 3.49Å; L65-F612 HydrophobicContact CB-CE2 3.98Å; L65-F612 HydrophobicContact CD1-CE2 4.13Å; L65-F612 HydrophobicContact CD1-CZ 3.94Å; N526-F612 HydrophobicContact CB-CB 3.77Å; N526-F612 HydrophobicContact CB-CD1 4.35Å; N526-F612 HydrophobicContact CB-CG 4.04Å; N526-F612 VanDerWaalsContact N-CD1 3.28Å; N526-F612 CarbonylContact O-C 3.58Å; N526-F612 VanDerWaalsContact O-C 3.3Å; N526-F612 WeakPolarHBondContact O-CB 3.43Å; I605-F612 WeakPolarHBondContact O-CA 3.34Å; I605-F612 WeakPolarHBondContact O-CD1 3.31Å; R606-F612 HydrophobicContact CB-CD1 3.85Å; R606-F612 HydrophobicContact CB-CE1 3.63Å; R606-F612 HydrophobicContact CG-CD1 3.97Å; R606-F612 HydrophobicContact CG-CE1 3.55Å; R606-F612 HydrophobicContact CG-CZ 4.15Å |
| 613 | E | 81.6 | Confident | 87.4 | Confident | 46 Ų | 46 | 25.5 Ų | 25.5 | 22% | 0.215 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 138.6 | -161.4 | -163.3 | 165 | 178.3 | 0 | 0 | 118.2 | N526 S527 I605 R607 I615 Y676 | N526-E613 PolarHBondContact O-N 3.34Å; S527-E613 VanDerWaalsContact CB-O 3.3Å; S527-E613 WeakPolarHBondContact CB-O 3.27Å; I605-E613 HydrophobicContact CD1-CB 4.4Å; I605-E613 HydrophobicContact CG1-CB 4.06Å; I605-E613 PolarHBondContact O-N 2.98Å; R607-E613 VanDerWaalsContact CD-OE2 3.29Å; R607-E613 WeakPolarHBondContact CD-OE2 3.25Å; R607-E613 IonicContact CZ-OE2 3.9Å; R607-E613 IonicContact NE-OE2 3.53Å; R607-E613 IonicContact NH1-OE1 3.77Å; R607-E613 IonicContact NH1-OE2 3.79Å; R607-E613 PolarHBondContact NH1-OE2 3.22Å; E613-I615 PolarHBondContact O-N 3.41Å; E613-I615 VanDerWaalsContact O-N 3.07Å; E613-Y676 PolarHBondContact OE1-OH 3Å |
| 614 | I | 83.5 | Confident | 87.7 | Confident | 14 Ų | 14 | 28 Ų | 28 | 7% | 0.072 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47 | 76.4 | 157.5 | 68.6 | -163 | 0 | 0 | 0 | 116 | C75 S527 S528 F603 E616 | C75-I614 HydrophobicContact CB-CD1 3.55Å; C75-I614 WeakPolarHBondContact SG-CD1 3.4Å; S527-I614 VanDerWaalsContact CB-N 3.35Å; S528-I614 VanDerWaalsContact N-N 3.2Å; S528-I614 WeakPolarHBondContact O-CA 3.29Å; S528-I614 PolarHBondContact O-N 3.09Å; F603-I614 WeakPolarHBondContact O-CG2 3.32Å; I614-E616 PolarHBondContact O-N 2.94Å; I614-E616 VanDerWaalsContact O-N 3.14Å |
| 615 | I | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 90 | 155.7 | -41.3 | -57.5 | 0 | 0 | 0 | 109.9 | F603 I605 E613 V669 I671 I684 | F603-I615 HydrophobicContact CD2-CB 4.1Å; F603-I615 HydrophobicContact CD2-CG2 4.48Å; F603-I615 HydrophobicContact CE1-CB 4.36Å; F603-I615 HydrophobicContact CE1-CG2 3.92Å; F603-I615 HydrophobicContact CE2-CB 3.74Å; F603-I615 HydrophobicContact CE2-CG1 4.16Å; F603-I615 HydrophobicContact CE2-CG2 3.7Å; F603-I615 HydrophobicContact CZ-CB 3.9Å; F603-I615 HydrophobicContact CZ-CG2 3.38Å; F603-I615 PolarHBondContact N-O 3.28Å; F603-I615 WeakPolarHBondContact O-CB 3.25Å; F603-I615 PolarHBondContact O-N 3.3Å; I605-I615 HydrophobicContact CB-CG1 4.49Å; I605-I615 HydrophobicContact CD1-CD1 3.79Å; I605-I615 HydrophobicContact CD1-CG1 4.07Å; I605-I615 HydrophobicContact CG1-CD1 4.14Å; I605-I615 HydrophobicContact CG1-CG1 3.95Å; I605-I615 HydrophobicContact CG2-CG1 3.82Å; E613-I615 PolarHBondContact O-N 3.41Å; E613-I615 VanDerWaalsContact O-N 3.07Å; I615-V669 HydrophobicContact CG2-CG1 3.34Å; I615-I671 HydrophobicContact CD1-CG2 3.74Å; I615-I684 HydrophobicContact CD1-CD1 3.95Å; I615-I684 HydrophobicContact CD1-CG1 4.06Å; I615-I684 HydrophobicContact CG1-CG1 4.14Å; I615-I684 HydrophobicContact CG2-CG2 4.05Å |
| 616 | E | 90.8 | Very high | 88.6 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 136.5 | 161.8 | -70.8 | 175.6 | -165.4 | 0 | 0 | 109.5 | I614 W618 K670 | I614-E616 PolarHBondContact O-N 2.94Å; I614-E616 VanDerWaalsContact O-N 3.14Å; E616-W618 HydrophobicContact CB-CH2 4.11Å; E616-W618 HydrophobicContact CB-CZ3 4.28Å; E616-K670 HydrophobicContact CB-CB 4.01Å; E616-K670 HydrophobicContact CB-CD 3.9Å; E616-K670 WeakPolarHBondContact O-CB 3.29Å; E616-K670 PolarHBondContact O-N 3Å; E616-K670 WeakPolarHBondContact OE2-CD 3.18Å; E616-K670 WeakPolarHBondContact OE2-CE 3.17Å; E616-K670 IonicContact OE2-NZ 2.68Å; E616-K670 PolarHBondContact OE2-NZ 2.8Å |
| 617 | A | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 151 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H600 V601 F603 A668 V669 L688 | H600-A617 WeakPolarHBondContact CA-O 3.49Å; V601-A617 HydrophobicContact CG2-CB 3.94Å; V601-A617 PolarHBondContact N-O 2.81Å; V601-A617 PolarHBondContact O-N 3.25Å; F603-A617 HydrophobicContact CE1-CB 4.25Å; A617-A668 CarbonylContact C-O 3.56Å; A617-A668 VanDerWaalsContact CA-O 3.27Å; A617-A668 WeakPolarHBondContact CA-O 3.25Å; A617-A668 WeakPolarHBondContact CB-O 3.25Å; A617-V669 HydrophobicContact CB-CB 4.36Å; A617-V669 HydrophobicContact CB-CG1 4.35Å; A617-V669 HydrophobicContact CB-CG2 3.9Å; A617-L688 HydrophobicContact CB-CD1 3.57Å |
| 618 | W | 95.9 | Very high | 89.7 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 148.6 | 178.5 | -66.7 | -94.9 | 0 | 0 | 0 | 111.7 | L599 H600 E616 V639 Q641 V644 G667 A668 K670 W692 | L599-W618 CarbonylContact O-C 3.59Å; L599-W618 VanDerWaalsContact O-CA 3.3Å; L599-W618 WeakPolarHBondContact O-CA 3.4Å; H600-W618 AromaticContact CD2-CE2 3.55Å; H600-W618 AromaticContact CD2-CZ2 3.74Å; H600-W618 AromaticContact CD2-NE1 3.56Å; H600-W618 AromaticContact CG-NE1 3.93Å; E616-W618 HydrophobicContact CB-CH2 4.11Å; E616-W618 HydrophobicContact CB-CZ3 4.28Å; W618-V639 HydrophobicContact CE3-CG2 4.37Å; W618-V639 HydrophobicContact CZ3-CG2 4.14Å; W618-Q641 VanDerWaalsContact CD1-OE1 3.26Å; W618-V644 HydrophobicContact CB-CB 4.33Å; W618-V644 HydrophobicContact CB-CG1 4.04Å; W618-V644 HydrophobicContact CB-CG2 4.2Å; W618-G667 CarbonylContact O-C 3.47Å; W618-G667 WeakPolarHBondContact O-CA 3.4Å; W618-A668 PolarHBondContact N-O 2.82Å; W618-A668 PolarHBondContact O-N 2.91Å; W618-K670 HydrophobicContact CH2-CD 3.83Å; W618-K670 HydrophobicContact CZ3-CB 4.17Å; W618-K670 HydrophobicContact CZ3-CD 3.91Å; W618-K670 HydrophobicContact CZ3-CG 4.25Å; W618-W692 WeakPolarHBondContact O-CZ2 3.28Å |
| 619 | R | 96.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 119.6 | 161.1 | -167.6 | 83.3 | -179.8 | 164.1 | -0.9 | 109.3 | L599 G631 G632 S665 K666 G667 W692 F697 D703 | L599-R619 PolarHBondContact N-O 3.25Å; L599-R619 PolarHBondContact O-N 3.16Å; R619-G631 PolarHBondContact NH1-O 2.84Å; R619-G631 PolarHBondContact NH2-O 2.77Å; R619-G632 PolarHBondContact NH1-O 3.06Å; R619-S665 PolarHBondContact NH2-OG 2.98Å; R619-S665 VanDerWaalsContact NH2-OG 3.08Å; R619-K666 CarbonylContact C-O 3.43Å; R619-K666 WeakPolarHBondContact CA-O 3.43Å; R619-K666 WeakPolarHBondContact CD-O 3.46Å; R619-G667 VanDerWaalsContact NH1-N 3.13Å; R619-W692 HydrophobicContact CB-CD2 4.32Å; R619-W692 HydrophobicContact CB-CZ2 3.96Å; R619-F697 HydrophobicContact CB-CB 4.36Å; R619-F697 HydrophobicContact CB-CD1 3.84Å; R619-F697 HydrophobicContact CB-CG 4.38Å; R619-F697 HydrophobicContact CG-CB 4.1Å; R619-F697 HydrophobicContact CG-CD1 3.61Å; R619-F697 HydrophobicContact CG-CG 4.28Å; R619-D703 IonicContact CZ-OD1 2.69Å; R619-D703 IonicContact CZ-OD2 3.67Å; R619-D703 IonicContact NE-OD1 2.72Å; R619-D703 IonicContact NE-OD2 3.21Å; R619-D703 PolarHBondContact NE-OD2 3.38Å; R619-D703 VanDerWaalsContact NE-OD2 3.1Å; R619-D703 IonicContact NH2-OD1 3.57Å; R619-D703 PolarHBondContact NH2-OD1 3.25Å; R619-D703 IonicContact NH2-OD2 2.96Å |
| 620 | C | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.6 | 171.2 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | P595 V598 V644 A648 S665 K666 | P595-C620 VanDerWaalsContact CB-SG 3.59Å; V598-C620 HydrophobicContact CG1-CB 4.47Å; V598-C620 HydrophobicContact CG2-CB 4.11Å; C620-V644 HydrophobicContact CB-CG1 3.83Å; C620-A648 HydrophobicContact CB-CB 3.76Å; C620-A648 VanDerWaalsContact SG-CB 3.52Å; C620-S665 CarbonylContact O-C 3.57Å; C620-S665 WeakPolarHBondContact O-CA 3.43Å; C620-S665 WeakPolarHBondContact O-CB 3.48Å; C620-K666 PolarHBondContact N-O 3.13Å; C620-K666 PolarHBondContact O-N 3.29Å |
| 621 | Q | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 101.4 | 164.2 | -73.3 | 170 | -7.5 | 0 | 0 | 106.4 | N596 K597 C629 G696 F697 D703 | N596-Q621 PolarHBondContact N-O 3.5Å; K597-Q621 HydrophobicContact CB-CB 4.41Å; K597-Q621 PolarHBondContact N-O 2.92Å; K597-Q621 PolarHBondContact O-N 3.44Å; Q621-C629 HydrophobicContact CG-CB 4.35Å; Q621-G696 PolarHBondContact NE2-O 3.25Å; Q621-F697 HydrophobicContact CB-CE1 4.2Å; Q621-F697 VanDerWaalsContact CD-CE1 3.43Å; Q621-F697 HydrophobicContact CG-CD1 3.76Å; Q621-F697 HydrophobicContact CG-CE1 3.68Å; Q621-F697 VanDerWaalsContact NE2-CD1 3.25Å; Q621-D703 WeakPolarHBondContact CG-OD2 3.46Å; Q621-D703 VanDerWaalsContact NE2-CB 3.31Å; Q621-D703 PolarHBondContact NE2-OD2 3.27Å |
| 622 | H | 95.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -73.9 | -42.7 | -173 | 175.5 | -102.6 | 0 | 0 | 0 | 111.9 | I592 P595 N596 A648 S649 T652 G664 | I592-H622 PolarHBondContact O-CE1 2.89Å; I592-H622 PolarHBondContact O-NE2 3.11Å; P595-H622 WeakPolarHBondContact CA-O 3.29Å; N596-H622 PolarHBondContact N-O 3.36Å; N596-H622 PolarHBondContact OD1-O 2.69Å; H622-A648 HydrophobicContact CB-CB 3.92Å; H622-S649 WeakPolarHBondContact CD2-CB 3.3Å; H622-S649 VanDerWaalsContact CG-CA 3.48Å; H622-S649 VanDerWaalsContact NE2-CB 3.3Å; H622-S649 WeakPolarHBondContact NE2-CB 3.33Å; H622-T652 WeakPolarHBondContact ND1-CB 3.26Å; H622-T652 PolarHBondContact ND1-OG1 3.09Å; H622-G664 PolarHBondContact N-O 3.31Å | ||
| 623 | S | 94 | Very high | 93.2 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | trans | -150.5 | 131.2 | 177.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | H625 G663 Y1035 | S623-H625 PolarHBondContact OG-N 3.36Å; S623-H625 PolarHBondContact OG-ND1 3.15Å; S623-G663 WeakPolarHBondContact O-CA 3.42Å; S623-Y1035 PolarHBondContact OG-OH 3.45Å | ||
| 624 | E | 92 | Very high | 93.8 | Very high | 58 Ų | 58 | 17.1 Ų | 17.1 | 27% | 0.271 | 9% | 0.086 | S | C | . | . | trans | -96.8 | 17.9 | 175.1 | -62.9 | 156 | 124.9 | 0 | 0 | 112.3 | N596 K597 K626 | N596-E624 PolarHBondContact ND2-N 3.35Å; N596-E624 PolarHBondContact ND2-OE2 3.27Å; K597-E624 IonicContact NZ-OE1 3.39Å; K597-E624 PolarHBondContact NZ-OE1 3.26Å; K597-E624 IonicContact NZ-OE2 2.88Å; K597-E624 PolarHBondContact NZ-OE2 3.04Å; E624-K626 CarbonylContact C-O 3.3Å; E624-K626 PolarHBondContact O-N 2.7Å; E624-K626 VanDerWaalsContact O-N 3.15Å | ||
| 625 | H | 92 | Very high | 94.3 | Very high | 34 Ų | 34 | 16.7 Ų | 16.7 | 16% | 0.157 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -63 | -18.1 | 179.5 | 82 | -73.7 | 0 | 0 | 0 | 113.9 | S623 Y1035 | S623-H625 PolarHBondContact OG-N 3.36Å; S623-H625 PolarHBondContact OG-ND1 3.15Å; H625-Y1035 HydrophobicContact CB-CE1 4.32Å; H625-Y1035 HydrophobicContact CB-CE2 3.9Å |
| 626 | K | 92.6 | Very high | 94.2 | Very high | 85 Ų | 85 | 17.5 Ų | 17.5 | 37% | 0.37 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -133.2 | 149.1 | 160.4 | -58.7 | -65.5 | 172.7 | -168.5 | 0 | 107.7 | E624 P661 G663 S1034 | E624-K626 CarbonylContact C-O 3.3Å; E624-K626 PolarHBondContact O-N 2.7Å; E624-K626 VanDerWaalsContact O-N 3.15Å; K626-P661 WeakPolarHBondContact CB-O 3.43Å; K626-G663 PolarHBondContact O-N 3.16Å; K626-G663 VanDerWaalsContact O-N 3.14Å; K626-S1034 PolarHBondContact NZ-OG 3.41Å |
| 627 | T | 92.2 | Very high | 94.1 | Very high | 92 Ų | 92 | 18.4 Ų | 18.4 | 56% | 0.564 | 10% | 0.099 | S | C | * | . | S | Bend | trans | -127.1 | 137.8 | 178.6 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 628 | P | 97 | Very high | 93.6 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | S | Bend | cis | -73 | 168.7 | 3.4 | 31.9 | -38.7 | 0 | 0 | 0 | 113.9 | F662 G663 P700 V702 V704 W927 | P628-F662 HydrophobicContact CG-CD1 3.68Å; P628-F662 HydrophobicContact CG-CE1 3.55Å; P628-F662 WeakPolarHBondContact O-CA 3.37Å; P628-G663 PolarHBondContact O-N 3.26Å; P628-P700 WeakPolarHBondContact CG-O 3.32Å; P628-V702 WeakPolarHBondContact CA-O 3.29Å; P628-V704 HydrophobicContact CB-CG2 3.78Å; P628-V704 HydrophobicContact CG-CG2 3.83Å; P628-W927 HydrophobicContact CG-CH2 4.32Å; P628-W927 HydrophobicContact CG-CZ2 3.62Å |
| 629 | C | 97.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 154.6 | 161.4 | -55 | 0 | 0 | 0 | 0 | 110.4 | Q621 G663 V702 D703 V704 | Q621-C629 HydrophobicContact CG-CB 4.35Å; C629-G663 CarbonylContact C-O 3.58Å; C629-G663 WeakPolarHBondContact CA-O 3.37Å; C629-V702 PolarHBondContact N-O 2.87Å; C629-D703 HydrophobicContact CB-CB 4.18Å; C629-D703 WeakPolarHBondContact O-CA 3.43Å; C629-V704 PolarHBondContact O-N 2.97Å |
| 630 | K | 96.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 127.8 | -178 | -156.1 | 77.6 | -171.8 | 70.4 | 0 | 112 | F662 G663 S665 V704 P705 T739 V920 | K630-F662 HydrophobicContact CB-CB 3.72Å; K630-F662 HydrophobicContact CB-CD2 3.61Å; K630-F662 HydrophobicContact CB-CE2 4.39Å; K630-F662 HydrophobicContact CB-CG 3.84Å; K630-F662 HydrophobicContact CD-CD2 3.65Å; K630-F662 HydrophobicContact CD-CE2 3.54Å; K630-F662 HydrophobicContact CD-CG 4.27Å; K630-F662 HydrophobicContact CD-CZ 4.07Å; K630-F662 HydrophobicContact CG-CD2 3.6Å; K630-F662 HydrophobicContact CG-CE2 3.93Å; K630-F662 HydrophobicContact CG-CG 4.3Å; K630-G663 PolarHBondContact N-O 3.49Å; K630-S665 PolarHBondContact N-OG 3.31Å; K630-S665 PolarHBondContact O-N 3.49Å; K630-S665 PolarHBondContact O-OG 3.28Å; K630-V704 HydrophobicContact CD-CB 3.93Å; K630-V704 HydrophobicContact CD-CG1 4.03Å; K630-V704 WeakPolarHBondContact CD-O 3.24Å; K630-V704 PolarHBondContact NZ-O 2.89Å; K630-P705 PolarHBondContact NZ-O 3.18Å; K630-T739 WeakPolarHBondContact CE-OG1 3.1Å; K630-T739 PolarHBondContact NZ-OG1 3.1Å; K630-V920 HydrophobicContact CG-CG2 4.1Å |
| 631 | G | 94 | Very high | 91.9 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 132.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R619 S665 P705 A706 | R619-G631 PolarHBondContact NH1-O 2.84Å; R619-G631 PolarHBondContact NH2-O 2.77Å; G631-S665 WeakPolarHBondContact CA-O 3.45Å; G631-S665 PolarHBondContact N-OG 3.09Å; G631-P705 CarbonylContact O-C 3.59Å; G631-P705 VanDerWaalsContact O-CA 3.22Å; G631-P705 WeakPolarHBondContact O-CA 3.28Å; G631-A706 PolarHBondContact O-N 3.34Å |
| 632 | G | 93 | Very high | 91.3 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 167.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R619 G667 A706 | R619-G632 PolarHBondContact NH1-O 3.06Å; G632-G667 PolarHBondContact O-N 2.98Å; G632-A706 CarbonylContact C-O 3.28Å; G632-A706 VanDerWaalsContact CA-O 3.22Å; G632-A706 WeakPolarHBondContact CA-O 3.36Å |
| 633 | I | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 113 | 174.4 | -55.8 | 175 | 0 | 0 | 0 | 109.7 | Y635 G667 L688 W692 P705 A706 D708 T711 M716 I719 | I633-Y635 HydrophobicContact CG2-CD1 3.95Å; I633-Y635 HydrophobicContact CG2-CE1 3.57Å; I633-G667 WeakPolarHBondContact CA-O 3.23Å; I633-L688 HydrophobicContact CG2-CD2 4.46Å; I633-W692 HydrophobicContact CD1-CH2 4.17Å; I633-W692 HydrophobicContact CD1-CZ3 3.67Å; I633-W692 HydrophobicContact CG1-CH2 4.08Å; I633-W692 HydrophobicContact CG1-CZ3 3.94Å; I633-W692 HydrophobicContact CG2-CH2 4.28Å; I633-P705 HydrophobicContact CD1-CB 3.62Å; I633-P705 HydrophobicContact CD1-CG 4.28Å; I633-P705 HydrophobicContact CG1-CB 3.81Å; I633-A706 PolarHBondContact N-O 2.82Å; I633-D708 WeakPolarHBondContact O-CB 3.07Å; I633-D708 PolarHBondContact O-N 3.4Å; I633-T711 HydrophobicContact CB-CG2 4.39Å; I633-T711 HydrophobicContact CG2-CG2 4.19Å; I633-T711 WeakPolarHBondContact O-CG2 3.46Å; I633-T711 PolarHBondContact O-OG1 2.71Å; I633-M716 HydrophobicContact CD1-CE 4.22Å; I633-I719 HydrophobicContact CD1-CD1 3.3Å |
| 634 | R | 93.1 | Very high | 90.5 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.1 | 179.7 | 179.1 | 168.3 | -72.1 | -159.9 | -6.3 | 111.4 | A636 V639 E643 G667 A668 V669 D708 M709 E870 | R634-A636 HydrophobicContact CG-CB 4.2Å; R634-V639 HydrophobicContact CG-CG1 4.01Å; R634-E643 WeakPolarHBondContact CD-OE1 3.4Å; R634-E643 IonicContact CZ-OE1 3.54Å; R634-E643 IonicContact NE-OE1 3.37Å; R634-E643 IonicContact NH1-OE1 2.76Å; R634-E643 PolarHBondContact NH1-OE1 2.64Å; R634-G667 PolarHBondContact N-O 3.32Å; R634-A668 HydrophobicContact CB-CB 4.06Å; R634-A668 CarbonylContact O-C 3.57Å; R634-A668 WeakPolarHBondContact O-CA 3.41Å; R634-A668 WeakPolarHBondContact O-CB 3.34Å; R634-V669 PolarHBondContact O-N 2.79Å; R634-D708 HydrophobicContact CB-CB 4.33Å; R634-D708 IonicContact CZ-OD1 3.58Å; R634-D708 IonicContact NE-OD1 3.48Å; R634-D708 PolarHBondContact NE-OD1 2.96Å; R634-D708 IonicContact NH2-OD1 2.78Å; R634-D708 PolarHBondContact NH2-OD1 3.19Å; R634-M709 CarbonylContact C-O 3.51Å; R634-M709 WeakPolarHBondContact CA-O 3.44Å; R634-M709 HydrophobicContact CG-CB 4.29Å; R634-E870 IonicContact CZ-OE2 3.34Å; R634-E870 IonicContact NH1-OE2 2.71Å; R634-E870 PolarHBondContact NH1-OE2 2.87Å; R634-E870 IonicContact NH2-OE2 3.06Å |
| 635 | Y | 93.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 100.5 | 169.7 | -74.3 | 8.2 | 0 | 0 | 0 | 107.9 | I633 V669 I671 L681 T685 M709 T711 E715 | I633-Y635 HydrophobicContact CG2-CD1 3.95Å; I633-Y635 HydrophobicContact CG2-CE1 3.57Å; Y635-V669 HydrophobicContact CD1-CB 3.64Å; Y635-V669 HydrophobicContact CD1-CG2 3.81Å; Y635-V669 HydrophobicContact CE1-CB 3.66Å; Y635-V669 HydrophobicContact CE1-CG1 4.48Å; Y635-V669 HydrophobicContact CE1-CG2 3.36Å; Y635-I671 CarbonylContact C-O 3.56Å; Y635-I671 HydrophobicContact CD2-CD1 3.76Å; Y635-I671 HydrophobicContact CD2-CG1 4.3Å; Y635-I671 HydrophobicContact CE2-CD1 4.01Å; Y635-I671 HydrophobicContact CG-CD1 4.03Å; Y635-I671 HydrophobicContact CG-CG1 4.12Å; Y635-L681 HydrophobicContact CD2-CD2 4.43Å; Y635-L681 HydrophobicContact CE2-CD2 4.4Å; Y635-T685 PolarHBondContact OH-OG1 2.85Å; Y635-M709 PolarHBondContact N-O 3.23Å; Y635-T711 HydrophobicContact CD1-CG2 3.56Å; Y635-T711 HydrophobicContact CD2-CG2 3.72Å; Y635-T711 HydrophobicContact CE1-CG2 3.74Å; Y635-T711 HydrophobicContact CE2-CG2 3.92Å; Y635-T711 HydrophobicContact CG-CG2 3.56Å; Y635-E715 HydrophobicContact CE2-CG 4.45Å |
| 636 | A | 88.6 | Confident | 90.3 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | trans | -148.4 | 152 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R634 N638 V639 V669 K670 I671 | R634-A636 HydrophobicContact CG-CB 4.2Å; A636-N638 PolarHBondContact O-N 3.32Å; A636-V639 HydrophobicContact CB-CG1 3.75Å; A636-V639 WeakPolarHBondContact O-CG1 3.34Å; A636-V669 PolarHBondContact N-O 3.43Å; A636-K670 CarbonylContact O-C 3.59Å; A636-I671 CarbonylContact C-O 3.44Å; A636-I671 WeakPolarHBondContact CA-O 3.4Å; A636-I671 PolarHBondContact N-O 3.24Å; A636-I671 PolarHBondContact O-N 3.05Å | ||
| 637 | P | 87.9 | Confident | 90.1 | Very high | 49 Ų | 49 | 26 Ų | 26 | 32% | 0.318 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -34.7 | -172.8 | 24.6 | -33.7 | 0 | 0 | 0 | 113.3 | F530 K670 D672 | F530-P637 WeakPolarHBondContact CE2-O 3.37Å; F530-P637 WeakPolarHBondContact CZ-O 3.48Å; P637-K670 VanDerWaalsContact O-CG 3.28Å; P637-K670 WeakPolarHBondContact O-CG 3.27Å; P637-D672 HydrophobicContact CB-CB 4.23Å; P637-D672 HydrophobicContact CG-CB 4.23Å |
| 638 | N | 84.3 | Confident | 90.2 | Very high | 136 Ų | 136 | 21.6 Ų | 21.6 | 73% | 0.727 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 20.5 | -169 | -62.1 | 3.8 | 0 | 0 | 0 | 113.6 | A636 | A636-N638 PolarHBondContact O-N 3.32Š|
| 639 | V | 84.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | trans | -71.3 | 145.9 | -179.1 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | W618 R634 A636 E643 A668 K670 | W618-V639 HydrophobicContact CE3-CG2 4.37Å; W618-V639 HydrophobicContact CZ3-CG2 4.14Å; R634-V639 HydrophobicContact CG-CG1 4.01Å; A636-V639 HydrophobicContact CB-CG1 3.75Å; A636-V639 WeakPolarHBondContact O-CG1 3.34Å; V639-E643 WeakPolarHBondContact CB-OE2 3.28Å; V639-E643 VanDerWaalsContact CG1-OE2 3.32Å; V639-E643 WeakPolarHBondContact CG1-OE2 3.49Å; V639-A668 HydrophobicContact CB-CB 3.76Å; V639-A668 HydrophobicContact CG1-CB 3.96Å; V639-A668 HydrophobicContact CG2-CB 3.74Å; V639-K670 HydrophobicContact CG2-CB 4.06Å; V639-K670 HydrophobicContact CG2-CG 4.06Å; V639-K670 VanDerWaalsContact O-CE 3.31Å; V639-K670 WeakPolarHBondContact O-CE 3.42Å | ||
| 640 | D | 83.7 | Confident | 89.9 | Confident | 76 Ų | 76 | 21.6 Ų | 21.6 | 41% | 0.406 | 12% | 0.119 | S | C | . | . | trans | -143.6 | -175.4 | -179.9 | 74.3 | 23.4 | 0 | 0 | 0 | 112.9 | D642 E643 V644 | D640-D642 WeakPolarHBondContact OD1-CA 3.42Å; D640-D642 WeakPolarHBondContact OD1-CB 3.29Å; D640-D642 PolarHBondContact OD1-N 3.04Å; D640-E643 PolarHBondContact OD1-N 3.34Å; D640-V644 WeakPolarHBondContact O-CB 3.44Å; D640-V644 VanDerWaalsContact O-CG2 3.27Å; D640-V644 WeakPolarHBondContact O-CG2 3.46Å; D640-V644 PolarHBondContact O-N 3.39Å | ||
| 641 | Q | 86.1 | Confident | 89.8 | Confident | 52 Ų | 52 | 22.5 Ų | 22.5 | 24% | 0.243 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.7 | -25.9 | -178.2 | -168.4 | 154.8 | -75.2 | 0 | 0 | 113.7 | E122 V598 W618 T645 | E122-Q641 PolarHBondContact OE2-NE2 3.32Å; V598-Q641 HydrophobicContact CG1-CG 4.1Å; W618-Q641 VanDerWaalsContact CD1-OE1 3.26Å; Q641-T645 WeakPolarHBondContact O-CB 3.15Å; Q641-T645 PolarHBondContact O-N 3.31Å; Q641-T645 VanDerWaalsContact O-N 3.11Å; Q641-T645 PolarHBondContact O-OG1 3.15Å |
| 642 | D | 82.6 | Confident | 89.9 | Confident | 49 Ų | 49 | 22.5 Ų | 22.5 | 26% | 0.262 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -74 | -46.9 | 177.1 | -160.8 | 76.1 | 0 | 0 | 0 | 109.8 | S548 Y549 F550 D640 V644 T645 A646 | S548-D642 WeakPolarHBondContact CB-OD2 3.37Å; S548-D642 PolarHBondContact OG-OD1 2.78Å; S548-D642 PolarHBondContact OG-OD2 3.47Å; Y549-D642 PolarHBondContact N-OD2 2.68Å; F550-D642 WeakPolarHBondContact CB-OD1 3.23Å; F550-D642 PolarHBondContact N-OD2 2.75Å; D640-D642 WeakPolarHBondContact OD1-CA 3.42Å; D640-D642 WeakPolarHBondContact OD1-CB 3.29Å; D640-D642 PolarHBondContact OD1-N 3.04Å; D642-V644 PolarHBondContact O-N 2.86Å; D642-T645 PolarHBondContact O-N 3.11Å; D642-A646 WeakPolarHBondContact O-CB 3.42Å; D642-A646 PolarHBondContact O-N 3.35Å |
| 643 | E | 83.4 | Confident | 90 | Very high | 30 Ų | 30 | 22.2 Ų | 22.2 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 176.4 | -170.3 | -146.4 | -151.2 | 0 | 0 | 111.9 | Y549 R634 V639 D640 A646 L647 | Y549-E643 HydrophobicContact CD1-CG 4.3Å; R634-E643 WeakPolarHBondContact CD-OE1 3.4Å; R634-E643 IonicContact CZ-OE1 3.54Å; R634-E643 IonicContact NE-OE1 3.37Å; R634-E643 IonicContact NH1-OE1 2.76Å; R634-E643 PolarHBondContact NH1-OE1 2.64Å; V639-E643 WeakPolarHBondContact CB-OE2 3.28Å; V639-E643 VanDerWaalsContact CG1-OE2 3.32Å; V639-E643 WeakPolarHBondContact CG1-OE2 3.49Å; D640-E643 PolarHBondContact OD1-N 3.34Å; E643-A646 WeakPolarHBondContact O-CB 3.04Å; E643-L647 HydrophobicContact CG-CD1 3.87Å; E643-L647 WeakPolarHBondContact O-CB 3.47Å; E643-L647 VanDerWaalsContact O-CG 3.32Å; E643-L647 WeakPolarHBondContact O-CG 3.19Å; E643-L647 PolarHBondContact O-N 2.83Å |
| 644 | V | 90.9 | Very high | 90 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.9 | -37.4 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | W618 C620 D640 D642 A648 K666 A668 | W618-V644 HydrophobicContact CB-CB 4.33Å; W618-V644 HydrophobicContact CB-CG1 4.04Å; W618-V644 HydrophobicContact CB-CG2 4.2Å; C620-V644 HydrophobicContact CB-CG1 3.83Å; D640-V644 WeakPolarHBondContact O-CB 3.44Å; D640-V644 VanDerWaalsContact O-CG2 3.27Å; D640-V644 WeakPolarHBondContact O-CG2 3.46Å; D640-V644 PolarHBondContact O-N 3.39Å; D642-V644 PolarHBondContact O-N 2.86Å; V644-A648 VanDerWaalsContact O-CB 3.29Å; V644-A648 WeakPolarHBondContact O-CB 3.21Å; V644-A648 PolarHBondContact O-N 3.46Å; V644-K666 HydrophobicContact CG1-CB 4.21Å; V644-K666 HydrophobicContact CG1-CG 4.45Å; V644-K666 WeakPolarHBondContact O-CB 3.42Å; V644-A668 HydrophobicContact CG2-CB 3.39Å |
| 645 | T | 91.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.055 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.2 | -44.3 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | F550 P595 Q641 D642 A648 S649 | F550-T645 HydrophobicContact CD1-CG2 4.24Å; F550-T645 HydrophobicContact CD2-CG2 3.72Å; F550-T645 HydrophobicContact CE1-CG2 4.16Å; F550-T645 HydrophobicContact CE2-CG2 3.63Å; F550-T645 HydrophobicContact CG-CG2 4.03Å; F550-T645 HydrophobicContact CZ-CG2 3.86Å; P595-T645 HydrophobicContact CB-CG2 4.03Å; P595-T645 HydrophobicContact CG-CG2 3.63Å; Q641-T645 WeakPolarHBondContact O-CB 3.15Å; Q641-T645 PolarHBondContact O-N 3.31Å; Q641-T645 VanDerWaalsContact O-N 3.11Å; Q641-T645 PolarHBondContact O-OG1 3.15Å; D642-T645 PolarHBondContact O-N 3.11Å; T645-A648 PolarHBondContact O-N 2.82Å; T645-S649 PolarHBondContact O-N 3.48Å |
| 646 | A | 87.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -51.8 | -59.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y549 F550 I553 D642 E643 A648 S649 L650 | Y549-A646 HydrophobicContact CD1-CB 3.99Å; Y549-A646 HydrophobicContact CD2-CB 3.85Å; Y549-A646 HydrophobicContact CG-CB 3.54Å; F550-A646 HydrophobicContact CB-CB 4.21Å; I553-A646 VanDerWaalsContact CD1-CA 3.49Å; I553-A646 HydrophobicContact CD1-CB 3.47Å; I553-A646 VanDerWaalsContact CD1-CB 3.47Å; I553-A646 VanDerWaalsContact CD1-O 3.27Å; I553-A646 WeakPolarHBondContact CD1-O 3.45Å; D642-A646 WeakPolarHBondContact O-CB 3.42Å; D642-A646 PolarHBondContact O-N 3.35Å; E643-A646 WeakPolarHBondContact O-CB 3.04Å; A646-A648 VanDerWaalsContact C-N 3.25Å; A646-A648 PolarHBondContact O-N 2.76Å; A646-S649 PolarHBondContact O-N 3.37Å; A646-S649 VanDerWaalsContact O-N 3.07Å; A646-S649 PolarHBondContact O-OG 2.85Å; A646-L650 PolarHBondContact O-N 3.1Å |
| 647 | L | 90.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -27.3 | -177.3 | -68.2 | 168 | 0 | 0 | 0 | 112.5 | Y549 E643 L650 M651 K666 N891 | Y549-L647 HydrophobicContact CE1-CD1 4.43Å; Y549-L647 HydrophobicContact CE1-CD2 3.76Å; Y549-L647 HydrophobicContact CE1-CG 3.95Å; Y549-L647 WeakPolarHBondContact OH-CD2 3.49Å; E643-L647 HydrophobicContact CG-CD1 3.87Å; E643-L647 WeakPolarHBondContact O-CB 3.47Å; E643-L647 VanDerWaalsContact O-CG 3.32Å; E643-L647 WeakPolarHBondContact O-CG 3.19Å; E643-L647 PolarHBondContact O-N 2.83Å; L647-L650 HydrophobicContact CD2-CD1 4.35Å; L647-M651 WeakPolarHBondContact O-CG 3.45Å; L647-M651 PolarHBondContact O-N 2.79Å; L647-K666 HydrophobicContact CB-CB 4.27Å; L647-K666 HydrophobicContact CB-CD 3.69Å; L647-K666 HydrophobicContact CB-CG 3.72Å; L647-K666 HydrophobicContact CD1-CD 4.47Å; L647-N891 HydrophobicContact CD2-CB 3.95Å |
| 648 | A | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.5 | -38.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | C620 H622 V644 T645 A646 M651 T652 K666 | C620-A648 HydrophobicContact CB-CB 3.76Å; C620-A648 VanDerWaalsContact SG-CB 3.52Å; H622-A648 HydrophobicContact CB-CB 3.92Å; V644-A648 VanDerWaalsContact O-CB 3.29Å; V644-A648 WeakPolarHBondContact O-CB 3.21Å; V644-A648 PolarHBondContact O-N 3.46Å; T645-A648 PolarHBondContact O-N 2.82Å; A646-A648 VanDerWaalsContact C-N 3.25Å; A646-A648 PolarHBondContact O-N 2.76Å; A648-M651 PolarHBondContact O-N 3.28Å; A648-T652 PolarHBondContact O-N 2.86Å; A648-K666 HydrophobicContact CB-CB 3.83Å |
| 649 | S | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.2 | -45 | 175.7 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | I553 H622 T645 A646 M651 T652 Y653 | I553-S649 WeakPolarHBondContact CG2-OG 3.42Å; H622-S649 WeakPolarHBondContact CD2-CB 3.3Å; H622-S649 VanDerWaalsContact CG-CA 3.48Å; H622-S649 VanDerWaalsContact NE2-CB 3.3Å; H622-S649 WeakPolarHBondContact NE2-CB 3.33Å; T645-S649 PolarHBondContact O-N 3.48Å; A646-S649 PolarHBondContact O-N 3.37Å; A646-S649 VanDerWaalsContact O-N 3.07Å; A646-S649 PolarHBondContact O-OG 2.85Å; S649-M651 VanDerWaalsContact C-N 3.25Å; S649-M651 PolarHBondContact O-N 3.5Å; S649-T652 WeakPolarHBondContact O-CB 3.41Å; S649-T652 PolarHBondContact O-N 3.48Å; S649-Y653 WeakPolarHBondContact O-CD2 3.39Å; S649-Y653 WeakPolarHBondContact O-CE2 3.37Å; S649-Y653 PolarHBondContact O-N 2.9Å |
| 650 | L | 92.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.6 | -40.2 | 171.2 | -79.7 | 171.4 | 0 | 0 | 0 | 112.2 | Y549 I553 A646 L647 T652 Y653 K654 N891 L913 Y1024 | Y549-L650 HydrophobicContact CE2-CD1 3.92Å; I553-L650 HydrophobicContact CD1-CD1 3.65Å; I553-L650 HydrophobicContact CD1-CD2 4.38Å; I553-L650 HydrophobicContact CD1-CG 3.59Å; I553-L650 HydrophobicContact CG1-CD1 4.04Å; I553-L650 HydrophobicContact CG1-CD2 4.05Å; I553-L650 HydrophobicContact CG1-CG 3.81Å; I553-L650 HydrophobicContact CG2-CD2 4.32Å; I553-L650 HydrophobicContact CG2-CG 4.33Å; A646-L650 PolarHBondContact O-N 3.1Å; L647-L650 HydrophobicContact CD2-CD1 4.35Å; L650-T652 VanDerWaalsContact C-N 3.35Å; L650-T652 PolarHBondContact O-N 3.27Å; L650-Y653 PolarHBondContact O-N 3.43Å; L650-K654 WeakPolarHBondContact O-CB 3.31Å; L650-K654 PolarHBondContact O-N 2.94Å; L650-N891 HydrophobicContact CD1-CB 4.25Å; L650-L913 HydrophobicContact CD2-CD2 3.63Å; L650-Y1024 WeakPolarHBondContact CD2-OH 3.37Å |
| 651 | M | 94.8 | Very high | 92.4 | Very high | 23 Ų | 23 | 15.2 Ų | 15.2 | 11% | 0.113 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.4 | -36.5 | 175.8 | -75.2 | -58.3 | -54.5 | 0 | 0 | 112.8 | L647 A648 S649 K654 C655 V920 | L647-M651 WeakPolarHBondContact O-CG 3.45Å; L647-M651 PolarHBondContact O-N 2.79Å; A648-M651 PolarHBondContact O-N 3.28Å; S649-M651 VanDerWaalsContact C-N 3.25Å; S649-M651 PolarHBondContact O-N 3.5Å; M651-K654 HydrophobicContact SD-CD 4.2Å; M651-C655 WeakPolarHBondContact O-CB 3.22Å; M651-C655 PolarHBondContact O-N 2.83Å; M651-C655 PolarHBondContact O-SG 2.87Å; M651-V920 HydrophobicContact CE-CB 4.07Å; M651-V920 HydrophobicContact CE-CG2 3.74Å |
| 652 | T | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.8 | -53 | 175.1 | -62.1 | 0 | 0 | 0 | 0 | 111 | H622 A648 S649 L650 K654 C655 A656 G664 I1031 | H622-T652 WeakPolarHBondContact ND1-CB 3.26Å; H622-T652 PolarHBondContact ND1-OG1 3.09Å; A648-T652 PolarHBondContact O-N 2.86Å; S649-T652 WeakPolarHBondContact O-CB 3.41Å; S649-T652 PolarHBondContact O-N 3.48Å; L650-T652 VanDerWaalsContact C-N 3.35Å; L650-T652 PolarHBondContact O-N 3.27Å; T652-K654 VanDerWaalsContact C-N 3.33Å; T652-K654 PolarHBondContact O-N 2.88Å; T652-C655 PolarHBondContact O-N 2.96Å; T652-A656 PolarHBondContact O-N 3.18Å; T652-A656 VanDerWaalsContact O-N 3.16Å; T652-G664 WeakPolarHBondContact OG1-CA 3.35Å; T652-G664 PolarHBondContact OG1-N 3.24Å; T652-G664 VanDerWaalsContact OG1-N 3.1Å; T652-I1031 HydrophobicContact CG2-CD1 3.86Å |
| 653 | Y | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | -176.6 | -53.4 | -57.7 | 0 | 0 | 0 | 111.3 | I553 C557 I592 S649 L650 A656 V657 Y1024 A1027 I1028 I1031 | I553-Y653 HydrophobicContact CG2-CD2 4.3Å; I553-Y653 HydrophobicContact CG2-CE2 3.9Å; C557-Y653 PolarHBondContact SG-OH 3.2Å; I592-Y653 HydrophobicContact CG2-CE1 3.82Å; I592-Y653 PolarHBondContact O-OH 2.87Å; S649-Y653 WeakPolarHBondContact O-CD2 3.39Å; S649-Y653 WeakPolarHBondContact O-CE2 3.37Å; S649-Y653 PolarHBondContact O-N 2.9Å; L650-Y653 PolarHBondContact O-N 3.43Å; Y653-A656 PolarHBondContact O-N 2.55Å; Y653-V657 WeakPolarHBondContact O-CG2 3.42Å; Y653-V657 PolarHBondContact O-N 2.72Å; Y653-Y1024 HydrophobicContact CD2-CD1 4.19Å; Y653-Y1024 AromaticContact CD2-CE1 3.61Å; Y653-Y1024 HydrophobicContact CD2-CE1 3.61Å; Y653-Y1024 AromaticContact CE2-CE1 4Å; Y653-Y1024 HydrophobicContact CE2-CE1 4Å; Y653-Y1024 HydrophobicContact CG-CD1 4.19Å; Y653-Y1024 HydrophobicContact CG-CE1 4.03Å; Y653-A1027 HydrophobicContact CD1-CB 4.33Å; Y653-A1027 WeakPolarHBondContact O-CB 3.35Å; Y653-I1028 HydrophobicContact CE1-CG1 4.46Å; Y653-I1031 HydrophobicContact CD1-CD1 4.09Å; Y653-I1031 HydrophobicContact CE1-CD1 4.46Å |
| 654 | K | 95 | Very high | 94.2 | Very high | 8 Ų | 8 | 9.1 Ų | 9.1 | 4% | 0.035 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.2 | -50 | 176.5 | -177.1 | -179.9 | -57.3 | -178.6 | 0 | 112.5 | L650 M651 T652 A656 V657 V658 N891 L913 N916 A917 V920 | L650-K654 WeakPolarHBondContact O-CB 3.31Å; L650-K654 PolarHBondContact O-N 2.94Å; M651-K654 HydrophobicContact SD-CD 4.2Å; T652-K654 VanDerWaalsContact C-N 3.33Å; T652-K654 PolarHBondContact O-N 2.88Å; K654-A656 VanDerWaalsContact C-N 3.26Å; K654-A656 PolarHBondContact O-N 3.2Å; K654-V657 PolarHBondContact O-N 3.15Å; K654-V657 VanDerWaalsContact O-N 3.14Å; K654-V658 WeakPolarHBondContact O-CG2 3.22Å; K654-V658 PolarHBondContact O-N 3.4Å; K654-V658 VanDerWaalsContact O-N 3.16Å; K654-N891 PolarHBondContact NZ-OD1 2.93Å; K654-L913 HydrophobicContact CB-CD2 4.27Å; K654-L913 WeakPolarHBondContact CG-O 3.4Å; K654-N916 VanDerWaalsContact CE-OD1 3.23Å; K654-N916 WeakPolarHBondContact CE-OD1 3.18Å; K654-N916 PolarHBondContact NZ-OD1 3.17Å; K654-A917 HydrophobicContact CD-CB 4.26Å; K654-A917 HydrophobicContact CG-CB 3.77Å; K654-V920 HydrophobicContact CD-CG1 4.22Å; K654-V920 HydrophobicContact CG-CG1 4.19Å |
| 655 | C | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56 | -43.2 | 175.1 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | M651 T652 V658 D659 V660 F662 | M651-C655 WeakPolarHBondContact O-CB 3.22Å; M651-C655 PolarHBondContact O-N 2.83Å; M651-C655 PolarHBondContact O-SG 2.87Å; T652-C655 PolarHBondContact O-N 2.96Å; C655-V658 PolarHBondContact O-N 2.7Å; C655-D659 PolarHBondContact O-N 2.92Å; C655-V660 HydrophobicContact CB-CB 4.33Å; C655-V660 HydrophobicContact CB-CG1 4.44Å; C655-V660 PolarHBondContact O-N 2.81Å; C655-F662 WeakPolarHBondContact CB-O 3.43Å |
| 656 | A | 96 | Very high | 94.7 | Very high | 10 Ų | 10 | 8.9 Ų | 8.9 | 8% | 0.083 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T652 Y653 K654 V658 A1027 K1030 I1031 | T652-A656 PolarHBondContact O-N 3.18Å; T652-A656 VanDerWaalsContact O-N 3.16Å; Y653-A656 PolarHBondContact O-N 2.55Å; K654-A656 VanDerWaalsContact C-N 3.26Å; K654-A656 PolarHBondContact O-N 3.2Å; A656-V658 PolarHBondContact O-N 2.87Å; A656-A1027 HydrophobicContact CB-CB 3.92Å; A656-K1030 WeakPolarHBondContact O-CD 3.43Å; A656-K1030 PolarHBondContact O-NZ 3.06Å; A656-I1031 HydrophobicContact CB-CD1 4.05Å; A656-I1031 HydrophobicContact CB-CG1 4.03Å |
| 657 | V | 94.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 173.8 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | Y653 K654 L913 F914 S1002 I1006 A1023 A1027 K1030 | Y653-V657 WeakPolarHBondContact O-CG2 3.42Å; Y653-V657 PolarHBondContact O-N 2.72Å; K654-V657 PolarHBondContact O-N 3.15Å; K654-V657 VanDerWaalsContact O-N 3.14Å; V657-L913 HydrophobicContact CG2-CB 4.27Å; V657-F914 HydrophobicContact CG1-CB 4.24Å; V657-F914 HydrophobicContact CG1-CD2 4.26Å; V657-S1002 PolarHBondContact O-OG 2.73Å; V657-I1006 HydrophobicContact CG1-CD1 3.88Å; V657-I1006 HydrophobicContact CG1-CG1 4.42Å; V657-A1023 HydrophobicContact CG2-CB 4.23Å; V657-A1023 WeakPolarHBondContact CG2-O 3.04Å; V657-A1027 HydrophobicContact CG2-CB 4.13Å; V657-K1030 PolarHBondContact O-NZ 3.22Å |
| 658 | V | 94.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 2% | 0.024 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 18.1 | -176.7 | -66 | 0 | 0 | 0 | 0 | 116.1 | K654 C655 A656 V660 A917 V920 T998 S1002 | K654-V658 WeakPolarHBondContact O-CG2 3.22Å; K654-V658 PolarHBondContact O-N 3.4Å; K654-V658 VanDerWaalsContact O-N 3.16Å; C655-V658 PolarHBondContact O-N 2.7Å; A656-V658 PolarHBondContact O-N 2.87Å; V658-V660 HydrophobicContact CB-CG2 4.42Å; V658-V660 HydrophobicContact CG2-CB 4.13Å; V658-V660 HydrophobicContact CG2-CG2 3.64Å; V658-V660 PolarHBondContact O-N 3.19Å; V658-A917 HydrophobicContact CB-CB 4.4Å; V658-A917 HydrophobicContact CG1-CB 3.49Å; V658-A917 VanDerWaalsContact CG1-CB 3.49Å; V658-A917 HydrophobicContact CG2-CB 4.02Å; V658-V920 HydrophobicContact CG2-CG1 4.17Å; V658-T998 HydrophobicContact CB-CG2 3.78Å; V658-T998 HydrophobicContact CG1-CG2 4.24Å; V658-T998 WeakPolarHBondContact O-CG2 3.49Å; V658-S1002 WeakPolarHBondContact CA-OG 3.3Å |
| 659 | D | 94.4 | Very high | 95.3 | Very high | 71 Ų | 71 | 8.7 Ų | 8.7 | 38% | 0.38 | 5% | 0.05 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 21.8 | -178.3 | -69.6 | -14.2 | 0 | 0 | 0 | 113.5 | C655 R1001 K1030 | C655-D659 PolarHBondContact O-N 2.92Å; D659-R1001 IonicContact OD2-CZ 3.36Å; D659-R1001 VanDerWaalsContact OD2-CZ 3.3Å; D659-R1001 IonicContact OD2-NE 3.05Å; D659-R1001 PolarHBondContact OD2-NE 3.02Å; D659-R1001 IonicContact OD2-NH2 2.93Å; D659-R1001 PolarHBondContact OD2-NH2 3.48Å; D659-K1030 WeakPolarHBondContact OD1-CE 3.43Å; D659-K1030 IonicContact OD1-NZ 3.41Å; D659-K1030 PolarHBondContact OD1-NZ 3.33Å |
| 660 | V | 95.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 10.2 Ų | 10.2 | 6% | 0.055 | 6% | 0.057 | C | C | . | . | trans | -81.4 | 124.1 | 178.7 | 167.7 | 0 | 0 | 0 | 0 | 109 | C655 V658 F662 V920 Y924 | C655-V660 HydrophobicContact CB-CB 4.33Å; C655-V660 HydrophobicContact CB-CG1 4.44Å; C655-V660 PolarHBondContact O-N 2.81Å; V658-V660 HydrophobicContact CB-CG2 4.42Å; V658-V660 HydrophobicContact CG2-CB 4.13Å; V658-V660 HydrophobicContact CG2-CG2 3.64Å; V658-V660 PolarHBondContact O-N 3.19Å; V660-F662 HydrophobicContact CG1-CB 4.3Å; V660-F662 HydrophobicContact CG1-CD2 3.3Å; V660-F662 HydrophobicContact CG1-CE2 3.84Å; V660-F662 HydrophobicContact CG1-CG 3.95Å; V660-F662 PolarHBondContact O-N 3.18Å; V660-V920 HydrophobicContact CG1-CG2 4.44Å; V660-Y924 HydrophobicContact CG1-CG 4.21Å; V660-Y924 HydrophobicContact CG2-CD1 4.35Å | ||
| 661 | P | 95.5 | Very high | 95.4 | Very high | 48 Ų | 48 | 10.2 Ų | 10.2 | 31% | 0.312 | 6% | 0.057 | S | C | . | . | trans | -82.4 | 50.8 | -167.7 | 35.5 | -38.9 | 0 | 0 | 0 | 113.2 | K626 Y924 | K626-P661 WeakPolarHBondContact CB-O 3.43Å; P661-Y924 HydrophobicContact CG-CD2 4.32Å; P661-Y924 HydrophobicContact CG-CE2 3.58Å | ||
| 662 | F | 97.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.009 | 6% | 0.061 | C | C | . | . | trans | -123.9 | 143.9 | -179.4 | -62.4 | -39.4 | 0 | 0 | 0 | 113 | P628 K630 C655 V660 Y924 W927 | P628-F662 HydrophobicContact CG-CD1 3.68Å; P628-F662 HydrophobicContact CG-CE1 3.55Å; P628-F662 WeakPolarHBondContact O-CA 3.37Å; K630-F662 HydrophobicContact CB-CB 3.72Å; K630-F662 HydrophobicContact CB-CD2 3.61Å; K630-F662 HydrophobicContact CB-CE2 4.39Å; K630-F662 HydrophobicContact CB-CG 3.84Å; K630-F662 HydrophobicContact CD-CD2 3.65Å; K630-F662 HydrophobicContact CD-CE2 3.54Å; K630-F662 HydrophobicContact CD-CG 4.27Å; K630-F662 HydrophobicContact CD-CZ 4.07Å; K630-F662 HydrophobicContact CG-CD2 3.6Å; K630-F662 HydrophobicContact CG-CE2 3.93Å; K630-F662 HydrophobicContact CG-CG 4.3Å; C655-F662 WeakPolarHBondContact CB-O 3.43Å; V660-F662 HydrophobicContact CG1-CB 4.3Å; V660-F662 HydrophobicContact CG1-CD2 3.3Å; V660-F662 HydrophobicContact CG1-CE2 3.84Å; V660-F662 HydrophobicContact CG1-CG 3.95Å; V660-F662 PolarHBondContact O-N 3.18Å; F662-Y924 HydrophobicContact CE1-CD2 4.27Å; F662-Y924 AromaticContact CE2-CD2 3.88Å; F662-Y924 HydrophobicContact CE2-CD2 3.88Å; F662-Y924 HydrophobicContact CE2-CG 4.25Å; F662-Y924 AromaticContact CZ-CD2 3.61Å; F662-Y924 HydrophobicContact CZ-CD2 3.61Å; F662-Y924 HydrophobicContact CZ-CE2 4.5Å; F662-Y924 HydrophobicContact CZ-CG 4.39Å; F662-W927 AromaticContact CE1-CD2 3.86Å; F662-W927 HydrophobicContact CE1-CD2 3.86Å; F662-W927 AromaticContact CE1-CE3 3.7Å; F662-W927 HydrophobicContact CE1-CE3 3.7Å; F662-W927 HydrophobicContact CE1-CG 4.5Å; F662-W927 HydrophobicContact CE1-CH2 4.13Å; F662-W927 HydrophobicContact CE1-CZ2 4.3Å; F662-W927 AromaticContact CE1-CZ3 3.84Å; F662-W927 HydrophobicContact CE1-CZ3 3.84Å; F662-W927 HydrophobicContact CZ-CB 4.21Å; F662-W927 AromaticContact CZ-CD2 3.78Å; F662-W927 HydrophobicContact CZ-CD2 3.78Å; F662-W927 AromaticContact CZ-CE3 3.69Å; F662-W927 HydrophobicContact CZ-CE3 3.69Å; F662-W927 HydrophobicContact CZ-CG 4.04Å; F662-W927 HydrophobicContact CZ-CZ3 4.28Å | ||
| 663 | G | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 159.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S623 K626 P628 C629 K630 | S623-G663 WeakPolarHBondContact O-CA 3.42Å; K626-G663 PolarHBondContact O-N 3.16Å; K626-G663 VanDerWaalsContact O-N 3.14Å; P628-G663 PolarHBondContact O-N 3.26Å; C629-G663 CarbonylContact C-O 3.58Å; C629-G663 WeakPolarHBondContact CA-O 3.37Å; K630-G663 PolarHBondContact N-O 3.49Å |
| 664 | G | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H622 T652 | H622-G664 PolarHBondContact N-O 3.31Å; T652-G664 WeakPolarHBondContact OG1-CA 3.35Å; T652-G664 PolarHBondContact OG1-N 3.24Å; T652-G664 VanDerWaalsContact OG1-N 3.1Å |
| 665 | S | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 173 | 166.1 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | R619 C620 K630 G631 D703 | R619-S665 PolarHBondContact NH2-OG 2.98Å; R619-S665 VanDerWaalsContact NH2-OG 3.08Å; C620-S665 CarbonylContact O-C 3.57Å; C620-S665 WeakPolarHBondContact O-CA 3.43Å; C620-S665 WeakPolarHBondContact O-CB 3.48Å; K630-S665 PolarHBondContact N-OG 3.31Å; K630-S665 PolarHBondContact O-N 3.49Å; K630-S665 PolarHBondContact O-OG 3.28Å; G631-S665 WeakPolarHBondContact CA-O 3.45Å; G631-S665 PolarHBondContact N-OG 3.09Å; S665-D703 WeakPolarHBondContact CB-OD1 3.42Å; S665-D703 PolarHBondContact OG-OD1 3.44Å |
| 666 | K | 96.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 150 | 167.8 | -169.7 | 77.6 | 173.3 | -152 | 0 | 108.4 | R619 C620 V644 L647 A648 D708 | R619-K666 CarbonylContact C-O 3.43Å; R619-K666 WeakPolarHBondContact CA-O 3.43Å; R619-K666 WeakPolarHBondContact CD-O 3.46Å; C620-K666 PolarHBondContact N-O 3.13Å; C620-K666 PolarHBondContact O-N 3.29Å; V644-K666 HydrophobicContact CG1-CB 4.21Å; V644-K666 HydrophobicContact CG1-CG 4.45Å; V644-K666 WeakPolarHBondContact O-CB 3.42Å; L647-K666 HydrophobicContact CB-CB 4.27Å; L647-K666 HydrophobicContact CB-CD 3.69Å; L647-K666 HydrophobicContact CB-CG 3.72Å; L647-K666 HydrophobicContact CD1-CD 4.47Å; A648-K666 HydrophobicContact CB-CB 3.83Å; K666-D708 IonicContact NZ-OD1 3.72Å; K666-D708 PolarHBondContact NZ-OD1 3.37Å; K666-D708 VanDerWaalsContact NZ-OD1 3.17Å; K666-D708 IonicContact NZ-OD2 3.69Å; K666-D708 PolarHBondContact NZ-OD2 2.64Å |
| 667 | G | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 158.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W618 R619 G632 I633 R634 | W618-G667 CarbonylContact O-C 3.47Å; W618-G667 WeakPolarHBondContact O-CA 3.4Å; R619-G667 VanDerWaalsContact NH1-N 3.13Å; G632-G667 PolarHBondContact O-N 2.98Å; I633-G667 WeakPolarHBondContact CA-O 3.23Å; R634-G667 PolarHBondContact N-O 3.32Å |
| 668 | A | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 156.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A617 W618 R634 V639 V644 | A617-A668 CarbonylContact C-O 3.56Å; A617-A668 VanDerWaalsContact CA-O 3.27Å; A617-A668 WeakPolarHBondContact CA-O 3.25Å; A617-A668 WeakPolarHBondContact CB-O 3.25Å; W618-A668 PolarHBondContact N-O 2.82Å; W618-A668 PolarHBondContact O-N 2.91Å; R634-A668 HydrophobicContact CB-CB 4.06Å; R634-A668 CarbonylContact O-C 3.57Å; R634-A668 WeakPolarHBondContact O-CA 3.41Å; R634-A668 WeakPolarHBondContact O-CB 3.34Å; V639-A668 HydrophobicContact CB-CB 3.76Å; V639-A668 HydrophobicContact CG1-CB 3.96Å; V639-A668 HydrophobicContact CG2-CB 3.74Å; V644-A668 HydrophobicContact CG2-CB 3.39Å |
| 669 | V | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | I615 A617 R634 Y635 A636 I671 I684 L688 | I615-V669 HydrophobicContact CG2-CG1 3.34Å; A617-V669 HydrophobicContact CB-CB 4.36Å; A617-V669 HydrophobicContact CB-CG1 4.35Å; A617-V669 HydrophobicContact CB-CG2 3.9Å; R634-V669 PolarHBondContact O-N 2.79Å; Y635-V669 HydrophobicContact CD1-CB 3.64Å; Y635-V669 HydrophobicContact CD1-CG2 3.81Å; Y635-V669 HydrophobicContact CE1-CB 3.66Å; Y635-V669 HydrophobicContact CE1-CG1 4.48Å; Y635-V669 HydrophobicContact CE1-CG2 3.36Å; A636-V669 PolarHBondContact N-O 3.43Å; V669-I671 HydrophobicContact CB-CD1 4.5Å; V669-I671 HydrophobicContact CB-CG1 4.34Å; V669-I671 HydrophobicContact CG1-CD1 3.94Å; V669-I671 HydrophobicContact CG1-CG1 3.98Å; V669-I671 HydrophobicContact CG1-CG2 4.22Å; V669-I671 PolarHBondContact O-N 3.49Å; V669-I684 HydrophobicContact CG1-CG2 4.2Å; V669-L688 HydrophobicContact CG2-CD1 3.97Å; V669-L688 HydrophobicContact CG2-CD2 3.56Å; V669-L688 HydrophobicContact CG2-CG 4.41Å |
| 670 | K | 93.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | trans | -84.2 | 55.8 | -163.9 | -151.4 | 179.5 | -152.9 | -176.4 | 0 | 113.9 | F530 E616 W618 A636 P637 V639 | F530-K670 HydrophobicContact CD1-CD 4.1Å; F530-K670 HydrophobicContact CD2-CD 3.6Å; F530-K670 HydrophobicContact CD2-CG 4.12Å; F530-K670 HydrophobicContact CE1-CD 4.25Å; F530-K670 VanDerWaalsContact CE1-CE 3.43Å; F530-K670 HydrophobicContact CE2-CD 3.73Å; F530-K670 HydrophobicContact CE2-CG 3.78Å; F530-K670 HydrophobicContact CG-CD 3.81Å; F530-K670 VanDerWaalsContact CG-NZ 3.29Å; F530-K670 HydrophobicContact CZ-CD 4.08Å; F530-K670 HydrophobicContact CZ-CG 4.13Å; E616-K670 HydrophobicContact CB-CB 4.01Å; E616-K670 HydrophobicContact CB-CD 3.9Å; E616-K670 WeakPolarHBondContact O-CB 3.29Å; E616-K670 PolarHBondContact O-N 3Å; E616-K670 WeakPolarHBondContact OE2-CD 3.18Å; E616-K670 WeakPolarHBondContact OE2-CE 3.17Å; E616-K670 IonicContact OE2-NZ 2.68Å; E616-K670 PolarHBondContact OE2-NZ 2.8Å; W618-K670 HydrophobicContact CH2-CD 3.83Å; W618-K670 HydrophobicContact CZ3-CB 4.17Å; W618-K670 HydrophobicContact CZ3-CD 3.91Å; W618-K670 HydrophobicContact CZ3-CG 4.25Å; A636-K670 CarbonylContact O-C 3.59Å; P637-K670 VanDerWaalsContact O-CG 3.28Å; P637-K670 WeakPolarHBondContact O-CG 3.27Å; V639-K670 HydrophobicContact CG2-CB 4.06Å; V639-K670 HydrophobicContact CG2-CG 4.06Å; V639-K670 VanDerWaalsContact O-CE 3.31Å; V639-K670 WeakPolarHBondContact O-CE 3.42Å | ||
| 671 | I | 92.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | trans | -134.6 | 145.6 | -171.2 | 60.8 | 178.6 | 0 | 0 | 0 | 112 | I615 Y635 A636 V669 P673 Y676 L681 I684 | I615-I671 HydrophobicContact CD1-CG2 3.74Å; Y635-I671 CarbonylContact C-O 3.56Å; Y635-I671 HydrophobicContact CD2-CD1 3.76Å; Y635-I671 HydrophobicContact CD2-CG1 4.3Å; Y635-I671 HydrophobicContact CE2-CD1 4.01Å; Y635-I671 HydrophobicContact CG-CD1 4.03Å; Y635-I671 HydrophobicContact CG-CG1 4.12Å; A636-I671 CarbonylContact C-O 3.44Å; A636-I671 WeakPolarHBondContact CA-O 3.4Å; A636-I671 PolarHBondContact N-O 3.24Å; A636-I671 PolarHBondContact O-N 3.05Å; V669-I671 HydrophobicContact CB-CD1 4.5Å; V669-I671 HydrophobicContact CB-CG1 4.34Å; V669-I671 HydrophobicContact CG1-CD1 3.94Å; V669-I671 HydrophobicContact CG1-CG1 3.98Å; V669-I671 HydrophobicContact CG1-CG2 4.22Å; V669-I671 PolarHBondContact O-N 3.49Å; I671-P673 VanDerWaalsContact O-CD 3.32Å; I671-P673 WeakPolarHBondContact O-CD 3.17Å; I671-Y676 HydrophobicContact CB-CE2 3.7Å; I671-Y676 HydrophobicContact CG2-CE2 4.06Å; I671-Y676 WeakPolarHBondContact CG2-OH 3.45Å; I671-L681 HydrophobicContact CD1-CD2 4.17Å; I671-I684 HydrophobicContact CD1-CD1 3.93Å; I671-I684 HydrophobicContact CD1-CG2 4.11Å | ||
| 672 | D | 91.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | trans | -90.4 | 102.6 | 164.6 | 175.8 | -7.8 | 0 | 0 | 0 | 108.5 | P637 S674 K675 Y676 | P637-D672 HydrophobicContact CB-CB 4.23Å; P637-D672 HydrophobicContact CG-CB 4.23Å; D672-S674 VanDerWaalsContact CG-OG 3.3Å; D672-S674 PolarHBondContact O-N 3.26Å; D672-S674 WeakPolarHBondContact OD1-CB 3.45Å; D672-S674 PolarHBondContact OD1-N 2.85Å; D672-S674 PolarHBondContact OD1-OG 2.81Å; D672-S674 PolarHBondContact OD2-OG 2.94Å; D672-K675 HydrophobicContact CB-CD 4.11Å; D672-K675 HydrophobicContact CB-CG 4.28Å; D672-K675 PolarHBondContact O-N 2.86Å; D672-K675 VanDerWaalsContact OD2-CE 3.27Å; D672-K675 WeakPolarHBondContact OD2-CE 3.34Å; D672-K675 IonicContact OD2-NZ 2.76Å; D672-K675 PolarHBondContact OD2-NZ 2.94Å; D672-Y676 WeakPolarHBondContact O-CD2 3.46Å; D672-Y676 WeakPolarHBondContact O-CE2 3.22Å | ||
| 673 | P | 91 | Very high | 94 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.6 | -14.8 | -171.1 | 25.6 | -34.4 | 0 | 0 | 0 | 113.9 | I671 K675 L681 | I671-P673 VanDerWaalsContact O-CD 3.32Å; I671-P673 WeakPolarHBondContact O-CD 3.17Å; P673-K675 PolarHBondContact O-N 3.15Å; P673-L681 HydrophobicContact CB-CD2 4.11Å |
| 674 | S | 88.8 | Confident | 94 | Very high | 97 Ų | 97 | 36.7 Ų | 36.7 | 68% | 0.678 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -69.3 | -18.6 | 173.7 | 72 | 0 | 0 | 0 | 0 | 113.6 | D672 | D672-S674 VanDerWaalsContact CG-OG 3.3Å; D672-S674 PolarHBondContact O-N 3.26Å; D672-S674 WeakPolarHBondContact OD1-CB 3.45Å; D672-S674 PolarHBondContact OD1-N 2.85Å; D672-S674 PolarHBondContact OD1-OG 2.81Å; D672-S674 PolarHBondContact OD2-OG 2.94Å |
| 675 | K | 92.5 | Very high | 94 | Very high | 137 Ų | 137 | 36.7 Ų | 36.7 | 60% | 0.596 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -94.5 | 10.3 | -176.5 | -63.6 | -177.3 | 177 | 122.2 | 0 | 114 | R607 D672 P673 | R607-K675 PolarHBondContact NH2-O 3.28Å; D672-K675 HydrophobicContact CB-CD 4.11Å; D672-K675 HydrophobicContact CB-CG 4.28Å; D672-K675 PolarHBondContact O-N 2.86Å; D672-K675 VanDerWaalsContact OD2-CE 3.27Å; D672-K675 WeakPolarHBondContact OD2-CE 3.34Å; D672-K675 IonicContact OD2-NZ 2.76Å; D672-K675 PolarHBondContact OD2-NZ 2.94Å; P673-K675 PolarHBondContact O-N 3.15Å |
| 676 | Y | 93 | Very high | 93.9 | Very high | 27 Ų | 27 | 40 Ų | 40 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -129.5 | 148.6 | -175.6 | -60 | -92.5 | 0 | 0 | 0 | 111.5 | I605 E613 I671 D672 E680 L681 I684 | I605-Y676 HydrophobicContact CD1-CE1 4.43Å; E613-Y676 PolarHBondContact OE1-OH 3Å; I671-Y676 HydrophobicContact CB-CE2 3.7Å; I671-Y676 HydrophobicContact CG2-CE2 4.06Å; I671-Y676 WeakPolarHBondContact CG2-OH 3.45Å; D672-Y676 WeakPolarHBondContact O-CD2 3.46Å; D672-Y676 WeakPolarHBondContact O-CE2 3.22Å; Y676-E680 VanDerWaalsContact CA-OE2 3.26Å; Y676-E680 WeakPolarHBondContact CA-OE2 2.88Å; Y676-E680 HydrophobicContact CD1-CB 4.21Å; Y676-L681 HydrophobicContact CG-CD2 4.41Å; Y676-I684 HydrophobicContact CD1-CD1 4.06Å; Y676-I684 HydrophobicContact CE1-CD1 4.22Å; Y676-I684 HydrophobicContact CG-CD1 4.48Å |
| 677 | S | 94.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | trans | -68.9 | 160.8 | 169.7 | 94.1 | 0 | 0 | 0 | 0 | 110.9 | D608 H679 E680 L681 | D608-S677 VanDerWaalsContact OD2-CB 3.31Å; D608-S677 WeakPolarHBondContact OD2-CB 3.49Å; D608-S677 PolarHBondContact OD2-OG 3.3Å; S677-H679 PolarHBondContact O-N 3.03Å; S677-H679 PolarHBondContact OG-N 3.46Å; S677-H679 VanDerWaalsContact OG-N 3.09Å; S677-E680 PolarHBondContact N-OE2 2.83Å; S677-E680 PolarHBondContact O-N 2.89Å; S677-E680 PolarHBondContact OG-N 3.32Å; S677-L681 WeakPolarHBondContact O-CG 3.1Å; S677-L681 PolarHBondContact O-N 3.5Å | ||
| 678 | L | 93.3 | Very high | 93.7 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 55% | 0.55 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.8 | -33.3 | 172.3 | -170.4 | 71.8 | 0 | 0 | 0 | 111.9 | E682 K714 W718 | L678-E682 PolarHBondContact O-N 3.18Å; L678-K714 HydrophobicContact CD1-CD 4.29Å; L678-W718 HydrophobicContact CD1-CH2 3.77Å; L678-W718 HydrophobicContact CD1-CZ2 4.16Å; L678-W718 HydrophobicContact CG-CH2 4.21Å; L678-W718 HydrophobicContact CG-CZ2 4.29Å |
| 679 | H | 93.8 | Very high | 93.8 | Very high | 119 Ų | 119 | 43.5 Ų | 43.5 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -75.6 | -34.7 | 179 | -175.1 | 50.4 | 0 | 0 | 0 | 112.1 | D608 S677 E682 K683 | D608-H679 IonicContact OD1-CD2 2.7Å; D608-H679 PolarHBondContact OD1-CD2 3.47Å; D608-H679 IonicContact OD2-CD2 3.87Å; S677-H679 PolarHBondContact O-N 3.03Å; S677-H679 PolarHBondContact OG-N 3.46Å; S677-H679 VanDerWaalsContact OG-N 3.09Å; H679-E682 IonicContact CE1-OE2 2.96Å; H679-K683 WeakPolarHBondContact CD2-CE 3.31Å; H679-K683 PolarHBondContact CD2-NZ 3.06Å; H679-K683 VanDerWaalsContact O-CG 3.24Å; H679-K683 WeakPolarHBondContact O-CG 3.44Å; H679-K683 PolarHBondContact O-N 3.01Å; H679-K683 VanDerWaalsContact O-N 3.09Å |
| 680 | E | 93.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 169.6 | -69.8 | 175.3 | 146.3 | 0 | 0 | 111.2 | R607 D608 Y676 S677 E682 K683 I684 | R607-E680 WeakPolarHBondContact CA-OE1 3.47Å; R607-E680 WeakPolarHBondContact CB-OE1 3.44Å; R607-E680 IonicContact CZ-OE1 2.62Å; R607-E680 IonicContact CZ-OE2 2.88Å; R607-E680 IonicContact NE-OE1 3.7Å; R607-E680 PolarHBondContact NE-OE1 2.84Å; R607-E680 IonicContact NE-OE2 2.68Å; R607-E680 IonicContact NH2-OE1 3.9Å; R607-E680 PolarHBondContact NH2-OE1 3.01Å; R607-E680 IonicContact NH2-OE2 2.65Å; R607-E680 PolarHBondContact NH2-OE2 3.44Å; D608-E680 HydrophobicContact CB-CG 4.43Å; D608-E680 PolarHBondContact N-OE1 2.88Å; Y676-E680 VanDerWaalsContact CA-OE2 3.26Å; Y676-E680 WeakPolarHBondContact CA-OE2 2.88Å; Y676-E680 HydrophobicContact CD1-CB 4.21Å; S677-E680 PolarHBondContact N-OE2 2.83Å; S677-E680 PolarHBondContact O-N 2.89Å; S677-E680 PolarHBondContact OG-N 3.32Å; E680-E682 VanDerWaalsContact C-N 3.35Å; E680-E682 PolarHBondContact O-N 2.75Å; E680-K683 PolarHBondContact O-N 3.33Å; E680-I684 WeakPolarHBondContact O-CD1 3.21Å; E680-I684 VanDerWaalsContact O-CG1 3.25Å; E680-I684 WeakPolarHBondContact O-CG1 3.14Å; E680-I684 PolarHBondContact O-N 3.21Å |
| 681 | L | 95.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.8 | -68.8 | 173.7 | 0 | 0 | 0 | 112.5 | Y635 I671 P673 Y676 S677 I684 T685 W718 | Y635-L681 HydrophobicContact CD2-CD2 4.43Å; Y635-L681 HydrophobicContact CE2-CD2 4.4Å; I671-L681 HydrophobicContact CD1-CD2 4.17Å; P673-L681 HydrophobicContact CB-CD2 4.11Å; Y676-L681 HydrophobicContact CG-CD2 4.41Å; S677-L681 WeakPolarHBondContact O-CG 3.1Å; S677-L681 PolarHBondContact O-N 3.5Å; L681-I684 HydrophobicContact CD2-CD1 4.49Å; L681-I684 PolarHBondContact O-N 2.74Å; L681-T685 WeakPolarHBondContact O-CB 3.46Å; L681-T685 PolarHBondContact O-N 2.8Å; L681-T685 PolarHBondContact O-OG1 3.11Å; L681-W718 HydrophobicContact CB-CH2 4.34Å; L681-W718 HydrophobicContact CB-CZ3 4.14Å |
| 682 | E | 95.6 | Very high | 93.6 | Very high | 47 Ų | 47 | 44 Ų | 44 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -49.8 | 173.7 | -176.3 | 165.8 | -171.5 | 0 | 0 | 111.3 | L678 H679 E680 I684 T685 R686 W718 | L678-E682 PolarHBondContact O-N 3.18Å; H679-E682 IonicContact CE1-OE2 2.96Å; E680-E682 VanDerWaalsContact C-N 3.35Å; E680-E682 PolarHBondContact O-N 2.75Å; E682-I684 VanDerWaalsContact C-N 3.3Å; E682-I684 PolarHBondContact O-N 3.04Å; E682-T685 PolarHBondContact O-N 3.05Å; E682-R686 HydrophobicContact CG-CG 4.06Å; E682-R686 WeakPolarHBondContact O-CB 3.33Å; E682-R686 VanDerWaalsContact O-CG 3.29Å; E682-R686 WeakPolarHBondContact O-CG 3.36Å; E682-R686 PolarHBondContact O-N 3.21Å; E682-R686 IonicContact OE1-CZ 3.34Å; E682-R686 VanDerWaalsContact OE1-CZ 3.23Å; E682-R686 IonicContact OE1-NE 3.18Å; E682-R686 PolarHBondContact OE1-NE 3Å; E682-R686 IonicContact OE1-NH2 3.95Å; E682-R686 PolarHBondContact OE1-NH2 2.6Å; E682-W718 HydrophobicContact CB-CD2 4.03Å; E682-W718 HydrophobicContact CB-CE3 4.25Å; E682-W718 HydrophobicContact CB-CH2 3.94Å; E682-W718 HydrophobicContact CB-CZ2 3.68Å; E682-W718 HydrophobicContact CB-CZ3 4.23Å; E682-W718 HydrophobicContact CG-CD2 3.88Å; E682-W718 HydrophobicContact CG-CG 4.01Å; E682-W718 HydrophobicContact CG-CZ2 4.14Å; E682-W718 PolarHBondContact OE1-NE1 2.66Å |
| 683 | K | 93.5 | Very high | 93.7 | Very high | 61 Ų | 61 | 43 Ų | 43 | 27% | 0.265 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.1 | -46.2 | 176.5 | -69 | 163.4 | -168.9 | 169.1 | 0 | 111.7 | R606 D608 H679 E680 R687 | R606-K683 PolarHBondContact O-NZ 2.83Å; R606-K683 VanDerWaalsContact O-NZ 3.15Å; D608-K683 IonicContact OD1-NZ 2.78Å; D608-K683 PolarHBondContact OD1-NZ 2.83Å; H679-K683 WeakPolarHBondContact CD2-CE 3.31Å; H679-K683 PolarHBondContact CD2-NZ 3.06Å; H679-K683 VanDerWaalsContact O-CG 3.24Å; H679-K683 WeakPolarHBondContact O-CG 3.44Å; H679-K683 PolarHBondContact O-N 3.01Å; H679-K683 VanDerWaalsContact O-N 3.09Å; E680-K683 PolarHBondContact O-N 3.33Å; K683-R687 WeakPolarHBondContact O-CB 3.19Å; K683-R687 PolarHBondContact O-N 2.96Å |
| 684 | I | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.6 | -54.2 | 177.1 | -69.4 | 163.3 | 0 | 0 | 0 | 110.2 | F603 I605 I615 V669 I671 Y676 E680 L681 E682 R686 R687 L688 | F603-I684 HydrophobicContact CZ-CG2 4.35Å; I605-I684 HydrophobicContact CD1-CD1 3.95Å; I605-I684 HydrophobicContact CD1-CG1 3.89Å; I605-I684 HydrophobicContact CG2-CG1 3.92Å; I615-I684 HydrophobicContact CD1-CD1 3.95Å; I615-I684 HydrophobicContact CD1-CG1 4.06Å; I615-I684 HydrophobicContact CG1-CG1 4.14Å; I615-I684 HydrophobicContact CG2-CG2 4.05Å; V669-I684 HydrophobicContact CG1-CG2 4.2Å; I671-I684 HydrophobicContact CD1-CD1 3.93Å; I671-I684 HydrophobicContact CD1-CG2 4.11Å; Y676-I684 HydrophobicContact CD1-CD1 4.06Å; Y676-I684 HydrophobicContact CE1-CD1 4.22Å; Y676-I684 HydrophobicContact CG-CD1 4.48Å; E680-I684 WeakPolarHBondContact O-CD1 3.21Å; E680-I684 VanDerWaalsContact O-CG1 3.25Å; E680-I684 WeakPolarHBondContact O-CG1 3.14Å; E680-I684 PolarHBondContact O-N 3.21Å; L681-I684 HydrophobicContact CD2-CD1 4.49Å; L681-I684 PolarHBondContact O-N 2.74Å; E682-I684 VanDerWaalsContact C-N 3.3Å; E682-I684 PolarHBondContact O-N 3.04Å; I684-R686 PolarHBondContact O-N 2.86Å; I684-R687 PolarHBondContact O-N 3.03Å; I684-L688 WeakPolarHBondContact O-CB 3.42Å; I684-L688 PolarHBondContact O-N 2.63Å |
| 685 | T | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | -174.5 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | Y635 L681 E682 L688 A689 E715 W718 I719 | Y635-T685 PolarHBondContact OH-OG1 2.85Å; L681-T685 WeakPolarHBondContact O-CB 3.46Å; L681-T685 PolarHBondContact O-N 2.8Å; L681-T685 PolarHBondContact O-OG1 3.11Å; E682-T685 PolarHBondContact O-N 3.05Å; T685-L688 WeakPolarHBondContact O-CB 3.3Å; T685-L688 PolarHBondContact O-N 3.47Å; T685-A689 PolarHBondContact O-N 2.9Å; T685-A689 VanDerWaalsContact O-N 3.08Å; T685-E715 HydrophobicContact CG2-CB 4.22Å; T685-E715 WeakPolarHBondContact CG2-O 3.39Å; T685-W718 HydrophobicContact CG2-CB 3.87Å; T685-W718 HydrophobicContact CG2-CE3 4.04Å; T685-I719 HydrophobicContact CG2-CD1 4.16Å; T685-I719 HydrophobicContact CG2-CG1 3.7Å |
| 686 | R | 95.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 36.8 Ų | 36.8 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66 | -42 | 178.1 | -64.3 | -169.6 | 172.5 | -92.1 | 8.5 | 111.8 | E682 I684 L688 A689 V690 W718 D721 T722 | E682-R686 HydrophobicContact CG-CG 4.06Å; E682-R686 WeakPolarHBondContact O-CB 3.33Å; E682-R686 VanDerWaalsContact O-CG 3.29Å; E682-R686 WeakPolarHBondContact O-CG 3.36Å; E682-R686 PolarHBondContact O-N 3.21Å; E682-R686 IonicContact OE1-CZ 3.34Å; E682-R686 VanDerWaalsContact OE1-CZ 3.23Å; E682-R686 IonicContact OE1-NE 3.18Å; E682-R686 PolarHBondContact OE1-NE 3Å; E682-R686 IonicContact OE1-NH2 3.95Å; E682-R686 PolarHBondContact OE1-NH2 2.6Å; I684-R686 PolarHBondContact O-N 2.86Å; R686-L688 PolarHBondContact O-N 2.88Å; R686-A689 PolarHBondContact O-N 3.28Å; R686-V690 WeakPolarHBondContact O-CG2 3.43Å; R686-V690 PolarHBondContact O-N 2.69Å; R686-W718 HydrophobicContact CG-CB 4.23Å; R686-D721 IonicContact CZ-OD2 3.36Å; R686-D721 IonicContact NH1-OD2 3.24Å; R686-D721 PolarHBondContact NH1-OD2 3.1Å; R686-D721 IonicContact NH2-OD2 3.63Å; R686-D721 PolarHBondContact NH2-OD2 2.78Å; R686-T722 HydrophobicContact CB-CG2 4.27Å; R686-T722 VanDerWaalsContact CG-OG1 3.25Å; R686-T722 WeakPolarHBondContact CG-OG1 3.42Å; R686-T722 PolarHBondContact NH1-OG1 3.41Å |
| 687 | R | 92.8 | Very high | 93.7 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 177.7 | -175.9 | 59.6 | -171 | -90 | 6.4 | 111.9 | F603 K683 I684 V690 E691 | F603-R687 HydrophobicContact CB-CG 4.24Å; F603-R687 HydrophobicContact CD2-CB 3.94Å; F603-R687 HydrophobicContact CD2-CG 3.35Å; F603-R687 HydrophobicContact CE2-CB 3.83Å; F603-R687 HydrophobicContact CE2-CG 3.79Å; F603-R687 HydrophobicContact CG-CG 3.85Å; K683-R687 WeakPolarHBondContact O-CB 3.19Å; K683-R687 PolarHBondContact O-N 2.96Å; I684-R687 PolarHBondContact O-N 3.03Å; R687-V690 PolarHBondContact O-N 2.86Å; R687-E691 IonicContact CZ-OE1 3.72Å; R687-E691 VanDerWaalsContact CZ-OE1 3.31Å; R687-E691 IonicContact NE-OE1 3.18Å; R687-E691 PolarHBondContact NE-OE1 3.29Å; R687-E691 IonicContact NH2-OE1 3.91Å; R687-E691 PolarHBondContact NH2-OE1 3.22Å; R687-E691 PolarHBondContact O-N 2.83Å |
| 688 | L | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 174.5 | -172.5 | 74.7 | 0 | 0 | 0 | 111.7 | F603 A617 I633 V669 I684 T685 R686 V690 E691 W692 | F603-L688 HydrophobicContact CE1-CB 4.27Å; F603-L688 HydrophobicContact CE1-CD1 3.65Å; F603-L688 HydrophobicContact CZ-CB 4.02Å; F603-L688 HydrophobicContact CZ-CD1 4.08Å; A617-L688 HydrophobicContact CB-CD1 3.57Å; I633-L688 HydrophobicContact CG2-CD2 4.46Å; V669-L688 HydrophobicContact CG2-CD1 3.97Å; V669-L688 HydrophobicContact CG2-CD2 3.56Å; V669-L688 HydrophobicContact CG2-CG 4.41Å; I684-L688 WeakPolarHBondContact O-CB 3.42Å; I684-L688 PolarHBondContact O-N 2.63Å; T685-L688 WeakPolarHBondContact O-CB 3.3Å; T685-L688 PolarHBondContact O-N 3.47Å; R686-L688 PolarHBondContact O-N 2.88Å; L688-V690 VanDerWaalsContact C-N 3.31Å; L688-V690 PolarHBondContact O-N 3.09Å; L688-E691 PolarHBondContact O-N 3.4Å; L688-W692 HydrophobicContact CD1-CD2 4.25Å; L688-W692 HydrophobicContact CD1-CH2 4.28Å; L688-W692 HydrophobicContact CD1-CZ2 3.62Å; L688-W692 HydrophobicContact CD2-CE3 4.38Å; L688-W692 HydrophobicContact CD2-CH2 3.62Å; L688-W692 HydrophobicContact CD2-CZ2 3.85Å; L688-W692 HydrophobicContact CD2-CZ3 3.91Å; L688-W692 HydrophobicContact CG-CD2 4Å; L688-W692 HydrophobicContact CG-CE3 4.19Å; L688-W692 HydrophobicContact CG-CH2 4.03Å; L688-W692 HydrophobicContact CG-CZ2 3.83Å; L688-W692 HydrophobicContact CG-CZ3 4.2Å; L688-W692 PolarHBondContact O-N 2.96Å |
| 689 | A | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | T685 R686 W692 S693 L698 I719 T722 | T685-A689 PolarHBondContact O-N 2.9Å; T685-A689 VanDerWaalsContact O-N 3.08Å; R686-A689 PolarHBondContact O-N 3.28Å; A689-W692 PolarHBondContact O-N 2.92Å; A689-S693 WeakPolarHBondContact O-CB 3.24Å; A689-S693 PolarHBondContact O-N 2.95Å; A689-S693 PolarHBondContact O-OG 2.97Å; A689-L698 HydrophobicContact CB-CD2 3.87Å; A689-I719 HydrophobicContact CB-CG1 4.3Å; A689-I719 HydrophobicContact CB-CG2 4.31Å; A689-T722 HydrophobicContact CB-CG2 4.27Å |
| 690 | V | 93 | Very high | 93.9 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 20% | 0.2 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 178.1 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | R686 R687 L688 S693 K694 T722 | R686-V690 WeakPolarHBondContact O-CG2 3.43Å; R686-V690 PolarHBondContact O-N 2.69Å; R687-V690 PolarHBondContact O-N 2.86Å; L688-V690 VanDerWaalsContact C-N 3.31Å; L688-V690 PolarHBondContact O-N 3.09Å; V690-S693 PolarHBondContact O-OG 3.11Å; V690-K694 HydrophobicContact CG1-CD 4.12Å; V690-K694 WeakPolarHBondContact O-CB 3.22Å; V690-K694 WeakPolarHBondContact O-CD 3.25Å; V690-K694 WeakPolarHBondContact O-CG 3.45Å; V690-K694 PolarHBondContact O-N 2.72Å; V690-T722 HydrophobicContact CG2-CG2 3.57Å |
| 691 | E | 91.7 | Very high | 94 | Very high | 11 Ų | 11 | 25 Ų | 25 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.8 | -32.9 | 178.2 | -64 | -52.4 | 145.8 | 0 | 0 | 112.7 | K78 V601 R687 L688 K694 K695 | K78-E691 IonicContact NZ-OE2 3.77Å; V601-E691 HydrophobicContact CG1-CB 4.48Å; R687-E691 IonicContact CZ-OE1 3.72Å; R687-E691 VanDerWaalsContact CZ-OE1 3.31Å; R687-E691 IonicContact NE-OE1 3.18Å; R687-E691 PolarHBondContact NE-OE1 3.29Å; R687-E691 IonicContact NH2-OE1 3.91Å; R687-E691 PolarHBondContact NH2-OE1 3.22Å; R687-E691 PolarHBondContact O-N 2.83Å; L688-E691 PolarHBondContact O-N 3.4Å; E691-K694 IonicContact OE1-NZ 3.53Å; E691-K694 PolarHBondContact OE1-NZ 3.32Å; E691-K694 IonicContact OE2-NZ 3.68Å; E691-K695 WeakPolarHBondContact O-CG 3.4Å |
| 692 | W | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.1 | -40.9 | 174.3 | -72.1 | -5.7 | 0 | 0 | 0 | 112.8 | W618 R619 I633 L688 A689 K695 G696 F697 L698 P705 | W618-W692 WeakPolarHBondContact O-CZ2 3.28Å; R619-W692 HydrophobicContact CB-CD2 4.32Å; R619-W692 HydrophobicContact CB-CZ2 3.96Å; I633-W692 HydrophobicContact CD1-CH2 4.17Å; I633-W692 HydrophobicContact CD1-CZ3 3.67Å; I633-W692 HydrophobicContact CG1-CH2 4.08Å; I633-W692 HydrophobicContact CG1-CZ3 3.94Å; I633-W692 HydrophobicContact CG2-CH2 4.28Å; L688-W692 HydrophobicContact CD1-CD2 4.25Å; L688-W692 HydrophobicContact CD1-CH2 4.28Å; L688-W692 HydrophobicContact CD1-CZ2 3.62Å; L688-W692 HydrophobicContact CD2-CE3 4.38Å; L688-W692 HydrophobicContact CD2-CH2 3.62Å; L688-W692 HydrophobicContact CD2-CZ2 3.85Å; L688-W692 HydrophobicContact CD2-CZ3 3.91Å; L688-W692 HydrophobicContact CG-CD2 4Å; L688-W692 HydrophobicContact CG-CE3 4.19Å; L688-W692 HydrophobicContact CG-CH2 4.03Å; L688-W692 HydrophobicContact CG-CZ2 3.83Å; L688-W692 HydrophobicContact CG-CZ3 4.2Å; L688-W692 PolarHBondContact O-N 2.96Å; A689-W692 PolarHBondContact O-N 2.92Å; W692-K695 CarbonylContact O-C 3.51Å; W692-K695 PolarHBondContact O-N 3Å; W692-G696 PolarHBondContact O-N 3.14Å; W692-G696 VanDerWaalsContact O-N 3.15Å; W692-F697 HydrophobicContact CB-CB 4.02Å; W692-F697 HydrophobicContact CG-CB 4.25Å; W692-F697 PolarHBondContact O-N 3.41Å; W692-L698 HydrophobicContact CB-CB 3.96Å; W692-P705 HydrophobicContact CZ3-CG 4.46Å |
| 693 | S | 92.9 | Very high | 94 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.3 | -43.8 | -180 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | A689 V690 K695 G696 T727 | A689-S693 WeakPolarHBondContact O-CB 3.24Å; A689-S693 PolarHBondContact O-N 2.95Å; A689-S693 PolarHBondContact O-OG 2.97Å; V690-S693 PolarHBondContact O-OG 3.11Å; S693-K695 PolarHBondContact O-N 3.05Å; S693-G696 PolarHBondContact O-N 2.97Å; S693-G696 VanDerWaalsContact O-N 3.08Å; S693-T727 WeakPolarHBondContact CB-OG1 3.01Å; S693-T727 VanDerWaalsContact OG-CG2 3.3Å; S693-T727 WeakPolarHBondContact OG-CG2 3.49Å; S693-T727 PolarHBondContact OG-OG1 2.64Å |
| 694 | K | 88.1 | Confident | 94.2 | Very high | 109 Ų | 109 | 22.2 Ų | 22.2 | 47% | 0.474 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -18.6 | 171 | -77.9 | 172.1 | -175.5 | 170.1 | 0 | 114.7 | V690 E691 | V690-K694 HydrophobicContact CG1-CD 4.12Å; V690-K694 WeakPolarHBondContact O-CB 3.22Å; V690-K694 WeakPolarHBondContact O-CD 3.25Å; V690-K694 WeakPolarHBondContact O-CG 3.45Å; V690-K694 PolarHBondContact O-N 2.72Å; E691-K694 IonicContact OE1-NZ 3.53Å; E691-K694 PolarHBondContact OE1-NZ 3.32Å; E691-K694 IonicContact OE2-NZ 3.68Å |
| 695 | K | 90.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 22.2 Ų | 22.2 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 7.6 | -175.6 | -57 | -64.4 | 165.4 | 176.8 | 0 | 113 | K78 K176 G177 F178 L599 E691 W692 S693 F697 | K78-K695 HydrophobicContact CD-CD 4.25Å; K176-K695 WeakPolarHBondContact CD-O 3.47Å; K176-K695 WeakPolarHBondContact O-CD 3.16Å; G177-K695 PolarHBondContact O-NZ 3.29Å; F178-K695 HydrophobicContact CE2-CD 4.19Å; L599-K695 HydrophobicContact CD2-CB 3.88Å; L599-K695 HydrophobicContact CD2-CG 4.31Å; E691-K695 WeakPolarHBondContact O-CG 3.4Å; W692-K695 CarbonylContact O-C 3.51Å; W692-K695 PolarHBondContact O-N 3Å; S693-K695 PolarHBondContact O-N 3.05Å; K695-F697 HydrophobicContact CB-CD2 4.14Å; K695-F697 VanDerWaalsContact O-CD2 3.28Å; K695-F697 WeakPolarHBondContact O-CD2 3.43Å |
| 696 | G | 91.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 36 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K176 Q621 W692 S693 V702 | K176-G696 PolarHBondContact NZ-O 2.68Å; Q621-G696 PolarHBondContact NE2-O 3.25Å; W692-G696 PolarHBondContact O-N 3.14Å; W692-G696 VanDerWaalsContact O-N 3.15Å; S693-G696 PolarHBondContact O-N 2.97Å; S693-G696 VanDerWaalsContact O-N 3.08Å; G696-V702 VanDerWaalsContact O-CG1 3.25Å; G696-V702 WeakPolarHBondContact O-CG1 3.25Å |
| 697 | F | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -114.9 | 9.2 | 173 | -79.2 | -89.7 | 0 | 0 | 0 | 112.7 | L80 K176 K597 L599 R619 Q621 W692 K695 | L80-F697 HydrophobicContact CD1-CE2 4.15Å; L80-F697 HydrophobicContact CD1-CZ 4.11Å; K176-F697 HydrophobicContact CD-CD2 4.23Å; K176-F697 HydrophobicContact CD-CE2 3.73Å; K176-F697 HydrophobicContact CD-CZ 4.49Å; K176-F697 HydrophobicContact CG-CE2 4.42Å; K597-F697 HydrophobicContact CB-CE1 4.38Å; K597-F697 HydrophobicContact CB-CZ 3.96Å; L599-F697 HydrophobicContact CB-CD1 4.28Å; L599-F697 HydrophobicContact CB-CD2 3.9Å; L599-F697 HydrophobicContact CB-CE1 3.98Å; L599-F697 HydrophobicContact CB-CE2 3.57Å; L599-F697 HydrophobicContact CB-CG 4.23Å; L599-F697 HydrophobicContact CB-CZ 3.61Å; L599-F697 HydrophobicContact CD2-CB 4.22Å; L599-F697 HydrophobicContact CD2-CD2 3.48Å; L599-F697 VanDerWaalsContact CD2-CD2 3.48Å; L599-F697 HydrophobicContact CD2-CE2 3.94Å; L599-F697 HydrophobicContact CD2-CG 3.91Å; L599-F697 HydrophobicContact CG-CD2 4.29Å; L599-F697 HydrophobicContact CG-CE2 4.29Å; R619-F697 HydrophobicContact CB-CB 4.36Å; R619-F697 HydrophobicContact CB-CD1 3.84Å; R619-F697 HydrophobicContact CB-CG 4.38Å; R619-F697 HydrophobicContact CG-CB 4.1Å; R619-F697 HydrophobicContact CG-CD1 3.61Å; R619-F697 HydrophobicContact CG-CG 4.28Å; Q621-F697 HydrophobicContact CB-CE1 4.2Å; Q621-F697 VanDerWaalsContact CD-CE1 3.43Å; Q621-F697 HydrophobicContact CG-CD1 3.76Å; Q621-F697 HydrophobicContact CG-CE1 3.68Å; Q621-F697 VanDerWaalsContact NE2-CD1 3.25Å; W692-F697 HydrophobicContact CB-CB 4.02Å; W692-F697 HydrophobicContact CG-CB 4.25Å; W692-F697 PolarHBondContact O-N 3.41Å; K695-F697 HydrophobicContact CB-CD2 4.14Å; K695-F697 VanDerWaalsContact O-CD2 3.28Å; K695-F697 WeakPolarHBondContact O-CD2 3.43Å |
| 698 | L | 95.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -148.4 | 129.7 | 168.5 | 173.4 | 62.7 | 0 | 0 | 0 | 108.3 | A689 W692 D703 P705 I719 Y723 C737 | A689-L698 HydrophobicContact CB-CD2 3.87Å; W692-L698 HydrophobicContact CB-CB 3.96Å; L698-D703 CarbonylContact C-O 3.54Å; L698-D703 WeakPolarHBondContact CA-O 3.3Å; L698-P705 VanDerWaalsContact CD1-CD 3.45Å; L698-P705 HydrophobicContact CD1-CG 3.8Å; L698-I719 HydrophobicContact CD1-CG2 3.92Å; L698-I719 HydrophobicContact CD2-CG2 3.79Å; L698-Y723 HydrophobicContact CD2-CD2 3.78Å; L698-Y723 HydrophobicContact CD2-CG 4.36Å; L698-Y723 HydrophobicContact CG-CD2 3.75Å; L698-Y723 HydrophobicContact CG-CE2 4.2Å; L698-Y723 HydrophobicContact CG-CG 4.46Å; L698-C737 HydrophobicContact CD1-CB 4.05Å; L698-C737 VanDerWaalsContact CD1-O 3.3Å; L698-C737 WeakPolarHBondContact CD1-O 3.29Å |
| 699 | G | 95 | Very high | 93 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | 161.5 | 149 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G701 V702 D703 | G699-G701 VanDerWaalsContact C-N 3.34Å; G699-G701 PolarHBondContact O-N 3.01Å; G699-V702 PolarHBondContact O-N 3.48Å; G699-D703 PolarHBondContact N-O 2.93Å; G699-D703 CarbonylContact O-C 3.55Å; G699-D703 PolarHBondContact O-N 2.78Å |
| 700 | P | 95.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -43.7 | -171.3 | -29.6 | 36.5 | 0 | 0 | 0 | 115.4 | P628 V704 Y723 E731 D733 A736 C737 W927 | P628-P700 WeakPolarHBondContact CG-O 3.32Å; P700-V704 WeakPolarHBondContact O-CG2 3.48Å; P700-Y723 WeakPolarHBondContact CD-OH 3.44Å; P700-Y723 HydrophobicContact CG-CE1 4.31Å; P700-E731 WeakPolarHBondContact CD-OE1 3.46Å; P700-E731 WeakPolarHBondContact CD-OE2 3.33Å; P700-E731 HydrophobicContact CG-CG 4.46Å; P700-E731 WeakPolarHBondContact CG-OE1 3.5Å; P700-D733 HydrophobicContact CB-CB 4.32Å; P700-D733 HydrophobicContact CG-CB 4.45Å; P700-D733 WeakPolarHBondContact CG-O 3.41Å; P700-A736 HydrophobicContact CB-CB 4.15Å; P700-A736 HydrophobicContact CG-CB 4.49Å; P700-C737 HydrophobicContact CG-CB 4.1Å; P700-W927 PolarHBondContact O-NE1 3.11Å; P700-W927 VanDerWaalsContact O-NE1 3.15Å |
| 701 | G | 94.7 | Very high | 92.5 | Very high | 43 Ų | 43 | 24.9 Ų | 24.9 | 44% | 0.443 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 2.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G699 | G699-G701 VanDerWaalsContact C-N 3.34Å; G699-G701 PolarHBondContact O-N 3.01Å |
| 702 | V | 94 | Very high | 92.4 | Very high | 64 Ų | 64 | 25.5 Ų | 25.5 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -61.7 | -169.4 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | P628 C629 G696 G699 | P628-V702 WeakPolarHBondContact CA-O 3.29Å; C629-V702 PolarHBondContact N-O 2.87Å; G696-V702 VanDerWaalsContact O-CG1 3.25Å; G696-V702 WeakPolarHBondContact O-CG1 3.25Å; G699-V702 PolarHBondContact O-N 3.48Å |
| 703 | D | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 121.4 | -176.7 | -170.4 | -3.4 | 0 | 0 | 0 | 109 | R619 Q621 C629 S665 L698 G699 | R619-D703 IonicContact CZ-OD1 2.69Å; R619-D703 IonicContact CZ-OD2 3.67Å; R619-D703 IonicContact NE-OD1 2.72Å; R619-D703 IonicContact NE-OD2 3.21Å; R619-D703 PolarHBondContact NE-OD2 3.38Å; R619-D703 VanDerWaalsContact NE-OD2 3.1Å; R619-D703 IonicContact NH2-OD1 3.57Å; R619-D703 PolarHBondContact NH2-OD1 3.25Å; R619-D703 IonicContact NH2-OD2 2.96Å; Q621-D703 WeakPolarHBondContact CG-OD2 3.46Å; Q621-D703 VanDerWaalsContact NE2-CB 3.31Å; Q621-D703 PolarHBondContact NE2-OD2 3.27Å; C629-D703 HydrophobicContact CB-CB 4.18Å; C629-D703 WeakPolarHBondContact O-CA 3.43Å; S665-D703 WeakPolarHBondContact CB-OD1 3.42Å; S665-D703 PolarHBondContact OG-OD1 3.44Å; L698-D703 CarbonylContact C-O 3.54Å; L698-D703 WeakPolarHBondContact CA-O 3.3Å; G699-D703 PolarHBondContact N-O 2.93Å; G699-D703 CarbonylContact O-C 3.55Å; G699-D703 PolarHBondContact O-N 2.78Å |
| 704 | V | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 105 | -167.5 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | P628 C629 K630 P700 A736 C737 T739 | P628-V704 HydrophobicContact CB-CG2 3.78Å; P628-V704 HydrophobicContact CG-CG2 3.83Å; C629-V704 PolarHBondContact O-N 2.97Å; K630-V704 HydrophobicContact CD-CB 3.93Å; K630-V704 HydrophobicContact CD-CG1 4.03Å; K630-V704 WeakPolarHBondContact CD-O 3.24Å; K630-V704 PolarHBondContact NZ-O 2.89Å; P700-V704 WeakPolarHBondContact O-CG2 3.48Å; V704-A736 WeakPolarHBondContact CG1-O 3.26Å; V704-A736 WeakPolarHBondContact CG2-O 3.35Å; V704-C737 WeakPolarHBondContact CA-O 3.46Å; V704-T739 HydrophobicContact CG1-CG2 3.81Å |
| 705 | P | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 177.7 | -176.8 | -20.3 | 33.7 | 0 | 0 | 0 | 115.2 | K630 G631 I633 W692 L698 C737 V738 T739 | K630-P705 PolarHBondContact NZ-O 3.18Å; G631-P705 CarbonylContact O-C 3.59Å; G631-P705 VanDerWaalsContact O-CA 3.22Å; G631-P705 WeakPolarHBondContact O-CA 3.28Å; I633-P705 HydrophobicContact CD1-CB 3.62Å; I633-P705 HydrophobicContact CD1-CG 4.28Å; I633-P705 HydrophobicContact CG1-CB 3.81Å; W692-P705 HydrophobicContact CZ3-CG 4.46Å; L698-P705 VanDerWaalsContact CD1-CD 3.45Å; L698-P705 HydrophobicContact CD1-CG 3.8Å; P705-C737 WeakPolarHBondContact CD-O 3.27Å; P705-V738 HydrophobicContact CB-CG2 4.07Å; P705-T739 PolarHBondContact O-N 3.14Å; P705-T739 PolarHBondContact O-OG1 3.37Å |
| 706 | A | 94.1 | Very high | 93 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 171 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | G631 G632 I633 T739 | G631-A706 PolarHBondContact O-N 3.34Å; G632-A706 CarbonylContact C-O 3.28Å; G632-A706 VanDerWaalsContact CA-O 3.22Å; G632-A706 WeakPolarHBondContact CA-O 3.36Å; I633-A706 PolarHBondContact N-O 2.82Å; A706-T739 WeakPolarHBondContact CA-O 3.04Å |
| 707 | P | 90.5 | Very high | 93.2 | Very high | 37 Ų | 37 | 28 Ų | 28 | 24% | 0.24 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 154.6 | 167.6 | -24 | 35.3 | 0 | 0 | 0 | 112.8 | T711 M716 T739 | P707-T711 WeakPolarHBondContact CA-OG1 3.1Å; P707-M716 HydrophobicContact CG-CE 4.33Å; P707-M716 HydrophobicContact CG-CG 3.71Å; P707-M716 HydrophobicContact CG-SD 4.2Å; P707-T739 WeakPolarHBondContact CD-O 3.44Å |
| 708 | D | 87.5 | Confident | 93.3 | Very high | 40 Ų | 40 | 29.3 Ų | 29.3 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | trans | -148.3 | -161.1 | 164.5 | -154.3 | -101.2 | 0 | 0 | 0 | 108.8 | I633 R634 K666 G710 T711 | I633-D708 WeakPolarHBondContact O-CB 3.07Å; I633-D708 PolarHBondContact O-N 3.4Å; R634-D708 HydrophobicContact CB-CB 4.33Å; R634-D708 IonicContact CZ-OD1 3.58Å; R634-D708 IonicContact NE-OD1 3.48Å; R634-D708 PolarHBondContact NE-OD1 2.96Å; R634-D708 IonicContact NH2-OD1 2.78Å; R634-D708 PolarHBondContact NH2-OD1 3.19Å; K666-D708 IonicContact NZ-OD1 3.72Å; K666-D708 PolarHBondContact NZ-OD1 3.37Å; K666-D708 VanDerWaalsContact NZ-OD1 3.17Å; K666-D708 IonicContact NZ-OD2 3.69Å; K666-D708 PolarHBondContact NZ-OD2 2.64Å; D708-G710 PolarHBondContact O-N 3.43Å; D708-T711 PolarHBondContact N-OG1 2.9Å; D708-T711 PolarHBondContact O-N 2.94Å; D708-T711 VanDerWaalsContact O-N 3.16Å; D708-T711 VanDerWaalsContact O-O 3.12Å; D708-T711 PolarHBondContact O-OG1 3.41Å | ||
| 709 | M | 82.4 | Confident | 93.4 | Very high | 96 Ų | 96 | 29.2 Ų | 29.2 | 47% | 0.473 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 125.1 | 175.5 | -172 | -174.9 | -60.3 | 0 | 0 | 110.9 | R634 Y635 | R634-M709 CarbonylContact C-O 3.51Å; R634-M709 WeakPolarHBondContact CA-O 3.44Å; R634-M709 HydrophobicContact CG-CB 4.29Å; Y635-M709 PolarHBondContact N-O 3.23Å |
| 710 | G | 85.4 | Confident | 93.4 | Very high | 37 Ų | 37 | 29.2 Ų | 29.2 | 38% | 0.381 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 1.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D708 | D708-G710 PolarHBondContact O-N 3.43Š|
| 711 | T | 90.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | trans | -131.1 | 156.3 | 173.7 | 62.3 | 0 | 0 | 0 | 0 | 112 | I633 Y635 P707 D708 E715 | I633-T711 HydrophobicContact CB-CG2 4.39Å; I633-T711 HydrophobicContact CG2-CG2 4.19Å; I633-T711 WeakPolarHBondContact O-CG2 3.46Å; I633-T711 PolarHBondContact O-OG1 2.71Å; Y635-T711 HydrophobicContact CD1-CG2 3.56Å; Y635-T711 HydrophobicContact CD2-CG2 3.72Å; Y635-T711 HydrophobicContact CE1-CG2 3.74Å; Y635-T711 HydrophobicContact CE2-CG2 3.92Å; Y635-T711 HydrophobicContact CG-CG2 3.56Å; P707-T711 WeakPolarHBondContact CA-OG1 3.1Å; D708-T711 PolarHBondContact N-OG1 2.9Å; D708-T711 PolarHBondContact O-N 2.94Å; D708-T711 VanDerWaalsContact O-N 3.16Å; D708-T711 VanDerWaalsContact O-O 3.12Å; D708-T711 PolarHBondContact O-OG1 3.41Å; T711-E715 HydrophobicContact CG2-CB 4.36Å; T711-E715 HydrophobicContact CG2-CG 4.31Å | ||
| 712 | G | 89.4 | Confident | 93.6 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 24% | 0.237 | 17% | 0.167 | C | C | . | . | trans | -149.7 | -157 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K714 E715 M716 | G712-K714 VanDerWaalsContact C-N 3.29Å; G712-K714 PolarHBondContact O-N 2.88Å; G712-E715 WeakPolarHBondContact CA-OE2 3.48Å; G712-E715 PolarHBondContact N-OE2 3.08Å; G712-E715 PolarHBondContact O-N 3.3Å; G712-M716 WeakPolarHBondContact O-CG 3.22Å; G712-M716 PolarHBondContact O-N 2.85Å | ||
| 713 | E | 92.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 27.1 Ų | 27.1 | 40% | 0.397 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.5 | -33.7 | -174.1 | -58.9 | -176.2 | -175 | 0 | 0 | 113.3 | E715 M716 A717 G740 P742 | E713-E715 PolarHBondContact O-N 3.31Å; E713-M716 PolarHBondContact O-N 2.95Å; E713-A717 WeakPolarHBondContact O-CB 3Å; E713-A717 PolarHBondContact O-N 2.98Å; E713-G740 WeakPolarHBondContact CA-O 3.49Å; E713-P742 HydrophobicContact CB-CG 3.95Å; E713-P742 WeakPolarHBondContact O-CD 3.47Å; E713-P742 WeakPolarHBondContact OE2-CA 3.31Å |
| 714 | K | 94.2 | Very high | 93.6 | Very high | 103 Ų | 103 | 27.7 Ų | 27.7 | 45% | 0.448 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 177.9 | -54.4 | 173 | -70.3 | 136.2 | 0 | 111.2 | L678 G712 M716 A717 W718 | L678-K714 HydrophobicContact CD1-CD 4.29Å; G712-K714 VanDerWaalsContact C-N 3.29Å; G712-K714 PolarHBondContact O-N 2.88Å; K714-M716 VanDerWaalsContact C-N 3.32Å; K714-M716 PolarHBondContact O-N 3.34Å; K714-A717 WeakPolarHBondContact O-CB 3.24Å; K714-A717 PolarHBondContact O-N 3.39Å; K714-W718 HydrophobicContact CB-CH2 4.48Å; K714-W718 HydrophobicContact CB-CZ2 4.49Å; K714-W718 PolarHBondContact O-N 2.86Å |
| 715 | E | 95.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.8 | -34.8 | -177.7 | -64.3 | 68.4 | -147.4 | 0 | 0 | 110.4 | Y635 T685 T711 G712 E713 W718 I719 | Y635-E715 HydrophobicContact CE2-CG 4.45Å; T685-E715 HydrophobicContact CG2-CB 4.22Å; T685-E715 WeakPolarHBondContact CG2-O 3.39Å; T711-E715 HydrophobicContact CG2-CB 4.36Å; T711-E715 HydrophobicContact CG2-CG 4.31Å; G712-E715 WeakPolarHBondContact CA-OE2 3.48Å; G712-E715 PolarHBondContact N-OE2 3.08Å; G712-E715 PolarHBondContact O-N 3.3Å; E713-E715 PolarHBondContact O-N 3.31Å; E715-W718 HydrophobicContact CB-CE3 4.33Å; E715-W718 HydrophobicContact CG-CE3 4Å; E715-W718 HydrophobicContact CG-CZ3 3.85Å; E715-I719 WeakPolarHBondContact O-CD1 3.14Å; E715-I719 VanDerWaalsContact O-CG1 3.28Å; E715-I719 WeakPolarHBondContact O-CG1 3.35Å; E715-I719 PolarHBondContact O-N 3.08Å; E715-I719 VanDerWaalsContact O-N 3.15Å |
| 716 | M | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.9 | -37.6 | 172 | -56.3 | -51.4 | 109.5 | 0 | 0 | 112.4 | I633 P707 G712 E713 K714 I719 A720 V738 T739 G740 K741 | I633-M716 HydrophobicContact CD1-CE 4.22Å; P707-M716 HydrophobicContact CG-CE 4.33Å; P707-M716 HydrophobicContact CG-CG 3.71Å; P707-M716 HydrophobicContact CG-SD 4.2Å; G712-M716 WeakPolarHBondContact O-CG 3.22Å; G712-M716 PolarHBondContact O-N 2.85Å; E713-M716 PolarHBondContact O-N 2.95Å; K714-M716 VanDerWaalsContact C-N 3.32Å; K714-M716 PolarHBondContact O-N 3.34Å; M716-I719 HydrophobicContact CE-CD1 4.27Å; M716-I719 PolarHBondContact O-N 2.91Å; M716-I719 HydrophobicContact SD-CD1 4.39Å; M716-A720 WeakPolarHBondContact O-CB 3.3Å; M716-A720 PolarHBondContact O-N 3.5Å; M716-V738 HydrophobicContact CB-CG2 4.02Å; M716-V738 HydrophobicContact CG-CG2 4.14Å; M716-V738 WeakPolarHBondContact O-CG1 3.4Å; M716-V738 HydrophobicContact SD-CG2 3.41Å; M716-V738 WeakPolarHBondContact SD-CG2 3.01Å; M716-T739 WeakPolarHBondContact CG-O 3.37Å; M716-G740 WeakPolarHBondContact CB-O 3.26Å; M716-G740 WeakPolarHBondContact CG-O 3.44Å; M716-K741 HydrophobicContact CB-CG 4.38Å |
| 717 | A | 96.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E713 K714 I719 A720 D721 P742 M745 | E713-A717 WeakPolarHBondContact O-CB 3Å; E713-A717 PolarHBondContact O-N 2.98Å; K714-A717 WeakPolarHBondContact O-CB 3.24Å; K714-A717 PolarHBondContact O-N 3.39Å; A717-I719 VanDerWaalsContact C-N 3.3Å; A717-I719 PolarHBondContact O-N 2.98Å; A717-A720 PolarHBondContact O-N 3.09Å; A717-D721 VanDerWaalsContact O-CB 3.31Å; A717-D721 WeakPolarHBondContact O-CB 3.37Å; A717-D721 PolarHBondContact O-N 3.43Å; A717-P742 HydrophobicContact CB-CG 3.98Å; A717-M745 HydrophobicContact CB-SD 3.66Å |
| 718 | W | 97.4 | Very high | 92.9 | Very high | 28 Ų | 28 | 38 Ų | 38 | 11% | 0.106 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -35.6 | 175.8 | -64.6 | -35.4 | 0 | 0 | 0 | 112.8 | L678 L681 E682 T685 R686 K714 E715 T722 | L678-W718 HydrophobicContact CD1-CH2 3.77Å; L678-W718 HydrophobicContact CD1-CZ2 4.16Å; L678-W718 HydrophobicContact CG-CH2 4.21Å; L678-W718 HydrophobicContact CG-CZ2 4.29Å; L681-W718 HydrophobicContact CB-CH2 4.34Å; L681-W718 HydrophobicContact CB-CZ3 4.14Å; E682-W718 HydrophobicContact CB-CD2 4.03Å; E682-W718 HydrophobicContact CB-CE3 4.25Å; E682-W718 HydrophobicContact CB-CH2 3.94Å; E682-W718 HydrophobicContact CB-CZ2 3.68Å; E682-W718 HydrophobicContact CB-CZ3 4.23Å; E682-W718 HydrophobicContact CG-CD2 3.88Å; E682-W718 HydrophobicContact CG-CG 4.01Å; E682-W718 HydrophobicContact CG-CZ2 4.14Å; E682-W718 PolarHBondContact OE1-NE1 2.66Å; T685-W718 HydrophobicContact CG2-CB 3.87Å; T685-W718 HydrophobicContact CG2-CE3 4.04Å; R686-W718 HydrophobicContact CG-CB 4.23Å; K714-W718 HydrophobicContact CB-CH2 4.48Å; K714-W718 HydrophobicContact CB-CZ2 4.49Å; K714-W718 PolarHBondContact O-N 2.86Å; E715-W718 HydrophobicContact CB-CE3 4.33Å; E715-W718 HydrophobicContact CG-CE3 4Å; E715-W718 HydrophobicContact CG-CZ3 3.85Å; W718-T722 WeakPolarHBondContact O-CB 3.15Å; W718-T722 PolarHBondContact O-N 3.23Å; W718-T722 VanDerWaalsContact O-N 3.09Å; W718-T722 PolarHBondContact O-OG1 3.02Å |
| 719 | I | 97.1 | Very high | 93 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.1 | -48.9 | 174.4 | -68.1 | 165.8 | 0 | 0 | 0 | 110.9 | I633 T685 A689 L698 E715 M716 A717 T722 Y723 V738 | I633-I719 HydrophobicContact CD1-CD1 3.3Å; T685-I719 HydrophobicContact CG2-CD1 4.16Å; T685-I719 HydrophobicContact CG2-CG1 3.7Å; A689-I719 HydrophobicContact CB-CG1 4.3Å; A689-I719 HydrophobicContact CB-CG2 4.31Å; L698-I719 HydrophobicContact CD1-CG2 3.92Å; L698-I719 HydrophobicContact CD2-CG2 3.79Å; E715-I719 WeakPolarHBondContact O-CD1 3.14Å; E715-I719 VanDerWaalsContact O-CG1 3.28Å; E715-I719 WeakPolarHBondContact O-CG1 3.35Å; E715-I719 PolarHBondContact O-N 3.08Å; E715-I719 VanDerWaalsContact O-N 3.15Å; M716-I719 HydrophobicContact CE-CD1 4.27Å; M716-I719 PolarHBondContact O-N 2.91Å; M716-I719 HydrophobicContact SD-CD1 4.39Å; A717-I719 VanDerWaalsContact C-N 3.3Å; A717-I719 PolarHBondContact O-N 2.98Å; I719-T722 PolarHBondContact O-N 3.3Å; I719-Y723 WeakPolarHBondContact O-CB 3.39Å; I719-Y723 PolarHBondContact O-N 2.98Å; I719-V738 HydrophobicContact CB-CG1 4.33Å; I719-V738 HydrophobicContact CB-CG2 4.49Å; I719-V738 HydrophobicContact CG2-CB 3.99Å; I719-V738 HydrophobicContact CG2-CG1 4.07Å; I719-V738 HydrophobicContact CG2-CG2 4.2Å |
| 720 | A | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -51.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M716 A717 Y723 A724 Y735 V738 K741 | M716-A720 WeakPolarHBondContact O-CB 3.3Å; M716-A720 PolarHBondContact O-N 3.5Å; A717-A720 PolarHBondContact O-N 3.09Å; A720-Y723 PolarHBondContact O-N 3.45Å; A720-A724 WeakPolarHBondContact O-CB 3.32Å; A720-A724 PolarHBondContact O-N 2.98Å; A720-Y735 HydrophobicContact CB-CD1 4.05Å; A720-Y735 HydrophobicContact CB-CE1 4.44Å; A720-V738 HydrophobicContact CB-CG1 3.64Å; A720-K741 HydrophobicContact CB-CD 3.94Å |
| 721 | D | 96.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 20% | 0.198 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 177.5 | 177.3 | 51.4 | 0 | 0 | 0 | 111.4 | R686 A717 Y723 A724 M725 | R686-D721 IonicContact CZ-OD2 3.36Å; R686-D721 IonicContact NH1-OD2 3.24Å; R686-D721 PolarHBondContact NH1-OD2 3.1Å; R686-D721 IonicContact NH2-OD2 3.63Å; R686-D721 PolarHBondContact NH2-OD2 2.78Å; A717-D721 VanDerWaalsContact O-CB 3.31Å; A717-D721 WeakPolarHBondContact O-CB 3.37Å; A717-D721 PolarHBondContact O-N 3.43Å; D721-Y723 PolarHBondContact O-N 3.43Å; D721-A724 PolarHBondContact O-N 2.9Å; D721-M725 VanDerWaalsContact O-CB 3.3Å; D721-M725 WeakPolarHBondContact O-CB 3.3Å; D721-M725 WeakPolarHBondContact O-CG 3.41Å; D721-M725 PolarHBondContact O-N 2.6Å |
| 722 | T | 96.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 179.9 | -53.9 | 0 | 0 | 0 | 0 | 112.6 | R686 A689 V690 W718 I719 T726 | R686-T722 HydrophobicContact CB-CG2 4.27Å; R686-T722 VanDerWaalsContact CG-OG1 3.25Å; R686-T722 WeakPolarHBondContact CG-OG1 3.42Å; R686-T722 PolarHBondContact NH1-OG1 3.41Å; A689-T722 HydrophobicContact CB-CG2 4.27Å; V690-T722 HydrophobicContact CG2-CG2 3.57Å; W718-T722 WeakPolarHBondContact O-CB 3.15Å; W718-T722 PolarHBondContact O-N 3.23Å; W718-T722 VanDerWaalsContact O-N 3.09Å; W718-T722 PolarHBondContact O-OG1 3.02Å; I719-T722 PolarHBondContact O-N 3.3Å; T722-T726 WeakPolarHBondContact O-CB 3.33Å; T722-T726 WeakPolarHBondContact O-CG2 3.39Å; T722-T726 PolarHBondContact O-N 3.33Å; T722-T726 PolarHBondContact O-OG1 3.49Å |
| 723 | Y | 96.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -51.2 | 176.5 | -175.9 | -94.4 | 0 | 0 | 0 | 110.8 | L698 P700 I719 A720 D721 M725 T726 T727 G728 E731 A734 C737 | L698-Y723 HydrophobicContact CD2-CD2 3.78Å; L698-Y723 HydrophobicContact CD2-CG 4.36Å; L698-Y723 HydrophobicContact CG-CD2 3.75Å; L698-Y723 HydrophobicContact CG-CE2 4.2Å; L698-Y723 HydrophobicContact CG-CG 4.46Å; P700-Y723 WeakPolarHBondContact CD-OH 3.44Å; P700-Y723 HydrophobicContact CG-CE1 4.31Å; I719-Y723 WeakPolarHBondContact O-CB 3.39Å; I719-Y723 PolarHBondContact O-N 2.98Å; A720-Y723 PolarHBondContact O-N 3.45Å; D721-Y723 PolarHBondContact O-N 3.43Å; Y723-M725 VanDerWaalsContact C-N 3.34Å; Y723-M725 PolarHBondContact O-N 2.94Å; Y723-T726 CarbonylContact O-C 3.57Å; Y723-T726 PolarHBondContact O-N 3.29Å; Y723-T726 VanDerWaalsContact O-N 3.14Å; Y723-T727 WeakPolarHBondContact CD2-OG1 3.43Å; Y723-T727 WeakPolarHBondContact CE2-OG1 3.22Å; Y723-T727 PolarHBondContact O-N 3Å; Y723-G728 WeakPolarHBondContact O-CA 3.37Å; Y723-G728 PolarHBondContact O-N 3.49Å; Y723-E731 VanDerWaalsContact CE1-OE2 3.27Å; Y723-E731 WeakPolarHBondContact CE1-OE2 3.41Å; Y723-E731 PolarHBondContact OH-OE2 3.01Å; Y723-A734 HydrophobicContact CD1-CB 4.06Å; Y723-A734 HydrophobicContact CE1-CB 4.15Å; Y723-C737 HydrophobicContact CD1-CB 3.59Å; Y723-C737 HydrophobicContact CD2-CB 4.4Å; Y723-C737 HydrophobicContact CE1-CB 3.87Å; Y723-C737 HydrophobicContact CG-CB 3.89Å |
| 724 | A | 94.4 | Very high | 94 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | A720 D721 T726 S729 A734 Y735 | A720-A724 WeakPolarHBondContact O-CB 3.32Å; A720-A724 PolarHBondContact O-N 2.98Å; D721-A724 PolarHBondContact O-N 2.9Å; A724-T726 VanDerWaalsContact C-N 3.31Å; A724-T726 PolarHBondContact O-N 2.64Å; A724-S729 WeakPolarHBondContact O-CA 3.3Å; A724-S729 WeakPolarHBondContact O-CB 3.02Å; A724-S729 PolarHBondContact O-N 2.87Å; A724-A734 HydrophobicContact CB-CB 3.96Å; A724-Y735 HydrophobicContact CB-CE2 4.06Å |
| 725 | M | 94.2 | Very high | 94.1 | Very high | 128 Ų | 128 | 47.4 Ų | 47.4 | 63% | 0.631 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2 | 178.7 | -60.6 | -61 | 170.8 | 0 | 0 | 114.1 | D721 Y723 | D721-M725 VanDerWaalsContact O-CB 3.3Å; D721-M725 WeakPolarHBondContact O-CB 3.3Å; D721-M725 WeakPolarHBondContact O-CG 3.41Å; D721-M725 PolarHBondContact O-N 2.6Å; Y723-M725 VanDerWaalsContact C-N 3.34Å; Y723-M725 PolarHBondContact O-N 2.94Å |
| 726 | T | 92.7 | Very high | 94.1 | Very high | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | -99.6 | 178.2 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | T722 Y723 A724 G728 S729 | T722-T726 WeakPolarHBondContact O-CB 3.33Å; T722-T726 WeakPolarHBondContact O-CG2 3.39Å; T722-T726 PolarHBondContact O-N 3.33Å; T722-T726 PolarHBondContact O-OG1 3.49Å; Y723-T726 CarbonylContact O-C 3.57Å; Y723-T726 PolarHBondContact O-N 3.29Å; Y723-T726 VanDerWaalsContact O-N 3.14Å; A724-T726 VanDerWaalsContact C-N 3.31Å; A724-T726 PolarHBondContact O-N 2.64Å; T726-G728 VanDerWaalsContact C-N 3.35Å; T726-G728 PolarHBondContact O-N 3.17Å; T726-S729 WeakPolarHBondContact O-CB 3.24Å; T726-S729 PolarHBondContact O-N 3.24Å; T726-S729 PolarHBondContact O-OG 3.25Å |
| 727 | T | 88.8 | Confident | 94.1 | Very high | 72 Ų | 72 | 47 Ų | 47 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28 | -173.5 | 44.9 | 0 | 0 | 0 | 0 | 114.1 | S693 Y723 | S693-T727 WeakPolarHBondContact CB-OG1 3.01Å; S693-T727 VanDerWaalsContact OG-CG2 3.3Å; S693-T727 WeakPolarHBondContact OG-CG2 3.49Å; S693-T727 PolarHBondContact OG-OG1 2.64Å; Y723-T727 WeakPolarHBondContact CD2-OG1 3.43Å; Y723-T727 WeakPolarHBondContact CE2-OG1 3.22Å; Y723-T727 PolarHBondContact O-N 3Å |
| 728 | G | 89.1 | Confident | 94.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 6.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y723 T726 L730 E731 A734 | Y723-G728 WeakPolarHBondContact O-CA 3.37Å; Y723-G728 PolarHBondContact O-N 3.49Å; T726-G728 VanDerWaalsContact C-N 3.35Å; T726-G728 PolarHBondContact O-N 3.17Å; G728-L730 PolarHBondContact O-N 3.21Å; G728-E731 PolarHBondContact O-N 3.31Å; G728-A734 WeakPolarHBondContact O-CB 3.47Å |
| 729 | S | 90.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 56% | 0.559 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.7 | -171.8 | 53 | 0 | 0 | 0 | 0 | 116.1 | A724 T726 | A724-S729 WeakPolarHBondContact O-CA 3.3Å; A724-S729 WeakPolarHBondContact O-CB 3.02Å; A724-S729 PolarHBondContact O-N 2.87Å; T726-S729 WeakPolarHBondContact O-CB 3.24Å; T726-S729 PolarHBondContact O-N 3.24Å; T726-S729 PolarHBondContact O-OG 3.25Å |
| 730 | L | 89.6 | Confident | 93.9 | Very high | 173 Ų | 173 | 45.2 Ų | 45.2 | 91% | 0.906 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 3.1 | 173.9 | -58.5 | 177.4 | 0 | 0 | 0 | 113.1 | G728 | G728-L730 PolarHBondContact O-N 3.21Š|
| 731 | E | 91.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | trans | -98.1 | 116.4 | -176.6 | -174.8 | 173.6 | -156.2 | 0 | 0 | 110.1 | P700 Y723 G728 D733 A734 | P700-E731 WeakPolarHBondContact CD-OE1 3.46Å; P700-E731 WeakPolarHBondContact CD-OE2 3.33Å; P700-E731 HydrophobicContact CG-CG 4.46Å; P700-E731 WeakPolarHBondContact CG-OE1 3.5Å; Y723-E731 VanDerWaalsContact CE1-OE2 3.27Å; Y723-E731 WeakPolarHBondContact CE1-OE2 3.41Å; Y723-E731 PolarHBondContact OH-OE2 3.01Å; G728-E731 PolarHBondContact O-N 3.31Å; E731-D733 PolarHBondContact O-N 3.22Å; E731-A734 HydrophobicContact CB-CB 4.48Å; E731-A734 WeakPolarHBondContact O-CB 3.4Å; E731-A734 PolarHBondContact O-N 2.9Å; E731-A734 VanDerWaalsContact O-N 3.08Å | ||
| 732 | K | 91.6 | Very high | 93.7 | Very high | 145 Ų | 145 | 45.1 Ų | 45.1 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.7 | -176.1 | 84.5 | 170.2 | -174.8 | 60.4 | 0 | 113.3 | H933 | K732-H933 PolarHBondContact O-CE1 3.28Å; K732-H933 VanDerWaalsContact O-CE1 3.29Å |
| 733 | D | 94.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 17.1 | -174 | -65.8 | -48.9 | 0 | 0 | 0 | 112.8 | P700 E731 Y735 A736 L931 H933 | P700-D733 HydrophobicContact CB-CB 4.32Å; P700-D733 HydrophobicContact CG-CB 4.45Å; P700-D733 WeakPolarHBondContact CG-O 3.41Å; E731-D733 PolarHBondContact O-N 3.22Å; D733-Y735 PolarHBondContact O-N 2.79Å; D733-A736 HydrophobicContact CB-CB 4.46Å; D733-A736 WeakPolarHBondContact O-CA 3.41Å; D733-A736 WeakPolarHBondContact O-CB 3.35Å; D733-A736 PolarHBondContact O-N 2.75Å; D733-L931 HydrophobicContact CB-CD2 3.74Å; D733-L931 VanDerWaalsContact CG-CD2 3.48Å; D733-H933 IonicContact OD1-CD2 3.43Å; D733-H933 IonicContact OD1-CE1 3.96Å; D733-H933 IonicContact OD1-NE2 2.65Å; D733-H933 PolarHBondContact OD1-NE2 3.02Å |
| 734 | A | 94.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 5% | 0.05 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -51.8 | -33.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y723 A724 G728 E731 A736 C737 | Y723-A734 HydrophobicContact CD1-CB 4.06Å; Y723-A734 HydrophobicContact CE1-CB 4.15Å; A724-A734 HydrophobicContact CB-CB 3.96Å; G728-A734 WeakPolarHBondContact O-CB 3.47Å; E731-A734 HydrophobicContact CB-CB 4.48Å; E731-A734 WeakPolarHBondContact O-CB 3.4Å; E731-A734 PolarHBondContact O-N 2.9Å; E731-A734 VanDerWaalsContact O-N 3.08Å; A734-A736 VanDerWaalsContact C-N 3.28Å; A734-A736 PolarHBondContact O-N 2.77Å; A734-C737 WeakPolarHBondContact O-CB 3.49Å; A734-C737 PolarHBondContact O-N 2.77Å; A734-C737 VanDerWaalsContact O-N 3.12Å; A734-C737 PolarHBondContact O-SG 3.19Å |
| 735 | Y | 95.2 | Very high | 93 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -70 | -21 | 176.7 | -74.8 | -85.7 | 0 | 0 | 0 | 113.9 | A720 A724 D733 C737 K741 | A720-Y735 HydrophobicContact CB-CD1 4.05Å; A720-Y735 HydrophobicContact CB-CE1 4.44Å; A724-Y735 HydrophobicContact CB-CE2 4.06Å; D733-Y735 PolarHBondContact O-N 2.79Å; Y735-C737 PolarHBondContact O-N 3.2Å; Y735-K741 WeakPolarHBondContact O-CE 3.47Å |
| 736 | A | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -73.5 | 0.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P700 V704 D733 A734 V738 W927 D930 L931 | P700-A736 HydrophobicContact CB-CB 4.15Å; P700-A736 HydrophobicContact CG-CB 4.49Å; V704-A736 WeakPolarHBondContact CG1-O 3.26Å; V704-A736 WeakPolarHBondContact CG2-O 3.35Å; D733-A736 HydrophobicContact CB-CB 4.46Å; D733-A736 WeakPolarHBondContact O-CA 3.41Å; D733-A736 WeakPolarHBondContact O-CB 3.35Å; D733-A736 PolarHBondContact O-N 2.75Å; A734-A736 VanDerWaalsContact C-N 3.28Å; A734-A736 PolarHBondContact O-N 2.77Å; A736-V738 PolarHBondContact O-N 3.2Å; A736-W927 VanDerWaalsContact O-CD1 3.25Å; A736-D930 HydrophobicContact CB-CB 3.57Å; A736-L931 HydrophobicContact CB-CD2 4.16Å |
| 737 | C | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -65.4 | -16.5 | 175.3 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | L698 P700 V704 P705 Y723 A734 Y735 | L698-C737 HydrophobicContact CD1-CB 4.05Å; L698-C737 VanDerWaalsContact CD1-O 3.3Å; L698-C737 WeakPolarHBondContact CD1-O 3.29Å; P700-C737 HydrophobicContact CG-CB 4.1Å; V704-C737 WeakPolarHBondContact CA-O 3.46Å; P705-C737 WeakPolarHBondContact CD-O 3.27Å; Y723-C737 HydrophobicContact CD1-CB 3.59Å; Y723-C737 HydrophobicContact CD2-CB 4.4Å; Y723-C737 HydrophobicContact CE1-CB 3.87Å; Y723-C737 HydrophobicContact CG-CB 3.89Å; A734-C737 WeakPolarHBondContact O-CB 3.49Å; A734-C737 PolarHBondContact O-N 2.77Å; A734-C737 VanDerWaalsContact O-N 3.12Å; A734-C737 PolarHBondContact O-SG 3.19Å; Y735-C737 PolarHBondContact O-N 3.2Å |
| 738 | V | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -151.2 | 150.7 | -178.7 | 66 | 0 | 0 | 0 | 0 | 111 | P705 M716 I719 A720 A736 K741 | P705-V738 HydrophobicContact CB-CG2 4.07Å; M716-V738 HydrophobicContact CB-CG2 4.02Å; M716-V738 HydrophobicContact CG-CG2 4.14Å; M716-V738 WeakPolarHBondContact O-CG1 3.4Å; M716-V738 HydrophobicContact SD-CG2 3.41Å; M716-V738 WeakPolarHBondContact SD-CG2 3.01Å; I719-V738 HydrophobicContact CB-CG1 4.33Å; I719-V738 HydrophobicContact CB-CG2 4.49Å; I719-V738 HydrophobicContact CG2-CB 3.99Å; I719-V738 HydrophobicContact CG2-CG1 4.07Å; I719-V738 HydrophobicContact CG2-CG2 4.2Å; A720-V738 HydrophobicContact CB-CG1 3.64Å; A736-V738 PolarHBondContact O-N 3.2Å; V738-K741 HydrophobicContact CG1-CD 4.08Å; V738-K741 HydrophobicContact CG1-CG 4.08Å; V738-K741 PolarHBondContact O-NZ 3.43Å | ||
| 739 | T | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -123.3 | 166.6 | 178 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | K630 V704 P705 A706 P707 M716 S923 E926 W927 | K630-T739 WeakPolarHBondContact CE-OG1 3.1Å; K630-T739 PolarHBondContact NZ-OG1 3.1Å; V704-T739 HydrophobicContact CG1-CG2 3.81Å; P705-T739 PolarHBondContact O-N 3.14Å; P705-T739 PolarHBondContact O-OG1 3.37Å; A706-T739 WeakPolarHBondContact CA-O 3.04Å; P707-T739 WeakPolarHBondContact CD-O 3.44Å; M716-T739 WeakPolarHBondContact CG-O 3.37Å; T739-S923 WeakPolarHBondContact CG2-O 3.37Å; T739-S923 WeakPolarHBondContact OG1-CB 3.34Å; T739-S923 PolarHBondContact OG1-OG 3.42Å; T739-E926 VanDerWaalsContact CA-OE1 3.23Å; T739-E926 WeakPolarHBondContact CA-OE1 3.48Å; T739-E926 HydrophobicContact CG2-CB 4.37Å; T739-W927 HydrophobicContact CG2-CB 4.11Å |
| 740 | G | 92.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 77.3 | 29 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111 | E713 M716 E926 | E713-G740 WeakPolarHBondContact CA-O 3.49Å; M716-G740 WeakPolarHBondContact CB-O 3.26Å; M716-G740 WeakPolarHBondContact CG-O 3.44Å; G740-E926 PolarHBondContact N-OE1 2.98Å; G740-E926 PolarHBondContact N-OE2 2.66Å |
| 741 | K | 95.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | trans | -73 | 157.8 | 175.1 | -61.5 | -177.5 | -60.1 | -60.3 | 0 | 110 | M716 A720 Y735 V738 M745 G747 E926 D930 | M716-K741 HydrophobicContact CB-CG 4.38Å; A720-K741 HydrophobicContact CB-CD 3.94Å; Y735-K741 WeakPolarHBondContact O-CE 3.47Å; V738-K741 HydrophobicContact CG1-CD 4.08Å; V738-K741 HydrophobicContact CG1-CG 4.08Å; V738-K741 PolarHBondContact O-NZ 3.43Å; K741-M745 WeakPolarHBondContact CD-O 3.5Å; K741-M745 WeakPolarHBondContact CE-O 3.31Å; K741-G747 VanDerWaalsContact O-CA 3.31Å; K741-G747 WeakPolarHBondContact O-CA 3.1Å; K741-E926 PolarHBondContact N-OE1 2.86Å; K741-E926 IonicContact NZ-OE1 3.62Å; K741-E926 PolarHBondContact NZ-OE1 2.98Å; K741-D930 WeakPolarHBondContact CE-OD1 3.39Å; K741-D930 IonicContact NZ-OD1 3.3Å; K741-D930 PolarHBondContact NZ-OD1 2.93Å; K741-D930 IonicContact NZ-OD2 2.81Å; K741-D930 PolarHBondContact NZ-OD2 2.95Å | ||
| 742 | P | 93.7 | Very high | 91.7 | Very high | 31 Ų | 31 | 38 Ų | 38 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | trans | -58.7 | 148.6 | 166 | -15 | 26.7 | 0 | 0 | 0 | 110.2 | E713 A717 A744 M745 G747 | E713-P742 HydrophobicContact CB-CG 3.95Å; E713-P742 WeakPolarHBondContact O-CD 3.47Å; E713-P742 WeakPolarHBondContact OE2-CA 3.31Å; A717-P742 HydrophobicContact CB-CG 3.98Å; P742-A744 PolarHBondContact O-N 2.99Å; P742-A744 VanDerWaalsContact O-N 3.12Å; P742-M745 CarbonylContact O-C 3.53Å; P742-M745 PolarHBondContact O-N 3.42Å; P742-G747 WeakPolarHBondContact O-CA 3.21Å; P742-G747 PolarHBondContact O-N 3.36Å | ||
| 743 | I | 91.4 | Very high | 91.5 | Very high | 88 Ų | 88 | 33 Ų | 33 | 45% | 0.451 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -55.2 | -35.2 | -179.8 | -61.3 | 169.8 | 0 | 0 | 0 | 111.5 | M745 G746 | I743-M745 PolarHBondContact O-N 3.46Å; I743-G746 PolarHBondContact O-N 2.87Å |
| 744 | A | 91.1 | Very high | 91.3 | Very high | 102 Ų | 102 | 31.6 Ų | 31.6 | 84% | 0.843 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -67.1 | -15.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | P742 | P742-A744 PolarHBondContact O-N 2.99Å; P742-A744 VanDerWaalsContact O-N 3.12Å |
| 745 | M | 90.8 | Very high | 91 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -115.8 | 37.8 | 175.8 | -77.3 | -171.1 | 160.5 | 0 | 0 | 111.8 | A717 K741 P742 I743 G747 | A717-M745 HydrophobicContact CB-SD 3.66Å; K741-M745 WeakPolarHBondContact CD-O 3.5Å; K741-M745 WeakPolarHBondContact CE-O 3.31Å; P742-M745 CarbonylContact O-C 3.53Å; P742-M745 PolarHBondContact O-N 3.42Å; I743-M745 PolarHBondContact O-N 3.46Å; M745-G747 VanDerWaalsContact C-N 3.34Å; M745-G747 PolarHBondContact O-N 3.02Å |
| 746 | G | 89.5 | Confident | 90.8 | Very high | 25 Ų | 25 | 28 Ų | 28 | 26% | 0.258 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -7.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I743 K929 | I743-G746 PolarHBondContact O-N 2.87Å; G746-K929 WeakPolarHBondContact O-CE 3.37Å |
| 747 | G | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -51 | 151.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K741 P742 M745 K929 | K741-G747 VanDerWaalsContact O-CA 3.31Å; K741-G747 WeakPolarHBondContact O-CA 3.1Å; P742-G747 WeakPolarHBondContact O-CA 3.21Å; P742-G747 PolarHBondContact O-N 3.36Å; M745-G747 VanDerWaalsContact C-N 3.34Å; M745-G747 PolarHBondContact O-N 3.02Å; G747-K929 PolarHBondContact O-NZ 3.32Å |
| 748 | I | 91.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -102.9 | 140.5 | -174.1 | -157.2 | 168.5 | 0 | 0 | 0 | 112.3 | R751 V922 F925 E926 K929 F936 E987 V991 | I748-R751 HydrophobicContact CG2-CB 3.97Å; I748-R751 WeakPolarHBondContact O-CB 3.32Å; I748-R751 PolarHBondContact O-N 3.41Å; I748-V922 HydrophobicContact CG2-CG1 3.65Å; I748-F925 HydrophobicContact CD1-CB 3.77Å; I748-E926 HydrophobicContact CB-CB 3.98Å; I748-E926 HydrophobicContact CB-CG 4.05Å; I748-E926 HydrophobicContact CG2-CB 3.67Å; I748-E926 HydrophobicContact CG2-CG 4.07Å; I748-K929 HydrophobicContact CB-CD 4.28Å; I748-K929 HydrophobicContact CD1-CD 4.3Å; I748-K929 HydrophobicContact CG1-CD 4.06Å; I748-F936 HydrophobicContact CD1-CD2 4.11Å; I748-F936 HydrophobicContact CD1-CE2 3.88Å; I748-E987 HydrophobicContact CG1-CG 4.09Å; I748-V991 HydrophobicContact CD1-CG2 3.43Å; I748-V991 VanDerWaalsContact CD1-CG2 3.43Å; I748-V991 HydrophobicContact CG1-CG2 3.83Å |
| 749 | H | 87.5 | Confident | 90.3 | Very high | 70 Ų | 70 | 30.5 Ų | 30.5 | 32% | 0.324 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 147.7 | 176.5 | -66.5 | 81.2 | 0 | 0 | 0 | 111.6 | R751 E987 E988 | H749-R751 VanDerWaalsContact C-N 3.25Å; H749-R751 PolarHBondContact O-N 3.12Å; H749-E987 IonicContact CE1-OE2 2.9Å; H749-E987 IonicContact CG-OE2 3.69Å; H749-E987 PolarHBondContact N-OE2 3Å; H749-E987 IonicContact ND1-OE2 3.87Å; H749-E987 PolarHBondContact ND1-OE2 3.37Å; H749-E988 HydrophobicContact CB-CB 3.88Å |
| 750 | G | 82.8 | Confident | 90.3 | Very high | 14 Ų | 14 | 33 Ų | 33 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -1.6 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | T752 Q753 A754 | G750-T752 VanDerWaalsContact C-N 3.32Å; G750-T752 PolarHBondContact O-N 2.94Å; G750-Q753 VanDerWaalsContact O-CG 3.22Å; G750-Q753 WeakPolarHBondContact O-CG 3.48Å; G750-Q753 PolarHBondContact O-N 3.33Å; G750-A754 PolarHBondContact O-N 2.9Å |
| 751 | R | 84.9 | Confident | 90.4 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 17% | 0.17 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.1 | -175.3 | -178.2 | 56.3 | -170.5 | 77.5 | -0.1 | 114.5 | I748 H749 A754 G919 V922 S923 | I748-R751 HydrophobicContact CG2-CB 3.97Å; I748-R751 WeakPolarHBondContact O-CB 3.32Å; I748-R751 PolarHBondContact O-N 3.41Å; H749-R751 VanDerWaalsContact C-N 3.25Å; H749-R751 PolarHBondContact O-N 3.12Å; R751-A754 WeakPolarHBondContact O-CB 3.25Å; R751-G919 PolarHBondContact NE-O 3.37Å; R751-G919 PolarHBondContact NH2-O 3.23Å; R751-V922 HydrophobicContact CB-CG1 4.16Å; R751-S923 PolarHBondContact NE-OG 3.27Å; R751-S923 PolarHBondContact NH2-OG 3.14Å; R751-S923 VanDerWaalsContact NH2-OG 3.08Å |
| 752 | T | 81.1 | Confident | 90.3 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 39% | 0.387 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -42.7 | -178 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | G750 | G750-T752 VanDerWaalsContact C-N 3.32Å; G750-T752 PolarHBondContact O-N 2.94Å |
| 753 | Q | 87.9 | Confident | 90.4 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -13.8 | 178 | 63.9 | -174.4 | 11.8 | 0 | 0 | 114 | G750 T755 G756 R757 H798 Y802 E988 | G750-Q753 VanDerWaalsContact O-CG 3.22Å; G750-Q753 WeakPolarHBondContact O-CG 3.48Å; G750-Q753 PolarHBondContact O-N 3.33Å; Q753-T755 VanDerWaalsContact C-N 3.31Å; Q753-T755 PolarHBondContact O-N 3.18Å; Q753-T755 VanDerWaalsContact O-N 3.17Å; Q753-G756 PolarHBondContact O-N 3.2Å; Q753-G756 VanDerWaalsContact O-N 3.16Å; Q753-R757 WeakPolarHBondContact O-CB 3.4Å; Q753-R757 PolarHBondContact O-N 2.9Å; Q753-H798 HydrophobicContact CB-CB 4.4Å; Q753-Y802 HydrophobicContact CB-CE2 4.43Å; Q753-Y802 WeakPolarHBondContact CB-OH 3.33Å; Q753-Y802 WeakPolarHBondContact CG-OH 3.44Å; Q753-Y802 PolarHBondContact OE1-OH 2.86Å; Q753-E988 PolarHBondContact NE2-OE1 1.77Å |
| 754 | A | 89.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.8 | -38.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G750 R751 G758 V922 L995 | G750-A754 PolarHBondContact O-N 2.9Å; R751-A754 WeakPolarHBondContact O-CB 3.25Å; A754-G758 PolarHBondContact O-N 2.96Å; A754-V922 HydrophobicContact CB-CB 3.7Å; A754-V922 HydrophobicContact CB-CG1 4.25Å; A754-V922 HydrophobicContact CB-CG2 3.52Å; A754-L995 HydrophobicContact CB-CD2 4.47Å |
| 755 | T | 88.3 | Confident | 90.7 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 14% | 0.141 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.2 | -46.2 | 179.7 | -46.7 | 0 | 0 | 0 | 0 | 111.6 | Q753 G758 L759 V795 N916 | Q753-T755 VanDerWaalsContact C-N 3.31Å; Q753-T755 PolarHBondContact O-N 3.18Å; Q753-T755 VanDerWaalsContact O-N 3.17Å; T755-G758 PolarHBondContact O-N 3.12Å; T755-L759 PolarHBondContact O-N 3.26Å; T755-V795 HydrophobicContact CG2-CB 4.4Å; T755-V795 HydrophobicContact CG2-CG1 3.65Å; T755-V795 HydrophobicContact CG2-CG2 3.86Å; T755-N916 HydrophobicContact CG2-CB 3.89Å |
| 756 | G | 91.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q753 W760 | Q753-G756 PolarHBondContact O-N 3.2Å; Q753-G756 VanDerWaalsContact O-N 3.16Å; G756-W760 PolarHBondContact O-N 3.15Å; G756-W760 VanDerWaalsContact O-N 3.11Å |
| 757 | R | 92.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 22.7 Ų | 22.7 | 20% | 0.2 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.7 | -35.8 | 173.4 | -158.4 | 173.4 | -173.3 | 142.6 | 0.6 | 112.3 | Q753 W760 N761 Y802 N992 L995 | Q753-R757 WeakPolarHBondContact O-CB 3.4Å; Q753-R757 PolarHBondContact O-N 2.9Å; R757-W760 HydrophobicContact CG-CE3 3.89Å; R757-W760 HydrophobicContact CG-CZ3 4.28Å; R757-W760 PolarHBondContact O-N 2.65Å; R757-N761 WeakPolarHBondContact O-CB 3.28Å; R757-N761 VanDerWaalsContact O-CG 3.25Å; R757-N761 PolarHBondContact O-N 2.97Å; R757-N761 PolarHBondContact O-ND2 3.27Å; R757-Y802 HydrophobicContact CB-CD2 4.04Å; R757-Y802 HydrophobicContact CB-CE2 3.5Å; R757-Y802 VanDerWaalsContact CB-CE2 3.5Å; R757-Y802 HydrophobicContact CG-CD2 4.28Å; R757-Y802 HydrophobicContact CG-CE2 3.87Å; R757-N992 WeakPolarHBondContact CD-OD1 3.19Å; R757-N992 VanDerWaalsContact CZ-OD1 3.29Å; R757-N992 PolarHBondContact NE-OD1 3.25Å; R757-N992 PolarHBondContact NH1-ND2 3.28Å; R757-N992 PolarHBondContact NH1-OD1 3Å; R757-L995 HydrophobicContact CB-CD2 4.12Å; R757-L995 HydrophobicContact CG-CD2 4.43Å |
| 758 | G | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A754 T755 W760 N761 G762 M999 | A754-G758 PolarHBondContact O-N 2.96Å; T755-G758 PolarHBondContact O-N 3.12Å; G758-W760 PolarHBondContact O-N 3.38Å; G758-N761 PolarHBondContact O-N 2.95Å; G758-G762 PolarHBondContact O-N 2.93Å; G758-M999 VanDerWaalsContact O-CE 3.26Å; G758-M999 WeakPolarHBondContact O-CE 3.35Å |
| 759 | L | 94.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -48.6 | 172.7 | 177.5 | 153 | 0 | 0 | 0 | 111.4 | T755 G762 L763 A799 V803 I865 A887 A889 I915 | T755-L759 PolarHBondContact O-N 3.26Å; L759-G762 PolarHBondContact O-N 3.46Å; L759-L763 HydrophobicContact CD2-CD2 4.07Å; L759-L763 WeakPolarHBondContact O-CB 3.5Å; L759-L763 PolarHBondContact O-N 2.8Å; L759-A799 HydrophobicContact CD1-CB 4.44Å; L759-A799 HydrophobicContact CD2-CB 4.19Å; L759-V803 HydrophobicContact CD2-CG2 4.22Å; L759-I865 HydrophobicContact CD1-CG2 3.64Å; L759-I865 HydrophobicContact CD2-CD1 4.2Å; L759-A887 HydrophobicContact CD1-CB 4.22Å; L759-A887 HydrophobicContact CG-CB 4.48Å; L759-A889 HydrophobicContact CD1-CB 3.73Å; L759-I915 HydrophobicContact CB-CG2 3.81Å; L759-I915 HydrophobicContact CD1-CG2 3.58Å; L759-I915 HydrophobicContact CG-CG2 3.6Å; L759-I915 PolarHBondContact N-O 3.27Å |
| 760 | W | 95.1 | Very high | 91.5 | Very high | 52 Ų | 52 | 28.9 Ų | 28.9 | 20% | 0.197 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.1 | -52.3 | 178.7 | 169.1 | 67 | 0 | 0 | 0 | 112.1 | G756 R757 G758 G762 L763 Q764 Y782 Y802 S806 | G756-W760 PolarHBondContact O-N 3.15Å; G756-W760 VanDerWaalsContact O-N 3.11Å; R757-W760 HydrophobicContact CG-CE3 3.89Å; R757-W760 HydrophobicContact CG-CZ3 4.28Å; R757-W760 PolarHBondContact O-N 2.65Å; G758-W760 PolarHBondContact O-N 3.38Å; W760-G762 VanDerWaalsContact C-N 3.32Å; W760-G762 PolarHBondContact O-N 3.43Å; W760-L763 PolarHBondContact O-N 3.16Å; W760-Q764 WeakPolarHBondContact O-CB 3.45Å; W760-Q764 PolarHBondContact O-N 2.9Å; W760-Y782 AromaticContact CD1-CE2 3.76Å; W760-Y782 AromaticContact CD1-CZ 3.64Å; W760-Y782 AromaticContact NE1-CE2 3.73Å; W760-Y782 PolarHBondContact O-OH 2.87Å; W760-Y802 HydrophobicContact CB-CG 4.49Å; W760-Y802 HydrophobicContact CD2-CG 4.48Å; W760-Y802 HydrophobicContact CG-CG 4.46Å; W760-S806 PolarHBondContact NE1-OG 2.7Å |
| 761 | N | 94.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.2 | -45.2 | 175.4 | -69.7 | -24.4 | 0 | 0 | 0 | 112 | R757 G758 V765 A996 M999 | R757-N761 WeakPolarHBondContact O-CB 3.28Å; R757-N761 VanDerWaalsContact O-CG 3.25Å; R757-N761 PolarHBondContact O-N 2.97Å; R757-N761 PolarHBondContact O-ND2 3.27Å; G758-N761 PolarHBondContact O-N 2.95Å; N761-V765 WeakPolarHBondContact O-CG2 3.26Å; N761-A996 WeakPolarHBondContact ND2-CA 3.24Å; N761-M999 HydrophobicContact CB-CB 3.86Å; N761-M999 HydrophobicContact CB-CG 4.09Å |
| 762 | G | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.1 | -43.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G758 L759 W760 Q764 V765 F766 | G758-G762 PolarHBondContact O-N 2.93Å; L759-G762 PolarHBondContact O-N 3.46Å; W760-G762 VanDerWaalsContact C-N 3.32Å; W760-G762 PolarHBondContact O-N 3.43Å; G762-Q764 VanDerWaalsContact C-N 3.33Å; G762-Q764 PolarHBondContact O-N 3.06Å; G762-V765 PolarHBondContact O-N 2.85Å; G762-F766 WeakPolarHBondContact O-CD2 3.36Å |
| 763 | L | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 176.7 | 173.1 | 59.7 | 0 | 0 | 0 | 111.4 | L759 W760 V765 F766 L767 Y782 V803 I863 I885 L910 | L759-L763 HydrophobicContact CD2-CD2 4.07Å; L759-L763 WeakPolarHBondContact O-CB 3.5Å; L759-L763 PolarHBondContact O-N 2.8Å; W760-L763 PolarHBondContact O-N 3.16Å; L763-V765 VanDerWaalsContact C-N 3.31Å; L763-V765 PolarHBondContact O-N 2.99Å; L763-F766 PolarHBondContact O-N 3.42Å; L763-L767 HydrophobicContact CD1-CD1 4.11Å; L763-L767 HydrophobicContact CD1-CD2 4.5Å; L763-L767 HydrophobicContact CD1-CG 3.99Å; L763-L767 HydrophobicContact CG-CD1 3.88Å; L763-L767 HydrophobicContact CG-CG 4.22Å; L763-L767 WeakPolarHBondContact O-CG 3.44Å; L763-L767 PolarHBondContact O-N 2.85Å; L763-Y782 WeakPolarHBondContact CB-OH 3.44Å; L763-Y782 HydrophobicContact CD2-CE1 3.78Å; L763-Y782 HydrophobicContact CG-CE1 4.08Å; L763-Y782 WeakPolarHBondContact CG-OH 3.48Å; L763-V803 HydrophobicContact CD2-CG2 4.39Å; L763-I863 HydrophobicContact CD1-CD1 4.43Å; L763-I863 HydrophobicContact CD2-CD1 4.13Å; L763-I863 HydrophobicContact CD2-CG2 4.22Å; L763-I885 HydrophobicContact CD1-CG2 4.08Å; L763-L910 HydrophobicContact CB-CD1 4.47Å; L763-L910 HydrophobicContact CD1-CD1 3.63Å |
| 764 | Q | 95 | Very high | 92.9 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -54.2 | -46.1 | 176.1 | -173.7 | 178.5 | -18 | 0 | 0 | 112 | W760 G762 F766 L767 D768 Y782 | W760-Q764 WeakPolarHBondContact O-CB 3.45Å; W760-Q764 PolarHBondContact O-N 2.9Å; G762-Q764 VanDerWaalsContact C-N 3.33Å; G762-Q764 PolarHBondContact O-N 3.06Å; Q764-F766 PolarHBondContact O-N 2.94Å; Q764-L767 CarbonylContact O-C 3.6Å; Q764-L767 PolarHBondContact O-N 3.1Å; Q764-D768 WeakPolarHBondContact CG-OD2 3.25Å; Q764-D768 PolarHBondContact NE2-OD2 2.85Å; Q764-D768 WeakPolarHBondContact O-CB 3.41Å; Q764-D768 PolarHBondContact O-N 2.79Å; Q764-Y782 HydrophobicContact CB-CE2 3.89Å; Q764-Y782 HydrophobicContact CG-CE2 4.19Å; Q764-Y782 PolarHBondContact N-OH 2.89Å |
| 765 | V | 94.6 | Very high | 92.9 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 16% | 0.158 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -28.4 | -175.6 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | N761 G762 L763 E1000 A1003 M1007 | N761-V765 WeakPolarHBondContact O-CG2 3.26Å; G762-V765 PolarHBondContact O-N 2.85Å; L763-V765 VanDerWaalsContact C-N 3.31Å; L763-V765 PolarHBondContact O-N 2.99Å; V765-E1000 HydrophobicContact CG2-CB 4.33Å; V765-E1000 HydrophobicContact CG2-CG 4.13Å; V765-A1003 HydrophobicContact CB-CB 3.83Å; V765-A1003 HydrophobicContact CG1-CB 3.59Å; V765-A1003 HydrophobicContact CG2-CB 4.26Å; V765-M1007 HydrophobicContact CG1-CE 4.11Å |
| 766 | F | 94.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -82.7 | -38 | 172.8 | -71.4 | -87.6 | 0 | 0 | 0 | 112.2 | G762 L763 Q764 D768 S769 Y772 M773 L908 L910 F914 A1003 M1007 L1019 | G762-F766 WeakPolarHBondContact O-CD2 3.36Å; L763-F766 PolarHBondContact O-N 3.42Å; Q764-F766 PolarHBondContact O-N 2.94Å; F766-D768 VanDerWaalsContact C-N 3.33Å; F766-D768 PolarHBondContact O-N 3.27Å; F766-S769 WeakPolarHBondContact O-CB 3.13Å; F766-S769 PolarHBondContact O-N 3.35Å; F766-Y772 HydrophobicContact CD1-CD2 4.18Å; F766-Y772 HydrophobicContact CD1-CE2 4.39Å; F766-Y772 HydrophobicContact CD1-CG 4.27Å; F766-Y772 HydrophobicContact CE1-CE2 4.36Å; F766-M773 WeakPolarHBondContact O-CE 3.47Å; F766-L908 HydrophobicContact CB-CD2 4.38Å; F766-L910 HydrophobicContact CB-CD1 4.27Å; F766-L910 HydrophobicContact CB-CD2 4.12Å; F766-L910 HydrophobicContact CD1-CD2 3.78Å; F766-L910 HydrophobicContact CD2-CD1 4.16Å; F766-L910 HydrophobicContact CD2-CD2 3.71Å; F766-L910 HydrophobicContact CE1-CD2 4.12Å; F766-L910 HydrophobicContact CE2-CD2 4.06Å; F766-L910 HydrophobicContact CG-CD1 4.33Å; F766-L910 HydrophobicContact CG-CD2 3.58Å; F766-L910 HydrophobicContact CZ-CD2 4.25Å; F766-F914 HydrophobicContact CD2-CE1 4.49Å; F766-F914 HydrophobicContact CE2-CD1 4.32Å; F766-F914 AromaticContact CE2-CE1 3.85Å; F766-F914 HydrophobicContact CE2-CE1 3.85Å; F766-A1003 HydrophobicContact CE2-CB 3.87Å; F766-A1003 HydrophobicContact CZ-CB 4.42Å; F766-M1007 HydrophobicContact CD1-CE 3.38Å; F766-M1007 HydrophobicContact CD2-CE 4.25Å; F766-M1007 HydrophobicContact CE1-CE 3.4Å; F766-M1007 HydrophobicContact CE1-CG 3.92Å; F766-M1007 HydrophobicContact CE2-CE 4.27Å; F766-M1007 HydrophobicContact CG-CE 3.83Å; F766-M1007 HydrophobicContact CZ-CE 3.87Å; F766-M1007 HydrophobicContact CZ-CG 4.21Å; F766-L1019 HydrophobicContact CD1-CD1 3.96Å; F766-L1019 HydrophobicContact CE1-CD1 3.39Å; F766-L1019 HydrophobicContact CE1-CD2 4.05Å; F766-L1019 HydrophobicContact CE1-CG 4.38Å; F766-L1019 HydrophobicContact CZ-CD1 3.97Å |
| 767 | L | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -32 | 175.1 | -71.4 | 178.6 | 0 | 0 | 0 | 113.5 | L763 Q764 S769 M773 T780 G781 Y782 K785 I863 I885 | L763-L767 HydrophobicContact CD1-CD1 4.11Å; L763-L767 HydrophobicContact CD1-CD2 4.5Å; L763-L767 HydrophobicContact CD1-CG 3.99Å; L763-L767 HydrophobicContact CG-CD1 3.88Å; L763-L767 HydrophobicContact CG-CG 4.22Å; L763-L767 WeakPolarHBondContact O-CG 3.44Å; L763-L767 PolarHBondContact O-N 2.85Å; Q764-L767 CarbonylContact O-C 3.6Å; Q764-L767 PolarHBondContact O-N 3.1Å; L767-S769 PolarHBondContact O-N 2.89Å; L767-M773 HydrophobicContact CD2-CE 4.16Å; L767-M773 HydrophobicContact CD2-SD 3.78Å; L767-M773 WeakPolarHBondContact O-CG 3.44Å; L767-T780 CarbonylContact O-C 3.52Å; L767-T780 WeakPolarHBondContact O-CA 3.46Å; L767-T780 VanDerWaalsContact O-CB 3.24Å; L767-T780 WeakPolarHBondContact O-CB 3.34Å; L767-T780 WeakPolarHBondContact O-CG2 3.12Å; L767-G781 PolarHBondContact O-N 2.85Å; L767-Y782 HydrophobicContact CD1-CD1 3.49Å; L767-Y782 VanDerWaalsContact CD1-CD1 3.49Å; L767-Y782 HydrophobicContact CD1-CD2 4.13Å; L767-Y782 HydrophobicContact CD1-CE1 3.39Å; L767-Y782 HydrophobicContact CD1-CE2 4.06Å; L767-Y782 HydrophobicContact CD1-CG 3.86Å; L767-K785 HydrophobicContact CD2-CD 4.09Å; L767-I863 HydrophobicContact CD1-CD1 4.24Å; L767-I863 HydrophobicContact CD2-CD1 4.43Å; L767-I885 HydrophobicContact CD2-CD1 3.52Å |
| 768 | D | 93.6 | Very high | 93 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.5 | 176.8 | -65.8 | -11.5 | 0 | 0 | 0 | 111.9 | Q764 F766 | Q764-D768 WeakPolarHBondContact CG-OD2 3.25Å; Q764-D768 PolarHBondContact NE2-OD2 2.85Å; Q764-D768 WeakPolarHBondContact O-CB 3.41Å; Q764-D768 PolarHBondContact O-N 2.79Å; F766-D768 VanDerWaalsContact C-N 3.33Å; F766-D768 PolarHBondContact O-N 3.27Å |
| 769 | S | 92.8 | Very high | 93 | Very high | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | trans | -103.2 | 100.2 | -178.5 | -164.9 | 0 | 0 | 0 | 0 | 112.1 | F766 L767 E771 Y772 M773 | F766-S769 WeakPolarHBondContact O-CB 3.13Å; F766-S769 PolarHBondContact O-N 3.35Å; L767-S769 PolarHBondContact O-N 2.89Å; S769-E771 PolarHBondContact O-N 3.19Å; S769-E771 VanDerWaalsContact O-N 3.12Å; S769-Y772 PolarHBondContact O-N 3.19Å; S769-M773 PolarHBondContact O-N 3.36Å; S769-M773 VanDerWaalsContact O-N 3.12Å | ||
| 770 | N | 91.3 | Very high | 92.9 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -44.1 | -46.9 | 175.7 | -60.5 | 5.1 | 0 | 0 | 0 | 112 | Y772 M773 D774 T780 | N770-Y772 PolarHBondContact O-N 3.12Å; N770-Y772 VanDerWaalsContact O-N 3.09Å; N770-M773 PolarHBondContact O-N 3.35Å; N770-M773 VanDerWaalsContact O-N 3.1Å; N770-D774 VanDerWaalsContact O-CB 3.31Å; N770-D774 WeakPolarHBondContact O-CB 3.44Å; N770-D774 PolarHBondContact O-N 3Å; N770-T780 WeakPolarHBondContact OD1-CG2 3.07Å |
| 771 | E | 90.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.1 | -29.1 | -176 | -161.1 | -156.6 | 135.3 | 0 | 0 | 114.4 | S769 K775 K1011 | S769-E771 PolarHBondContact O-N 3.19Å; S769-E771 VanDerWaalsContact O-N 3.12Å; E771-K775 WeakPolarHBondContact O-CD 3.48Å; E771-K775 WeakPolarHBondContact O-CE 3.49Å; E771-K775 WeakPolarHBondContact O-CG 3.28Å; E771-K775 PolarHBondContact O-NZ 3.46Å; E771-K775 IonicContact OE1-NZ 2.72Å; E771-K775 PolarHBondContact OE1-NZ 2.86Å; E771-K1011 WeakPolarHBondContact OE2-CE 3.37Å; E771-K1011 IonicContact OE2-NZ 3.88Å; E771-K1011 PolarHBondContact OE2-NZ 2.95Å |
| 772 | Y | 92.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -92.8 | -35.5 | 175.4 | -70.5 | -83.5 | 0 | 0 | 0 | 112 | F766 S769 N770 K775 I776 L908 M1007 M1017 L1019 | F766-Y772 HydrophobicContact CD1-CD2 4.18Å; F766-Y772 HydrophobicContact CD1-CE2 4.39Å; F766-Y772 HydrophobicContact CD1-CG 4.27Å; F766-Y772 HydrophobicContact CE1-CE2 4.36Å; S769-Y772 PolarHBondContact O-N 3.19Å; N770-Y772 PolarHBondContact O-N 3.12Å; N770-Y772 VanDerWaalsContact O-N 3.09Å; Y772-K775 PolarHBondContact O-N 3.02Å; Y772-I776 PolarHBondContact O-N 3.26Å; Y772-L908 HydrophobicContact CD1-CD1 3.89Å; Y772-M1007 HydrophobicContact CD2-CE 4.08Å; Y772-M1007 HydrophobicContact CE2-CE 3.9Å; Y772-M1007 HydrophobicContact CE2-CG 3.79Å; Y772-M1007 HydrophobicContact CE2-SD 4.01Å; Y772-M1017 HydrophobicContact CD1-SD 3.92Å; Y772-M1017 HydrophobicContact CE1-SD 4.31Å; Y772-L1019 HydrophobicContact CE1-CD1 4.35Å; Y772-L1019 HydrophobicContact CE1-CD2 4.02Å; Y772-L1019 HydrophobicContact CE1-CG 4.47Å |
| 773 | M | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 179.6 | -67.9 | -58.5 | 104.3 | 0 | 0 | 112.3 | F766 L767 S769 N770 K775 I776 G777 L778 T780 I885 L908 | F766-M773 WeakPolarHBondContact O-CE 3.47Å; L767-M773 HydrophobicContact CD2-CE 4.16Å; L767-M773 HydrophobicContact CD2-SD 3.78Å; L767-M773 WeakPolarHBondContact O-CG 3.44Å; S769-M773 PolarHBondContact O-N 3.36Å; S769-M773 VanDerWaalsContact O-N 3.12Å; N770-M773 PolarHBondContact O-N 3.35Å; N770-M773 VanDerWaalsContact O-N 3.1Å; M773-K775 VanDerWaalsContact C-N 3.34Å; M773-K775 PolarHBondContact O-N 3.25Å; M773-I776 HydrophobicContact CE-CD1 3.61Å; M773-I776 HydrophobicContact CE-CG1 4.46Å; M773-I776 WeakPolarHBondContact O-CG1 3.45Å; M773-I776 PolarHBondContact O-N 3.01Å; M773-I776 HydrophobicContact SD-CD1 4.04Å; M773-G777 PolarHBondContact O-N 3.3Å; M773-L778 CarbonylContact C-O 3.56Å; M773-L778 WeakPolarHBondContact CB-O 3.42Å; M773-L778 PolarHBondContact O-N 3.08Å; M773-L778 HydrophobicContact SD-CB 4.26Å; M773-T780 HydrophobicContact CB-CG2 4.13Å; M773-T780 HydrophobicContact CG-CG2 4Å; M773-I885 HydrophobicContact CE-CD1 3.88Å; M773-I885 HydrophobicContact SD-CD1 4.34Å; M773-L908 HydrophobicContact CE-CD2 3.68Å |
| 774 | D | 91.4 | Very high | 92.3 | Very high | 122 Ų | 122 | 53.6 Ų | 53.6 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 174.3 | -65.2 | -27.6 | 0 | 0 | 0 | 111.4 | N770 I776 G777 | N770-D774 VanDerWaalsContact O-CB 3.31Å; N770-D774 WeakPolarHBondContact O-CB 3.44Å; N770-D774 PolarHBondContact O-N 3Å; D774-I776 VanDerWaalsContact C-N 3.33Å; D774-I776 PolarHBondContact O-N 3.49Å; D774-G777 PolarHBondContact O-N 3.07Å |
| 775 | K | 89.1 | Confident | 92.3 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -30.6 | 180 | -72.8 | 172 | -164.7 | 158.1 | 0 | 113.6 | E771 Y772 M773 M1017 | E771-K775 WeakPolarHBondContact O-CD 3.48Å; E771-K775 WeakPolarHBondContact O-CE 3.49Å; E771-K775 WeakPolarHBondContact O-CG 3.28Å; E771-K775 PolarHBondContact O-NZ 3.46Å; E771-K775 IonicContact OE1-NZ 2.72Å; E771-K775 PolarHBondContact OE1-NZ 2.86Å; Y772-K775 PolarHBondContact O-N 3.02Å; M773-K775 VanDerWaalsContact C-N 3.34Å; M773-K775 PolarHBondContact O-N 3.25Å; K775-M1017 HydrophobicContact CB-CE 4.45Å; K775-M1017 HydrophobicContact CB-SD 4.13Å; K775-M1017 HydrophobicContact CD-SD 3.59Å; K775-M1017 VanDerWaalsContact CD-SD 3.59Å |
| 776 | I | 91.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -96.1 | -14.1 | 179 | 67 | -179.9 | 0 | 0 | 0 | 113.6 | Y772 M773 D774 L778 K884 I885 N906 L908 M1017 | Y772-I776 PolarHBondContact O-N 3.26Å; M773-I776 HydrophobicContact CE-CD1 3.61Å; M773-I776 HydrophobicContact CE-CG1 4.46Å; M773-I776 WeakPolarHBondContact O-CG1 3.45Å; M773-I776 PolarHBondContact O-N 3.01Å; M773-I776 HydrophobicContact SD-CD1 4.04Å; D774-I776 VanDerWaalsContact C-N 3.33Å; D774-I776 PolarHBondContact O-N 3.49Å; I776-L778 HydrophobicContact CD1-CB 4.34Å; I776-L778 HydrophobicContact CD1-CD1 3.81Å; I776-L778 HydrophobicContact CD1-CG 4.15Å; I776-L778 HydrophobicContact CG1-CB 4.16Å; I776-L778 HydrophobicContact CG1-CD1 4.32Å; I776-L778 HydrophobicContact CG1-CG 4.1Å; I776-K884 PolarHBondContact O-NZ 3.39Å; I776-I885 HydrophobicContact CD1-CD1 3.93Å; I776-I885 HydrophobicContact CD1-CG1 3.64Å; I776-N906 WeakPolarHBondContact CG2-O 3Å; I776-L908 HydrophobicContact CD1-CB 4.34Å; I776-L908 HydrophobicContact CD1-CD2 4.31Å; I776-L908 HydrophobicContact CG2-CB 3.98Å; I776-M1017 HydrophobicContact CG2-CE 3.59Å |
| 777 | G | 90.1 | Very high | 92.5 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 63% | 0.629 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 41.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M773 D774 | M773-G777 PolarHBondContact O-N 3.3Å; D774-G777 PolarHBondContact O-N 3.07Å |
| 778 | L | 92.1 | Very high | 92.6 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | trans | -122.7 | 158 | 175.8 | -69 | -175 | 0 | 0 | 0 | 111.7 | M773 I776 D862 K884 I885 | M773-L778 CarbonylContact C-O 3.56Å; M773-L778 WeakPolarHBondContact CB-O 3.42Å; M773-L778 PolarHBondContact O-N 3.08Å; M773-L778 HydrophobicContact SD-CB 4.26Å; I776-L778 HydrophobicContact CD1-CB 4.34Å; I776-L778 HydrophobicContact CD1-CD1 3.81Å; I776-L778 HydrophobicContact CD1-CG 4.15Å; I776-L778 HydrophobicContact CG1-CB 4.16Å; I776-L778 HydrophobicContact CG1-CD1 4.32Å; I776-L778 HydrophobicContact CG1-CG 4.1Å; L778-D862 HydrophobicContact CD1-CB 4.14Å; L778-D862 WeakPolarHBondContact CD2-OD1 3.4Å; L778-K884 HydrophobicContact CD1-CB 3.88Å; L778-K884 HydrophobicContact CD1-CG 4.47Å; L778-K884 HydrophobicContact CG-CB 4.45Å; L778-I885 HydrophobicContact CD1-CD1 4.3Å; L778-I885 HydrophobicContact CD1-CG1 4.41Å | ||
| 779 | S | 92.8 | Very high | 92.7 | Very high | 76 Ų | 76 | 47 Ų | 47 | 53% | 0.531 | 27% | 0.267 | S | S | . | . | trans | -68.6 | 161.9 | 165.9 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | K785 | S779-K785 WeakPolarHBondContact O-CE 3.3Å; S779-K785 PolarHBondContact O-NZ 3.25Å; S779-K785 PolarHBondContact OG-NZ 2.84Å | ||
| 780 | T | 93.7 | Very high | 92.8 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 43% | 0.429 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -78.3 | 161.1 | 171.1 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | L767 N770 M773 | L767-T780 CarbonylContact O-C 3.52Å; L767-T780 WeakPolarHBondContact O-CA 3.46Å; L767-T780 VanDerWaalsContact O-CB 3.24Å; L767-T780 WeakPolarHBondContact O-CB 3.34Å; L767-T780 WeakPolarHBondContact O-CG2 3.12Å; N770-T780 WeakPolarHBondContact OD1-CG2 3.07Å; M773-T780 HydrophobicContact CB-CG2 4.13Å; M773-T780 HydrophobicContact CG-CG2 4Å |
| 781 | G | 92.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 74.3 | 176.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L767 K785 | L767-G781 PolarHBondContact O-N 2.85Å; G781-K785 WeakPolarHBondContact O-CE 3.48Å |
| 782 | Y | 93 | Very high | 92.6 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -80 | -25.4 | -177.6 | -82.1 | -74 | 0 | 0 | 0 | 115.2 | W760 L763 Q764 L767 K785 V803 S806 A808 | W760-Y782 AromaticContact CD1-CE2 3.76Å; W760-Y782 AromaticContact CD1-CZ 3.64Å; W760-Y782 AromaticContact NE1-CE2 3.73Å; W760-Y782 PolarHBondContact O-OH 2.87Å; L763-Y782 WeakPolarHBondContact CB-OH 3.44Å; L763-Y782 HydrophobicContact CD2-CE1 3.78Å; L763-Y782 HydrophobicContact CG-CE1 4.08Å; L763-Y782 WeakPolarHBondContact CG-OH 3.48Å; Q764-Y782 HydrophobicContact CB-CE2 3.89Å; Q764-Y782 HydrophobicContact CG-CE2 4.19Å; Q764-Y782 PolarHBondContact N-OH 2.89Å; L767-Y782 HydrophobicContact CD1-CD1 3.49Å; L767-Y782 VanDerWaalsContact CD1-CD1 3.49Å; L767-Y782 HydrophobicContact CD1-CD2 4.13Å; L767-Y782 HydrophobicContact CD1-CE1 3.39Å; L767-Y782 HydrophobicContact CD1-CE2 4.06Å; L767-Y782 HydrophobicContact CD1-CG 3.86Å; Y782-K785 WeakPolarHBondContact O-CB 3.46Å; Y782-K785 PolarHBondContact O-N 2.96Å; Y782-V803 HydrophobicContact CD1-CG1 4.07Å; Y782-V803 HydrophobicContact CE1-CB 4.39Å; Y782-V803 HydrophobicContact CE1-CG1 3.91Å; Y782-V803 HydrophobicContact CE1-CG2 4.04Å; Y782-S806 VanDerWaalsContact CB-O 3.26Å; Y782-S806 WeakPolarHBondContact CB-O 3.41Å; Y782-A808 HydrophobicContact CD1-CB 4.24Å; Y782-A808 WeakPolarHBondContact O-CB 3.32Å |
| 783 | K | 91 | Very high | 92.3 | Very high | 143 Ų | 143 | 41.1 Ų | 41.1 | 62% | 0.622 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 140.6 | -166.8 | -160.9 | -165.6 | 165.7 | -169.9 | 0 | 111.5 | K785 | K783-K785 PolarHBondContact O-N 2.8Š|
| 784 | D | 87.8 | Confident | 91.8 | Very high | 129 Ų | 129 | 45.9 Ų | 45.9 | 69% | 0.69 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 2.2 | 175.4 | -50.6 | -51.3 | 0 | 0 | 0 | 114.8 | G807 | D784-G807 PolarHBondContact N-O 2.63Š|
| 785 | K | 95 | Very high | 91.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | trans | -78.3 | 152.5 | 172.9 | -60.6 | -153.8 | -175.2 | -33.4 | 0 | 112.6 | L767 S779 G781 Y782 K783 A808 K809 D862 I863 | L767-K785 HydrophobicContact CD2-CD 4.09Å; S779-K785 WeakPolarHBondContact O-CE 3.3Å; S779-K785 PolarHBondContact O-NZ 3.25Å; S779-K785 PolarHBondContact OG-NZ 2.84Å; G781-K785 WeakPolarHBondContact O-CE 3.48Å; Y782-K785 WeakPolarHBondContact O-CB 3.46Å; Y782-K785 PolarHBondContact O-N 2.96Å; K783-K785 PolarHBondContact O-N 2.8Å; K785-A808 HydrophobicContact CB-CB 4.46Å; K785-A808 CarbonylContact O-C 3.54Å; K785-A808 WeakPolarHBondContact O-CA 3.36Å; K785-K809 PolarHBondContact O-N 2.92Å; K785-D862 HydrophobicContact CB-CB 4.2Å; K785-D862 HydrophobicContact CD-CB 4.29Å; K785-I863 HydrophobicContact CD-CD1 4.3Å | ||
| 786 | T | 97 | Very high | 91.7 | Very high | 35 Ų | 35 | 38 Ų | 38 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143.1 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | K809 I811 C861 D862 I863 | T786-K809 CarbonylContact C-O 3.57Å; T786-K809 WeakPolarHBondContact CA-O 3.38Å; T786-I811 HydrophobicContact CG2-CG2 3.98Å; T786-C861 WeakPolarHBondContact OG1-CA 3.3Å; T786-D862 PolarHBondContact N-OD2 3.4Å; T786-D862 WeakPolarHBondContact O-CB 3.44Å; T786-D862 PolarHBondContact O-N 2.84Å; T786-D862 PolarHBondContact OG1-N 3.3Å; T786-D862 VanDerWaalsContact OG1-N 3.1Å; T786-D862 PolarHBondContact OG1-OD2 3.49Å; T786-I863 PolarHBondContact O-N 2.87Å |
| 787 | F | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.6 | 176.2 | 76 | -87.6 | 0 | 0 | 0 | 114.8 | V803 H804 A808 K809 M810 I811 I863 I865 | F787-V803 HydrophobicContact CD1-CG1 3.64Å; F787-V803 HydrophobicContact CD2-CG1 4.47Å; F787-V803 HydrophobicContact CE1-CB 4.17Å; F787-V803 HydrophobicContact CE1-CG1 3.56Å; F787-V803 HydrophobicContact CE2-CG1 4.41Å; F787-V803 HydrophobicContact CG-CG1 4.1Å; F787-V803 HydrophobicContact CZ-CB 4.11Å; F787-V803 HydrophobicContact CZ-CG1 3.95Å; F787-H804 HydrophobicContact CE1-CB 4.46Å; F787-H804 HydrophobicContact CZ-CB 4.41Å; F787-A808 HydrophobicContact CD1-CB 3.96Å; F787-A808 HydrophobicContact CE1-CB 4.22Å; F787-K809 WeakPolarHBondContact CD1-O 3.22Å; F787-K809 PolarHBondContact N-O 2.96Å; F787-M810 HydrophobicContact CD1-CB 4.32Å; F787-M810 HydrophobicContact CD2-CB 4.37Å; F787-M810 HydrophobicContact CD2-CG 4.14Å; F787-M810 HydrophobicContact CE1-CB 3.73Å; F787-M810 HydrophobicContact CE1-CG 4.47Å; F787-M810 VanDerWaalsContact CE1-N 3.32Å; F787-M810 HydrophobicContact CE2-CB 3.78Å; F787-M810 HydrophobicContact CE2-CG 3.61Å; F787-M810 HydrophobicContact CE2-SD 3.87Å; F787-M810 HydrophobicContact CZ-CB 3.44Å; F787-M810 VanDerWaalsContact CZ-CB 3.44Å; F787-M810 HydrophobicContact CZ-CG 3.83Å; F787-M810 HydrophobicContact CZ-SD 4.14Å; F787-M810 CarbonylContact O-C 3.59Å; F787-M810 WeakPolarHBondContact O-CA 3.29Å; F787-I811 PolarHBondContact O-N 3.4Å; F787-I863 CarbonylContact C-O 3.57Å; F787-I863 WeakPolarHBondContact CA-O 3.16Å; F787-I863 HydrophobicContact CB-CB 3.97Å; F787-I863 WeakPolarHBondContact CB-O 3.47Å; F787-I865 HydrophobicContact CD2-CD1 4.05Å |
| 788 | I | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137.4 | 173.2 | -65.5 | 173.8 | 0 | 0 | 0 | 107.9 | I811 G812 L856 E859 C861 I863 L864 I865 | I788-I811 HydrophobicContact CD1-CD1 4.3Å; I788-I811 HydrophobicContact CD1-CG1 4.26Å; I788-I811 HydrophobicContact CG1-CD1 4.24Å; I788-I811 HydrophobicContact CG1-CG1 3.71Å; I788-G812 WeakPolarHBondContact CA-O 3.2Å; I788-L856 HydrophobicContact CD1-CD1 4.06Å; I788-L856 HydrophobicContact CG2-CG 4.36Å; I788-E859 HydrophobicContact CD1-CB 4.1Å; I788-C861 HydrophobicContact CD1-CB 3.91Å; I788-C861 HydrophobicContact CG1-CB 3.89Å; I788-I863 PolarHBondContact N-O 3.41Å; I788-L864 HydrophobicContact CB-CD1 3.82Å; I788-L864 HydrophobicContact CG2-CD1 3.72Å; I788-I865 PolarHBondContact O-N 2.92Å |
| 789 | V | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.3 | 175.9 | 79.9 | 0 | 0 | 0 | 0 | 110.1 | Y792 M810 G812 V813 V814 I865 | V789-Y792 HydrophobicContact CG1-CD2 3.88Å; V789-Y792 HydrophobicContact CG1-CE2 4.32Å; V789-M810 HydrophobicContact CG1-SD 4.25Å; V789-G812 PolarHBondContact N-O 2.89Å; V789-G812 VanDerWaalsContact N-O 3.13Å; V789-V813 HydrophobicContact CG1-CB 4.28Å; V789-V813 HydrophobicContact CG1-CG1 3.88Å; V789-V813 HydrophobicContact CG1-CG2 3.98Å; V789-V813 WeakPolarHBondContact O-CA 3.44Å; V789-V814 PolarHBondContact O-N 3.01Å; V789-I865 WeakPolarHBondContact CA-O 3.02Å; V789-I865 HydrophobicContact CB-CB 4.47Å; V789-I865 HydrophobicContact CG2-CB 4Å; V789-I865 HydrophobicContact CG2-CG2 3.95Å |
| 790 | Q | 93.6 | Very high | 92.1 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119 | 176.2 | 169.8 | -99.3 | 10.2 | 0 | 0 | 109.6 | V814 L857 I865 P866 A867 A868 | Q790-V814 HydrophobicContact CB-CB 3.96Å; Q790-V814 HydrophobicContact CB-CG2 4.46Å; Q790-V814 HydrophobicContact CG-CB 3.97Å; Q790-V814 HydrophobicContact CG-CG1 4Å; Q790-L857 HydrophobicContact CB-CD2 3.83Å; Q790-L857 HydrophobicContact CG-CD2 4.04Å; Q790-I865 PolarHBondContact N-O 3.33Å; Q790-P866 VanDerWaalsContact OE1-CA 3.32Å; Q790-A867 CarbonylContact O-C 3.6Å; Q790-A867 VanDerWaalsContact O-C 3.28Å; Q790-A867 WeakPolarHBondContact O-CA 3.2Å; Q790-A867 VanDerWaalsContact O-CB 3.24Å; Q790-A867 WeakPolarHBondContact O-CB 2.94Å; Q790-A867 PolarHBondContact O-N 2.78Å; Q790-A867 VanDerWaalsContact OE1-N 3.09Å; Q790-A868 PolarHBondContact NE2-O 3.17Å; Q790-A868 PolarHBondContact O-N 2.78Å; Q790-A868 VanDerWaalsContact O-N 3.15Å; Q790-A868 PolarHBondContact OE1-O 3.44Å |
| 791 | G | 89.4 | Confident | 92.1 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | trans | 89.1 | 96.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G793 V814 | G791-G793 PolarHBondContact O-N 3.37Å; G791-G793 VanDerWaalsContact O-N 3.12Å; G791-V814 PolarHBondContact N-O 2.78Å | ||
| 792 | Y | 90.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | trans | -89.6 | 46.3 | 179.3 | -148.2 | -104.5 | 0 | 0 | 0 | 112.3 | V789 M810 V813 E815 P828 L831 E832 K835 | V789-Y792 HydrophobicContact CG1-CD2 3.88Å; V789-Y792 HydrophobicContact CG1-CE2 4.32Å; Y792-M810 HydrophobicContact CE2-CE 4.24Å; Y792-M810 HydrophobicContact CE2-SD 4.21Å; Y792-V813 HydrophobicContact CD2-CG1 3.65Å; Y792-V813 HydrophobicContact CD2-CG2 4.38Å; Y792-V813 HydrophobicContact CE2-CG2 4.49Å; Y792-V813 HydrophobicContact CG-CG1 4Å; Y792-E815 PolarHBondContact N-OE1 3.07Å; Y792-E815 VanDerWaalsContact N-OE1 3.15Å; Y792-P828 VanDerWaalsContact OH-CA 3.27Å; Y792-P828 WeakPolarHBondContact OH-CA 3.33Å; Y792-P828 WeakPolarHBondContact OH-CB 3.19Å; Y792-P828 PolarHBondContact OH-O 2.93Å; Y792-L831 HydrophobicContact CD1-CD2 4.32Å; Y792-L831 HydrophobicContact CD2-CD2 4.3Å; Y792-L831 HydrophobicContact CE1-CD2 3.98Å; Y792-L831 HydrophobicContact CE1-CG 4.07Å; Y792-L831 HydrophobicContact CE2-CD2 3.96Å; Y792-L831 HydrophobicContact CG-CD2 4.47Å; Y792-E832 HydrophobicContact CE1-CB 4.37Å; Y792-K835 HydrophobicContact CD1-CD 4.17Å; Y792-K835 PolarHBondContact O-NZ 2.92Å | ||
| 793 | G | 86.1 | Confident | 92.3 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 40% | 0.402 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -93.5 | -172.8 | 166 | 0 | 0 | 0 | 0 | 0 | 111.7 | G791 V795 G796 S797 | G791-G793 PolarHBondContact O-N 3.37Å; G791-G793 VanDerWaalsContact O-N 3.12Å; G793-V795 VanDerWaalsContact C-N 3.26Å; G793-V795 PolarHBondContact O-N 3.23Å; G793-G796 PolarHBondContact O-N 3.09Å; G793-S797 PolarHBondContact O-N 3.15Å; G793-S797 PolarHBondContact O-OG 3.2Å |
| 794 | N | 82.1 | Confident | 92.5 | Very high | 101 Ų | 101 | 28.7 Ų | 28.7 | 54% | 0.54 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -42.4 | -46 | -173.3 | -72.9 | 11.4 | 0 | 0 | 0 | 114.9 | H798 | N794-H798 WeakPolarHBondContact O-CB 3.46Å; N794-H798 PolarHBondContact O-CD2 2.88Å; N794-H798 PolarHBondContact O-N 3.33Å |
| 795 | V | 86.3 | Confident | 92.8 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 22% | 0.218 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69 | -48.3 | -178.2 | -171 | 0 | 0 | 0 | 0 | 110.9 | T755 G793 A799 A867 A889 | T755-V795 HydrophobicContact CG2-CB 4.4Å; T755-V795 HydrophobicContact CG2-CG1 3.65Å; T755-V795 HydrophobicContact CG2-CG2 3.86Å; G793-V795 VanDerWaalsContact C-N 3.26Å; G793-V795 PolarHBondContact O-N 3.23Å; V795-A799 WeakPolarHBondContact O-CB 3.42Å; V795-A799 PolarHBondContact O-N 3.15Å; V795-A867 HydrophobicContact CB-CB 4.46Å; V795-A889 HydrophobicContact CG1-CB 3.63Å |
| 796 | G | 91.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.6 | -41.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G793 S800 | G793-G796 PolarHBondContact O-N 3.09Å; G796-S800 VanDerWaalsContact O-CB 3.23Å; G796-S800 WeakPolarHBondContact O-CB 3.39Å; G796-S800 PolarHBondContact O-N 2.97Å; G796-S800 PolarHBondContact O-OG 3.03Å |
| 797 | S | 92.5 | Very high | 92.5 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.2 | -48.5 | 178.7 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | G793 S800 R801 | G793-S797 PolarHBondContact O-N 3.15Å; G793-S797 PolarHBondContact O-OG 3.2Å; S797-S800 PolarHBondContact O-N 3.48Å; S797-R801 WeakPolarHBondContact O-CG 3.29Å; S797-R801 PolarHBondContact O-N 3.06Å |
| 798 | H | 93 | Very high | 92.4 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 13% | 0.13 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.2 | -70.9 | -57.4 | 0 | 0 | 0 | 112.1 | Q753 N794 S800 R801 Y802 | Q753-H798 HydrophobicContact CB-CB 4.4Å; N794-H798 WeakPolarHBondContact O-CB 3.46Å; N794-H798 PolarHBondContact O-CD2 2.88Å; N794-H798 PolarHBondContact O-N 3.33Å; H798-S800 VanDerWaalsContact C-N 3.34Å; H798-S800 PolarHBondContact O-N 2.89Å; H798-R801 PolarHBondContact O-N 3.18Å; H798-Y802 HydrophobicContact CB-CE2 4.28Å; H798-Y802 WeakPolarHBondContact O-CD2 3.33Å; H798-Y802 PolarHBondContact O-N 2.89Å; H798-Y802 VanDerWaalsContact O-N 3.16Å |
| 799 | A | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L759 V795 R801 Y802 V803 | L759-A799 HydrophobicContact CD1-CB 4.44Å; L759-A799 HydrophobicContact CD2-CB 4.19Å; V795-A799 WeakPolarHBondContact O-CB 3.42Å; V795-A799 PolarHBondContact O-N 3.15Å; A799-R801 VanDerWaalsContact C-N 3.35Å; A799-R801 PolarHBondContact O-N 2.66Å; A799-Y802 PolarHBondContact O-N 3.45Å; A799-V803 WeakPolarHBondContact O-CB 3.2Å; A799-V803 VanDerWaalsContact O-CG2 3.3Å; A799-V803 WeakPolarHBondContact O-CG2 3.1Å; A799-V803 PolarHBondContact O-N 3.44Å |
| 800 | S | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | G796 S797 H798 H804 M810 | G796-S800 VanDerWaalsContact O-CB 3.23Å; G796-S800 WeakPolarHBondContact O-CB 3.39Å; G796-S800 PolarHBondContact O-N 2.97Å; G796-S800 PolarHBondContact O-OG 3.03Å; S797-S800 PolarHBondContact O-N 3.48Å; H798-S800 VanDerWaalsContact C-N 3.34Å; H798-S800 PolarHBondContact O-N 2.89Å; S800-H804 WeakPolarHBondContact O-CB 3.34Å; S800-H804 PolarHBondContact O-N 3.39Å; S800-M810 PolarHBondContact OG-SD 2.85Å |
| 801 | R | 94.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 31.9 Ų | 31.9 | 32% | 0.317 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 177.1 | -71.3 | 171.2 | 93 | 167.5 | -0.6 | 112.1 | S797 H798 A799 A805 P828 E832 | S797-R801 WeakPolarHBondContact O-CG 3.29Å; S797-R801 PolarHBondContact O-N 3.06Å; H798-R801 PolarHBondContact O-N 3.18Å; A799-R801 VanDerWaalsContact C-N 3.35Å; A799-R801 PolarHBondContact O-N 2.66Å; R801-A805 VanDerWaalsContact O-CB 3.24Å; R801-A805 WeakPolarHBondContact O-CB 3.32Å; R801-A805 PolarHBondContact O-N 3.48Å; R801-P828 HydrophobicContact CG-CB 3.8Å; R801-E832 WeakPolarHBondContact CD-OE2 3.35Å; R801-E832 IonicContact CZ-OE1 3.58Å; R801-E832 IonicContact CZ-OE2 2.68Å; R801-E832 IonicContact NE-OE2 2.64Å; R801-E832 PolarHBondContact NE-OE2 2.87Å; R801-E832 IonicContact NH1-OE1 3.42Å; R801-E832 PolarHBondContact NH1-OE1 2.9Å; R801-E832 IonicContact NH1-OE2 2.75Å; R801-E832 PolarHBondContact NH1-OE2 3.14Å; R801-E832 IonicContact NH2-OE2 3.14Å |
| 802 | Y | 94.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 15% | 0.145 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73 | -41.8 | -179.4 | -61 | -57.3 | 0 | 0 | 0 | 113.5 | Q753 R757 W760 H798 A799 A805 S806 | Q753-Y802 HydrophobicContact CB-CE2 4.43Å; Q753-Y802 WeakPolarHBondContact CB-OH 3.33Å; Q753-Y802 WeakPolarHBondContact CG-OH 3.44Å; Q753-Y802 PolarHBondContact OE1-OH 2.86Å; R757-Y802 HydrophobicContact CB-CD2 4.04Å; R757-Y802 HydrophobicContact CB-CE2 3.5Å; R757-Y802 VanDerWaalsContact CB-CE2 3.5Å; R757-Y802 HydrophobicContact CG-CD2 4.28Å; R757-Y802 HydrophobicContact CG-CE2 3.87Å; W760-Y802 HydrophobicContact CB-CG 4.49Å; W760-Y802 HydrophobicContact CD2-CG 4.48Å; W760-Y802 HydrophobicContact CG-CG 4.46Å; H798-Y802 HydrophobicContact CB-CE2 4.28Å; H798-Y802 WeakPolarHBondContact O-CD2 3.33Å; H798-Y802 PolarHBondContact O-N 2.89Å; H798-Y802 VanDerWaalsContact O-N 3.16Å; A799-Y802 PolarHBondContact O-N 3.45Å; Y802-A805 PolarHBondContact O-N 3.17Å; Y802-S806 PolarHBondContact O-N 2.87Å; Y802-S806 VanDerWaalsContact O-N 3.09Å; Y802-S806 PolarHBondContact O-OG 2.61Å |
| 803 | V | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | L759 L763 Y782 F787 A799 S806 A808 | L759-V803 HydrophobicContact CD2-CG2 4.22Å; L763-V803 HydrophobicContact CD2-CG2 4.39Å; Y782-V803 HydrophobicContact CD1-CG1 4.07Å; Y782-V803 HydrophobicContact CE1-CB 4.39Å; Y782-V803 HydrophobicContact CE1-CG1 3.91Å; Y782-V803 HydrophobicContact CE1-CG2 4.04Å; F787-V803 HydrophobicContact CD1-CG1 3.64Å; F787-V803 HydrophobicContact CD2-CG1 4.47Å; F787-V803 HydrophobicContact CE1-CB 4.17Å; F787-V803 HydrophobicContact CE1-CG1 3.56Å; F787-V803 HydrophobicContact CE2-CG1 4.41Å; F787-V803 HydrophobicContact CG-CG1 4.1Å; F787-V803 HydrophobicContact CZ-CB 4.11Å; F787-V803 HydrophobicContact CZ-CG1 3.95Å; A799-V803 WeakPolarHBondContact O-CB 3.2Å; A799-V803 VanDerWaalsContact O-CG2 3.3Å; A799-V803 WeakPolarHBondContact O-CG2 3.1Å; A799-V803 PolarHBondContact O-N 3.44Å; V803-S806 PolarHBondContact O-N 3.29Å; V803-A808 HydrophobicContact CG1-CB 3.8Å; V803-A808 PolarHBondContact O-N 3.07Å |
| 804 | H | 95.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 29.7 Ų | 29.7 | 30% | 0.296 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 172.1 | -177.7 | -75.6 | 0 | 0 | 0 | 112.9 | F787 S800 S806 G807 A808 P828 | F787-H804 HydrophobicContact CE1-CB 4.46Å; F787-H804 HydrophobicContact CZ-CB 4.41Å; S800-H804 WeakPolarHBondContact O-CB 3.34Å; S800-H804 PolarHBondContact O-N 3.39Å; H804-S806 PolarHBondContact O-N 3.26Å; H804-S806 VanDerWaalsContact O-N 3.13Å; H804-G807 PolarHBondContact O-N 3.49Å; H804-A808 WeakPolarHBondContact CA-O 3.32Å; H804-P828 HydrophobicContact CB-CG 3.65Å; H804-P828 WeakPolarHBondContact CD2-CD 3.43Å; H804-P828 VanDerWaalsContact CG-CD 3.48Å |
| 805 | A | 93.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 26.4 Ų | 26.4 | 69% | 0.686 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -61.1 | -20.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R801 Y802 G807 | R801-A805 VanDerWaalsContact O-CB 3.24Å; R801-A805 WeakPolarHBondContact O-CB 3.32Å; R801-A805 PolarHBondContact O-N 3.48Å; Y802-A805 PolarHBondContact O-N 3.17Å; A805-G807 VanDerWaalsContact C-N 3.31Å |
| 806 | S | 93.1 | Very high | 93.7 | Very high | 38 Ų | 38 | 33 Ų | 33 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 2.8 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 114.1 | W760 Y782 Y802 V803 H804 | W760-S806 PolarHBondContact NE1-OG 2.7Å; Y782-S806 VanDerWaalsContact CB-O 3.26Å; Y782-S806 WeakPolarHBondContact CB-O 3.41Å; Y802-S806 PolarHBondContact O-N 2.87Å; Y802-S806 VanDerWaalsContact O-N 3.09Å; Y802-S806 PolarHBondContact O-OG 2.61Å; V803-S806 PolarHBondContact O-N 3.29Å; H804-S806 PolarHBondContact O-N 3.26Å; H804-S806 VanDerWaalsContact O-N 3.13Å |
| 807 | G | 92.9 | Very high | 93.3 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 42% | 0.423 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 10.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D784 H804 A805 | D784-G807 PolarHBondContact N-O 2.63Å; H804-G807 PolarHBondContact O-N 3.49Å; A805-G807 VanDerWaalsContact C-N 3.31Å |
| 808 | A | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | trans | -88.3 | 148.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y782 K785 F787 V803 H804 | Y782-A808 HydrophobicContact CD1-CB 4.24Å; Y782-A808 WeakPolarHBondContact O-CB 3.32Å; K785-A808 HydrophobicContact CB-CB 4.46Å; K785-A808 CarbonylContact O-C 3.54Å; K785-A808 WeakPolarHBondContact O-CA 3.36Å; F787-A808 HydrophobicContact CD1-CB 3.96Å; F787-A808 HydrophobicContact CE1-CB 4.22Å; V803-A808 HydrophobicContact CG1-CB 3.8Å; V803-A808 PolarHBondContact O-N 3.07Å; H804-A808 WeakPolarHBondContact CA-O 3.32Å | ||
| 809 | K | 96.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 38% | 0.383 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.9 | -174.9 | -177.9 | 176.3 | -70.8 | -156.5 | 0 | 111.7 | K785 T786 F787 I811 N824 | K785-K809 PolarHBondContact O-N 2.92Å; T786-K809 CarbonylContact C-O 3.57Å; T786-K809 WeakPolarHBondContact CA-O 3.38Å; F787-K809 WeakPolarHBondContact CD1-O 3.22Å; F787-K809 PolarHBondContact N-O 2.96Å; K809-I811 HydrophobicContact CD-CG2 4.09Å; K809-I811 HydrophobicContact CG-CG2 3.92Å; K809-I811 PolarHBondContact O-N 2.76Å; K809-N824 WeakPolarHBondContact CD-O 3.42Å; K809-N824 VanDerWaalsContact CE-O 3.23Å; K809-N824 WeakPolarHBondContact CE-O 3.38Å; K809-N824 PolarHBondContact NZ-O 2.82Å |
| 810 | M | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 111.2 | 170.7 | -166.9 | 166.8 | 71.3 | 0 | 0 | 108.9 | F787 V789 Y792 S800 V813 G825 I826 P828 L831 | F787-M810 HydrophobicContact CD1-CB 4.32Å; F787-M810 HydrophobicContact CD2-CB 4.37Å; F787-M810 HydrophobicContact CD2-CG 4.14Å; F787-M810 HydrophobicContact CE1-CB 3.73Å; F787-M810 HydrophobicContact CE1-CG 4.47Å; F787-M810 VanDerWaalsContact CE1-N 3.32Å; F787-M810 HydrophobicContact CE2-CB 3.78Å; F787-M810 HydrophobicContact CE2-CG 3.61Å; F787-M810 HydrophobicContact CE2-SD 3.87Å; F787-M810 HydrophobicContact CZ-CB 3.44Å; F787-M810 VanDerWaalsContact CZ-CB 3.44Å; F787-M810 HydrophobicContact CZ-CG 3.83Å; F787-M810 HydrophobicContact CZ-SD 4.14Å; F787-M810 CarbonylContact O-C 3.59Å; F787-M810 WeakPolarHBondContact O-CA 3.29Å; V789-M810 HydrophobicContact CG1-SD 4.25Å; Y792-M810 HydrophobicContact CE2-CE 4.24Å; Y792-M810 HydrophobicContact CE2-SD 4.21Å; S800-M810 PolarHBondContact OG-SD 2.85Å; M810-V813 HydrophobicContact CE-CG2 3.72Å; M810-V813 HydrophobicContact CG-CG2 4.27Å; M810-V813 HydrophobicContact SD-CG2 3.77Å; M810-G825 CarbonylContact O-C 3.48Å; M810-G825 WeakPolarHBondContact O-CA 3.43Å; M810-I826 HydrophobicContact CE-CB 3.72Å; M810-I826 HydrophobicContact CE-CG2 3.53Å; M810-I826 PolarHBondContact O-N 3.36Å; M810-P828 HydrophobicContact CE-CB 4.44Å; M810-P828 HydrophobicContact CE-CG 4.05Å; M810-P828 HydrophobicContact SD-CG 4.38Å; M810-L831 HydrophobicContact CE-CD2 4Å |
| 811 | I | 96.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -18 | -178.8 | 62.2 | 169.4 | 0 | 0 | 0 | 113.4 | T786 F787 I788 K809 Y821 N822 K860 C861 | T786-I811 HydrophobicContact CG2-CG2 3.98Å; F787-I811 PolarHBondContact O-N 3.4Å; I788-I811 HydrophobicContact CD1-CD1 4.3Å; I788-I811 HydrophobicContact CD1-CG1 4.26Å; I788-I811 HydrophobicContact CG1-CD1 4.24Å; I788-I811 HydrophobicContact CG1-CG1 3.71Å; K809-I811 HydrophobicContact CD-CG2 4.09Å; K809-I811 HydrophobicContact CG-CG2 3.92Å; K809-I811 PolarHBondContact O-N 2.76Å; I811-Y821 HydrophobicContact CB-CE2 4.29Å; I811-Y821 HydrophobicContact CD1-CE2 4.14Å; I811-Y821 HydrophobicContact CG1-CE2 4.32Å; I811-Y821 WeakPolarHBondContact O-CA 3.23Å; I811-Y821 WeakPolarHBondContact O-CD2 3.41Å; I811-N822 WeakPolarHBondContact CA-O 3.17Å; I811-N822 PolarHBondContact O-N 2.77Å; I811-K860 WeakPolarHBondContact CD1-O 3.37Å; I811-C861 HydrophobicContact CD1-CB 4.08Å |
| 812 | G | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 151.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I788 V789 I820 | I788-G812 WeakPolarHBondContact CA-O 3.2Å; V789-G812 PolarHBondContact N-O 2.89Å; V789-G812 VanDerWaalsContact N-O 3.13Å; G812-I820 CarbonylContact C-O 3.54Å; G812-I820 VanDerWaalsContact CA-O 3.27Å; G812-I820 WeakPolarHBondContact CA-O 3.28Å |
| 813 | V | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.7 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | V789 Y792 M810 S819 I820 I826 L831 I841 | V789-V813 HydrophobicContact CG1-CB 4.28Å; V789-V813 HydrophobicContact CG1-CG1 3.88Å; V789-V813 HydrophobicContact CG1-CG2 3.98Å; V789-V813 WeakPolarHBondContact O-CA 3.44Å; Y792-V813 HydrophobicContact CD2-CG1 3.65Å; Y792-V813 HydrophobicContact CD2-CG2 4.38Å; Y792-V813 HydrophobicContact CE2-CG2 4.49Å; Y792-V813 HydrophobicContact CG-CG1 4Å; M810-V813 HydrophobicContact CE-CG2 3.72Å; M810-V813 HydrophobicContact CG-CG2 4.27Å; M810-V813 HydrophobicContact SD-CG2 3.77Å; V813-S819 WeakPolarHBondContact O-CA 3.46Å; V813-I820 HydrophobicContact CB-CD1 4.4Å; V813-I820 HydrophobicContact CB-CG1 3.92Å; V813-I820 HydrophobicContact CG2-CG1 4.46Å; V813-I820 PolarHBondContact N-O 3.29Å; V813-I820 PolarHBondContact O-N 3.34Å; V813-I826 HydrophobicContact CG2-CD1 4.32Å; V813-L831 HydrophobicContact CB-CD2 4.36Å; V813-L831 HydrophobicContact CG1-CD2 4.41Å; V813-L831 HydrophobicContact CG2-CD2 3.72Å; V813-I841 HydrophobicContact CB-CD1 4.02Å; V813-I841 HydrophobicContact CG1-CD1 3.58Å |
| 814 | V | 92.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.6 | 174 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | V789 Q790 G791 L856 L857 | V789-V814 PolarHBondContact O-N 3.01Å; Q790-V814 HydrophobicContact CB-CB 3.96Å; Q790-V814 HydrophobicContact CB-CG2 4.46Å; Q790-V814 HydrophobicContact CG-CB 3.97Å; Q790-V814 HydrophobicContact CG-CG1 4Å; G791-V814 PolarHBondContact N-O 2.78Å; V814-L856 HydrophobicContact CG2-CB 3.93Å; V814-L856 HydrophobicContact CG2-CD2 3.89Å; V814-L856 HydrophobicContact CG2-CG 3.99Å; V814-L857 HydrophobicContact CG2-CD2 4.32Å; V814-L857 HydrophobicContact CG2-CG 4.47Å |
| 815 | E | 90.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | trans | -127 | 170 | 171.3 | -100.3 | -70 | -174.5 | 0 | 0 | 111.8 | Y792 D817 G818 K835 I841 | Y792-E815 PolarHBondContact N-OE1 3.07Å; Y792-E815 VanDerWaalsContact N-OE1 3.15Å; E815-D817 PolarHBondContact O-N 2.97Å; E815-G818 WeakPolarHBondContact CA-O 2.86Å; E815-G818 WeakPolarHBondContact CB-O 3.38Å; E815-G818 PolarHBondContact N-O 2.72Å; E815-G818 PolarHBondContact O-N 3.19Å; E815-K835 IonicContact OE1-NZ 2.77Å; E815-K835 PolarHBondContact OE1-NZ 2.95Å; E815-I841 HydrophobicContact CB-CD1 3.64Å; E815-I841 HydrophobicContact CB-CG1 3.95Å; E815-I841 HydrophobicContact CG-CD1 3.62Å; E815-I841 HydrophobicContact CG-CG1 4Å; E815-I841 HydrophobicContact CG-CG2 4.46Å | ||
| 816 | K | 84.1 | Confident | 92.9 | Very high | 174 Ų | 174 | 38.8 Ų | 38.8 | 76% | 0.757 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -58.2 | -39 | 176 | -162 | 178.4 | -174.9 | -178 | 0 | 111.8 | K853 | K816-K853 PolarHBondContact O-NZ 2.84Š|
| 817 | D | 83.7 | Confident | 93 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -76.2 | -26.8 | -175.6 | -45.8 | -19.1 | 0 | 0 | 0 | 113.2 | E815 T840 V842 | E815-D817 PolarHBondContact O-N 2.97Å; D817-T840 WeakPolarHBondContact OD2-CB 3.37Å; D817-T840 PolarHBondContact OD2-OG1 3.29Å; D817-V842 HydrophobicContact CB-CG2 4.14Å |
| 818 | G | 88.7 | Confident | 93.1 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | trans | 159.9 | 176.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E815 | E815-G818 WeakPolarHBondContact CA-O 2.86Å; E815-G818 WeakPolarHBondContact CB-O 3.38Å; E815-G818 PolarHBondContact N-O 2.72Å; E815-G818 PolarHBondContact O-N 3.19Å | ||
| 819 | S | 92.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.9 | -175.7 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | V813 A849 F850 K853 | V813-S819 WeakPolarHBondContact O-CA 3.46Å; S819-A849 CarbonylContact O-C 3.51Å; S819-A849 WeakPolarHBondContact O-CA 3.46Å; S819-F850 PolarHBondContact O-N 3.22Å; S819-K853 VanDerWaalsContact CB-O 3.32Å; S819-K853 WeakPolarHBondContact CB-O 3.45Å; S819-K853 PolarHBondContact OG-O 3.28Å |
| 820 | I | 95 | Very high | 92.9 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.2 | 176.1 | 64 | 172.4 | 0 | 0 | 0 | 112 | G812 V813 I826 L831 I841 F844 A847 K848 L856 | G812-I820 CarbonylContact C-O 3.54Å; G812-I820 VanDerWaalsContact CA-O 3.27Å; G812-I820 WeakPolarHBondContact CA-O 3.28Å; V813-I820 HydrophobicContact CB-CD1 4.4Å; V813-I820 HydrophobicContact CB-CG1 3.92Å; V813-I820 HydrophobicContact CG2-CG1 4.46Å; V813-I820 PolarHBondContact N-O 3.29Å; V813-I820 PolarHBondContact O-N 3.34Å; I820-I826 HydrophobicContact CD1-CD1 4.21Å; I820-I826 HydrophobicContact CG1-CD1 4.16Å; I820-L831 HydrophobicContact CD1-CD1 3.56Å; I820-L831 HydrophobicContact CD1-CD2 4.02Å; I820-L831 HydrophobicContact CD1-CG 4.47Å; I820-I841 HydrophobicContact CD1-CB 4.23Å; I820-I841 HydrophobicContact CD1-CD1 4.29Å; I820-I841 HydrophobicContact CG1-CD1 4.07Å; I820-F844 HydrophobicContact CD1-CB 4.21Å; I820-F844 HydrophobicContact CD1-CD1 4.3Å; I820-A847 HydrophobicContact CB-CB 3.9Å; I820-A847 HydrophobicContact CD1-CB 4.14Å; I820-A847 HydrophobicContact CG1-CB 4.35Å; I820-K848 CarbonylContact C-O 3.6Å; I820-K848 VanDerWaalsContact CA-O 3.28Å; I820-K848 WeakPolarHBondContact CA-O 3.47Å; I820-L856 WeakPolarHBondContact O-CD2 3.17Å |
| 821 | Y | 95.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.3 | -176.1 | -178 | -110.2 | 0 | 0 | 0 | 112 | I811 P823 K848 F850 L856 | I811-Y821 HydrophobicContact CB-CE2 4.29Å; I811-Y821 HydrophobicContact CD1-CE2 4.14Å; I811-Y821 HydrophobicContact CG1-CE2 4.32Å; I811-Y821 WeakPolarHBondContact O-CA 3.23Å; I811-Y821 WeakPolarHBondContact O-CD2 3.41Å; Y821-P823 HydrophobicContact CE1-CB 4.32Å; Y821-P823 HydrophobicContact CE1-CG 4.19Å; Y821-K848 PolarHBondContact N-O 3.36Å; Y821-K848 PolarHBondContact O-N 2.95Å; Y821-F850 HydrophobicContact CD1-CD2 4.3Å; Y821-F850 HydrophobicContact CG-CD2 4.02Å; Y821-F850 HydrophobicContact CG-CE2 4.46Å; Y821-L856 HydrophobicContact CD2-CD1 3.66Å; Y821-L856 HydrophobicContact CE2-CD1 4.36Å; Y821-L856 HydrophobicContact CG-CD1 4.3Å |
| 822 | N | 95.3 | Very high | 92.5 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | trans | -150.9 | 111.4 | 166.6 | -176.1 | -3.3 | 0 | 0 | 0 | 110.5 | I811 N824 G825 I826 K846 A847 | I811-N822 WeakPolarHBondContact CA-O 3.17Å; I811-N822 PolarHBondContact O-N 2.77Å; N822-N824 PolarHBondContact O-N 3.24Å; N822-N824 VanDerWaalsContact OD1-CB 3.31Å; N822-N824 WeakPolarHBondContact OD1-CB 3.4Å; N822-N824 PolarHBondContact OD1-N 2.91Å; N822-G825 PolarHBondContact ND2-O 3.1Å; N822-G825 PolarHBondContact O-N 2.86Å; N822-I826 HydrophobicContact CB-CD1 4.46Å; N822-I826 HydrophobicContact CB-CG1 3.85Å; N822-K846 PolarHBondContact ND2-O 3.48Å; N822-A847 HydrophobicContact CB-CB 4.28Å | ||
| 823 | P | 91.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 47 Ų | 47 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20 | 178.6 | 29.1 | -34.7 | 0 | 0 | 0 | 113 | Y821 G825 | Y821-P823 HydrophobicContact CE1-CB 4.32Å; Y821-P823 HydrophobicContact CE1-CG 4.19Å; P823-G825 VanDerWaalsContact C-N 3.28Å |
| 824 | N | 92.1 | Very high | 92.4 | Very high | 130 Ų | 130 | 48.6 Ų | 48.6 | 70% | 0.695 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.9 | 173.3 | -65.3 | -37.8 | 0 | 0 | 0 | 112.8 | K809 N822 | K809-N824 WeakPolarHBondContact CD-O 3.42Å; K809-N824 VanDerWaalsContact CE-O 3.23Å; K809-N824 WeakPolarHBondContact CE-O 3.38Å; K809-N824 PolarHBondContact NZ-O 2.82Å; N822-N824 PolarHBondContact O-N 3.24Å; N822-N824 VanDerWaalsContact OD1-CB 3.31Å; N822-N824 WeakPolarHBondContact OD1-CB 3.4Å; N822-N824 PolarHBondContact OD1-N 2.91Å |
| 825 | G | 93 | Very high | 92.3 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | trans | 113.5 | 146.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M810 N822 P823 | M810-G825 CarbonylContact O-C 3.48Å; M810-G825 WeakPolarHBondContact O-CA 3.43Å; N822-G825 PolarHBondContact ND2-O 3.1Å; N822-G825 PolarHBondContact O-N 2.86Å; P823-G825 VanDerWaalsContact C-N 3.28Å | ||
| 826 | I | 95.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | trans | -113.5 | 126.8 | 175.8 | -54.4 | 175.2 | 0 | 0 | 0 | 107.5 | M810 V813 I820 N822 P828 L831 F844 A847 | M810-I826 HydrophobicContact CE-CB 3.72Å; M810-I826 HydrophobicContact CE-CG2 3.53Å; M810-I826 PolarHBondContact O-N 3.36Å; V813-I826 HydrophobicContact CG2-CD1 4.32Å; I820-I826 HydrophobicContact CD1-CD1 4.21Å; I820-I826 HydrophobicContact CG1-CD1 4.16Å; N822-I826 HydrophobicContact CB-CD1 4.46Å; N822-I826 HydrophobicContact CB-CG1 3.85Å; I826-P828 WeakPolarHBondContact O-CD 3.47Å; I826-L831 HydrophobicContact CG2-CB 4.22Å; I826-L831 HydrophobicContact CG2-CD2 4.09Å; I826-F844 HydrophobicContact CG2-CD1 4.41Å; I826-F844 HydrophobicContact CG2-CE1 3.91Å; I826-A847 HydrophobicContact CD1-CB 4.13Å; I826-A847 HydrophobicContact CG1-CB 4.39Å | ||
| 827 | V | 95.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 55 Ų | 55 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | trans | -84.2 | 119 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | L829 E830 L831 | V827-L829 VanDerWaalsContact C-N 3.32Å; V827-L829 PolarHBondContact O-N 3.21Å; V827-E830 HydrophobicContact CB-CB 4.3Å; V827-E830 HydrophobicContact CB-CG 3.9Å; V827-E830 HydrophobicContact CG1-CG 3.94Å; V827-E830 PolarHBondContact O-N 3.13Å; V827-L831 PolarHBondContact O-N 3.14Å | ||
| 828 | P | 94 | Very high | 93.1 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -36.3 | -172.2 | -29.5 | 36.8 | 0 | 0 | 0 | 115 | Y792 R801 H804 M810 I826 E832 | Y792-P828 VanDerWaalsContact OH-CA 3.27Å; Y792-P828 WeakPolarHBondContact OH-CA 3.33Å; Y792-P828 WeakPolarHBondContact OH-CB 3.19Å; Y792-P828 PolarHBondContact OH-O 2.93Å; R801-P828 HydrophobicContact CG-CB 3.8Å; H804-P828 HydrophobicContact CB-CG 3.65Å; H804-P828 WeakPolarHBondContact CD2-CD 3.43Å; H804-P828 VanDerWaalsContact CG-CD 3.48Å; M810-P828 HydrophobicContact CE-CB 4.44Å; M810-P828 HydrophobicContact CE-CG 4.05Å; M810-P828 HydrophobicContact SD-CG 4.38Å; I826-P828 WeakPolarHBondContact O-CD 3.47Å; P828-E832 VanDerWaalsContact O-CB 3.23Å; P828-E832 WeakPolarHBondContact O-CB 3.21Å; P828-E832 PolarHBondContact O-N 3.06Å |
| 829 | L | 92.9 | Very high | 93.1 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 178.4 | -105.6 | 112.8 | 0 | 0 | 0 | 112.5 | V827 E832 Q833 | V827-L829 VanDerWaalsContact C-N 3.32Å; V827-L829 PolarHBondContact O-N 3.21Å; L829-E832 PolarHBondContact O-N 2.98Å; L829-Q833 WeakPolarHBondContact O-CG 3.43Å; L829-Q833 PolarHBondContact O-N 2.97Å |
| 830 | E | 95 | Very high | 93 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.8 | -38.8 | -179.9 | -58.9 | -175.5 | 151.1 | 0 | 0 | 111 | V827 E832 Y834 F844 K846 | V827-E830 HydrophobicContact CB-CB 4.3Å; V827-E830 HydrophobicContact CB-CG 3.9Å; V827-E830 HydrophobicContact CG1-CG 3.94Å; V827-E830 PolarHBondContact O-N 3.13Å; E830-E832 VanDerWaalsContact C-N 3.35Å; E830-Y834 WeakPolarHBondContact O-CB 3.47Å; E830-Y834 PolarHBondContact O-N 3Å; E830-F844 HydrophobicContact CB-CE2 4.21Å; E830-F844 HydrophobicContact CB-CZ 3.95Å; E830-K846 IonicContact OE1-NZ 2.67Å; E830-K846 PolarHBondContact OE1-NZ 2.91Å; E830-K846 VanDerWaalsContact OE2-CD 3.26Å; E830-K846 WeakPolarHBondContact OE2-CD 3.33Å; E830-K846 WeakPolarHBondContact OE2-CE 3.4Å; E830-K846 IonicContact OE2-NZ 3.29Å; E830-K846 PolarHBondContact OE2-NZ 2.95Å |
| 831 | L | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 174.9 | -176.7 | 63.4 | 0 | 0 | 0 | 112.1 | Y792 M810 V813 I820 I826 V827 Y834 K835 I841 F844 | Y792-L831 HydrophobicContact CD1-CD2 4.32Å; Y792-L831 HydrophobicContact CD2-CD2 4.3Å; Y792-L831 HydrophobicContact CE1-CD2 3.98Å; Y792-L831 HydrophobicContact CE1-CG 4.07Å; Y792-L831 HydrophobicContact CE2-CD2 3.96Å; Y792-L831 HydrophobicContact CG-CD2 4.47Å; M810-L831 HydrophobicContact CE-CD2 4Å; V813-L831 HydrophobicContact CB-CD2 4.36Å; V813-L831 HydrophobicContact CG1-CD2 4.41Å; V813-L831 HydrophobicContact CG2-CD2 3.72Å; I820-L831 HydrophobicContact CD1-CD1 3.56Å; I820-L831 HydrophobicContact CD1-CD2 4.02Å; I820-L831 HydrophobicContact CD1-CG 4.47Å; I826-L831 HydrophobicContact CG2-CB 4.22Å; I826-L831 HydrophobicContact CG2-CD2 4.09Å; V827-L831 PolarHBondContact O-N 3.14Å; L831-Y834 PolarHBondContact O-N 3.21Å; L831-K835 WeakPolarHBondContact O-CB 2.97Å; L831-K835 PolarHBondContact O-N 3.25Å; L831-I841 HydrophobicContact CD1-CB 4.01Å; L831-I841 HydrophobicContact CD1-CG2 3.97Å; L831-I841 HydrophobicContact CD2-CG2 4.44Å; L831-I841 HydrophobicContact CG-CG2 4.26Å; L831-F844 HydrophobicContact CB-CZ 4.49Å; L831-F844 HydrophobicContact CD1-CB 3.98Å; L831-F844 HydrophobicContact CD1-CD1 4.01Å; L831-F844 HydrophobicContact CD1-CD2 4.01Å; L831-F844 HydrophobicContact CD1-CG 3.73Å |
| 832 | E | 91.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 177.5 | -172.7 | 175.4 | -162.6 | 0 | 0 | 111.8 | Y792 R801 P828 L829 E830 K835 Q836 | Y792-E832 HydrophobicContact CE1-CB 4.37Å; R801-E832 WeakPolarHBondContact CD-OE2 3.35Å; R801-E832 IonicContact CZ-OE1 3.58Å; R801-E832 IonicContact CZ-OE2 2.68Å; R801-E832 IonicContact NE-OE2 2.64Å; R801-E832 PolarHBondContact NE-OE2 2.87Å; R801-E832 IonicContact NH1-OE1 3.42Å; R801-E832 PolarHBondContact NH1-OE1 2.9Å; R801-E832 IonicContact NH1-OE2 2.75Å; R801-E832 PolarHBondContact NH1-OE2 3.14Å; R801-E832 IonicContact NH2-OE2 3.14Å; P828-E832 VanDerWaalsContact O-CB 3.23Å; P828-E832 WeakPolarHBondContact O-CB 3.21Å; P828-E832 PolarHBondContact O-N 3.06Å; L829-E832 PolarHBondContact O-N 2.98Å; E830-E832 VanDerWaalsContact C-N 3.35Å; E832-K835 PolarHBondContact O-N 3.07Å; E832-Q836 VanDerWaalsContact O-CG 3.28Å; E832-Q836 WeakPolarHBondContact O-CG 3.43Å; E832-Q836 PolarHBondContact O-N 3.31Å |
| 833 | Q | 92.9 | Very high | 92.2 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 169.6 | -73.7 | 174.5 | -45.7 | 0 | 0 | 111.1 | L829 K835 Q836 E837 | L829-Q833 WeakPolarHBondContact O-CG 3.43Å; L829-Q833 PolarHBondContact O-N 2.97Å; Q833-K835 VanDerWaalsContact C-N 3.32Å; Q833-K835 PolarHBondContact O-N 3.49Å; Q833-Q836 WeakPolarHBondContact O-CB 3.31Å; Q833-Q836 PolarHBondContact O-N 2.93Å; Q833-E837 WeakPolarHBondContact O-CG 3.43Å; Q833-E837 PolarHBondContact O-N 2.74Å |
| 834 | Y | 94.1 | Very high | 92.2 | Very high | 33 Ų | 33 | 56.5 Ų | 56.5 | 13% | 0.129 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 177.8 | -174.7 | -95.6 | 0 | 0 | 0 | 112.3 | E830 L831 Q836 E837 H838 G843 F844 | E830-Y834 WeakPolarHBondContact O-CB 3.47Å; E830-Y834 PolarHBondContact O-N 3Å; L831-Y834 PolarHBondContact O-N 3.21Å; Y834-Q836 VanDerWaalsContact C-N 3.35Å; Y834-Q836 PolarHBondContact O-N 3.33Å; Y834-E837 PolarHBondContact O-N 3.39Å; Y834-H838 HydrophobicContact CD1-CB 4.48Å; Y834-H838 AromaticContact CD2-CE1 3.52Å; Y834-H838 AromaticContact CD2-ND1 3.42Å; Y834-H838 WeakPolarHBondContact CD2-ND1 3.31Å; Y834-H838 HydrophobicContact CE1-CB 4.12Å; Y834-H838 AromaticContact CE2-CD2 3.79Å; Y834-H838 AromaticContact CE2-CE1 3.33Å; Y834-H838 WeakPolarHBondContact CE2-CE1 3.31Å; Y834-H838 AromaticContact CE2-CG 3.72Å; Y834-H838 AromaticContact CE2-ND1 3.4Å; Y834-H838 WeakPolarHBondContact CE2-ND1 3.49Å; Y834-H838 AromaticContact CE2-NE2 3.55Å; Y834-H838 AromaticContact CG-ND1 3.86Å; Y834-H838 AromaticContact CZ-CD2 3.79Å; Y834-H838 AromaticContact CZ-CG 3.67Å; Y834-H838 AromaticContact CZ-ND1 3.83Å; Y834-H838 WeakPolarHBondContact O-CB 3.32Å; Y834-H838 PolarHBondContact O-N 2.67Å; Y834-H838 PolarHBondContact O-ND1 3.42Å; Y834-G843 VanDerWaalsContact OH-C 3.25Å; Y834-G843 PolarHBondContact OH-O 3.11Å; Y834-F844 HydrophobicContact CD1-CB 4Å; Y834-F844 HydrophobicContact CD1-CD2 4Å; Y834-F844 HydrophobicContact CD1-CG 4.49Å; Y834-F844 HydrophobicContact CD2-CD2 4.06Å; Y834-F844 HydrophobicContact CE1-CB 4.11Å; Y834-F844 HydrophobicContact CG-CB 4.44Å; Y834-F844 AromaticContact CG-CD2 3.62Å; Y834-F844 HydrophobicContact CG-CD2 3.62Å; Y834-F844 HydrophobicContact CG-CE2 4.44Å |
| 835 | K | 91.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 21% | 0.213 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -32.3 | 177 | -170.5 | 176.7 | -178 | 177.3 | 0 | 112.8 | Y792 E815 L831 E832 Q833 G839 I841 | Y792-K835 HydrophobicContact CD1-CD 4.17Å; Y792-K835 PolarHBondContact O-NZ 2.92Å; E815-K835 IonicContact OE1-NZ 2.77Å; E815-K835 PolarHBondContact OE1-NZ 2.95Å; L831-K835 WeakPolarHBondContact O-CB 2.97Å; L831-K835 PolarHBondContact O-N 3.25Å; E832-K835 PolarHBondContact O-N 3.07Å; Q833-K835 VanDerWaalsContact C-N 3.32Å; Q833-K835 PolarHBondContact O-N 3.49Å; K835-G839 CarbonylContact O-C 3.56Å; K835-G839 WeakPolarHBondContact O-CA 3.14Å; K835-G839 PolarHBondContact O-N 3.28Å; K835-I841 HydrophobicContact CB-CG2 4.35Å; K835-I841 HydrophobicContact CD-CG2 3.86Å; K835-I841 HydrophobicContact CG-CG2 4.29Å |
| 836 | Q | 89.5 | Confident | 92.2 | Very high | 149 Ų | 149 | 60.1 Ų | 60.1 | 70% | 0.696 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.9 | -36.1 | 173.4 | -74.3 | 172.8 | 16 | 0 | 0 | 112.2 | E832 Q833 Y834 | E832-Q836 VanDerWaalsContact O-CG 3.28Å; E832-Q836 WeakPolarHBondContact O-CG 3.43Å; E832-Q836 PolarHBondContact O-N 3.31Å; Q833-Q836 WeakPolarHBondContact O-CB 3.31Å; Q833-Q836 PolarHBondContact O-N 2.93Å; Y834-Q836 VanDerWaalsContact C-N 3.35Å; Y834-Q836 PolarHBondContact O-N 3.33Å |
| 837 | E | 93 | Very high | 92.1 | Very high | 147 Ų | 147 | 61 Ų | 61 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -76.8 | -40.6 | 178.2 | -70.1 | 170.1 | -179.9 | 0 | 0 | 113.3 | Q833 Y834 | Q833-E837 WeakPolarHBondContact O-CG 3.43Å; Q833-E837 PolarHBondContact O-N 2.74Å; Y834-E837 PolarHBondContact O-N 3.39Å |
| 838 | H | 91.9 | Very high | 92 | Very high | 103 Ų | 103 | 66.4 Ų | 66.4 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -108.5 | -7 | -169.6 | -60 | 73.8 | 0 | 0 | 0 | 113.9 | Y834 T840 | Y834-H838 HydrophobicContact CD1-CB 4.48Å; Y834-H838 AromaticContact CD2-CE1 3.52Å; Y834-H838 AromaticContact CD2-ND1 3.42Å; Y834-H838 WeakPolarHBondContact CD2-ND1 3.31Å; Y834-H838 HydrophobicContact CE1-CB 4.12Å; Y834-H838 AromaticContact CE2-CD2 3.79Å; Y834-H838 AromaticContact CE2-CE1 3.33Å; Y834-H838 WeakPolarHBondContact CE2-CE1 3.31Å; Y834-H838 AromaticContact CE2-CG 3.72Å; Y834-H838 AromaticContact CE2-ND1 3.4Å; Y834-H838 WeakPolarHBondContact CE2-ND1 3.49Å; Y834-H838 AromaticContact CE2-NE2 3.55Å; Y834-H838 AromaticContact CG-ND1 3.86Å; Y834-H838 AromaticContact CZ-CD2 3.79Å; Y834-H838 AromaticContact CZ-CG 3.67Å; Y834-H838 AromaticContact CZ-ND1 3.83Å; Y834-H838 WeakPolarHBondContact O-CB 3.32Å; Y834-H838 PolarHBondContact O-N 2.67Å; Y834-H838 PolarHBondContact O-ND1 3.42Å; H838-T840 PolarHBondContact O-N 2.9Å |
| 839 | G | 88.8 | Confident | 91.8 | Very high | 56 Ų | 56 | 69.9 Ų | 69.9 | 58% | 0.577 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 75.8 | -22.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K835 | K835-G839 CarbonylContact O-C 3.56Å; K835-G839 WeakPolarHBondContact O-CA 3.14Å; K835-G839 PolarHBondContact O-N 3.28Å |
| 840 | T | 90.7 | Very high | 91.5 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -128.4 | 169.8 | -178.9 | -169.6 | 0 | 0 | 0 | 0 | 112.3 | D817 H838 V842 | D817-T840 WeakPolarHBondContact OD2-CB 3.37Å; D817-T840 PolarHBondContact OD2-OG1 3.29Å; H838-T840 PolarHBondContact O-N 2.9Å; T840-V842 HydrophobicContact CG2-CB 4.26Å; T840-V842 PolarHBondContact OG1-N 3.27Å |
| 841 | I | 90.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -94.1 | -15.8 | 172.1 | 67.5 | 172.5 | 0 | 0 | 0 | 113.1 | V813 E815 I820 L831 K835 G843 F844 | V813-I841 HydrophobicContact CB-CD1 4.02Å; V813-I841 HydrophobicContact CG1-CD1 3.58Å; E815-I841 HydrophobicContact CB-CD1 3.64Å; E815-I841 HydrophobicContact CB-CG1 3.95Å; E815-I841 HydrophobicContact CG-CD1 3.62Å; E815-I841 HydrophobicContact CG-CG1 4Å; E815-I841 HydrophobicContact CG-CG2 4.46Å; I820-I841 HydrophobicContact CD1-CB 4.23Å; I820-I841 HydrophobicContact CD1-CD1 4.29Å; I820-I841 HydrophobicContact CG1-CD1 4.07Å; L831-I841 HydrophobicContact CD1-CB 4.01Å; L831-I841 HydrophobicContact CD1-CG2 3.97Å; L831-I841 HydrophobicContact CD2-CG2 4.44Å; L831-I841 HydrophobicContact CG-CG2 4.26Å; K835-I841 HydrophobicContact CB-CG2 4.35Å; K835-I841 HydrophobicContact CD-CG2 3.86Å; K835-I841 HydrophobicContact CG-CG2 4.29Å; I841-G843 PolarHBondContact O-N 3.2Å; I841-F844 WeakPolarHBondContact O-CB 3.04Å; I841-F844 PolarHBondContact O-N 3.31Å |
| 842 | V | 88.6 | Confident | 90.4 | Very high | 58 Ų | 58 | 75.9 Ų | 75.9 | 35% | 0.352 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 129.1 | -178.1 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | D817 T840 | D817-V842 HydrophobicContact CB-CG2 4.14Å; T840-V842 HydrophobicContact CG2-CB 4.26Å; T840-V842 PolarHBondContact OG1-N 3.27Å |
| 843 | G | 89.6 | Confident | 90 | Very high | 50 Ų | 50 | 77.3 Ų | 77.3 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -0.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y834 I841 P845 | Y834-G843 VanDerWaalsContact OH-C 3.25Å; Y834-G843 PolarHBondContact OH-O 3.11Å; I841-G843 PolarHBondContact O-N 3.2Å; G843-P845 WeakPolarHBondContact O-CD 3.49Å; G843-P845 VanDerWaalsContact O-N 3.14Å |
| 844 | F | 92.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 5% | 0.048 | 42% | 0.419 | C | S | . | . | trans | -53.2 | 116 | 178.3 | 179 | -116.3 | 0 | 0 | 0 | 112.2 | I820 I826 E830 L831 Y834 I841 K846 A847 | I820-F844 HydrophobicContact CD1-CB 4.21Å; I820-F844 HydrophobicContact CD1-CD1 4.3Å; I826-F844 HydrophobicContact CG2-CD1 4.41Å; I826-F844 HydrophobicContact CG2-CE1 3.91Å; E830-F844 HydrophobicContact CB-CE2 4.21Å; E830-F844 HydrophobicContact CB-CZ 3.95Å; L831-F844 HydrophobicContact CB-CZ 4.49Å; L831-F844 HydrophobicContact CD1-CB 3.98Å; L831-F844 HydrophobicContact CD1-CD1 4.01Å; L831-F844 HydrophobicContact CD1-CD2 4.01Å; L831-F844 HydrophobicContact CD1-CG 3.73Å; Y834-F844 HydrophobicContact CD1-CB 4Å; Y834-F844 HydrophobicContact CD1-CD2 4Å; Y834-F844 HydrophobicContact CD1-CG 4.49Å; Y834-F844 HydrophobicContact CD2-CD2 4.06Å; Y834-F844 HydrophobicContact CE1-CB 4.11Å; Y834-F844 HydrophobicContact CG-CB 4.44Å; Y834-F844 AromaticContact CG-CD2 3.62Å; Y834-F844 HydrophobicContact CG-CD2 3.62Å; Y834-F844 HydrophobicContact CG-CE2 4.44Å; I841-F844 WeakPolarHBondContact O-CB 3.04Å; I841-F844 PolarHBondContact O-N 3.31Å; F844-K846 HydrophobicContact CD1-CB 4.31Å; F844-K846 HydrophobicContact CE1-CB 3.66Å; F844-K846 HydrophobicContact CZ-CB 4.04Å; F844-K846 HydrophobicContact CZ-CD 4.43Å; F844-K846 HydrophobicContact CZ-CG 4.45Å; F844-K846 PolarHBondContact O-N 3.18Å; F844-A847 HydrophobicContact CD1-CB 3.94Å; F844-A847 PolarHBondContact O-N 3.14Å | ||
| 845 | P | 92.1 | Very high | 88.8 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 72% | 0.721 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.3 | -165.3 | -28.9 | 35.6 | 0 | 0 | 0 | 116.7 | G843 | G843-P845 WeakPolarHBondContact O-CD 3.49Å; G843-P845 VanDerWaalsContact O-N 3.14Å |
| 846 | K | 93 | Very high | 88.6 | Confident | 114 Ų | 114 | 76 Ų | 76 | 50% | 0.496 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 16.5 | 179.4 | -56.3 | -179.3 | -173.8 | -178 | 0 | 113.2 | N822 E830 F844 | N822-K846 PolarHBondContact ND2-O 3.48Å; E830-K846 IonicContact OE1-NZ 2.67Å; E830-K846 PolarHBondContact OE1-NZ 2.91Å; E830-K846 VanDerWaalsContact OE2-CD 3.26Å; E830-K846 WeakPolarHBondContact OE2-CD 3.33Å; E830-K846 WeakPolarHBondContact OE2-CE 3.4Å; E830-K846 IonicContact OE2-NZ 3.29Å; E830-K846 PolarHBondContact OE2-NZ 2.95Å; F844-K846 HydrophobicContact CD1-CB 4.31Å; F844-K846 HydrophobicContact CE1-CB 3.66Å; F844-K846 HydrophobicContact CZ-CB 4.04Å; F844-K846 HydrophobicContact CZ-CD 4.43Å; F844-K846 HydrophobicContact CZ-CG 4.45Å; F844-K846 PolarHBondContact O-N 3.18Å |
| 847 | A | 92.8 | Very high | 88.5 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 17% | 0.165 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -140.3 | 160.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | I820 N822 I826 F844 | I820-A847 HydrophobicContact CB-CB 3.9Å; I820-A847 HydrophobicContact CD1-CB 4.14Å; I820-A847 HydrophobicContact CG1-CB 4.35Å; N822-A847 HydrophobicContact CB-CB 4.28Å; I826-A847 HydrophobicContact CD1-CB 4.13Å; I826-A847 HydrophobicContact CG1-CB 4.39Å; F844-A847 HydrophobicContact CD1-CB 3.94Å; F844-A847 PolarHBondContact O-N 3.14Å |
| 848 | K | 92.4 | Very high | 88.3 | Confident | 169 Ų | 169 | 63.9 Ų | 63.9 | 74% | 0.735 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 146.2 | 170 | -67.3 | -176.2 | 177.1 | -177.1 | 0 | 109.3 | I820 Y821 | I820-K848 CarbonylContact C-O 3.6Å; I820-K848 VanDerWaalsContact CA-O 3.28Å; I820-K848 WeakPolarHBondContact CA-O 3.47Å; Y821-K848 PolarHBondContact N-O 3.36Å; Y821-K848 PolarHBondContact O-N 2.95Å |
| 849 | A | 90.3 | Very high | 88.2 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 62% | 0.62 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 145.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S819 | S819-A849 CarbonylContact O-C 3.51Å; S819-A849 WeakPolarHBondContact O-CA 3.46Å |
| 850 | F | 86.2 | Confident | 88.4 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.1 | 178 | -163 | -79 | 0 | 0 | 0 | 109.1 | S819 Y821 K853 D855 L856 E859 | S819-F850 PolarHBondContact O-N 3.22Å; Y821-F850 HydrophobicContact CD1-CD2 4.3Å; Y821-F850 HydrophobicContact CG-CD2 4.02Å; Y821-F850 HydrophobicContact CG-CE2 4.46Å; F850-K853 WeakPolarHBondContact O-CA 3.49Å; F850-D855 HydrophobicContact CE1-CB 4.13Å; F850-L856 HydrophobicContact CB-CD2 4.44Å; F850-L856 HydrophobicContact CD1-CB 3.8Å; F850-L856 HydrophobicContact CD2-CD1 4.08Å; F850-L856 HydrophobicContact CE1-CB 4.11Å; F850-L856 HydrophobicContact CE2-CD1 4.22Å; F850-L856 HydrophobicContact CG-CB 4.14Å; F850-L856 HydrophobicContact CG-CD1 4.26Å; F850-E859 HydrophobicContact CE2-CG 3.98Å; F850-E859 HydrophobicContact CZ-CG 3.74Å |
| 851 | E | 82.9 | Confident | 88.6 | Confident | 161 Ų | 161 | 64.9 Ų | 64.9 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -135.9 | 129.2 | -175.4 | -79 | -73.1 | -166.7 | 0 | 0 | 109.6 | ||
| 852 | P | 82.9 | Confident | 88.9 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | S | Bend | cis | -63.8 | 140.1 | -3.2 | -20 | 33.8 | 0 | 0 | 0 | 112.5 | D854 D855 | P852-D854 VanDerWaalsContact C-N 3.26Å; P852-D854 PolarHBondContact O-N 2.89Å; P852-D855 HydrophobicContact CB-CB 4.46Å; P852-D855 WeakPolarHBondContact CD-OD2 3.18Å; P852-D855 WeakPolarHBondContact CG-OD2 3.48Å; P852-D855 PolarHBondContact O-N 3.42Å |
| 853 | K | 82.4 | Confident | 89.2 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 27% | 0.265 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -56.1 | -38.9 | -172.9 | 84.7 | -177.7 | -173.3 | -174.7 | 0 | 113.9 | K816 S819 F850 D855 | K816-K853 PolarHBondContact O-NZ 2.84Å; S819-K853 VanDerWaalsContact CB-O 3.32Å; S819-K853 WeakPolarHBondContact CB-O 3.45Å; S819-K853 PolarHBondContact OG-O 3.28Å; F850-K853 WeakPolarHBondContact O-CA 3.49Å; K853-D855 VanDerWaalsContact C-N 3.35Å |
| 854 | D | 77.2 | Confident | 89.6 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -80.2 | -20.4 | -171.4 | -61.4 | -55.7 | 0 | 0 | 0 | 111.8 | P852 L856 L857 | P852-D854 VanDerWaalsContact C-N 3.26Å; P852-D854 PolarHBondContact O-N 2.89Å; D854-L856 PolarHBondContact O-N 3.35Å; D854-L857 WeakPolarHBondContact O-CB 3.37Å; D854-L857 WeakPolarHBondContact O-CG 3.34Å; D854-L857 PolarHBondContact O-N 2.82Å; D854-L857 VanDerWaalsContact O-N 3.1Å |
| 855 | D | 85 | Confident | 89.7 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -68.2 | -15.5 | 177.1 | -72.8 | 0.9 | 0 | 0 | 0 | 112.5 | F850 P852 K853 L857 L858 | F850-D855 HydrophobicContact CE1-CB 4.13Å; P852-D855 HydrophobicContact CB-CB 4.46Å; P852-D855 WeakPolarHBondContact CD-OD2 3.18Å; P852-D855 WeakPolarHBondContact CG-OD2 3.48Å; P852-D855 PolarHBondContact O-N 3.42Å; K853-D855 VanDerWaalsContact C-N 3.35Å; D855-L857 PolarHBondContact O-N 2.92Å; D855-L857 VanDerWaalsContact O-N 3.15Å; D855-L858 HydrophobicContact CB-CD1 4.4Å; D855-L858 WeakPolarHBondContact O-CA 3.42Å; D855-L858 VanDerWaalsContact O-CB 3.25Å; D855-L858 WeakPolarHBondContact O-CB 3.12Å; D855-L858 PolarHBondContact O-N 2.84Å |
| 856 | L | 88.7 | Confident | 89.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -62.1 | -18.2 | 170.7 | -177.3 | 58.9 | 0 | 0 | 0 | 112.5 | I788 V814 I820 Y821 F850 D854 L858 E859 | I788-L856 HydrophobicContact CD1-CD1 4.06Å; I788-L856 HydrophobicContact CG2-CG 4.36Å; V814-L856 HydrophobicContact CG2-CB 3.93Å; V814-L856 HydrophobicContact CG2-CD2 3.89Å; V814-L856 HydrophobicContact CG2-CG 3.99Å; I820-L856 WeakPolarHBondContact O-CD2 3.17Å; Y821-L856 HydrophobicContact CD2-CD1 3.66Å; Y821-L856 HydrophobicContact CE2-CD1 4.36Å; Y821-L856 HydrophobicContact CG-CD1 4.3Å; F850-L856 HydrophobicContact CB-CD2 4.44Å; F850-L856 HydrophobicContact CD1-CB 3.8Å; F850-L856 HydrophobicContact CD2-CD1 4.08Å; F850-L856 HydrophobicContact CE1-CB 4.11Å; F850-L856 HydrophobicContact CE2-CD1 4.22Å; F850-L856 HydrophobicContact CG-CB 4.14Å; F850-L856 HydrophobicContact CG-CD1 4.26Å; D854-L856 PolarHBondContact O-N 3.35Å; L856-L858 PolarHBondContact O-N 3.38Å; L856-E859 HydrophobicContact CD1-CB 4.23Å; L856-E859 HydrophobicContact CD1-CG 4.43Å |
| 857 | L | 86.5 | Confident | 89.8 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -69.5 | -19.3 | 169 | -66.8 | 175.9 | 0 | 0 | 0 | 113.7 | Q790 V814 D854 D855 L864 | Q790-L857 HydrophobicContact CB-CD2 3.83Å; Q790-L857 HydrophobicContact CG-CD2 4.04Å; V814-L857 HydrophobicContact CG2-CD2 4.32Å; V814-L857 HydrophobicContact CG2-CG 4.47Å; D854-L857 WeakPolarHBondContact O-CB 3.37Å; D854-L857 WeakPolarHBondContact O-CG 3.34Å; D854-L857 PolarHBondContact O-N 2.82Å; D854-L857 VanDerWaalsContact O-N 3.1Å; D855-L857 PolarHBondContact O-N 2.92Å; D855-L857 VanDerWaalsContact O-N 3.15Å; L857-L864 HydrophobicContact CD2-CD1 4.02Å; L857-L864 HydrophobicContact CD2-CD2 4.28Å |
| 858 | L | 88.1 | Confident | 89.3 | Confident | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -20.7 | -177.9 | -53.2 | -179.3 | 0 | 0 | 0 | 112.7 | D855 L856 N877 L880 M881 Q882 | D855-L858 HydrophobicContact CB-CD1 4.4Å; D855-L858 WeakPolarHBondContact O-CA 3.42Å; D855-L858 VanDerWaalsContact O-CB 3.25Å; D855-L858 WeakPolarHBondContact O-CB 3.12Å; D855-L858 PolarHBondContact O-N 2.84Å; L856-L858 PolarHBondContact O-N 3.38Å; L858-N877 HydrophobicContact CD2-CB 3.96Å; L858-L880 HydrophobicContact CD1-CB 4.01Å; L858-L880 HydrophobicContact CD1-CD1 3.94Å; L858-L880 HydrophobicContact CD2-CB 3.82Å; L858-L880 HydrophobicContact CG-CB 4.39Å; L858-M881 HydrophobicContact CD2-CG 3.89Å; L858-Q882 PolarHBondContact O-N 3.22Å |
| 859 | E | 91.1 | Very high | 88.4 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -63.7 | 158.9 | -172.8 | -98.2 | -66.4 | -172.7 | 0 | 0 | 114.1 | I788 F850 L856 C861 | I788-E859 HydrophobicContact CD1-CB 4.1Å; F850-E859 HydrophobicContact CE2-CG 3.98Å; F850-E859 HydrophobicContact CZ-CG 3.74Å; L856-E859 HydrophobicContact CD1-CB 4.23Å; L856-E859 HydrophobicContact CD1-CG 4.43Å; E859-C861 PolarHBondContact O-N 3.05Å; E859-C861 VanDerWaalsContact O-N 3.11Å |
| 860 | K | 92.9 | Very high | 88 | Confident | 146 Ų | 146 | 44.4 Ų | 44.4 | 64% | 0.635 | 24% | 0.236 | S | C | * | . | trans | -74.3 | 103.9 | -175 | -168.4 | -175.8 | 176.8 | -173 | 0 | 111.5 | I811 Q882 | I811-K860 WeakPolarHBondContact CD1-O 3.37Å; K860-Q882 HydrophobicContact CB-CB 4.27Å; K860-Q882 HydrophobicContact CG-CB 4.47Å | ||
| 861 | C | 94.7 | Very high | 87.9 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | trans | -128.8 | 165 | 166.1 | 65 | 0 | 0 | 0 | 0 | 111.2 | T786 I788 I811 E859 I863 A883 | T786-C861 WeakPolarHBondContact OG1-CA 3.3Å; I788-C861 HydrophobicContact CD1-CB 3.91Å; I788-C861 HydrophobicContact CG1-CB 3.89Å; I811-C861 HydrophobicContact CD1-CB 4.08Å; E859-C861 PolarHBondContact O-N 3.05Å; E859-C861 VanDerWaalsContact O-N 3.11Å; C861-I863 PolarHBondContact SG-O 3.02Å; C861-A883 WeakPolarHBondContact O-CA 3.32Å | ||
| 862 | D | 95.9 | Very high | 88 | Confident | 35 Ų | 35 | 37.1 Ų | 37.1 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -79.9 | -38.5 | 170.4 | -56.5 | -78.6 | 0 | 0 | 0 | 110.8 | L778 K785 T786 K884 I885 | L778-D862 HydrophobicContact CD1-CB 4.14Å; L778-D862 WeakPolarHBondContact CD2-OD1 3.4Å; K785-D862 HydrophobicContact CB-CB 4.2Å; K785-D862 HydrophobicContact CD-CB 4.29Å; T786-D862 PolarHBondContact N-OD2 3.4Å; T786-D862 WeakPolarHBondContact O-CB 3.44Å; T786-D862 PolarHBondContact O-N 2.84Å; T786-D862 PolarHBondContact OG1-N 3.3Å; T786-D862 VanDerWaalsContact OG1-N 3.1Å; T786-D862 PolarHBondContact OG1-OD2 3.49Å; D862-K884 WeakPolarHBondContact O-CB 3.3Å; D862-K884 PolarHBondContact O-N 2.66Å; D862-I885 PolarHBondContact O-N 2.93Å |
| 863 | I | 96.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123 | -175.1 | -42.8 | -177.4 | 0 | 0 | 0 | 110.9 | L763 L767 K785 T786 F787 I788 C861 I865 I885 | L763-I863 HydrophobicContact CD1-CD1 4.43Å; L763-I863 HydrophobicContact CD2-CD1 4.13Å; L763-I863 HydrophobicContact CD2-CG2 4.22Å; L767-I863 HydrophobicContact CD1-CD1 4.24Å; L767-I863 HydrophobicContact CD2-CD1 4.43Å; K785-I863 HydrophobicContact CD-CD1 4.3Å; T786-I863 PolarHBondContact O-N 2.87Å; F787-I863 CarbonylContact C-O 3.57Å; F787-I863 WeakPolarHBondContact CA-O 3.16Å; F787-I863 HydrophobicContact CB-CB 3.97Å; F787-I863 WeakPolarHBondContact CB-O 3.47Å; I788-I863 PolarHBondContact N-O 3.41Å; C861-I863 PolarHBondContact SG-O 3.02Å; I863-I865 HydrophobicContact CG2-CG1 4.17Å; I863-I885 CarbonylContact C-O 3.55Å; I863-I885 WeakPolarHBondContact CA-O 3.28Å; I863-I885 HydrophobicContact CG1-CB 4.35Å; I863-I885 HydrophobicContact CG1-CD1 4.3Å; I863-I885 HydrophobicContact CG2-CB 4.25Å; I863-I885 HydrophobicContact CG2-CG2 4.31Å |
| 864 | L | 96.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.2 | 167.2 | -176.8 | 69.6 | 0 | 0 | 0 | 110.3 | I788 L857 P866 I873 M881 A883 I885 I886 A887 | I788-L864 HydrophobicContact CB-CD1 3.82Å; I788-L864 HydrophobicContact CG2-CD1 3.72Å; L857-L864 HydrophobicContact CD2-CD1 4.02Å; L857-L864 HydrophobicContact CD2-CD2 4.28Å; L864-P866 WeakPolarHBondContact O-CD 3.49Å; L864-I873 HydrophobicContact CD2-CD1 4.33Å; L864-M881 HydrophobicContact CD2-CE 3.27Å; L864-A883 HydrophobicContact CB-CB 3.83Å; L864-I885 PolarHBondContact N-O 3.42Å; L864-I886 HydrophobicContact CB-CG1 4.45Å; L864-I886 WeakPolarHBondContact O-CA 3.34Å; L864-A887 PolarHBondContact O-N 3.05Å |
| 865 | I | 96.5 | Very high | 89 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 89.2 | 179.3 | -57.5 | 173.1 | 0 | 0 | 0 | 109 | L759 F787 I788 V789 Q790 I863 A867 A887 A889 | L759-I865 HydrophobicContact CD1-CG2 3.64Å; L759-I865 HydrophobicContact CD2-CD1 4.2Å; F787-I865 HydrophobicContact CD2-CD1 4.05Å; I788-I865 PolarHBondContact O-N 2.92Å; V789-I865 WeakPolarHBondContact CA-O 3.02Å; V789-I865 HydrophobicContact CB-CB 4.47Å; V789-I865 HydrophobicContact CG2-CB 4Å; V789-I865 HydrophobicContact CG2-CG2 3.95Å; Q790-I865 PolarHBondContact N-O 3.33Å; I863-I865 HydrophobicContact CG2-CG1 4.17Å; I865-A867 PolarHBondContact O-N 2.96Å; I865-A887 HydrophobicContact CG1-CB 4.43Å; I865-A889 HydrophobicContact CG2-CB 3.84Å |
| 866 | P | 94.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 113.9 | 170.8 | 29.2 | -33.2 | 0 | 0 | 0 | 110.2 | Q790 L864 I873 I886 A887 A889 A890 P893 | Q790-P866 VanDerWaalsContact OE1-CA 3.32Å; L864-P866 WeakPolarHBondContact O-CD 3.49Å; P866-I873 HydrophobicContact CB-CD1 4.45Å; P866-I873 HydrophobicContact CG-CD1 4.13Å; P866-I886 HydrophobicContact CG-CG2 4.1Å; P866-A887 WeakPolarHBondContact CD-O 3.4Å; P866-A889 CarbonylContact O-C 3.53Å; P866-A889 WeakPolarHBondContact O-CA 3.25Å; P866-A889 WeakPolarHBondContact O-CB 3.31Å; P866-A889 PolarHBondContact O-N 3.49Å; P866-A890 PolarHBondContact O-N 3.4Å; P866-P893 HydrophobicContact CB-CB 3.91Å; P866-P893 HydrophobicContact CB-CG 4.33Å; P866-P893 HydrophobicContact CG-CB 4.05Å; P866-P893 HydrophobicContact CG-CG 3.96Å |
| 867 | A | 91.2 | Very high | 88.8 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | trans | -125.4 | 5.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q790 V795 I865 A889 | Q790-A867 CarbonylContact O-C 3.6Å; Q790-A867 VanDerWaalsContact O-C 3.28Å; Q790-A867 WeakPolarHBondContact O-CA 3.2Å; Q790-A867 VanDerWaalsContact O-CB 3.24Å; Q790-A867 WeakPolarHBondContact O-CB 2.94Å; Q790-A867 PolarHBondContact O-N 2.78Å; Q790-A867 VanDerWaalsContact OE1-N 3.09Å; V795-A867 HydrophobicContact CB-CB 4.46Å; I865-A867 PolarHBondContact O-N 2.96Å; A867-A889 HydrophobicContact CB-CB 3.62Å | ||
| 868 | A | 82.5 | Confident | 88.9 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 31% | 0.314 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -130.2 | 132.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q790 | Q790-A868 PolarHBondContact NE2-O 3.17Å; Q790-A868 PolarHBondContact O-N 2.78Å; Q790-A868 VanDerWaalsContact O-N 3.15Å; Q790-A868 PolarHBondContact OE1-O 3.44Å |
| 869 | G | 74.9 | Confident | 88.8 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 71.8 | 164.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A890 | G869-A890 VanDerWaalsContact O-CB 3.31Å; G869-A890 WeakPolarHBondContact O-CB 3.43Å |
| 870 | E | 80.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 42 Ų | 42 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -93.6 | 160.3 | 164.1 | 48.8 | -72.8 | 110.8 | 0 | 0 | 109.9 | Y549 R634 A872 | Y549-E870 HydrophobicContact CD1-CB 4.44Å; Y549-E870 HydrophobicContact CD1-CG 3.98Å; Y549-E870 HydrophobicContact CE1-CB 3.68Å; Y549-E870 HydrophobicContact CE1-CG 3.53Å; R634-E870 IonicContact CZ-OE2 3.34Å; R634-E870 IonicContact NH1-OE2 2.71Å; R634-E870 PolarHBondContact NH1-OE2 2.87Å; R634-E870 IonicContact NH2-OE2 3.06Å; E870-A872 PolarHBondContact O-N 2.82Å; E870-A872 VanDerWaalsContact O-N 3.14Å |
| 871 | K | 84.9 | Confident | 88.6 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 15% | 0.152 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 55.4 | 31.2 | 174.8 | -53.7 | -176.7 | -76.2 | 171.5 | 0 | 115.2 | D546 P547 M552 R874 G892 P893 T895 | D546-K871 WeakPolarHBondContact OD1-CD 3.16Å; D546-K871 WeakPolarHBondContact OD1-CE 3.3Å; D546-K871 IonicContact OD1-NZ 2.92Å; D546-K871 PolarHBondContact OD1-NZ 2.65Å; D546-K871 IonicContact OD2-NZ 2.84Å; D546-K871 PolarHBondContact OD2-NZ 2.88Å; P547-K871 HydrophobicContact CG-CD 4.25Å; P547-K871 WeakPolarHBondContact O-CD 3.33Å; P547-K871 PolarHBondContact O-NZ 2.98Å; M552-K871 HydrophobicContact CE-CG 4.37Å; M552-K871 HydrophobicContact SD-CG 4.34Å; K871-R874 VanDerWaalsContact O-CG 3.23Å; K871-R874 WeakPolarHBondContact O-CG 3.28Å; K871-G892 PolarHBondContact N-O 3.26Å; K871-P893 CarbonylContact C-O 3.57Å; K871-P893 WeakPolarHBondContact CA-O 2.97Å; K871-T895 HydrophobicContact CB-CG2 3.97Å; K871-T895 HydrophobicContact CD-CG2 4.5Å; K871-T895 HydrophobicContact CG-CG2 4.01Å |
| 872 | A | 85 | Confident | 88.4 | Confident | 14 Ų | 14 | 40 Ų | 40 | 12% | 0.116 | 21% | 0.209 | C | C | . | . | trans | -68.8 | -33.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E870 N877 P893 | E870-A872 PolarHBondContact O-N 2.82Å; E870-A872 VanDerWaalsContact O-N 3.14Å; A872-N877 PolarHBondContact O-ND2 2.81Å; A872-P893 PolarHBondContact N-O 3.04Å | ||
| 873 | I | 90.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -107.6 | 118.6 | 179.3 | -54 | 170.1 | 0 | 0 | 0 | 108.4 | L864 P866 N877 A878 M881 I886 P893 T894 T895 A898 L902 | L864-I873 HydrophobicContact CD2-CD1 4.33Å; P866-I873 HydrophobicContact CB-CD1 4.45Å; P866-I873 HydrophobicContact CG-CD1 4.13Å; I873-N877 WeakPolarHBondContact CA-OD1 3.47Å; I873-A878 HydrophobicContact CG2-CB 4.24Å; I873-M881 HydrophobicContact CD1-CE 4.04Å; I873-M881 HydrophobicContact CG1-CE 4.42Å; I873-M881 HydrophobicContact CG1-SD 4.43Å; I873-M881 HydrophobicContact CG2-CE 4.37Å; I873-M881 HydrophobicContact CG2-SD 3.5Å; I873-M881 WeakPolarHBondContact CG2-SD 3.38Å; I873-I886 HydrophobicContact CD1-CD1 4.39Å; I873-I886 HydrophobicContact CD1-CG2 4.02Å; I873-P893 PolarHBondContact N-O 3.29Å; I873-T894 HydrophobicContact CB-CG2 4.3Å; I873-T894 HydrophobicContact CG2-CG2 4.21Å; I873-T895 PolarHBondContact O-N 2.94Å; I873-A898 HydrophobicContact CG2-CB 3.92Å; I873-L902 HydrophobicContact CG2-CD1 3.98Å |
| 874 | R | 87 | Confident | 88.3 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 28% | 0.279 | 22% | 0.218 | S | C | . | . | trans | -135.6 | 178 | -164.4 | -69.5 | -169.6 | -47.4 | -77.2 | -6.8 | 111.6 | N545 K871 D876 N877 A878 T895 | N545-R874 WeakPolarHBondContact O-CD 3.28Å; K871-R874 VanDerWaalsContact O-CG 3.23Å; K871-R874 WeakPolarHBondContact O-CG 3.28Å; R874-D876 VanDerWaalsContact CB-OD1 3.22Å; R874-D876 WeakPolarHBondContact CB-OD1 3.49Å; R874-D876 IonicContact CZ-OD1 3.12Å; R874-D876 IonicContact CZ-OD2 2.86Å; R874-D876 IonicContact NE-OD1 2.65Å; R874-D876 PolarHBondContact NE-OD1 3.29Å; R874-D876 IonicContact NE-OD2 3.79Å; R874-D876 PolarHBondContact NE-OD2 2.88Å; R874-D876 IonicContact NH2-OD1 2.88Å; R874-D876 PolarHBondContact NH2-OD1 3.4Å; R874-D876 IonicContact NH2-OD2 2.76Å; R874-D876 PolarHBondContact NH2-OD2 3.13Å; R874-D876 PolarHBondContact O-N 3.4Å; R874-N877 PolarHBondContact N-OD1 3.37Å; R874-N877 PolarHBondContact O-N 2.98Å; R874-N877 PolarHBondContact O-OD1 2.78Å; R874-A878 WeakPolarHBondContact O-CB 3.25Å; R874-A878 PolarHBondContact O-N 3.39Å; R874-T895 HydrophobicContact CG-CG2 4Å | ||
| 875 | K | 84.8 | Confident | 88.3 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.7 | -177 | -164.6 | -177.4 | -172.6 | -177.4 | 0 | 112.3 | E543 N545 A897 I901 | E543-K875 WeakPolarHBondContact O-CD 3.29Å; E543-K875 PolarHBondContact O-NZ 3.48Å; N545-K875 VanDerWaalsContact OD1-CB 3.24Å; N545-K875 WeakPolarHBondContact OD1-CB 3.02Å; N545-K875 PolarHBondContact OD1-N 2.76Å; N545-K875 VanDerWaalsContact OD1-N 3.08Å; K875-A897 HydrophobicContact CB-CB 3.85Å; K875-A897 HydrophobicContact CD-CB 4.19Å; K875-A897 HydrophobicContact CG-CB 3.99Å; K875-I901 HydrophobicContact CG-CD1 4.24Å |
| 876 | D | 83 | Confident | 88.3 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -47.6 | 178.5 | 50.5 | 23.1 | 0 | 0 | 0 | 113.2 | N545 R874 | N545-D876 PolarHBondContact ND2-OD2 3.08Å; R874-D876 VanDerWaalsContact CB-OD1 3.22Å; R874-D876 WeakPolarHBondContact CB-OD1 3.49Å; R874-D876 IonicContact CZ-OD1 3.12Å; R874-D876 IonicContact CZ-OD2 2.86Å; R874-D876 IonicContact NE-OD1 2.65Å; R874-D876 PolarHBondContact NE-OD1 3.29Å; R874-D876 IonicContact NE-OD2 3.79Å; R874-D876 PolarHBondContact NE-OD2 2.88Å; R874-D876 IonicContact NH2-OD1 2.88Å; R874-D876 PolarHBondContact NH2-OD1 3.4Å; R874-D876 IonicContact NH2-OD2 2.76Å; R874-D876 PolarHBondContact NH2-OD2 3.13Å; R874-D876 PolarHBondContact O-N 3.4Å |
| 877 | N | 88.2 | Confident | 88.4 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -31.5 | -172.5 | 66.8 | 13.7 | 0 | 0 | 0 | 114 | L858 A872 I873 R874 Q879 L880 M881 | L858-N877 HydrophobicContact CD2-CB 3.96Å; A872-N877 PolarHBondContact O-ND2 2.81Å; I873-N877 WeakPolarHBondContact CA-OD1 3.47Å; R874-N877 PolarHBondContact N-OD1 3.37Å; R874-N877 PolarHBondContact O-N 2.98Å; R874-N877 PolarHBondContact O-OD1 2.78Å; N877-Q879 PolarHBondContact O-N 3.3Å; N877-Q879 VanDerWaalsContact O-N 3.08Å; N877-L880 PolarHBondContact O-N 3.05Å; N877-M881 WeakPolarHBondContact O-CG 3.45Å; N877-M881 PolarHBondContact O-N 3Å |
| 878 | A | 87.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I873 R874 A898 I901 L902 K905 | I873-A878 HydrophobicContact CG2-CB 4.24Å; R874-A878 WeakPolarHBondContact O-CB 3.25Å; R874-A878 PolarHBondContact O-N 3.39Å; A878-A898 HydrophobicContact CB-CB 3.63Å; A878-I901 HydrophobicContact CB-CB 4.31Å; A878-I901 HydrophobicContact CB-CD1 4.49Å; A878-I901 HydrophobicContact CB-CG2 4.22Å; A878-L902 HydrophobicContact CB-CD1 4.26Å; A878-L902 HydrophobicContact CB-CD2 4.46Å; A878-L902 HydrophobicContact CB-CG 4.11Å; A878-K905 PolarHBondContact O-NZ 3.46Å |
| 879 | Q | 87.1 | Confident | 89 | Confident | 141 Ų | 141 | 39.7 Ų | 39.7 | 66% | 0.659 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -31.9 | 178.1 | -168.6 | 159.7 | -21.1 | 0 | 0 | 112.2 | N877 I901 K905 | N877-Q879 PolarHBondContact O-N 3.3Å; N877-Q879 VanDerWaalsContact O-N 3.08Å; Q879-I901 HydrophobicContact CB-CG2 4.2Å; Q879-K905 PolarHBondContact O-NZ 2.68Å |
| 880 | L | 88.9 | Confident | 89.6 | Confident | 113 Ų | 113 | 38.7 Ų | 38.7 | 59% | 0.592 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -26.5 | 179.7 | -63.2 | 175.4 | 0 | 0 | 0 | 113.7 | L858 N877 Q882 | L858-L880 HydrophobicContact CD1-CB 4.01Å; L858-L880 HydrophobicContact CD1-CD1 3.94Å; L858-L880 HydrophobicContact CD2-CB 3.82Å; L858-L880 HydrophobicContact CG-CB 4.39Å; N877-L880 PolarHBondContact O-N 3.05Å; L880-Q882 PolarHBondContact O-N 3.33Å |
| 881 | M | 90.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | trans | -53.3 | 134.4 | -177.2 | -67.7 | 176.6 | 74 | 0 | 0 | 114.1 | L858 L864 I873 N877 I886 L902 K905 | L858-M881 HydrophobicContact CD2-CG 3.89Å; L864-M881 HydrophobicContact CD2-CE 3.27Å; I873-M881 HydrophobicContact CD1-CE 4.04Å; I873-M881 HydrophobicContact CG1-CE 4.42Å; I873-M881 HydrophobicContact CG1-SD 4.43Å; I873-M881 HydrophobicContact CG2-CE 4.37Å; I873-M881 HydrophobicContact CG2-SD 3.5Å; I873-M881 WeakPolarHBondContact CG2-SD 3.38Å; N877-M881 WeakPolarHBondContact O-CG 3.45Å; N877-M881 PolarHBondContact O-N 3Å; M881-I886 HydrophobicContact CE-CD1 3.73Å; M881-I886 HydrophobicContact CE-CG1 4.33Å; M881-L902 HydrophobicContact SD-CD2 4.2Å; M881-K905 PolarHBondContact O-NZ 3.15Å | ||
| 882 | Q | 91 | Very high | 89.9 | Confident | 103 Ų | 103 | 36.1 Ų | 36.1 | 48% | 0.481 | 18% | 0.177 | S | C | . | . | trans | -101.5 | -7.5 | 179.4 | -65.6 | -177.9 | 67.8 | 0 | 0 | 114.6 | L858 K860 L880 | L858-Q882 PolarHBondContact O-N 3.22Å; K860-Q882 HydrophobicContact CB-CB 4.27Å; K860-Q882 HydrophobicContact CG-CB 4.47Å; L880-Q882 PolarHBondContact O-N 3.33Å | ||
| 883 | A | 94.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | trans | -58.3 | 140.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C861 L864 V907 | C861-A883 WeakPolarHBondContact O-CA 3.32Å; L864-A883 HydrophobicContact CB-CB 3.83Å; A883-V907 WeakPolarHBondContact O-CG2 3.31Å | ||
| 884 | K | 95.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 35.4 Ų | 35.4 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -93.1 | -30.8 | 178.7 | -75 | -68.7 | -169.7 | 160.5 | 0 | 114 | I776 L778 D862 L908 | I776-K884 PolarHBondContact O-NZ 3.39Å; L778-K884 HydrophobicContact CD1-CB 3.88Å; L778-K884 HydrophobicContact CD1-CG 4.47Å; L778-K884 HydrophobicContact CG-CB 4.45Å; D862-K884 WeakPolarHBondContact O-CB 3.3Å; D862-K884 PolarHBondContact O-N 2.66Å; K884-L908 PolarHBondContact O-N 3.42Å |
| 885 | I | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136 | 175.6 | -51.8 | -179.3 | 0 | 0 | 0 | 108.1 | L763 L767 M773 I776 L778 D862 I863 L864 L908 L910 | L763-I885 HydrophobicContact CD1-CG2 4.08Å; L767-I885 HydrophobicContact CD2-CD1 3.52Å; M773-I885 HydrophobicContact CE-CD1 3.88Å; M773-I885 HydrophobicContact SD-CD1 4.34Å; I776-I885 HydrophobicContact CD1-CD1 3.93Å; I776-I885 HydrophobicContact CD1-CG1 3.64Å; L778-I885 HydrophobicContact CD1-CD1 4.3Å; L778-I885 HydrophobicContact CD1-CG1 4.41Å; D862-I885 PolarHBondContact O-N 2.93Å; I863-I885 CarbonylContact C-O 3.55Å; I863-I885 WeakPolarHBondContact CA-O 3.28Å; I863-I885 HydrophobicContact CG1-CB 4.35Å; I863-I885 HydrophobicContact CG1-CD1 4.3Å; I863-I885 HydrophobicContact CG2-CB 4.25Å; I863-I885 HydrophobicContact CG2-CG2 4.31Å; L864-I885 PolarHBondContact N-O 3.42Å; I885-L908 CarbonylContact C-O 3.55Å; I885-L908 WeakPolarHBondContact CA-O 3.49Å; I885-L908 HydrophobicContact CD1-CD2 4.36Å; I885-L908 HydrophobicContact CG1-CB 4.31Å; I885-L908 HydrophobicContact CG1-CD2 4.27Å; I885-L908 HydrophobicContact CG2-CD2 4.38Å; I885-L908 HydrophobicContact CG2-CG 4.47Å; I885-L910 HydrophobicContact CG2-CD1 4.1Å; I885-L910 HydrophobicContact CG2-CG 4.25Å |
| 886 | I | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.6 | 171.2 | -64.2 | 168.8 | 0 | 0 | 0 | 107.4 | L864 P866 I873 M881 E888 L902 V907 L908 L910 | L864-I886 HydrophobicContact CB-CG1 4.45Å; L864-I886 WeakPolarHBondContact O-CA 3.34Å; P866-I886 HydrophobicContact CG-CG2 4.1Å; I873-I886 HydrophobicContact CD1-CD1 4.39Å; I873-I886 HydrophobicContact CD1-CG2 4.02Å; M881-I886 HydrophobicContact CE-CD1 3.73Å; M881-I886 HydrophobicContact CE-CG1 4.33Å; I886-E888 HydrophobicContact CG2-CG 4.28Å; I886-L902 HydrophobicContact CD1-CD1 3.7Å; I886-L902 HydrophobicContact CD1-CD2 3.96Å; I886-L902 HydrophobicContact CD1-CG 4.38Å; I886-V907 HydrophobicContact CD1-CG1 3.76Å; I886-V907 HydrophobicContact CG1-CG1 3.93Å; I886-L908 PolarHBondContact N-O 3.4Å; I886-L910 PolarHBondContact O-N 3.12Å |
| 887 | A | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 101.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L759 L864 I865 P866 A889 I915 | L759-A887 HydrophobicContact CD1-CB 4.22Å; L759-A887 HydrophobicContact CG-CB 4.48Å; L864-A887 PolarHBondContact O-N 3.05Å; I865-A887 HydrophobicContact CG1-CB 4.43Å; P866-A887 WeakPolarHBondContact CD-O 3.4Å; A887-A889 PolarHBondContact O-N 3.41Å; A887-I915 HydrophobicContact CB-CG2 4.48Å |
| 888 | E | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -74.6 | 92.9 | -168.7 | -61.8 | -171.5 | 143.6 | 0 | 0 | 113 | I886 P893 T894 L910 P911 D912 I915 R1020 | I886-E888 HydrophobicContact CG2-CG 4.28Å; E888-P893 HydrophobicContact CB-CG 3.78Å; E888-P893 HydrophobicContact CG-CG 3.62Å; E888-T894 WeakPolarHBondContact OE1-CB 3.23Å; E888-T894 PolarHBondContact OE1-OG1 2.95Å; E888-L910 PolarHBondContact N-O 3.36Å; E888-L910 VanDerWaalsContact N-O 3.11Å; E888-P911 WeakPolarHBondContact OE2-CA 3.34Å; E888-D912 HydrophobicContact CB-CB 3.87Å; E888-D912 PolarHBondContact OE2-N 3.27Å; E888-I915 WeakPolarHBondContact O-CG2 3.42Å; E888-R1020 IonicContact OE1-CZ 2.85Å; E888-R1020 IonicContact OE1-NH1 2.63Å; E888-R1020 PolarHBondContact OE1-NH1 2.77Å; E888-R1020 IonicContact OE1-NH2 2.76Å; E888-R1020 PolarHBondContact OE1-NH2 2.95Å; E888-R1020 IonicContact OE2-CZ 2.83Å; E888-R1020 IonicContact OE2-NH1 3.61Å; E888-R1020 PolarHBondContact OE2-NH1 2.78Å; E888-R1020 IonicContact OE2-NH2 3.56Å; E888-R1020 PolarHBondContact OE2-NH2 3.46Å | ||
| 889 | A | 91.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 24 Ų | 24 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | trans | -78.9 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L759 V795 I865 P866 A867 A887 N916 | L759-A889 HydrophobicContact CD1-CB 3.73Å; V795-A889 HydrophobicContact CG1-CB 3.63Å; I865-A889 HydrophobicContact CG2-CB 3.84Å; P866-A889 CarbonylContact O-C 3.53Å; P866-A889 WeakPolarHBondContact O-CA 3.25Å; P866-A889 WeakPolarHBondContact O-CB 3.31Å; P866-A889 PolarHBondContact O-N 3.49Å; A867-A889 HydrophobicContact CB-CB 3.62Å; A887-A889 PolarHBondContact O-N 3.41Å; A889-N916 WeakPolarHBondContact O-CB 3.32Å | ||
| 890 | A | 87.4 | Confident | 91.8 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -76.7 | 172.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P866 G869 P893 D912 N916 | P866-A890 PolarHBondContact O-N 3.4Å; G869-A890 VanDerWaalsContact O-CB 3.31Å; G869-A890 WeakPolarHBondContact O-CB 3.43Å; A890-P893 HydrophobicContact CB-CB 4.27Å; A890-P893 HydrophobicContact CB-CG 4.42Å; A890-D912 WeakPolarHBondContact O-CB 3.34Å; A890-N916 PolarHBondContact O-ND2 3.5Å |
| 891 | N | 86.1 | Confident | 91.9 | Very high | 32 Ų | 32 | 16.9 Ų | 16.9 | 17% | 0.171 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -92.5 | 133.7 | 170.2 | -60.8 | -76.4 | 0 | 0 | 0 | 109.1 | Y549 L647 L650 K654 | Y549-N891 WeakPolarHBondContact OH-CB 3.35Å; Y549-N891 PolarHBondContact OH-O 3.42Å; L647-N891 HydrophobicContact CD2-CB 3.95Å; L650-N891 HydrophobicContact CD1-CB 4.25Å; K654-N891 PolarHBondContact NZ-OD1 2.93Å |
| 892 | G | 87.4 | Confident | 92.1 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 48.1 | 43.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | K871 T894 D912 | K871-G892 PolarHBondContact N-O 3.26Å; G892-T894 VanDerWaalsContact C-N 3.29Å; G892-T894 PolarHBondContact O-N 3.26Å; G892-D912 PolarHBondContact N-OD2 3.4Å |
| 893 | P | 90.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -70.4 | -24.3 | -179.1 | 30.1 | -34.4 | 0 | 0 | 0 | 113 | P866 K871 A872 I873 E888 A890 | P866-P893 HydrophobicContact CB-CB 3.91Å; P866-P893 HydrophobicContact CB-CG 4.33Å; P866-P893 HydrophobicContact CG-CB 4.05Å; P866-P893 HydrophobicContact CG-CG 3.96Å; K871-P893 CarbonylContact C-O 3.57Å; K871-P893 WeakPolarHBondContact CA-O 2.97Å; A872-P893 PolarHBondContact N-O 3.04Å; I873-P893 PolarHBondContact N-O 3.29Å; E888-P893 HydrophobicContact CB-CG 3.78Å; E888-P893 HydrophobicContact CG-CG 3.62Å; A890-P893 HydrophobicContact CB-CB 4.27Å; A890-P893 HydrophobicContact CB-CG 4.42Å | ||
| 894 | T | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -107 | 123 | -176.3 | -47.1 | 0 | 0 | 0 | 0 | 112 | Y556 I873 E888 G892 A898 D899 L902 | Y556-T894 PolarHBondContact OH-O 3.05Å; I873-T894 HydrophobicContact CB-CG2 4.3Å; I873-T894 HydrophobicContact CG2-CG2 4.21Å; E888-T894 WeakPolarHBondContact OE1-CB 3.23Å; E888-T894 PolarHBondContact OE1-OG1 2.95Å; G892-T894 VanDerWaalsContact C-N 3.29Å; G892-T894 PolarHBondContact O-N 3.26Å; T894-A898 HydrophobicContact CG2-CB 3.67Å; T894-D899 HydrophobicContact CG2-CB 4.21Å; T894-L902 HydrophobicContact CG2-CD1 4.04Å |
| 895 | T | 91.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -75.2 | 158.4 | 175.1 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | P547 M552 Y556 K871 I873 R874 A897 A898 D899 | P547-T895 HydrophobicContact CG-CG2 4.28Å; M552-T895 HydrophobicContact SD-CG2 4.48Å; Y556-T895 VanDerWaalsContact OH-C 3.28Å; Y556-T895 PolarHBondContact OH-O 2.89Å; K871-T895 HydrophobicContact CB-CG2 3.97Å; K871-T895 HydrophobicContact CD-CG2 4.5Å; K871-T895 HydrophobicContact CG-CG2 4.01Å; I873-T895 PolarHBondContact O-N 2.94Å; R874-T895 HydrophobicContact CG-CG2 4Å; T895-A897 PolarHBondContact O-N 3.46Å; T895-A898 WeakPolarHBondContact O-CB 3.48Å; T895-A898 PolarHBondContact O-N 2.89Å; T895-D899 PolarHBondContact O-N 3.2Å | ||
| 896 | P | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -30.6 | -177.2 | -24.7 | 37.1 | 0 | 0 | 0 | 113.6 | M541 D542 M552 Y555 Y556 K900 | M541-P896 HydrophobicContact CG-CG 4.34Å; D542-P896 HydrophobicContact CB-CB 4.43Å; M552-P896 HydrophobicContact CG-CG 3.82Å; Y555-P896 HydrophobicContact CD1-CB 3.67Å; Y555-P896 HydrophobicContact CD1-CG 3.8Å; Y555-P896 HydrophobicContact CE1-CB 3.58Å; Y555-P896 HydrophobicContact CE1-CG 4.24Å; Y555-P896 HydrophobicContact CG-CB 4.48Å; Y555-P896 HydrophobicContact CG-CG 4.44Å; Y556-P896 HydrophobicContact CE1-CB 4.25Å; Y556-P896 HydrophobicContact CE1-CG 4.21Å; Y556-P896 HydrophobicContact CE2-CG 4.37Å; Y556-P896 WeakPolarHBondContact OH-CA 3.34Å; P896-K900 VanDerWaalsContact O-CB 3.29Å; P896-K900 WeakPolarHBondContact O-CB 3.44Å; P896-K900 PolarHBondContact O-N 3.25Å; P896-K900 VanDerWaalsContact O-N 3.1Å |
| 897 | A | 88.1 | Confident | 91.5 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | D542 K875 T895 I901 | D542-A897 WeakPolarHBondContact O-CA 3.44Å; D542-A897 WeakPolarHBondContact O-CB 3.46Å; K875-A897 HydrophobicContact CB-CB 3.85Å; K875-A897 HydrophobicContact CD-CB 4.19Å; K875-A897 HydrophobicContact CG-CB 3.99Å; T895-A897 PolarHBondContact O-N 3.46Å; A897-I901 WeakPolarHBondContact O-CD1 3.42Å; A897-I901 WeakPolarHBondContact O-CG1 3.38Å; A897-I901 PolarHBondContact O-N 2.96Å |
| 898 | A | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I873 A878 T894 T895 K900 I901 L902 | I873-A898 HydrophobicContact CG2-CB 3.92Å; A878-A898 HydrophobicContact CB-CB 3.63Å; T894-A898 HydrophobicContact CG2-CB 3.67Å; T895-A898 WeakPolarHBondContact O-CB 3.48Å; T895-A898 PolarHBondContact O-N 2.89Å; A898-K900 VanDerWaalsContact C-N 3.28Å; A898-K900 PolarHBondContact O-N 3.18Å; A898-I901 WeakPolarHBondContact O-CA 3.25Å; A898-I901 WeakPolarHBondContact O-CB 3.47Å; A898-I901 PolarHBondContact O-N 3.33Å; A898-L902 HydrophobicContact CB-CD1 4.38Å; A898-L902 WeakPolarHBondContact O-CB 3.39Å; A898-L902 WeakPolarHBondContact O-CG 3.17Å; A898-L902 PolarHBondContact O-N 2.99Å |
| 899 | D | 93.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.4 | -45.7 | 179 | -153 | 76.7 | 0 | 0 | 0 | 110.7 | Y556 T894 T895 I901 L902 L903 I909 R1020 | Y556-D899 HydrophobicContact CE1-CB 4.42Å; T894-D899 HydrophobicContact CG2-CB 4.21Å; T895-D899 PolarHBondContact O-N 3.2Å; D899-I901 VanDerWaalsContact C-N 3.32Å; D899-I901 PolarHBondContact O-N 2.66Å; D899-L902 PolarHBondContact O-N 3.38Å; D899-L903 WeakPolarHBondContact O-CB 3.22Å; D899-L903 VanDerWaalsContact O-CG 3.3Å; D899-L903 WeakPolarHBondContact O-CG 3.44Å; D899-L903 PolarHBondContact O-N 2.9Å; D899-I909 VanDerWaalsContact OD1-CD1 3.31Å; D899-I909 WeakPolarHBondContact OD1-CD1 3.43Å; D899-R1020 IonicContact OD1-CZ 3.1Å; D899-R1020 VanDerWaalsContact OD1-CZ 3.23Å; D899-R1020 IonicContact OD1-NE 2.74Å; D899-R1020 PolarHBondContact OD1-NE 2.94Å; D899-R1020 IonicContact OD1-NH2 3.55Å; D899-R1020 PolarHBondContact OD1-NH2 2.94Å; D899-R1020 IonicContact OD2-NE 3.79Å |
| 900 | K | 91.6 | Very high | 91.7 | Very high | 75 Ų | 75 | 25.5 Ų | 25.5 | 33% | 0.326 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.2 | -28.1 | 174 | -178.3 | 178.7 | 173 | -172.5 | 0 | 114.4 | D542 P896 A898 K904 | D542-K900 HydrophobicContact CB-CD 3.98Å; D542-K900 WeakPolarHBondContact OD2-CD 3.25Å; D542-K900 WeakPolarHBondContact OD2-CE 3.48Å; D542-K900 IonicContact OD2-NZ 2.62Å; D542-K900 PolarHBondContact OD2-NZ 2.83Å; P896-K900 VanDerWaalsContact O-CB 3.29Å; P896-K900 WeakPolarHBondContact O-CB 3.44Å; P896-K900 PolarHBondContact O-N 3.25Å; P896-K900 VanDerWaalsContact O-N 3.1Å; A898-K900 VanDerWaalsContact C-N 3.28Å; A898-K900 PolarHBondContact O-N 3.18Å; K900-K904 WeakPolarHBondContact O-CG 3.09Å |
| 901 | I | 92.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 25.1 Ų | 25.1 | 16% | 0.159 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -82.9 | -43.9 | 175.9 | -69.3 | 164.9 | 0 | 0 | 0 | 110.7 | K875 A878 Q879 A897 A898 D899 K904 K905 | K875-I901 HydrophobicContact CG-CD1 4.24Å; A878-I901 HydrophobicContact CB-CB 4.31Å; A878-I901 HydrophobicContact CB-CD1 4.49Å; A878-I901 HydrophobicContact CB-CG2 4.22Å; Q879-I901 HydrophobicContact CB-CG2 4.2Å; A897-I901 WeakPolarHBondContact O-CD1 3.42Å; A897-I901 WeakPolarHBondContact O-CG1 3.38Å; A897-I901 PolarHBondContact O-N 2.96Å; A898-I901 WeakPolarHBondContact O-CA 3.25Å; A898-I901 WeakPolarHBondContact O-CB 3.47Å; A898-I901 PolarHBondContact O-N 3.33Å; D899-I901 VanDerWaalsContact C-N 3.32Å; D899-I901 PolarHBondContact O-N 2.66Å; I901-K904 WeakPolarHBondContact O-CB 3.45Å; I901-K904 PolarHBondContact O-N 2.9Å; I901-K905 HydrophobicContact CG2-CD 4.07Å; I901-K905 PolarHBondContact O-N 3.37Å |
| 902 | L | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.8 | -40.2 | -176 | -70.4 | 163.6 | 0 | 0 | 0 | 112.1 | I873 A878 M881 I886 T894 A898 D899 K904 K905 N906 V907 I909 | I873-L902 HydrophobicContact CG2-CD1 3.98Å; A878-L902 HydrophobicContact CB-CD1 4.26Å; A878-L902 HydrophobicContact CB-CD2 4.46Å; A878-L902 HydrophobicContact CB-CG 4.11Å; M881-L902 HydrophobicContact SD-CD2 4.2Å; I886-L902 HydrophobicContact CD1-CD1 3.7Å; I886-L902 HydrophobicContact CD1-CD2 3.96Å; I886-L902 HydrophobicContact CD1-CG 4.38Å; T894-L902 HydrophobicContact CG2-CD1 4.04Å; A898-L902 HydrophobicContact CB-CD1 4.38Å; A898-L902 WeakPolarHBondContact O-CB 3.39Å; A898-L902 WeakPolarHBondContact O-CG 3.17Å; A898-L902 PolarHBondContact O-N 2.99Å; D899-L902 PolarHBondContact O-N 3.38Å; L902-K904 VanDerWaalsContact C-N 3.31Å; L902-K904 PolarHBondContact O-N 2.96Å; L902-K905 CarbonylContact O-C 3.59Å; L902-K905 WeakPolarHBondContact O-CA 3.49Å; L902-K905 PolarHBondContact O-N 3.5Å; L902-N906 PolarHBondContact O-N 3.06Å; L902-V907 HydrophobicContact CB-CB 4.21Å; L902-V907 HydrophobicContact CD2-CB 4.31Å; L902-V907 HydrophobicContact CD2-CG1 4.39Å; L902-V907 HydrophobicContact CD2-CG2 4.01Å; L902-V907 PolarHBondContact O-N 3.12Å; L902-V907 VanDerWaalsContact O-N 3.08Å; L902-I909 HydrophobicContact CB-CD1 3.85Å; L902-I909 HydrophobicContact CB-CG1 4.45Å; L902-I909 HydrophobicContact CD1-CD1 4.29Å |
| 903 | L | 91.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 23.5 Ų | 23.5 | 18% | 0.178 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 172.2 | -72.5 | 169.3 | 0 | 0 | 0 | 111.8 | D899 K905 N906 I909 M1017 D1018 | D899-L903 WeakPolarHBondContact O-CB 3.22Å; D899-L903 VanDerWaalsContact O-CG 3.3Å; D899-L903 WeakPolarHBondContact O-CG 3.44Å; D899-L903 PolarHBondContact O-N 2.9Å; L903-K905 PolarHBondContact O-N 3.42Å; L903-N906 PolarHBondContact O-N 3.19Å; L903-N906 VanDerWaalsContact O-N 3.15Å; L903-I909 HydrophobicContact CG-CD1 4.43Å; L903-M1017 HydrophobicContact CD2-CB 4.33Å; L903-D1018 HydrophobicContact CD1-CB 4.29Å; L903-D1018 HydrophobicContact CD2-CB 4.38Å |
| 904 | K | 91.5 | Very high | 92.8 | Very high | 167 Ų | 167 | 23.5 Ų | 23.5 | 73% | 0.726 | 11% | 0.111 | S | C | * | . | H | α-helix | trans | -66.4 | -22.7 | 174.1 | -74.1 | 179.8 | 178.4 | -173 | 0 | 113.7 | K900 I901 L902 N906 | K900-K904 WeakPolarHBondContact O-CG 3.09Å; I901-K904 WeakPolarHBondContact O-CB 3.45Å; I901-K904 PolarHBondContact O-N 2.9Å; L902-K904 VanDerWaalsContact C-N 3.31Å; L902-K904 PolarHBondContact O-N 2.96Å; K904-N906 VanDerWaalsContact C-N 3.32Å |
| 905 | K | 91.7 | Very high | 92.8 | Very high | 77 Ų | 77 | 23.5 Ų | 23.5 | 34% | 0.335 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 5.5 | 176 | -72 | 168.9 | 59.3 | 175.4 | 0 | 112.8 | A878 Q879 M881 I901 L902 L903 V907 | A878-K905 PolarHBondContact O-NZ 3.46Å; Q879-K905 PolarHBondContact O-NZ 2.68Å; M881-K905 PolarHBondContact O-NZ 3.15Å; I901-K905 HydrophobicContact CG2-CD 4.07Å; I901-K905 PolarHBondContact O-N 3.37Å; L902-K905 CarbonylContact O-C 3.59Å; L902-K905 WeakPolarHBondContact O-CA 3.49Å; L902-K905 PolarHBondContact O-N 3.5Å; L903-K905 PolarHBondContact O-N 3.42Å; K905-V907 VanDerWaalsContact C-N 3.25Å; K905-V907 HydrophobicContact CB-CG2 3.98Å; K905-V907 PolarHBondContact O-N 3.14Å |
| 906 | N | 91.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 24 Ų | 24 | 48% | 0.481 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 40.6 | -171.6 | -68 | -18 | 0 | 0 | 0 | 112.9 | I776 L902 L903 K904 | I776-N906 WeakPolarHBondContact CG2-O 3Å; L902-N906 PolarHBondContact O-N 3.06Å; L903-N906 PolarHBondContact O-N 3.19Å; L903-N906 VanDerWaalsContact O-N 3.15Å; K904-N906 VanDerWaalsContact C-N 3.32Å |
| 907 | V | 94 | Very high | 92.8 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | trans | -83.6 | 131.5 | 170.4 | -179.2 | 0 | 0 | 0 | 0 | 109 | A883 I886 L902 K905 I909 | A883-V907 WeakPolarHBondContact O-CG2 3.31Å; I886-V907 HydrophobicContact CD1-CG1 3.76Å; I886-V907 HydrophobicContact CG1-CG1 3.93Å; L902-V907 HydrophobicContact CB-CB 4.21Å; L902-V907 HydrophobicContact CD2-CB 4.31Å; L902-V907 HydrophobicContact CD2-CG1 4.39Å; L902-V907 HydrophobicContact CD2-CG2 4.01Å; L902-V907 PolarHBondContact O-N 3.12Å; L902-V907 VanDerWaalsContact O-N 3.08Å; K905-V907 VanDerWaalsContact C-N 3.25Å; K905-V907 HydrophobicContact CB-CG2 3.98Å; K905-V907 PolarHBondContact O-N 3.14Å; V907-I909 PolarHBondContact O-N 2.9Å | ||
| 908 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 101 | 177.8 | 178.5 | 64.4 | 0 | 0 | 0 | 110.1 | F766 Y772 M773 I776 K884 I885 I886 L910 M1017 L1019 | F766-L908 HydrophobicContact CB-CD2 4.38Å; Y772-L908 HydrophobicContact CD1-CD1 3.89Å; M773-L908 HydrophobicContact CE-CD2 3.68Å; I776-L908 HydrophobicContact CD1-CB 4.34Å; I776-L908 HydrophobicContact CD1-CD2 4.31Å; I776-L908 HydrophobicContact CG2-CB 3.98Å; K884-L908 PolarHBondContact O-N 3.42Å; I885-L908 CarbonylContact C-O 3.55Å; I885-L908 WeakPolarHBondContact CA-O 3.49Å; I885-L908 HydrophobicContact CD1-CD2 4.36Å; I885-L908 HydrophobicContact CG1-CB 4.31Å; I885-L908 HydrophobicContact CG1-CD2 4.27Å; I885-L908 HydrophobicContact CG2-CD2 4.38Å; I885-L908 HydrophobicContact CG2-CG 4.47Å; I886-L908 PolarHBondContact N-O 3.4Å; L908-L910 HydrophobicContact CD1-CD2 3.99Å; L908-L910 HydrophobicContact CD2-CD2 4.12Å; L908-L910 HydrophobicContact CG-CD2 3.8Å; L908-L910 HydrophobicContact CG-CG 4.37Å; L908-M1017 HydrophobicContact CB-CE 4.05Å; L908-M1017 HydrophobicContact CD1-CE 3.8Å; L908-L1019 HydrophobicContact CD1-CD1 3.54Å |
| 909 | I | 95.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.9 | 175.3 | -49.2 | 175.7 | 0 | 0 | 0 | 108.9 | D899 L902 L903 V907 | D899-I909 VanDerWaalsContact OD1-CD1 3.31Å; D899-I909 WeakPolarHBondContact OD1-CD1 3.43Å; L902-I909 HydrophobicContact CB-CD1 3.85Å; L902-I909 HydrophobicContact CB-CG1 4.45Å; L902-I909 HydrophobicContact CD1-CD1 4.29Å; L903-I909 HydrophobicContact CG-CD1 4.43Å; V907-I909 PolarHBondContact O-N 2.9Å |
| 910 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 109.5 | 173.3 | -53.2 | -177.2 | 0 | 0 | 0 | 108.2 | L763 F766 I885 I886 E888 L908 I915 L1019 | L763-L910 HydrophobicContact CB-CD1 4.47Å; L763-L910 HydrophobicContact CD1-CD1 3.63Å; F766-L910 HydrophobicContact CB-CD1 4.27Å; F766-L910 HydrophobicContact CB-CD2 4.12Å; F766-L910 HydrophobicContact CD1-CD2 3.78Å; F766-L910 HydrophobicContact CD2-CD1 4.16Å; F766-L910 HydrophobicContact CD2-CD2 3.71Å; F766-L910 HydrophobicContact CE1-CD2 4.12Å; F766-L910 HydrophobicContact CE2-CD2 4.06Å; F766-L910 HydrophobicContact CG-CD1 4.33Å; F766-L910 HydrophobicContact CG-CD2 3.58Å; F766-L910 HydrophobicContact CZ-CD2 4.25Å; I885-L910 HydrophobicContact CG2-CD1 4.1Å; I885-L910 HydrophobicContact CG2-CG 4.25Å; I886-L910 PolarHBondContact O-N 3.12Å; E888-L910 PolarHBondContact N-O 3.36Å; E888-L910 VanDerWaalsContact N-O 3.11Å; L908-L910 HydrophobicContact CD1-CD2 3.99Å; L908-L910 HydrophobicContact CD2-CD2 4.12Å; L908-L910 HydrophobicContact CG-CD2 3.8Å; L908-L910 HydrophobicContact CG-CG 4.37Å; L910-I915 HydrophobicContact CB-CD1 3.8Å; L910-I915 HydrophobicContact CB-CG1 3.51Å; L910-I915 HydrophobicContact CD1-CD1 4.02Å; L910-L1019 HydrophobicContact CD2-CD1 3.68Å |
| 911 | P | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -75 | 151.8 | -160.9 | 29.6 | -37.6 | 0 | 0 | 0 | 114.2 | E888 L913 F914 I915 R1020 A1023 | E888-P911 WeakPolarHBondContact OE2-CA 3.34Å; P911-L913 VanDerWaalsContact C-N 3.27Å; P911-L913 PolarHBondContact O-N 2.96Å; P911-F914 HydrophobicContact CG-CB 4.43Å; P911-F914 PolarHBondContact O-N 2.59Å; P911-I915 PolarHBondContact O-N 3.16Å; P911-R1020 HydrophobicContact CB-CB 4.12Å; P911-R1020 HydrophobicContact CB-CG 4.14Å; P911-A1023 HydrophobicContact CG-CB 3.95Å | ||
| 912 | D | 92.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.2 | -34.6 | 178.6 | 72.3 | -32.4 | 0 | 0 | 0 | 114.3 | E888 A890 G892 F914 N916 R1020 | E888-D912 HydrophobicContact CB-CB 3.87Å; E888-D912 PolarHBondContact OE2-N 3.27Å; A890-D912 WeakPolarHBondContact O-CB 3.34Å; G892-D912 PolarHBondContact N-OD2 3.4Å; D912-F914 PolarHBondContact O-N 2.94Å; D912-F914 VanDerWaalsContact O-N 3.13Å; D912-N916 VanDerWaalsContact O-CG 3.26Å; D912-N916 PolarHBondContact O-ND2 3.39Å; D912-N916 VanDerWaalsContact O-ND2 3.16Å; D912-N916 PolarHBondContact O-OD1 3.35Å; D912-R1020 IonicContact OD1-NH1 2.7Å |
| 913 | L | 91.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.1 | -24.6 | 171.3 | -69.9 | -168.6 | 0 | 0 | 0 | 114 | L650 K654 V657 P911 A1023 Y1024 | L650-L913 HydrophobicContact CD2-CD2 3.63Å; K654-L913 HydrophobicContact CB-CD2 4.27Å; K654-L913 WeakPolarHBondContact CG-O 3.4Å; V657-L913 HydrophobicContact CG2-CB 4.27Å; P911-L913 VanDerWaalsContact C-N 3.27Å; P911-L913 PolarHBondContact O-N 2.96Å; L913-A1023 HydrophobicContact CB-CB 4.4Å; L913-A1023 HydrophobicContact CD1-CB 4.26Å; L913-Y1024 HydrophobicContact CD1-CD1 4.01Å; L913-Y1024 HydrophobicContact CD1-CD2 3.49Å; L913-Y1024 VanDerWaalsContact CD1-CD2 3.49Å; L913-Y1024 HydrophobicContact CD1-CE1 3.97Å; L913-Y1024 HydrophobicContact CD1-CE2 3.41Å; L913-Y1024 VanDerWaalsContact CD1-CE2 3.41Å; L913-Y1024 HydrophobicContact CD1-CG 3.79Å; L913-Y1024 HydrophobicContact CG-CE2 4Å |
| 914 | F | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -109.2 | -60 | 179.6 | 172.2 | -115.6 | 0 | 0 | 0 | 111.2 | V657 F766 P911 D912 N916 A917 M999 A1003 I1006 | V657-F914 HydrophobicContact CG1-CB 4.24Å; V657-F914 HydrophobicContact CG1-CD2 4.26Å; F766-F914 HydrophobicContact CD2-CE1 4.49Å; F766-F914 HydrophobicContact CE2-CD1 4.32Å; F766-F914 AromaticContact CE2-CE1 3.85Å; F766-F914 HydrophobicContact CE2-CE1 3.85Å; P911-F914 HydrophobicContact CG-CB 4.43Å; P911-F914 PolarHBondContact O-N 2.59Å; D912-F914 PolarHBondContact O-N 2.94Å; D912-F914 VanDerWaalsContact O-N 3.13Å; F914-N916 PolarHBondContact O-N 3.45Å; F914-A917 WeakPolarHBondContact O-CB 3.31Å; F914-A917 PolarHBondContact O-N 2.97Å; F914-M999 HydrophobicContact CD2-CE 3.93Å; F914-M999 HydrophobicContact CE1-CE 4.09Å; F914-M999 HydrophobicContact CE2-CE 3.44Å; F914-M999 VanDerWaalsContact CE2-CE 3.44Å; F914-M999 VanDerWaalsContact CE2-O 3.31Å; F914-M999 WeakPolarHBondContact CE2-O 3.48Å; F914-M999 HydrophobicContact CE2-SD 4.14Å; F914-M999 HydrophobicContact CG-CE 4.43Å; F914-M999 HydrophobicContact CZ-CB 4.47Å; F914-M999 HydrophobicContact CZ-CE 3.51Å; F914-M999 WeakPolarHBondContact CZ-O 3.32Å; F914-M999 VanDerWaalsContact O-CE 3.28Å; F914-M999 WeakPolarHBondContact O-CE 3.32Å; F914-A1003 HydrophobicContact CE1-CB 4.17Å; F914-A1003 HydrophobicContact CE2-CB 4.24Å; F914-A1003 HydrophobicContact CZ-CB 3.64Å; F914-I1006 HydrophobicContact CB-CD1 3.71Å; F914-I1006 HydrophobicContact CD1-CD1 4.34Å; F914-I1006 HydrophobicContact CD2-CD1 3.83Å; F914-I1006 HydrophobicContact CG-CD1 3.67Å |
| 915 | I | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | -164.3 | -75.7 | -65.2 | 0 | 0 | 0 | 113.3 | L759 A887 E888 L910 P911 A917 | L759-I915 HydrophobicContact CB-CG2 3.81Å; L759-I915 HydrophobicContact CD1-CG2 3.58Å; L759-I915 HydrophobicContact CG-CG2 3.6Å; L759-I915 PolarHBondContact N-O 3.27Å; A887-I915 HydrophobicContact CB-CG2 4.48Å; E888-I915 WeakPolarHBondContact O-CG2 3.42Å; L910-I915 HydrophobicContact CB-CD1 3.8Å; L910-I915 HydrophobicContact CB-CG1 3.51Å; L910-I915 HydrophobicContact CD1-CD1 4.02Å; P911-I915 PolarHBondContact O-N 3.16Å; I915-A917 VanDerWaalsContact C-N 3.35Å |
| 916 | N | 91 | Very high | 93.7 | Very high | 10 Ų | 10 | 10.2 Ų | 10.2 | 5% | 0.053 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 2.7 | -179.7 | 75.8 | 50.3 | 0 | 0 | 0 | 113.9 | K654 T755 A889 A890 D912 F914 G918 G919 | K654-N916 VanDerWaalsContact CE-OD1 3.23Å; K654-N916 WeakPolarHBondContact CE-OD1 3.18Å; K654-N916 PolarHBondContact NZ-OD1 3.17Å; T755-N916 HydrophobicContact CG2-CB 3.89Å; A889-N916 WeakPolarHBondContact O-CB 3.32Å; A890-N916 PolarHBondContact O-ND2 3.5Å; D912-N916 VanDerWaalsContact O-CG 3.26Å; D912-N916 PolarHBondContact O-ND2 3.39Å; D912-N916 VanDerWaalsContact O-ND2 3.16Å; D912-N916 PolarHBondContact O-OD1 3.35Å; F914-N916 PolarHBondContact O-N 3.45Å; N916-G918 PolarHBondContact O-N 2.87Å; N916-G918 VanDerWaalsContact O-N 3.15Å; N916-G919 PolarHBondContact O-N 3.13Å |
| 917 | A | 92.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K654 V658 F914 I915 G919 V920 T921 | K654-A917 HydrophobicContact CD-CB 4.26Å; K654-A917 HydrophobicContact CG-CB 3.77Å; V658-A917 HydrophobicContact CB-CB 4.4Å; V658-A917 HydrophobicContact CG1-CB 3.49Å; V658-A917 VanDerWaalsContact CG1-CB 3.49Å; V658-A917 HydrophobicContact CG2-CB 4.02Å; F914-A917 WeakPolarHBondContact O-CB 3.31Å; F914-A917 PolarHBondContact O-N 2.97Å; I915-A917 VanDerWaalsContact C-N 3.35Å; A917-G919 PolarHBondContact O-N 3.19Å; A917-V920 HydrophobicContact CB-CG1 4.37Å; A917-V920 WeakPolarHBondContact O-CG1 3.17Å; A917-V920 PolarHBondContact O-N 2.76Å; A917-T921 PolarHBondContact O-N 2.82Å; A917-T921 PolarHBondContact O-OG1 3.15Å |
| 918 | G | 91.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -53.9 | -30.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N916 T921 V922 | N916-G918 PolarHBondContact O-N 2.87Å; N916-G918 VanDerWaalsContact O-N 3.15Å; G918-T921 PolarHBondContact O-N 3.39Å; G918-V922 PolarHBondContact O-N 2.97Å; G918-V922 VanDerWaalsContact O-N 3.08Å |
| 919 | G | 89.9 | Confident | 93.8 | Very high | 5 Ų | 5 | 10.3 Ų | 10.3 | 5% | 0.052 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.8 | -38 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R751 N916 A917 S923 | R751-G919 PolarHBondContact NE-O 3.37Å; R751-G919 PolarHBondContact NH2-O 3.23Å; N916-G919 PolarHBondContact O-N 3.13Å; A917-G919 PolarHBondContact O-N 3.19Å; G919-S923 WeakPolarHBondContact O-CB 3.39Å; G919-S923 PolarHBondContact O-N 2.79Å |
| 920 | V | 92.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 10.9 Ų | 10.9 | 7% | 0.067 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -77.9 | -35.5 | 175.9 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | K630 M651 K654 V658 V660 A917 V922 S923 Y924 | K630-V920 HydrophobicContact CG-CG2 4.1Å; M651-V920 HydrophobicContact CE-CB 4.07Å; M651-V920 HydrophobicContact CE-CG2 3.74Å; K654-V920 HydrophobicContact CD-CG1 4.22Å; K654-V920 HydrophobicContact CG-CG1 4.19Å; V658-V920 HydrophobicContact CG2-CG1 4.17Å; V660-V920 HydrophobicContact CG1-CG2 4.44Å; A917-V920 HydrophobicContact CB-CG1 4.37Å; A917-V920 WeakPolarHBondContact O-CG1 3.17Å; A917-V920 PolarHBondContact O-N 2.76Å; V920-V922 PolarHBondContact O-N 2.76Å; V920-S923 CarbonylContact O-C 3.6Å; V920-S923 WeakPolarHBondContact O-CB 3.25Å; V920-S923 PolarHBondContact O-N 2.87Å; V920-Y924 PolarHBondContact O-N 3.42Å |
| 921 | T | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.5 | -46.8 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | A917 G918 Y924 F925 L995 T998 | A917-T921 PolarHBondContact O-N 2.82Å; A917-T921 PolarHBondContact O-OG1 3.15Å; G918-T921 PolarHBondContact O-N 3.39Å; T921-Y924 WeakPolarHBondContact O-CB 3.5Å; T921-Y924 PolarHBondContact O-N 3.43Å; T921-Y924 VanDerWaalsContact O-N 3.17Å; T921-F925 HydrophobicContact CG2-CE1 4.18Å; T921-F925 HydrophobicContact CG2-CE2 3.9Å; T921-F925 HydrophobicContact CG2-CZ 3.58Å; T921-F925 WeakPolarHBondContact O-CG 3.49Å; T921-F925 PolarHBondContact O-N 3.32Å; T921-F925 VanDerWaalsContact O-N 3.13Å; T921-L995 HydrophobicContact CG2-CD1 4.2Å; T921-T998 HydrophobicContact CG2-CG2 3.89Å |
| 922 | V | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75.4 | -28.2 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | I748 R751 A754 G918 V920 Y924 F925 E926 V991 L995 | I748-V922 HydrophobicContact CG2-CG1 3.65Å; R751-V922 HydrophobicContact CB-CG1 4.16Å; A754-V922 HydrophobicContact CB-CB 3.7Å; A754-V922 HydrophobicContact CB-CG1 4.25Å; A754-V922 HydrophobicContact CB-CG2 3.52Å; G918-V922 PolarHBondContact O-N 2.97Å; G918-V922 VanDerWaalsContact O-N 3.08Å; V920-V922 PolarHBondContact O-N 2.76Å; V922-Y924 VanDerWaalsContact C-N 3.29Å; V922-Y924 PolarHBondContact O-N 3.14Å; V922-F925 HydrophobicContact CG2-CD2 4.24Å; V922-F925 HydrophobicContact CG2-CE2 4.49Å; V922-F925 PolarHBondContact O-N 2.34Å; V922-E926 PolarHBondContact O-N 3.08Å; V922-V991 HydrophobicContact CB-CG1 4.36Å; V922-V991 HydrophobicContact CG1-CG1 3.6Å; V922-V991 HydrophobicContact CG2-CG1 3.8Å; V922-L995 HydrophobicContact CG2-CB 4.31Å; V922-L995 HydrophobicContact CG2-CD1 4.46Å; V922-L995 HydrophobicContact CG2-CD2 4.1Å |
| 923 | S | 94.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64 | -30.8 | 166 | -89.1 | 0 | 0 | 0 | 0 | 113 | T739 R751 G919 V920 W927 | T739-S923 WeakPolarHBondContact CG2-O 3.37Å; T739-S923 WeakPolarHBondContact OG1-CB 3.34Å; T739-S923 PolarHBondContact OG1-OG 3.42Å; R751-S923 PolarHBondContact NE-OG 3.27Å; R751-S923 PolarHBondContact NH2-OG 3.14Å; R751-S923 VanDerWaalsContact NH2-OG 3.08Å; G919-S923 WeakPolarHBondContact O-CB 3.39Å; G919-S923 PolarHBondContact O-N 2.79Å; V920-S923 CarbonylContact O-C 3.6Å; V920-S923 WeakPolarHBondContact O-CB 3.25Å; V920-S923 PolarHBondContact O-N 2.87Å; S923-W927 PolarHBondContact O-N 3.09Å; S923-W927 VanDerWaalsContact O-N 3.09Å |
| 924 | Y | 95.6 | Very high | 93.4 | Very high | 56 Ų | 56 | 26.3 Ų | 26.3 | 22% | 0.22 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.5 | -41.3 | 171.8 | 169 | -123.4 | 0 | 0 | 0 | 111.3 | V660 P661 F662 V920 T921 V922 E926 W927 L928 | V660-Y924 HydrophobicContact CG1-CG 4.21Å; V660-Y924 HydrophobicContact CG2-CD1 4.35Å; P661-Y924 HydrophobicContact CG-CD2 4.32Å; P661-Y924 HydrophobicContact CG-CE2 3.58Å; F662-Y924 HydrophobicContact CE1-CD2 4.27Å; F662-Y924 AromaticContact CE2-CD2 3.88Å; F662-Y924 HydrophobicContact CE2-CD2 3.88Å; F662-Y924 HydrophobicContact CE2-CG 4.25Å; F662-Y924 AromaticContact CZ-CD2 3.61Å; F662-Y924 HydrophobicContact CZ-CD2 3.61Å; F662-Y924 HydrophobicContact CZ-CE2 4.5Å; F662-Y924 HydrophobicContact CZ-CG 4.39Å; V920-Y924 PolarHBondContact O-N 3.42Å; T921-Y924 WeakPolarHBondContact O-CB 3.5Å; T921-Y924 PolarHBondContact O-N 3.43Å; T921-Y924 VanDerWaalsContact O-N 3.17Å; V922-Y924 VanDerWaalsContact C-N 3.29Å; V922-Y924 PolarHBondContact O-N 3.14Å; Y924-E926 VanDerWaalsContact C-N 3.34Å; Y924-E926 PolarHBondContact O-N 3.06Å; Y924-W927 HydrophobicContact CD2-CE3 4.14Å; Y924-W927 HydrophobicContact CE2-CE3 4.2Å; Y924-W927 HydrophobicContact CE2-CZ3 4.3Å; Y924-W927 PolarHBondContact O-N 3.05Å; Y924-L928 HydrophobicContact CD1-CD1 4.37Å; Y924-L928 HydrophobicContact CD2-CD1 4.45Å; Y924-L928 HydrophobicContact CD2-CG 4.17Å; Y924-L928 HydrophobicContact CE1-CD1 3.85Å; Y924-L928 HydrophobicContact CE2-CD1 3.94Å; Y924-L928 HydrophobicContact CE2-CD2 3.93Å; Y924-L928 HydrophobicContact CE2-CG 3.79Å; Y924-L928 WeakPolarHBondContact O-CG 3.4Å; Y924-L928 PolarHBondContact O-N 3.12Å |
| 925 | F | 94.7 | Very high | 92.9 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 13% | 0.132 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 174 | -55.8 | -24.5 | 0 | 0 | 0 | 112.7 | I748 T921 V922 L928 K929 F936 V991 | I748-F925 HydrophobicContact CD1-CB 3.77Å; T921-F925 HydrophobicContact CG2-CE1 4.18Å; T921-F925 HydrophobicContact CG2-CE2 3.9Å; T921-F925 HydrophobicContact CG2-CZ 3.58Å; T921-F925 WeakPolarHBondContact O-CG 3.49Å; T921-F925 PolarHBondContact O-N 3.32Å; T921-F925 VanDerWaalsContact O-N 3.13Å; V922-F925 HydrophobicContact CG2-CD2 4.24Å; V922-F925 HydrophobicContact CG2-CE2 4.49Å; V922-F925 PolarHBondContact O-N 2.34Å; F925-L928 PolarHBondContact O-N 3.21Å; F925-K929 WeakPolarHBondContact O-CB 3.39Å; F925-K929 PolarHBondContact O-N 3.29Å; F925-F936 HydrophobicContact CB-CE2 4.48Å; F925-V991 HydrophobicContact CD2-CG1 4.28Å; F925-V991 HydrophobicContact CD2-CG2 4.32Å |
| 926 | E | 95.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 171.9 | -166.5 | -177.2 | 148.9 | 0 | 0 | 111.9 | T739 G740 K741 I748 V922 Y924 L928 K929 D930 | T739-E926 VanDerWaalsContact CA-OE1 3.23Å; T739-E926 WeakPolarHBondContact CA-OE1 3.48Å; T739-E926 HydrophobicContact CG2-CB 4.37Å; G740-E926 PolarHBondContact N-OE1 2.98Å; G740-E926 PolarHBondContact N-OE2 2.66Å; K741-E926 PolarHBondContact N-OE1 2.86Å; K741-E926 IonicContact NZ-OE1 3.62Å; K741-E926 PolarHBondContact NZ-OE1 2.98Å; I748-E926 HydrophobicContact CB-CB 3.98Å; I748-E926 HydrophobicContact CB-CG 4.05Å; I748-E926 HydrophobicContact CG2-CB 3.67Å; I748-E926 HydrophobicContact CG2-CG 4.07Å; V922-E926 PolarHBondContact O-N 3.08Å; Y924-E926 VanDerWaalsContact C-N 3.34Å; Y924-E926 PolarHBondContact O-N 3.06Å; E926-L928 VanDerWaalsContact C-N 3.32Å; E926-L928 PolarHBondContact O-N 3.42Å; E926-K929 WeakPolarHBondContact O-CB 3.5Å; E926-K929 PolarHBondContact O-N 3.24Å; E926-K929 VanDerWaalsContact O-N 3.09Å; E926-D930 PolarHBondContact O-N 3.07Å |
| 927 | W | 95.8 | Very high | 91.9 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 177.2 | -176.7 | 78.5 | 0 | 0 | 0 | 111.9 | P628 F662 P700 A736 T739 S923 Y924 D930 L931 | P628-W927 HydrophobicContact CG-CH2 4.32Å; P628-W927 HydrophobicContact CG-CZ2 3.62Å; F662-W927 AromaticContact CE1-CD2 3.86Å; F662-W927 HydrophobicContact CE1-CD2 3.86Å; F662-W927 AromaticContact CE1-CE3 3.7Å; F662-W927 HydrophobicContact CE1-CE3 3.7Å; F662-W927 HydrophobicContact CE1-CG 4.5Å; F662-W927 HydrophobicContact CE1-CH2 4.13Å; F662-W927 HydrophobicContact CE1-CZ2 4.3Å; F662-W927 AromaticContact CE1-CZ3 3.84Å; F662-W927 HydrophobicContact CE1-CZ3 3.84Å; F662-W927 HydrophobicContact CZ-CB 4.21Å; F662-W927 AromaticContact CZ-CD2 3.78Å; F662-W927 HydrophobicContact CZ-CD2 3.78Å; F662-W927 AromaticContact CZ-CE3 3.69Å; F662-W927 HydrophobicContact CZ-CE3 3.69Å; F662-W927 HydrophobicContact CZ-CG 4.04Å; F662-W927 HydrophobicContact CZ-CZ3 4.28Å; P700-W927 PolarHBondContact O-NE1 3.11Å; P700-W927 VanDerWaalsContact O-NE1 3.15Å; A736-W927 VanDerWaalsContact O-CD1 3.25Å; T739-W927 HydrophobicContact CG2-CB 4.11Å; S923-W927 PolarHBondContact O-N 3.09Å; S923-W927 VanDerWaalsContact O-N 3.09Å; Y924-W927 HydrophobicContact CD2-CE3 4.14Å; Y924-W927 HydrophobicContact CE2-CE3 4.2Å; Y924-W927 HydrophobicContact CE2-CZ3 4.3Å; Y924-W927 PolarHBondContact O-N 3.05Å; W927-D930 PolarHBondContact O-N 3.36Å; W927-L931 HydrophobicContact CD2-CD1 3.9Å; W927-L931 HydrophobicContact CD2-CG 4.39Å; W927-L931 HydrophobicContact CE3-CD1 3.79Å; W927-L931 HydrophobicContact CH2-CD1 3.56Å; W927-L931 HydrophobicContact CZ2-CD1 3.64Å; W927-L931 HydrophobicContact CZ3-CD1 3.62Å; W927-L931 WeakPolarHBondContact O-CG 3.44Å; W927-L931 PolarHBondContact O-N 2.95Å |
| 928 | L | 94.4 | Very high | 91.5 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 171.9 | -72.1 | 179.7 | 0 | 0 | 0 | 112.5 | Y924 F925 E926 L931 N932 F936 | Y924-L928 HydrophobicContact CD1-CD1 4.37Å; Y924-L928 HydrophobicContact CD2-CD1 4.45Å; Y924-L928 HydrophobicContact CD2-CG 4.17Å; Y924-L928 HydrophobicContact CE1-CD1 3.85Å; Y924-L928 HydrophobicContact CE2-CD1 3.94Å; Y924-L928 HydrophobicContact CE2-CD2 3.93Å; Y924-L928 HydrophobicContact CE2-CG 3.79Å; Y924-L928 WeakPolarHBondContact O-CG 3.4Å; Y924-L928 PolarHBondContact O-N 3.12Å; F925-L928 PolarHBondContact O-N 3.21Å; E926-L928 VanDerWaalsContact C-N 3.32Å; E926-L928 PolarHBondContact O-N 3.42Å; L928-L931 PolarHBondContact O-N 3.47Å; L928-N932 WeakPolarHBondContact O-CB 3.39Å; L928-N932 PolarHBondContact O-N 2.97Å; L928-N932 PolarHBondContact O-ND2 3.39Å; L928-F936 HydrophobicContact CB-CZ 4.2Å |
| 929 | K | 93.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 176.1 | 171.6 | -175.6 | 176.2 | 174.9 | 0 | 111 | G746 G747 I748 F925 E926 N932 H933 F936 E987 | G746-K929 WeakPolarHBondContact O-CE 3.37Å; G747-K929 PolarHBondContact O-NZ 3.32Å; I748-K929 HydrophobicContact CB-CD 4.28Å; I748-K929 HydrophobicContact CD1-CD 4.3Å; I748-K929 HydrophobicContact CG1-CD 4.06Å; F925-K929 WeakPolarHBondContact O-CB 3.39Å; F925-K929 PolarHBondContact O-N 3.29Å; E926-K929 WeakPolarHBondContact O-CB 3.5Å; E926-K929 PolarHBondContact O-N 3.24Å; E926-K929 VanDerWaalsContact O-N 3.09Å; K929-N932 PolarHBondContact O-N 3.36Å; K929-H933 PolarHBondContact O-N 3.02Å; K929-H933 VanDerWaalsContact O-N 3.07Å; K929-F936 HydrophobicContact CB-CE2 3.96Å; K929-E987 WeakPolarHBondContact CD-OE1 3.48Å; K929-E987 WeakPolarHBondContact CE-OE1 3.4Å; K929-E987 VanDerWaalsContact NZ-CD 3.29Å; K929-E987 IonicContact NZ-OE1 3.87Å; K929-E987 PolarHBondContact NZ-OE1 2.94Å; K929-E987 IonicContact NZ-OE2 2.7Å; K929-E987 PolarHBondContact NZ-OE2 3.35Å |
| 930 | D | 94.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.3 | -62.8 | -49.8 | 0 | 0 | 0 | 111.4 | A736 K741 E926 W927 N932 H933 | A736-D930 HydrophobicContact CB-CB 3.57Å; K741-D930 WeakPolarHBondContact CE-OD1 3.39Å; K741-D930 IonicContact NZ-OD1 3.3Å; K741-D930 PolarHBondContact NZ-OD1 2.93Å; K741-D930 IonicContact NZ-OD2 2.81Å; K741-D930 PolarHBondContact NZ-OD2 2.95Å; E926-D930 PolarHBondContact O-N 3.07Å; W927-D930 PolarHBondContact O-N 3.36Å; D930-N932 VanDerWaalsContact C-N 3.35Å; D930-N932 PolarHBondContact O-N 3.42Å; D930-H933 PolarHBondContact O-CD2 3.21Å; D930-H933 VanDerWaalsContact O-CD2 3.25Å; D930-H933 PolarHBondContact O-N 3.39Å; D930-H933 PolarHBondContact O-NE2 3.28Å; D930-H933 VanDerWaalsContact O-NE2 3.13Å |
| 931 | L | 94.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -30 | 179.4 | -71.8 | -175.9 | 0 | 0 | 0 | 114.6 | D733 A736 W927 L928 H933 | D733-L931 HydrophobicContact CB-CD2 3.74Å; D733-L931 VanDerWaalsContact CG-CD2 3.48Å; A736-L931 HydrophobicContact CB-CD2 4.16Å; W927-L931 HydrophobicContact CD2-CD1 3.9Å; W927-L931 HydrophobicContact CD2-CG 4.39Å; W927-L931 HydrophobicContact CE3-CD1 3.79Å; W927-L931 HydrophobicContact CH2-CD1 3.56Å; W927-L931 HydrophobicContact CZ2-CD1 3.64Å; W927-L931 HydrophobicContact CZ3-CD1 3.62Å; W927-L931 WeakPolarHBondContact O-CG 3.44Å; W927-L931 PolarHBondContact O-N 2.95Å; L928-L931 PolarHBondContact O-N 3.47Å; L931-H933 PolarHBondContact O-CD2 3.47Å; L931-H933 VanDerWaalsContact O-CD2 3.31Å |
| 932 | N | 92.9 | Very high | 89.9 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -88.5 | -12.8 | 179.5 | -77.6 | -86.5 | 0 | 0 | 0 | 113.1 | L928 K929 D930 V934 | L928-N932 WeakPolarHBondContact O-CB 3.39Å; L928-N932 PolarHBondContact O-N 2.97Å; L928-N932 PolarHBondContact O-ND2 3.39Å; K929-N932 PolarHBondContact O-N 3.36Å; D930-N932 VanDerWaalsContact C-N 3.35Å; D930-N932 PolarHBondContact O-N 3.42Å; N932-V934 HydrophobicContact CB-CG2 4.22Å; N932-V934 PolarHBondContact O-N 2.99Å; N932-V934 VanDerWaalsContact O-N 3.1Å |
| 933 | H | 91.2 | Very high | 89.5 | Confident | 117 Ų | 117 | 66 Ų | 66 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 20.2 | -179.1 | -61.7 | -95.5 | 0 | 0 | 0 | 114.5 | K732 D733 K929 D930 L931 | K732-H933 PolarHBondContact O-CE1 3.28Å; K732-H933 VanDerWaalsContact O-CE1 3.29Å; D733-H933 IonicContact OD1-CD2 3.43Å; D733-H933 IonicContact OD1-CE1 3.96Å; D733-H933 IonicContact OD1-NE2 2.65Å; D733-H933 PolarHBondContact OD1-NE2 3.02Å; K929-H933 PolarHBondContact O-N 3.02Å; K929-H933 VanDerWaalsContact O-N 3.07Å; D930-H933 PolarHBondContact O-CD2 3.21Å; D930-H933 VanDerWaalsContact O-CD2 3.25Å; D930-H933 PolarHBondContact O-N 3.39Å; D930-H933 PolarHBondContact O-NE2 3.28Å; D930-H933 VanDerWaalsContact O-NE2 3.13Å; L931-H933 PolarHBondContact O-CD2 3.47Å; L931-H933 VanDerWaalsContact O-CD2 3.31Å |
| 934 | V | 89.4 | Confident | 89 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -136.7 | 145.4 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | N932 | N932-V934 HydrophobicContact CB-CG2 4.22Å; N932-V934 PolarHBondContact O-N 2.99Å; N932-V934 VanDerWaalsContact O-N 3.1Å |
| 935 | S | 84 | Confident | 88.5 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | trans | -69.4 | 140.1 | 167.5 | -47.5 | 0 | 0 | 0 | 0 | 110.4 | G937 R938 E987 | S935-G937 PolarHBondContact O-N 2.97Å; S935-R938 VanDerWaalsContact O-CB 3.26Å; S935-R938 WeakPolarHBondContact O-CB 3.46Å; S935-R938 PolarHBondContact O-N 3.47Å; S935-E987 WeakPolarHBondContact CA-OE1 3.2Å; S935-E987 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 936 | F | 84.1 | Confident | 88.1 | Confident | 57 Ų | 57 | 72 Ų | 72 | 25% | 0.25 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 137.3 | -179.3 | -71.1 | -71.4 | 0 | 0 | 0 | 112 | I748 F925 L928 K929 R938 F941 E987 I990 | I748-F936 HydrophobicContact CD1-CD2 4.11Å; I748-F936 HydrophobicContact CD1-CE2 3.88Å; F925-F936 HydrophobicContact CB-CE2 4.48Å; L928-F936 HydrophobicContact CB-CZ 4.2Å; K929-F936 HydrophobicContact CB-CE2 3.96Å; F936-R938 PolarHBondContact O-N 2.93Å; F936-R938 VanDerWaalsContact O-N 3.16Å; F936-F941 WeakPolarHBondContact O-CE2 3.32Å; F936-F941 WeakPolarHBondContact O-CZ 3.47Å; F936-E987 HydrophobicContact CB-CG 4.41Å; F936-E987 HydrophobicContact CD2-CG 4.36Å; F936-I990 HydrophobicContact CB-CB 4.49Å; F936-I990 HydrophobicContact CB-CD1 3.82Å; F936-I990 HydrophobicContact CB-CG2 4.2Å; F936-I990 HydrophobicContact CG-CG2 4.44Å |
| 937 | G | 80.9 | Confident | 87.8 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -8.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | S935 L939 T940 F941 | S935-G937 PolarHBondContact O-N 2.97Å; G937-L939 PolarHBondContact O-N 2.96Å; G937-T940 PolarHBondContact O-N 3.31Å; G937-F941 VanDerWaalsContact C-CD2 3.47Å; G937-F941 WeakPolarHBondContact O-CD2 3.48Å; G937-F941 VanDerWaalsContact O-CG 3.23Å; G937-F941 WeakPolarHBondContact O-CG 3.48Å; G937-F941 PolarHBondContact O-N 2.84Å |
| 938 | R | 83.4 | Confident | 87.4 | Confident | 192 Ų | 192 | 74.4 Ų | 74.4 | 73% | 0.725 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.5 | -178.7 | -177.8 | 174.1 | 178.3 | 170.6 | -0.4 | 114.4 | S935 F936 | S935-R938 VanDerWaalsContact O-CB 3.26Å; S935-R938 WeakPolarHBondContact O-CB 3.46Å; S935-R938 PolarHBondContact O-N 3.47Å; F936-R938 PolarHBondContact O-N 2.93Å; F936-R938 VanDerWaalsContact O-N 3.16Å |
| 939 | L | 84.4 | Confident | 87.1 | Confident | 143 Ų | 143 | 76.1 Ų | 76.1 | 75% | 0.749 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.7 | 177.8 | -62.9 | 177.4 | 0 | 0 | 0 | 113.7 | G937 | G937-L939 PolarHBondContact O-N 2.96Š|
| 940 | T | 85.8 | Confident | 86.9 | Confident | 54 Ų | 54 | 80.9 Ų | 80.9 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -30.8 | -166.9 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | G937 K942 Y943 E944 | G937-T940 PolarHBondContact O-N 3.31Å; T940-K942 VanDerWaalsContact C-N 3.3Å; T940-K942 PolarHBondContact O-N 2.9Å; T940-K942 VanDerWaalsContact O-N 3.08Å; T940-Y943 CarbonylContact O-C 3.58Å; T940-Y943 WeakPolarHBondContact O-CA 3.37Å; T940-Y943 WeakPolarHBondContact O-CB 3.26Å; T940-Y943 PolarHBondContact O-N 3.15Å; T940-E944 WeakPolarHBondContact CB-OE1 3.42Å; T940-E944 PolarHBondContact O-N 2.92Å; T940-E944 PolarHBondContact OG1-OE1 3.13Å |
| 941 | F | 82.9 | Confident | 86.8 | Confident | 44 Ų | 44 | 86 Ų | 86 | 19% | 0.193 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -48.5 | -45.8 | -172.6 | -68.3 | -40.3 | 0 | 0 | 0 | 114.4 | F936 G937 N945 A985 I990 | F936-F941 WeakPolarHBondContact O-CE2 3.32Å; F936-F941 WeakPolarHBondContact O-CZ 3.47Å; G937-F941 VanDerWaalsContact C-CD2 3.47Å; G937-F941 WeakPolarHBondContact O-CD2 3.48Å; G937-F941 VanDerWaalsContact O-CG 3.23Å; G937-F941 WeakPolarHBondContact O-CG 3.48Å; G937-F941 PolarHBondContact O-N 2.84Å; F941-N945 WeakPolarHBondContact O-CB 3.5Å; F941-N945 VanDerWaalsContact O-CG 3.3Å; F941-N945 PolarHBondContact O-N 2.68Å; F941-A985 HydrophobicContact CD1-CB 3.53Å; F941-A985 HydrophobicContact CE1-CB 3.68Å; F941-A985 WeakPolarHBondContact CE2-O 3.22Å; F941-A985 HydrophobicContact CG-CB 4.19Å; F941-A985 VanDerWaalsContact CZ-C 3.46Å; F941-A985 HydrophobicContact CZ-CB 4.47Å; F941-A985 WeakPolarHBondContact CZ-O 3.47Å; F941-I990 HydrophobicContact CE1-CD1 3.74Å; F941-I990 HydrophobicContact CE1-CG1 4.48Å; F941-I990 HydrophobicContact CZ-CD1 3.7Å |
| 942 | K | 82.6 | Confident | 86.6 | Confident | 146 Ų | 146 | 85.1 Ų | 85.1 | 64% | 0.635 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.1 | -44.6 | 177.8 | 178 | 171.6 | 172.8 | 176.5 | 0 | 111.9 | T940 N945 E946 | T940-K942 VanDerWaalsContact C-N 3.3Å; T940-K942 PolarHBondContact O-N 2.9Å; T940-K942 VanDerWaalsContact O-N 3.08Å; K942-N945 PolarHBondContact O-N 3.49Å; K942-E946 WeakPolarHBondContact CE-OE1 3.43Å; K942-E946 WeakPolarHBondContact CE-OE2 3.07Å; K942-E946 HydrophobicContact CG-CG 4.47Å; K942-E946 IonicContact NZ-OE1 2.74Å; K942-E946 PolarHBondContact NZ-OE1 2.81Å; K942-E946 IonicContact NZ-OE2 2.83Å; K942-E946 WeakPolarHBondContact O-CB 3.48Å; K942-E946 WeakPolarHBondContact O-CG 3.27Å; K942-E946 PolarHBondContact O-N 2.77Å |
| 943 | Y | 85.4 | Confident | 86.5 | Confident | 163 Ų | 163 | 84.6 Ų | 84.6 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.6 | -38.4 | -179.7 | 176.8 | -102.8 | 0 | 0 | 0 | 112.2 | T940 T947 | T940-Y943 CarbonylContact O-C 3.58Å; T940-Y943 WeakPolarHBondContact O-CA 3.37Å; T940-Y943 WeakPolarHBondContact O-CB 3.26Å; T940-Y943 PolarHBondContact O-N 3.15Å; Y943-T947 WeakPolarHBondContact O-CB 3.47Å; Y943-T947 PolarHBondContact O-N 3.35Å; Y943-T947 PolarHBondContact O-OG1 3.07Å |
| 944 | E | 84.4 | Confident | 86.5 | Confident | 90 Ų | 90 | 82.2 Ų | 82.2 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 173.5 | -73.5 | 170.8 | -159.2 | 0 | 0 | 110.8 | T940 T948 | T940-E944 WeakPolarHBondContact CB-OE1 3.42Å; T940-E944 PolarHBondContact O-N 2.92Å; T940-E944 PolarHBondContact OG1-OE1 3.13Å; E944-T948 WeakPolarHBondContact O-CB 3.38Å; E944-T948 PolarHBondContact O-N 3.5Å; E944-T948 PolarHBondContact O-OG1 3Å |
| 945 | N | 83.7 | Confident | 86.6 | Confident | 42 Ų | 42 | 83.1 Ų | 83.1 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 177.2 | -74.3 | 3.8 | 0 | 0 | 0 | 112 | F941 K942 T948 L949 L982 | F941-N945 WeakPolarHBondContact O-CB 3.5Å; F941-N945 VanDerWaalsContact O-CG 3.3Å; F941-N945 PolarHBondContact O-N 2.68Å; K942-N945 PolarHBondContact O-N 3.49Å; N945-T948 PolarHBondContact O-N 2.72Å; N945-L949 WeakPolarHBondContact O-CG 3.48Å; N945-L949 PolarHBondContact O-N 2.96Å; N945-L982 PolarHBondContact ND2-O 3.24Å; N945-L982 VanDerWaalsContact OD1-CD2 3.32Å; N945-L982 WeakPolarHBondContact OD1-CD2 3.49Å |
| 946 | E | 87.3 | Confident | 86.8 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.8 | -75.6 | 177.9 | 152.8 | 0 | 0 | 111.9 | K942 T948 L949 M950 | K942-E946 WeakPolarHBondContact CE-OE1 3.43Å; K942-E946 WeakPolarHBondContact CE-OE2 3.07Å; K942-E946 HydrophobicContact CG-CG 4.47Å; K942-E946 IonicContact NZ-OE1 2.74Å; K942-E946 PolarHBondContact NZ-OE1 2.81Å; K942-E946 IonicContact NZ-OE2 2.83Å; K942-E946 WeakPolarHBondContact O-CB 3.48Å; K942-E946 WeakPolarHBondContact O-CG 3.27Å; K942-E946 PolarHBondContact O-N 2.77Å; E946-T948 VanDerWaalsContact C-N 3.32Å; E946-T948 PolarHBondContact O-N 3.03Å; E946-L949 PolarHBondContact O-N 3.42Å; E946-M950 WeakPolarHBondContact O-CB 3.41Å; E946-M950 VanDerWaalsContact O-CG 3.28Å; E946-M950 WeakPolarHBondContact O-CG 3.49Å; E946-M950 PolarHBondContact O-N 3.1Å |
| 947 | T | 89.4 | Confident | 87 | Confident | 55 Ų | 55 | 86 Ų | 86 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | Y943 M951 | Y943-T947 WeakPolarHBondContact O-CB 3.47Å; Y943-T947 PolarHBondContact O-N 3.35Å; Y943-T947 PolarHBondContact O-OG1 3.07Å; T947-M951 WeakPolarHBondContact O-CB 3.45Å; T947-M951 PolarHBondContact O-N 3.06Å |
| 948 | T | 86.5 | Confident | 87.3 | Confident | 29 Ų | 29 | 88.1 Ų | 88.1 | 18% | 0.178 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.8 | -43 | 178.2 | -63 | 0 | 0 | 0 | 0 | 111.6 | E944 N945 E946 M951 L952 Y978 L982 | E944-T948 WeakPolarHBondContact O-CB 3.38Å; E944-T948 PolarHBondContact O-N 3.5Å; E944-T948 PolarHBondContact O-OG1 3Å; N945-T948 PolarHBondContact O-N 2.72Å; E946-T948 VanDerWaalsContact C-N 3.32Å; E946-T948 PolarHBondContact O-N 3.03Å; T948-M951 WeakPolarHBondContact O-CB 3.49Å; T948-M951 PolarHBondContact O-N 3.46Å; T948-L952 WeakPolarHBondContact O-CG 3.34Å; T948-L952 PolarHBondContact O-N 3.32Å; T948-L952 VanDerWaalsContact O-N 3.08Å; T948-Y978 HydrophobicContact CG2-CE1 3.65Å; T948-Y978 WeakPolarHBondContact CG2-OH 3.2Å; T948-L982 HydrophobicContact CG2-CD1 4.39Å; T948-L982 HydrophobicContact CG2-CD2 3.95Å |
| 949 | L | 87.3 | Confident | 87.5 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173 | -70 | 169.8 | 0 | 0 | 0 | 110.7 | N945 E946 M951 L952 D953 | N945-L949 WeakPolarHBondContact O-CG 3.48Å; N945-L949 PolarHBondContact O-N 2.96Å; E946-L949 PolarHBondContact O-N 3.42Å; L949-M951 PolarHBondContact O-N 3.44Å; L949-M951 VanDerWaalsContact O-N 3.16Å; L949-L952 WeakPolarHBondContact O-CB 3.49Å; L949-L952 PolarHBondContact O-N 2.85Å; L949-D953 PolarHBondContact O-N 2.83Å |
| 950 | M | 90.7 | Very high | 87.6 | Confident | 120 Ų | 120 | 77.4 Ų | 77.4 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -57.5 | -31.4 | 174.6 | -71.1 | 177 | -175.1 | 0 | 0 | 113.3 | E946 S954 | E946-M950 WeakPolarHBondContact O-CB 3.41Å; E946-M950 VanDerWaalsContact O-CG 3.28Å; E946-M950 WeakPolarHBondContact O-CG 3.49Å; E946-M950 PolarHBondContact O-N 3.1Å; M950-S954 VanDerWaalsContact O-CB 3.24Å; M950-S954 WeakPolarHBondContact O-CB 3.32Å; M950-S954 PolarHBondContact O-N 3.02Å; M950-S954 PolarHBondContact O-OG 3.19Å |
| 951 | M | 92.1 | Very high | 87.5 | Confident | 123 Ų | 123 | 83.1 Ų | 83.1 | 61% | 0.606 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.6 | -40.2 | 174.4 | 178.2 | 174.4 | -80.2 | 0 | 0 | 111.9 | T947 T948 L949 S954 I955 | T947-M951 WeakPolarHBondContact O-CB 3.45Å; T947-M951 PolarHBondContact O-N 3.06Å; T948-M951 WeakPolarHBondContact O-CB 3.49Å; T948-M951 PolarHBondContact O-N 3.46Å; L949-M951 PolarHBondContact O-N 3.44Å; L949-M951 VanDerWaalsContact O-N 3.16Å; M951-S954 PolarHBondContact O-N 3.2Å; M951-I955 HydrophobicContact CG-CD1 4.21Å; M951-I955 WeakPolarHBondContact O-CD1 3.5Å; M951-I955 VanDerWaalsContact O-CG1 3.27Å; M951-I955 WeakPolarHBondContact O-CG1 2.91Å; M951-I955 PolarHBondContact O-N 3.18Å; M951-I955 VanDerWaalsContact O-N 3.13Å |
| 952 | L | 90.7 | Very high | 87.5 | Confident | 31 Ų | 31 | 87.7 Ų | 87.7 | 16% | 0.162 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 174.4 | -63.4 | 171.4 | 0 | 0 | 0 | 110.8 | T948 L949 S954 I955 E956 I972 P974 | T948-L952 WeakPolarHBondContact O-CG 3.34Å; T948-L952 PolarHBondContact O-N 3.32Å; T948-L952 VanDerWaalsContact O-N 3.08Å; L949-L952 WeakPolarHBondContact O-CB 3.49Å; L949-L952 PolarHBondContact O-N 2.85Å; L952-S954 VanDerWaalsContact C-N 3.28Å; L952-S954 PolarHBondContact O-N 3.1Å; L952-I955 WeakPolarHBondContact O-CB 3.3Å; L952-I955 PolarHBondContact O-N 3.45Å; L952-E956 PolarHBondContact O-N 2.85Å; L952-I972 HydrophobicContact CB-CG2 4.48Å; L952-I972 HydrophobicContact CD2-CG2 4.02Å; L952-P974 HydrophobicContact CD1-CB 4.23Å; L952-P974 HydrophobicContact CD1-CG 4.38Å |
| 953 | D | 89.7 | Confident | 87.3 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 174.6 | -59.1 | -26.8 | 0 | 0 | 0 | 111.2 | L949 I955 E956 E957 | L949-D953 PolarHBondContact O-N 2.83Å; D953-I955 VanDerWaalsContact C-N 3.31Å; D953-I955 PolarHBondContact O-N 2.84Å; D953-E956 PolarHBondContact O-N 3.48Å; D953-E957 PolarHBondContact O-N 3.2Å |
| 954 | S | 92.2 | Very high | 86.2 | Confident | 68 Ų | 68 | 78.9 Ų | 78.9 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 177 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | M950 M951 L952 S958 | M950-S954 VanDerWaalsContact O-CB 3.24Å; M950-S954 WeakPolarHBondContact O-CB 3.32Å; M950-S954 PolarHBondContact O-N 3.02Å; M950-S954 PolarHBondContact O-OG 3.19Å; M951-S954 PolarHBondContact O-N 3.2Å; L952-S954 VanDerWaalsContact C-N 3.28Å; L952-S954 PolarHBondContact O-N 3.1Å; S954-S958 VanDerWaalsContact O-CB 3.24Å; S954-S958 WeakPolarHBondContact O-CB 3.15Å; S954-S958 PolarHBondContact O-N 3.13Å; S954-S958 VanDerWaalsContact O-N 3.16Å; S954-S958 PolarHBondContact O-OG 2.91Å |
| 955 | I | 90.9 | Very high | 85.1 | Confident | 78 Ų | 78 | 83.3 Ų | 83.3 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74.4 | -42.3 | 174.9 | -67.5 | 161.9 | 0 | 0 | 0 | 109.8 | M951 L952 D953 S958 L959 I972 | M951-I955 HydrophobicContact CG-CD1 4.21Å; M951-I955 WeakPolarHBondContact O-CD1 3.5Å; M951-I955 VanDerWaalsContact O-CG1 3.27Å; M951-I955 WeakPolarHBondContact O-CG1 2.91Å; M951-I955 PolarHBondContact O-N 3.18Å; M951-I955 VanDerWaalsContact O-N 3.13Å; L952-I955 WeakPolarHBondContact O-CB 3.3Å; L952-I955 PolarHBondContact O-N 3.45Å; D953-I955 VanDerWaalsContact C-N 3.31Å; D953-I955 PolarHBondContact O-N 2.84Å; I955-S958 PolarHBondContact O-N 2.68Å; I955-L959 HydrophobicContact CG2-CD1 3.94Å; I955-L959 HydrophobicContact CG2-CG 4.48Å; I955-L959 WeakPolarHBondContact O-CG 3.49Å; I955-L959 PolarHBondContact O-N 2.75Å; I955-I972 HydrophobicContact CG2-CG1 4.35Å; I955-I972 HydrophobicContact CG2-CG2 4.34Å |
| 956 | E | 88.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 86.1 Ų | 86.1 | 21% | 0.21 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.2 | -54.8 | 174.7 | -175.4 | 162.9 | 158.1 | 0 | 0 | 111.6 | L952 D953 S958 L959 E960 P971 I972 | L952-E956 PolarHBondContact O-N 2.85Å; D953-E956 PolarHBondContact O-N 3.48Å; E956-S958 VanDerWaalsContact C-N 3.25Å; E956-S958 PolarHBondContact O-N 3.14Å; E956-L959 PolarHBondContact O-N 3.06Å; E956-L959 VanDerWaalsContact O-N 3.12Å; E956-E960 PolarHBondContact O-N 2.86Å; E956-P971 VanDerWaalsContact OE2-CA 3.26Å; E956-P971 WeakPolarHBondContact OE2-CA 3.44Å; E956-I972 HydrophobicContact CB-CB 4.15Å; E956-I972 HydrophobicContact CB-CG1 3.75Å; E956-I972 HydrophobicContact CG-CG1 4.31Å; E956-I972 PolarHBondContact OE2-N 3.33Å |
| 957 | E | 87.5 | Confident | 82.5 | Confident | 117 Ų | 117 | 89 Ų | 89 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -55.2 | -40.5 | 174.5 | -85.4 | -156.5 | -150.8 | 0 | 0 | 112.4 | D953 R961 | D953-E957 PolarHBondContact O-N 3.2Å; E957-R961 WeakPolarHBondContact O-CB 3.47Å; E957-R961 PolarHBondContact O-N 3.02Å; E957-R961 IonicContact OE2-CZ 3.62Å; E957-R961 IonicContact OE2-NH2 3.52Å; E957-R961 PolarHBondContact OE2-NH2 3.46Å |
| 958 | S | 88.7 | Confident | 81.2 | Confident | 59 Ų | 59 | 88.4 Ų | 88.4 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.4 | -33.8 | -179.4 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | S954 I955 E956 N962 | S954-S958 VanDerWaalsContact O-CB 3.24Å; S954-S958 WeakPolarHBondContact O-CB 3.15Å; S954-S958 PolarHBondContact O-N 3.13Å; S954-S958 VanDerWaalsContact O-N 3.16Å; S954-S958 PolarHBondContact O-OG 2.91Å; I955-S958 PolarHBondContact O-N 2.68Å; E956-S958 VanDerWaalsContact C-N 3.25Å; E956-S958 PolarHBondContact O-N 3.14Å; S958-N962 PolarHBondContact O-N 3.37Å; S958-N962 PolarHBondContact O-ND2 3.29Å |
| 959 | L | 86.9 | Confident | 80.4 | Confident | 61 Ų | 61 | 91 Ų | 91 | 32% | 0.319 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.9 | -50.5 | 175.2 | -72.1 | 168.4 | 0 | 0 | 0 | 111.1 | I955 E956 R961 N962 L963 I972 | I955-L959 HydrophobicContact CG2-CD1 3.94Å; I955-L959 HydrophobicContact CG2-CG 4.48Å; I955-L959 WeakPolarHBondContact O-CG 3.49Å; I955-L959 PolarHBondContact O-N 2.75Å; E956-L959 PolarHBondContact O-N 3.06Å; E956-L959 VanDerWaalsContact O-N 3.12Å; L959-R961 PolarHBondContact O-N 3.14Å; L959-N962 PolarHBondContact O-N 3.19Å; L959-N962 VanDerWaalsContact O-N 3.17Å; L959-L963 HydrophobicContact CD2-CD1 4.37Å; L959-L963 WeakPolarHBondContact O-CB 3.39Å; L959-L963 PolarHBondContact O-N 3.31Å; L959-I972 HydrophobicContact CD1-CD1 3.76Å; L959-I972 HydrophobicContact CD1-CG1 4.2Å |
| 960 | E | 85.6 | Confident | 79.9 | Confident | 49 Ų | 49 | 90.5 Ų | 90.5 | 23% | 0.229 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.1 | -35.2 | 178.3 | -70.1 | -160.7 | 174.5 | 0 | 0 | 112.3 | E956 G964 S969 M970 | E956-E960 PolarHBondContact O-N 2.86Å; E960-G964 VanDerWaalsContact O-CA 3.26Å; E960-G964 WeakPolarHBondContact O-CA 3.41Å; E960-G964 PolarHBondContact O-N 2.84Å; E960-S969 WeakPolarHBondContact OE1-CA 3.27Å; E960-S969 VanDerWaalsContact OE1-CB 3.25Å; E960-S969 WeakPolarHBondContact OE1-CB 3.42Å; E960-S969 PolarHBondContact OE1-OG 2.89Å; E960-M970 PolarHBondContact OE1-N 3.5Å |
| 961 | R | 84.2 | Confident | 79.4 | Confident | 175 Ų | 175 | 88.1 Ų | 88.1 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.8 | -31.6 | 178.8 | -168.7 | -176.8 | -54.7 | 173.7 | 3.2 | 113.7 | E957 L959 | E957-R961 WeakPolarHBondContact O-CB 3.47Å; E957-R961 PolarHBondContact O-N 3.02Å; E957-R961 IonicContact OE2-CZ 3.62Å; E957-R961 IonicContact OE2-NH2 3.52Å; E957-R961 PolarHBondContact OE2-NH2 3.46Å; L959-R961 PolarHBondContact O-N 3.14Å |
| 962 | N | 83.3 | Confident | 79.1 | Confident | 140 Ų | 140 | 84.6 Ų | 84.6 | 75% | 0.749 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -91.2 | -39.3 | -179.8 | -79.1 | -71.2 | 0 | 0 | 0 | 113.3 | S958 L959 | S958-N962 PolarHBondContact O-N 3.37Å; S958-N962 PolarHBondContact O-ND2 3.29Å; L959-N962 PolarHBondContact O-N 3.19Å; L959-N962 VanDerWaalsContact O-N 3.17Å |
| 963 | L | 78.5 | Confident | 78.9 | Confident | 93 Ų | 93 | 91 Ų | 91 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -81.9 | -23.2 | 178.7 | -62.7 | 171.9 | 0 | 0 | 0 | 112.1 | L959 M970 | L959-L963 HydrophobicContact CD2-CD1 4.37Å; L959-L963 WeakPolarHBondContact O-CB 3.39Å; L959-L963 PolarHBondContact O-N 3.31Å; L963-M970 HydrophobicContact CD1-CE 4.41Å; L963-M970 HydrophobicContact CD1-SD 3.65Å |
| 964 | G | 63.4 | Low | 78.6 | Confident | 31 Ų | 31 | 88.6 Ų | 88.6 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | trans | 79 | 153.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E960 A966 | E960-G964 VanDerWaalsContact O-CA 3.26Å; E960-G964 WeakPolarHBondContact O-CA 3.41Å; E960-G964 PolarHBondContact O-N 2.84Å; G964-A966 PolarHBondContact O-N 3.21Å | ||
| 965 | K | 60.7 | Low | 78.5 | Confident | 182 Ų | 182 | 90 Ų | 90 | 79% | 0.791 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -62.7 | 0.8 | -175.2 | -62.1 | -167.7 | 172.9 | -167.5 | 0 | 115.7 | Q967 G968 | K965-Q967 VanDerWaalsContact C-N 3.32Å; K965-Q967 PolarHBondContact O-N 2.93Å; K965-G968 PolarHBondContact O-N 3.2Å |
| 966 | A | 57.7 | Low | 78.2 | Confident | 102 Ų | 102 | 94.9 Ų | 94.9 | 84% | 0.843 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -71.1 | -21.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G964 | G964-A966 PolarHBondContact O-N 3.21Š|
| 967 | Q | 57.9 | Low | 77.8 | Confident | 144 Ų | 144 | 96 Ų | 96 | 67% | 0.673 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -95.1 | 1.4 | 176.1 | -68.9 | -170 | -24.6 | 0 | 0 | 114 | K965 | K965-Q967 VanDerWaalsContact C-N 3.32Å; K965-Q967 PolarHBondContact O-N 2.93Å |
| 968 | G | 62.8 | Low | 77.5 | Confident | 42 Ų | 42 | 95 Ų | 95 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | trans | 84.2 | -173.2 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | K965 | K965-G968 PolarHBondContact O-N 3.2Š| ||
| 969 | S | 70.3 | Confident | 77.1 | Confident | 82 Ų | 82 | 95.2 Ų | 95.2 | 57% | 0.573 | 51% | 0.513 | S | S | * | . | trans | -78.7 | 143 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | E960 P971 | E960-S969 WeakPolarHBondContact OE1-CA 3.27Å; E960-S969 VanDerWaalsContact OE1-CB 3.25Å; E960-S969 WeakPolarHBondContact OE1-CB 3.42Å; E960-S969 PolarHBondContact OE1-OG 2.89Å; S969-P971 VanDerWaalsContact C-CD 3.42Å; S969-P971 VanDerWaalsContact O-CD 3.22Å; S969-P971 WeakPolarHBondContact O-CD 3.28Å | ||
| 970 | M | 75.5 | Confident | 76.7 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 35% | 0.345 | 52% | 0.515 | S | S | . | . | trans | -117.8 | 70.5 | -175.7 | -71 | -167 | 66.7 | 0 | 0 | 112.1 | E960 L963 I972 | E960-M970 PolarHBondContact OE1-N 3.5Å; L963-M970 HydrophobicContact CD1-CE 4.41Å; L963-M970 HydrophobicContact CD1-SD 3.65Å; M970-I972 WeakPolarHBondContact O-CD1 3.27Å; M970-I972 WeakPolarHBondContact O-CG1 3.34Å; M970-I972 PolarHBondContact O-N 3.47Å; M970-I972 VanDerWaalsContact O-N 3.15Å | ||
| 971 | P | 81.1 | Confident | 76.2 | Confident | 71 Ų | 71 | 99.9 Ų | 99.9 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | trans | -63 | 112.6 | -170.1 | 23.6 | -34.6 | 0 | 0 | 0 | 114 | E956 S969 K973 | E956-P971 VanDerWaalsContact OE2-CA 3.26Å; E956-P971 WeakPolarHBondContact OE2-CA 3.44Å; S969-P971 VanDerWaalsContact C-CD 3.42Å; S969-P971 VanDerWaalsContact O-CD 3.22Å; S969-P971 WeakPolarHBondContact O-CD 3.28Å; P971-K973 HydrophobicContact CB-CG 4.33Å; P971-K973 PolarHBondContact O-N 2.87Å; P971-K973 VanDerWaalsContact O-N 3.07Å | ||
| 972 | I | 85.8 | Confident | 75.6 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 25% | 0.251 | 51% | 0.505 | S | S | . | . | trans | -87.8 | 74.3 | -176.6 | -55.1 | -57.4 | 0 | 0 | 0 | 109.8 | L952 I955 E956 L959 M970 | L952-I972 HydrophobicContact CB-CG2 4.48Å; L952-I972 HydrophobicContact CD2-CG2 4.02Å; I955-I972 HydrophobicContact CG2-CG1 4.35Å; I955-I972 HydrophobicContact CG2-CG2 4.34Å; E956-I972 HydrophobicContact CB-CB 4.15Å; E956-I972 HydrophobicContact CB-CG1 3.75Å; E956-I972 HydrophobicContact CG-CG1 4.31Å; E956-I972 PolarHBondContact OE2-N 3.33Å; L959-I972 HydrophobicContact CD1-CD1 3.76Å; L959-I972 HydrophobicContact CD1-CG1 4.2Å; M970-I972 WeakPolarHBondContact O-CD1 3.27Å; M970-I972 WeakPolarHBondContact O-CG1 3.34Å; M970-I972 PolarHBondContact O-N 3.47Å; M970-I972 VanDerWaalsContact O-N 3.15Å | ||
| 973 | K | 85.8 | Confident | 74.9 | Confident | 166 Ų | 166 | 90.5 Ų | 90.5 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 144.7 | -177.3 | -63.6 | -173.7 | 179.5 | -176.4 | 0 | 112.5 | P971 | P971-K973 HydrophobicContact CB-CG 4.33Å; P971-K973 PolarHBondContact O-N 2.87Å; P971-K973 VanDerWaalsContact O-N 3.07Å |
| 974 | P | 84.7 | Confident | 74.2 | Confident | 37 Ų | 37 | 93.1 Ų | 93.1 | 24% | 0.24 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -64 | 144.6 | 170.6 | 28.9 | -34 | 0 | 0 | 0 | 110.6 | L952 Y978 Q979 | L952-P974 HydrophobicContact CD1-CB 4.23Å; L952-P974 HydrophobicContact CD1-CG 4.38Å; P974-Y978 HydrophobicContact CB-CD1 3.8Å; P974-Q979 HydrophobicContact CB-CB 4.42Å; P974-Q979 HydrophobicContact CG-CB 4.35Å |
| 975 | T | 88.1 | Confident | 74.3 | Confident | 96 Ų | 96 | 93 Ų | 93 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 157.7 | 172.7 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | A977 Y978 Q979 | T975-A977 PolarHBondContact O-N 3.2Å; T975-A977 VanDerWaalsContact O-N 3.16Å; T975-Y978 CarbonylContact O-C 3.55Å; T975-Y978 WeakPolarHBondContact O-CA 3.3Å; T975-Y978 PolarHBondContact O-N 3Å; T975-Q979 WeakPolarHBondContact O-CB 3.4Å; T975-Q979 PolarHBondContact O-N 3.2Å |
| 976 | E | 84.6 | Confident | 75.2 | Confident | 181 Ų | 181 | 86.4 Ų | 86.4 | 85% | 0.846 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -51.9 | -41.9 | 178 | -65.1 | -175.9 | 142.8 | 0 | 0 | 112.5 | Y978 Q979 S980 | E976-Y978 PolarHBondContact O-N 2.97Å; E976-Q979 PolarHBondContact O-N 3.4Å; E976-S980 VanDerWaalsContact O-CB 3.27Å; E976-S980 WeakPolarHBondContact O-CB 3.24Å; E976-S980 PolarHBondContact O-N 2.86Å; E976-S980 PolarHBondContact O-OG 3.4Å; E976-S980 VanDerWaalsContact O-OG 3.07Å |
| 977 | A | 80.7 | Confident | 76.4 | Confident | 68 Ų | 68 | 82.2 Ų | 82.2 | 56% | 0.562 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.7 | -15.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T975 S980 | T975-A977 PolarHBondContact O-N 3.2Å; T975-A977 VanDerWaalsContact O-N 3.16Å; A977-S980 PolarHBondContact O-OG 2.89Å |
| 978 | Y | 81.2 | Confident | 77.7 | Confident | 97 Ų | 97 | 78.7 Ų | 78.7 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -100.1 | -42 | 174.7 | -167.5 | -95.7 | 0 | 0 | 0 | 111.3 | T948 P974 T975 E976 S980 R981 L982 | T948-Y978 HydrophobicContact CG2-CE1 3.65Å; T948-Y978 WeakPolarHBondContact CG2-OH 3.2Å; P974-Y978 HydrophobicContact CB-CD1 3.8Å; T975-Y978 CarbonylContact O-C 3.55Å; T975-Y978 WeakPolarHBondContact O-CA 3.3Å; T975-Y978 PolarHBondContact O-N 3Å; E976-Y978 PolarHBondContact O-N 2.97Å; Y978-S980 VanDerWaalsContact C-N 3.28Å; Y978-S980 PolarHBondContact O-N 3.26Å; Y978-R981 WeakPolarHBondContact O-CA 3.48Å; Y978-R981 WeakPolarHBondContact O-CB 3.32Å; Y978-R981 PolarHBondContact O-N 2.84Å; Y978-L982 HydrophobicContact CD1-CD1 4.06Å; Y978-L982 HydrophobicContact CD1-CG 4.33Å; Y978-L982 HydrophobicContact CE1-CD1 4.01Å; Y978-L982 HydrophobicContact CE1-CD2 4.23Å; Y978-L982 HydrophobicContact CE1-CG 4.21Å; Y978-L982 PolarHBondContact O-N 3.31Å; Y978-L982 VanDerWaalsContact O-N 3.14Å |
| 979 | Q | 81 | Confident | 78.7 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -55.2 | -44.5 | 170.8 | -175.2 | 58.5 | 41.9 | 0 | 0 | 110.9 | P974 T975 E976 R981 L982 D983 | P974-Q979 HydrophobicContact CB-CB 4.42Å; P974-Q979 HydrophobicContact CG-CB 4.35Å; T975-Q979 WeakPolarHBondContact O-CB 3.4Å; T975-Q979 PolarHBondContact O-N 3.2Å; E976-Q979 PolarHBondContact O-N 3.4Å; Q979-R981 PolarHBondContact O-N 3.06Å; Q979-R981 VanDerWaalsContact O-N 3.14Å; Q979-L982 WeakPolarHBondContact O-CB 3.47Å; Q979-L982 PolarHBondContact O-N 3.38Å; Q979-D983 WeakPolarHBondContact CG-OD2 3.35Å; Q979-D983 PolarHBondContact NE2-OD1 3.35Å; Q979-D983 PolarHBondContact NE2-OD2 2.59Å; Q979-D983 PolarHBondContact O-N 3.05Å |
| 980 | S | 77.6 | Confident | 79.4 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.7 | -19.6 | 173.9 | 67.9 | 0 | 0 | 0 | 0 | 114 | E976 A977 Y978 F984 | E976-S980 VanDerWaalsContact O-CB 3.27Å; E976-S980 WeakPolarHBondContact O-CB 3.24Å; E976-S980 PolarHBondContact O-N 2.86Å; E976-S980 PolarHBondContact O-OG 3.4Å; E976-S980 VanDerWaalsContact O-OG 3.07Å; A977-S980 PolarHBondContact O-OG 2.89Å; Y978-S980 VanDerWaalsContact C-N 3.28Å; Y978-S980 PolarHBondContact O-N 3.26Å; S980-F984 VanDerWaalsContact O-CB 3.32Å; S980-F984 WeakPolarHBondContact O-CB 3.34Å; S980-F984 WeakPolarHBondContact O-CD2 3.2Å; S980-F984 PolarHBondContact O-N 3.29Å |
| 981 | R | 75.7 | Confident | 80.1 | Confident | 154 Ų | 154 | 76 Ų | 76 | 58% | 0.581 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -81.9 | -36 | 171.6 | -65.5 | 178.6 | -176.3 | -160.4 | -1.8 | 111.9 | Y978 Q979 A985 | Y978-R981 WeakPolarHBondContact O-CA 3.48Å; Y978-R981 WeakPolarHBondContact O-CB 3.32Å; Y978-R981 PolarHBondContact O-N 2.84Å; Q979-R981 PolarHBondContact O-N 3.06Å; Q979-R981 VanDerWaalsContact O-N 3.14Å; R981-A985 WeakPolarHBondContact O-CB 3.37Å; R981-A985 PolarHBondContact O-N 3.39Å; R981-A985 VanDerWaalsContact O-N 3.16Å |
| 982 | L | 72.1 | Confident | 80.5 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 174.4 | -59.7 | 172.8 | 0 | 0 | 0 | 111 | N945 T948 Y978 Q979 | N945-L982 PolarHBondContact ND2-O 3.24Å; N945-L982 VanDerWaalsContact OD1-CD2 3.32Å; N945-L982 WeakPolarHBondContact OD1-CD2 3.49Å; T948-L982 HydrophobicContact CG2-CD1 4.39Å; T948-L982 HydrophobicContact CG2-CD2 3.95Å; Y978-L982 HydrophobicContact CD1-CD1 4.06Å; Y978-L982 HydrophobicContact CD1-CG 4.33Å; Y978-L982 HydrophobicContact CE1-CD1 4.01Å; Y978-L982 HydrophobicContact CE1-CD2 4.23Å; Y978-L982 HydrophobicContact CE1-CG 4.21Å; Y978-L982 PolarHBondContact O-N 3.31Å; Y978-L982 VanDerWaalsContact O-N 3.14Å; Q979-L982 WeakPolarHBondContact O-CB 3.47Å; Q979-L982 PolarHBondContact O-N 3.38Å |
| 983 | D | 68.3 | Low | 80.7 | Confident | 102 Ų | 102 | 74 Ų | 74 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.4 | -33.5 | -176.5 | -64.9 | -29.3 | 0 | 0 | 0 | 113.6 | Q979 | Q979-D983 WeakPolarHBondContact CG-OD2 3.35Å; Q979-D983 PolarHBondContact NE2-OD1 3.35Å; Q979-D983 PolarHBondContact NE2-OD2 2.59Å; Q979-D983 PolarHBondContact O-N 3.05Å |
| 984 | F | 63.2 | Low | 80.9 | Confident | 148 Ų | 148 | 67.2 Ų | 67.2 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 19 | 178.8 | -64.5 | -97.1 | 0 | 0 | 0 | 113.6 | S980 S986 | S980-F984 VanDerWaalsContact O-CB 3.32Å; S980-F984 WeakPolarHBondContact O-CB 3.34Å; S980-F984 WeakPolarHBondContact O-CD2 3.2Å; S980-F984 PolarHBondContact O-N 3.29Å; F984-S986 WeakPolarHBondContact O-CB 3.4Å; F984-S986 PolarHBondContact O-N 3.01Å; F984-S986 PolarHBondContact O-OG 2.7Å |
| 985 | A | 66.3 | Low | 81.4 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | trans | -57.5 | 106.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F941 R981 | F941-A985 HydrophobicContact CD1-CB 3.53Å; F941-A985 HydrophobicContact CE1-CB 3.68Å; F941-A985 WeakPolarHBondContact CE2-O 3.22Å; F941-A985 HydrophobicContact CG-CB 4.19Å; F941-A985 VanDerWaalsContact CZ-C 3.46Å; F941-A985 HydrophobicContact CZ-CB 4.47Å; F941-A985 WeakPolarHBondContact CZ-O 3.47Å; R981-A985 WeakPolarHBondContact O-CB 3.37Å; R981-A985 PolarHBondContact O-N 3.39Å; R981-A985 VanDerWaalsContact O-N 3.16Å | ||
| 986 | S | 78.4 | Confident | 81.6 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | trans | -150 | 158.5 | -165.6 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | F984 E988 H989 I990 | F984-S986 WeakPolarHBondContact O-CB 3.4Å; F984-S986 PolarHBondContact O-N 3.01Å; F984-S986 PolarHBondContact O-OG 2.7Å; S986-E988 PolarHBondContact O-N 3.36Å; S986-H989 PolarHBondContact O-N 2.83Å; S986-H989 WeakPolarHBondContact OG-CB 3.35Å; S986-H989 PolarHBondContact OG-N 2.81Å; S986-I990 PolarHBondContact O-N 2.87Å | ||
| 987 | E | 83.3 | Confident | 82.1 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.3 | -40.4 | 175 | -177 | 177.2 | -92 | 0 | 0 | 111 | I748 H749 K929 S935 F936 I990 V991 | I748-E987 HydrophobicContact CG1-CG 4.09Å; H749-E987 IonicContact CE1-OE2 2.9Å; H749-E987 IonicContact CG-OE2 3.69Å; H749-E987 PolarHBondContact N-OE2 3Å; H749-E987 IonicContact ND1-OE2 3.87Å; H749-E987 PolarHBondContact ND1-OE2 3.37Å; K929-E987 WeakPolarHBondContact CD-OE1 3.48Å; K929-E987 WeakPolarHBondContact CE-OE1 3.4Å; K929-E987 VanDerWaalsContact NZ-CD 3.29Å; K929-E987 IonicContact NZ-OE1 3.87Å; K929-E987 PolarHBondContact NZ-OE1 2.94Å; K929-E987 IonicContact NZ-OE2 2.7Å; K929-E987 PolarHBondContact NZ-OE2 3.35Å; S935-E987 WeakPolarHBondContact CA-OE1 3.2Å; S935-E987 WeakPolarHBondContact CB-OE1 3.43Å; F936-E987 HydrophobicContact CB-CG 4.41Å; F936-E987 HydrophobicContact CD2-CG 4.36Å; E987-I990 PolarHBondContact O-N 3.1Å; E987-V991 WeakPolarHBondContact O-CB 3.03Å; E987-V991 VanDerWaalsContact O-CG2 3.24Å; E987-V991 WeakPolarHBondContact O-CG2 3.36Å; E987-V991 PolarHBondContact O-N 2.83Å |
| 988 | E | 85.3 | Confident | 82.8 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 174.1 | 176.2 | 160.4 | 177.9 | 0 | 0 | 112.7 | H749 Q753 S986 I990 V991 N992 | H749-E988 HydrophobicContact CB-CB 3.88Å; Q753-E988 PolarHBondContact NE2-OE1 1.77Å; S986-E988 PolarHBondContact O-N 3.36Å; E988-I990 PolarHBondContact O-N 3.29Å; E988-V991 PolarHBondContact O-N 3.31Å; E988-N992 WeakPolarHBondContact CG-ND2 3.44Å; E988-N992 WeakPolarHBondContact O-CB 3.46Å; E988-N992 PolarHBondContact O-N 3.22Å; E988-N992 PolarHBondContact O-ND2 2.98Å; E988-N992 PolarHBondContact OE1-ND2 3.3Å |
| 989 | H | 83.7 | Confident | 83.5 | Confident | 72 Ų | 72 | 53.2 Ų | 53.2 | 33% | 0.333 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 178.9 | -170.7 | 83.6 | 0 | 0 | 0 | 111.5 | S986 N992 C993 | S986-H989 PolarHBondContact O-N 2.83Å; S986-H989 WeakPolarHBondContact OG-CB 3.35Å; S986-H989 PolarHBondContact OG-N 2.81Å; H989-N992 PolarHBondContact O-N 3.21Å; H989-C993 PolarHBondContact NE2-SG 3Å; H989-C993 VanDerWaalsContact NE2-SG 3.44Å; H989-C993 WeakPolarHBondContact O-CB 3.08Å; H989-C993 PolarHBondContact O-N 3.34Å; H989-C993 PolarHBondContact O-SG 2.72Å; H989-C993 VanDerWaalsContact O-SG 3.4Å |
| 990 | I | 84.9 | Confident | 84.2 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 33% | 0.328 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 176.3 | -66.2 | 172.5 | 0 | 0 | 0 | 110.7 | F936 F941 S986 E987 E988 N992 C993 G994 | F936-I990 HydrophobicContact CB-CB 4.49Å; F936-I990 HydrophobicContact CB-CD1 3.82Å; F936-I990 HydrophobicContact CB-CG2 4.2Å; F936-I990 HydrophobicContact CG-CG2 4.44Å; F941-I990 HydrophobicContact CE1-CD1 3.74Å; F941-I990 HydrophobicContact CE1-CG1 4.48Å; F941-I990 HydrophobicContact CZ-CD1 3.7Å; S986-I990 PolarHBondContact O-N 2.87Å; E987-I990 PolarHBondContact O-N 3.1Å; E988-I990 PolarHBondContact O-N 3.29Å; I990-N992 PolarHBondContact O-N 2.83Å; I990-C993 PolarHBondContact O-N 3.16Å; I990-G994 PolarHBondContact O-N 2.73Å |
| 991 | V | 89.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 178.1 | 163.3 | 0 | 0 | 0 | 0 | 112 | I748 V922 F925 E987 E988 L995 | I748-V991 HydrophobicContact CD1-CG2 3.43Å; I748-V991 VanDerWaalsContact CD1-CG2 3.43Å; I748-V991 HydrophobicContact CG1-CG2 3.83Å; V922-V991 HydrophobicContact CB-CG1 4.36Å; V922-V991 HydrophobicContact CG1-CG1 3.6Å; V922-V991 HydrophobicContact CG2-CG1 3.8Å; F925-V991 HydrophobicContact CD2-CG1 4.28Å; F925-V991 HydrophobicContact CD2-CG2 4.32Å; E987-V991 WeakPolarHBondContact O-CB 3.03Å; E987-V991 VanDerWaalsContact O-CG2 3.24Å; E987-V991 WeakPolarHBondContact O-CG2 3.36Å; E987-V991 PolarHBondContact O-N 2.83Å; E988-V991 PolarHBondContact O-N 3.31Å; V991-L995 VanDerWaalsContact O-CB 3.26Å; V991-L995 WeakPolarHBondContact O-CB 3.45Å; V991-L995 PolarHBondContact O-N 3.08Å |
| 992 | N | 90 | Very high | 86.1 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | -179.8 | -74.3 | -41.7 | 0 | 0 | 0 | 112.1 | R757 E988 H989 I990 A996 | R757-N992 WeakPolarHBondContact CD-OD1 3.19Å; R757-N992 VanDerWaalsContact CZ-OD1 3.29Å; R757-N992 PolarHBondContact NE-OD1 3.25Å; R757-N992 PolarHBondContact NH1-ND2 3.28Å; R757-N992 PolarHBondContact NH1-OD1 3Å; E988-N992 WeakPolarHBondContact CG-ND2 3.44Å; E988-N992 WeakPolarHBondContact O-CB 3.46Å; E988-N992 PolarHBondContact O-N 3.22Å; E988-N992 PolarHBondContact O-ND2 2.98Å; E988-N992 PolarHBondContact OE1-ND2 3.3Å; H989-N992 PolarHBondContact O-N 3.21Å; I990-N992 PolarHBondContact O-N 2.83Å; N992-A996 PolarHBondContact O-N 2.67Å |
| 993 | C | 89.5 | Confident | 87.2 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 43% | 0.432 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.2 | -40.9 | 177.7 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | H989 I990 L995 A996 Y997 | H989-C993 PolarHBondContact NE2-SG 3Å; H989-C993 VanDerWaalsContact NE2-SG 3.44Å; H989-C993 WeakPolarHBondContact O-CB 3.08Å; H989-C993 PolarHBondContact O-N 3.34Å; H989-C993 PolarHBondContact O-SG 2.72Å; H989-C993 VanDerWaalsContact O-SG 3.4Å; I990-C993 PolarHBondContact O-N 3.16Å; C993-L995 VanDerWaalsContact C-N 3.35Å; C993-L995 PolarHBondContact O-N 3.27Å; C993-A996 PolarHBondContact O-N 3.48Å; C993-Y997 PolarHBondContact O-N 2.81Å |
| 994 | G | 91.7 | Very high | 88.4 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I990 Y997 T998 | I990-G994 PolarHBondContact O-N 2.73Å; G994-Y997 PolarHBondContact O-N 3.05Å; G994-T998 PolarHBondContact O-N 3.45Å; G994-T998 PolarHBondContact O-OG1 3.17Å |
| 995 | L | 93.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.4 | 172.6 | 61 | 0 | 0 | 0 | 111.9 | A754 R757 T921 V922 V991 C993 T998 M999 | A754-L995 HydrophobicContact CB-CD2 4.47Å; R757-L995 HydrophobicContact CB-CD2 4.12Å; R757-L995 HydrophobicContact CG-CD2 4.43Å; T921-L995 HydrophobicContact CG2-CD1 4.2Å; V922-L995 HydrophobicContact CG2-CB 4.31Å; V922-L995 HydrophobicContact CG2-CD1 4.46Å; V922-L995 HydrophobicContact CG2-CD2 4.1Å; V991-L995 VanDerWaalsContact O-CB 3.26Å; V991-L995 WeakPolarHBondContact O-CB 3.45Å; V991-L995 PolarHBondContact O-N 3.08Å; C993-L995 VanDerWaalsContact C-N 3.35Å; C993-L995 PolarHBondContact O-N 3.27Å; L995-T998 PolarHBondContact O-N 3.49Å; L995-M999 HydrophobicContact CD1-CG 4Å; L995-M999 HydrophobicContact CD1-SD 4.5Å; L995-M999 WeakPolarHBondContact O-CG 3.27Å; L995-M999 PolarHBondContact O-N 2.98Å |
| 996 | A | 93.5 | Very high | 91.3 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N761 N992 C993 T998 M999 E1000 | N761-A996 WeakPolarHBondContact ND2-CA 3.24Å; N992-A996 PolarHBondContact O-N 2.67Å; C993-A996 PolarHBondContact O-N 3.48Å; A996-T998 PolarHBondContact O-N 3.09Å; A996-M999 PolarHBondContact O-N 3.14Å; A996-E1000 WeakPolarHBondContact O-CB 3.39Å; A996-E1000 PolarHBondContact O-N 3.36Å |
| 997 | Y | 95.1 | Very high | 92.1 | Very high | 133 Ų | 133 | 41.3 Ų | 41.3 | 52% | 0.522 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.5 | -46.8 | 176.1 | 174.5 | -95.2 | 0 | 0 | 0 | 112.6 | C993 G994 E1000 R1001 | C993-Y997 PolarHBondContact O-N 2.81Å; G994-Y997 PolarHBondContact O-N 3.05Å; Y997-E1000 PolarHBondContact O-N 3Å; Y997-R1001 WeakPolarHBondContact O-CB 3.36Å; Y997-R1001 PolarHBondContact O-N 3.5Å; Y997-R1001 PolarHBondContact OH-NH1 2.94Å |
| 998 | T | 95.3 | Very high | 92.6 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 178.3 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | V658 T921 G994 L995 A996 S1002 | V658-T998 HydrophobicContact CB-CG2 3.78Å; V658-T998 HydrophobicContact CG1-CG2 4.24Å; V658-T998 WeakPolarHBondContact O-CG2 3.49Å; T921-T998 HydrophobicContact CG2-CG2 3.89Å; G994-T998 PolarHBondContact O-N 3.45Å; G994-T998 PolarHBondContact O-OG1 3.17Å; L995-T998 PolarHBondContact O-N 3.49Å; A996-T998 PolarHBondContact O-N 3.09Å; T998-S1002 WeakPolarHBondContact O-CB 3.26Å; T998-S1002 PolarHBondContact O-N 2.91Å; T998-S1002 PolarHBondContact O-OG 2.8Å |
| 999 | M | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.9 | -66.2 | -52.9 | -70.1 | 0 | 0 | 112 | G758 N761 F914 L995 A996 A1003 | G758-M999 VanDerWaalsContact O-CE 3.26Å; G758-M999 WeakPolarHBondContact O-CE 3.35Å; N761-M999 HydrophobicContact CB-CB 3.86Å; N761-M999 HydrophobicContact CB-CG 4.09Å; F914-M999 HydrophobicContact CD2-CE 3.93Å; F914-M999 HydrophobicContact CE1-CE 4.09Å; F914-M999 HydrophobicContact CE2-CE 3.44Å; F914-M999 VanDerWaalsContact CE2-CE 3.44Å; F914-M999 VanDerWaalsContact CE2-O 3.31Å; F914-M999 WeakPolarHBondContact CE2-O 3.48Å; F914-M999 HydrophobicContact CE2-SD 4.14Å; F914-M999 HydrophobicContact CG-CE 4.43Å; F914-M999 HydrophobicContact CZ-CB 4.47Å; F914-M999 HydrophobicContact CZ-CE 3.51Å; F914-M999 WeakPolarHBondContact CZ-O 3.32Å; F914-M999 VanDerWaalsContact O-CE 3.28Å; F914-M999 WeakPolarHBondContact O-CE 3.32Å; L995-M999 HydrophobicContact CD1-CG 4Å; L995-M999 HydrophobicContact CD1-SD 4.5Å; L995-M999 WeakPolarHBondContact O-CG 3.27Å; L995-M999 PolarHBondContact O-N 2.98Å; A996-M999 PolarHBondContact O-N 3.14Å; M999-A1003 WeakPolarHBondContact O-CB 3.42Å; M999-A1003 PolarHBondContact O-N 3.26Å |
| 1000 | E | 95.5 | Very high | 93.4 | Very high | 83 Ų | 83 | 40.7 Ų | 40.7 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 178 | -168.4 | -161.1 | 147.7 | 0 | 0 | 112.4 | V765 A996 Y997 S1002 A1003 K1004 | V765-E1000 HydrophobicContact CG2-CB 4.33Å; V765-E1000 HydrophobicContact CG2-CG 4.13Å; A996-E1000 WeakPolarHBondContact O-CB 3.39Å; A996-E1000 PolarHBondContact O-N 3.36Å; Y997-E1000 PolarHBondContact O-N 3Å; E1000-S1002 PolarHBondContact O-N 3.29Å; E1000-A1003 PolarHBondContact O-N 3.16Å; E1000-K1004 HydrophobicContact CG-CD 4.31Å; E1000-K1004 WeakPolarHBondContact O-CB 3.28Å; E1000-K1004 WeakPolarHBondContact O-CG 3.47Å; E1000-K1004 PolarHBondContact O-N 3.29Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.22Å; E1000-K1004 IonicContact OE1-NZ 2.63Å; E1000-K1004 PolarHBondContact OE1-NZ 2.67Å |
| 1001 | R | 96.1 | Very high | 93.7 | Very high | 122 Ų | 122 | 43.7 Ų | 43.7 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 176.6 | 177.2 | -177.3 | 169.7 | 103.3 | 4.4 | 111.4 | D659 Y997 K1004 S1005 | D659-R1001 IonicContact OD2-CZ 3.36Å; D659-R1001 VanDerWaalsContact OD2-CZ 3.3Å; D659-R1001 IonicContact OD2-NE 3.05Å; D659-R1001 PolarHBondContact OD2-NE 3.02Å; D659-R1001 IonicContact OD2-NH2 2.93Å; D659-R1001 PolarHBondContact OD2-NH2 3.48Å; Y997-R1001 WeakPolarHBondContact O-CB 3.36Å; Y997-R1001 PolarHBondContact O-N 3.5Å; Y997-R1001 PolarHBondContact OH-NH1 2.94Å; R1001-K1004 PolarHBondContact O-N 2.97Å; R1001-S1005 WeakPolarHBondContact O-CB 3.33Å; R1001-S1005 PolarHBondContact O-N 3.49Å |
| 1002 | S | 96.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.6 | -39 | -179.3 | -70.5 | 0 | 0 | 0 | 0 | 113.2 | V657 V658 T998 E1000 K1004 S1005 I1006 | V657-S1002 PolarHBondContact O-OG 2.73Å; V658-S1002 WeakPolarHBondContact CA-OG 3.3Å; T998-S1002 WeakPolarHBondContact O-CB 3.26Å; T998-S1002 PolarHBondContact O-N 2.91Å; T998-S1002 PolarHBondContact O-OG 2.8Å; E1000-S1002 PolarHBondContact O-N 3.29Å; S1002-K1004 PolarHBondContact O-N 2.96Å; S1002-S1005 PolarHBondContact O-N 3.48Å; S1002-I1006 VanDerWaalsContact O-CG1 3.3Å; S1002-I1006 WeakPolarHBondContact O-CG1 3.43Å; S1002-I1006 PolarHBondContact O-N 3.49Å |
| 1003 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -50 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V765 F766 F914 M999 E1000 S1005 I1006 M1007 | V765-A1003 HydrophobicContact CB-CB 3.83Å; V765-A1003 HydrophobicContact CG1-CB 3.59Å; V765-A1003 HydrophobicContact CG2-CB 4.26Å; F766-A1003 HydrophobicContact CE2-CB 3.87Å; F766-A1003 HydrophobicContact CZ-CB 4.42Å; F914-A1003 HydrophobicContact CE1-CB 4.17Å; F914-A1003 HydrophobicContact CE2-CB 4.24Å; F914-A1003 HydrophobicContact CZ-CB 3.64Å; M999-A1003 WeakPolarHBondContact O-CB 3.42Å; M999-A1003 PolarHBondContact O-N 3.26Å; E1000-A1003 PolarHBondContact O-N 3.16Å; A1003-S1005 VanDerWaalsContact C-N 3.3Å; A1003-S1005 PolarHBondContact O-N 3.05Å; A1003-I1006 PolarHBondContact O-N 2.98Å; A1003-M1007 VanDerWaalsContact O-CG 3.31Å; A1003-M1007 WeakPolarHBondContact O-CG 3.4Å; A1003-M1007 PolarHBondContact O-N 2.94Å |
| 1004 | K | 95 | Very high | 93.7 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 176.7 | -72.5 | 174.8 | 176.5 | 179.2 | 0 | 112.1 | E1000 R1001 S1002 M1007 Q1008 | E1000-K1004 HydrophobicContact CG-CD 4.31Å; E1000-K1004 WeakPolarHBondContact O-CB 3.28Å; E1000-K1004 WeakPolarHBondContact O-CG 3.47Å; E1000-K1004 PolarHBondContact O-N 3.29Å; E1000-K1004 WeakPolarHBondContact OE1-CE 3.22Å; E1000-K1004 IonicContact OE1-NZ 2.63Å; E1000-K1004 PolarHBondContact OE1-NZ 2.67Å; R1001-K1004 PolarHBondContact O-N 2.97Å; S1002-K1004 PolarHBondContact O-N 2.96Å; K1004-M1007 PolarHBondContact O-N 3.41Å; K1004-Q1008 WeakPolarHBondContact O-CB 3.27Å; K1004-Q1008 VanDerWaalsContact O-CG 3.25Å; K1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; K1004-Q1008 PolarHBondContact O-N 3.43Å |
| 1005 | S | 94.8 | Very high | 93.6 | Very high | 30 Ų | 30 | 52 Ų | 52 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | 175.6 | -163.8 | 0 | 0 | 0 | 0 | 112.4 | R1001 S1002 A1003 Q1008 T1009 N1026 | R1001-S1005 WeakPolarHBondContact O-CB 3.33Å; R1001-S1005 PolarHBondContact O-N 3.49Å; S1002-S1005 PolarHBondContact O-N 3.48Å; A1003-S1005 VanDerWaalsContact C-N 3.3Å; A1003-S1005 PolarHBondContact O-N 3.05Å; S1005-Q1008 WeakPolarHBondContact O-CB 3.46Å; S1005-Q1008 PolarHBondContact O-N 3.37Å; S1005-T1009 PolarHBondContact O-N 3.3Å; S1005-T1009 PolarHBondContact O-OG1 3.21Å; S1005-N1026 PolarHBondContact OG-ND2 2.82Å |
| 1006 | I | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.2 | -63.8 | 161.5 | 0 | 0 | 0 | 110.7 | V657 F914 S1002 A1003 Q1008 T1009 A1010 L1019 A1022 A1023 | V657-I1006 HydrophobicContact CG1-CD1 3.88Å; V657-I1006 HydrophobicContact CG1-CG1 4.42Å; F914-I1006 HydrophobicContact CB-CD1 3.71Å; F914-I1006 HydrophobicContact CD1-CD1 4.34Å; F914-I1006 HydrophobicContact CD2-CD1 3.83Å; F914-I1006 HydrophobicContact CG-CD1 3.67Å; S1002-I1006 VanDerWaalsContact O-CG1 3.3Å; S1002-I1006 WeakPolarHBondContact O-CG1 3.43Å; S1002-I1006 PolarHBondContact O-N 3.49Å; A1003-I1006 PolarHBondContact O-N 2.98Å; I1006-Q1008 VanDerWaalsContact C-N 3.29Å; I1006-Q1008 PolarHBondContact O-N 2.98Å; I1006-T1009 PolarHBondContact O-N 3.45Å; I1006-A1010 WeakPolarHBondContact O-CB 3.39Å; I1006-A1010 PolarHBondContact O-N 3.41Å; I1006-L1019 HydrophobicContact CG2-CD2 4.09Å; I1006-A1022 HydrophobicContact CG2-CB 3.98Å; I1006-A1023 HydrophobicContact CD1-CB 4.27Å; I1006-A1023 HydrophobicContact CG1-CB 4.37Å |
| 1007 | M | 94.1 | Very high | 93 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 174.9 | -68.4 | 177.4 | 178.5 | 0 | 0 | 112.2 | V765 F766 Y772 A1003 K1004 K1011 | V765-M1007 HydrophobicContact CG1-CE 4.11Å; F766-M1007 HydrophobicContact CD1-CE 3.38Å; F766-M1007 HydrophobicContact CD2-CE 4.25Å; F766-M1007 HydrophobicContact CE1-CE 3.4Å; F766-M1007 HydrophobicContact CE1-CG 3.92Å; F766-M1007 HydrophobicContact CE2-CE 4.27Å; F766-M1007 HydrophobicContact CG-CE 3.83Å; F766-M1007 HydrophobicContact CZ-CE 3.87Å; F766-M1007 HydrophobicContact CZ-CG 4.21Å; Y772-M1007 HydrophobicContact CD2-CE 4.08Å; Y772-M1007 HydrophobicContact CE2-CE 3.9Å; Y772-M1007 HydrophobicContact CE2-CG 3.79Å; Y772-M1007 HydrophobicContact CE2-SD 4.01Å; A1003-M1007 VanDerWaalsContact O-CG 3.31Å; A1003-M1007 WeakPolarHBondContact O-CG 3.4Å; A1003-M1007 PolarHBondContact O-N 2.94Å; K1004-M1007 PolarHBondContact O-N 3.41Å; M1007-K1011 WeakPolarHBondContact O-CG 3.34Å; M1007-K1011 PolarHBondContact O-N 3.14Å |
| 1008 | Q | 93.9 | Very high | 92.9 | Very high | 132 Ų | 132 | 47.7 Ų | 47.7 | 62% | 0.617 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68.1 | -41.9 | 174 | -74.7 | 169.3 | -2.7 | 0 | 0 | 111.7 | K1004 S1005 I1006 K1011 K1012 | K1004-Q1008 WeakPolarHBondContact O-CB 3.27Å; K1004-Q1008 VanDerWaalsContact O-CG 3.25Å; K1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; K1004-Q1008 PolarHBondContact O-N 3.43Å; S1005-Q1008 WeakPolarHBondContact O-CB 3.46Å; S1005-Q1008 PolarHBondContact O-N 3.37Å; I1006-Q1008 VanDerWaalsContact C-N 3.29Å; I1006-Q1008 PolarHBondContact O-N 2.98Å; Q1008-K1011 PolarHBondContact O-N 3.24Å; Q1008-K1012 WeakPolarHBondContact O-CB 3.33Å; Q1008-K1012 PolarHBondContact O-N 3.41Å |
| 1009 | T | 93.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | S1005 I1006 K1011 K1012 Y1013 A1022 A1025 N1026 | S1005-T1009 PolarHBondContact O-N 3.3Å; S1005-T1009 PolarHBondContact O-OG1 3.21Å; I1006-T1009 PolarHBondContact O-N 3.45Å; T1009-K1011 PolarHBondContact O-N 2.8Å; T1009-K1012 PolarHBondContact O-N 3.36Å; T1009-K1012 VanDerWaalsContact O-N 3.1Å; T1009-Y1013 HydrophobicContact CG2-CD2 3.69Å; T1009-Y1013 HydrophobicContact CG2-CE2 3.96Å; T1009-Y1013 WeakPolarHBondContact O-CD2 3.49Å; T1009-Y1013 PolarHBondContact O-N 3.05Å; T1009-Y1013 VanDerWaalsContact O-N 3.09Å; T1009-A1022 HydrophobicContact CG2-CB 4.39Å; T1009-A1022 WeakPolarHBondContact CG2-O 3.27Å; T1009-A1025 HydrophobicContact CG2-CB 3.82Å; T1009-N1026 HydrophobicContact CG2-CB 4.22Å; T1009-N1026 PolarHBondContact OG1-ND2 2.94Å |
| 1010 | A | 93.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.5 | -34.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1006 N1014 L1015 L1019 A1022 | I1006-A1010 WeakPolarHBondContact O-CB 3.39Å; I1006-A1010 PolarHBondContact O-N 3.41Å; A1010-N1014 CarbonylContact O-C 3.6Å; A1010-N1014 WeakPolarHBondContact O-CA 3.26Å; A1010-N1014 PolarHBondContact O-N 3.08Å; A1010-N1014 VanDerWaalsContact O-N 3.08Å; A1010-L1015 PolarHBondContact O-N 2.69Å; A1010-L1019 HydrophobicContact CB-CD2 4.3Å; A1010-A1022 HydrophobicContact CB-CB 3.86Å |
| 1011 | K | 92.1 | Very high | 92.9 | Very high | 126 Ų | 126 | 43.2 Ų | 43.2 | 55% | 0.548 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -79 | -42 | 172.6 | -68 | 175.6 | -178.7 | -176.3 | 0 | 113.3 | E771 M1007 Q1008 T1009 Y1013 N1014 | E771-K1011 WeakPolarHBondContact OE2-CE 3.37Å; E771-K1011 IonicContact OE2-NZ 3.88Å; E771-K1011 PolarHBondContact OE2-NZ 2.95Å; M1007-K1011 WeakPolarHBondContact O-CG 3.34Å; M1007-K1011 PolarHBondContact O-N 3.14Å; Q1008-K1011 PolarHBondContact O-N 3.24Å; T1009-K1011 PolarHBondContact O-N 2.8Å; K1011-Y1013 PolarHBondContact O-N 3.44Å; K1011-Y1013 VanDerWaalsContact O-N 3.14Å; K1011-N1014 PolarHBondContact O-N 2.85Å |
| 1012 | K | 89.6 | Confident | 92.9 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 29% | 0.287 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.1 | -27.9 | 178.1 | -173.8 | -176.9 | -179.4 | -148.4 | 0 | 112.6 | K567 E571 Q1008 T1009 E1029 | K567-K1012 PolarHBondContact NZ-O 2.89Å; E571-K1012 WeakPolarHBondContact OE1-CE 3.37Å; E571-K1012 IonicContact OE1-NZ 3.73Å; E571-K1012 PolarHBondContact OE1-NZ 3.5Å; E571-K1012 IonicContact OE2-NZ 3.37Å; E571-K1012 PolarHBondContact OE2-NZ 3.02Å; Q1008-K1012 WeakPolarHBondContact O-CB 3.33Å; Q1008-K1012 PolarHBondContact O-N 3.41Å; T1009-K1012 PolarHBondContact O-N 3.36Å; T1009-K1012 VanDerWaalsContact O-N 3.1Å; K1012-E1029 IonicContact NZ-OE1 2.76Å; K1012-E1029 PolarHBondContact NZ-OE1 2.9Å; K1012-E1029 IonicContact NZ-OE2 2.74Å |
| 1013 | Y | 89.4 | Confident | 92.9 | Very high | 31 Ų | 31 | 37.3 Ų | 37.3 | 12% | 0.122 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 8.6 | -176.4 | -61.2 | -76.2 | 0 | 0 | 0 | 114.4 | A563 I564 K567 T1009 K1011 L1015 E1029 | A563-Y1013 WeakPolarHBondContact O-CD1 3.47Å; I564-Y1013 HydrophobicContact CB-CE1 3.88Å; I564-Y1013 HydrophobicContact CG2-CD1 4.01Å; I564-Y1013 HydrophobicContact CG2-CD2 4.1Å; I564-Y1013 HydrophobicContact CG2-CE1 3.58Å; I564-Y1013 HydrophobicContact CG2-CE2 3.7Å; I564-Y1013 HydrophobicContact CG2-CG 4.25Å; I564-Y1013 VanDerWaalsContact CG2-CZ 3.44Å; K567-Y1013 HydrophobicContact CB-CE1 3.83Å; K567-Y1013 HydrophobicContact CD-CD1 4.09Å; K567-Y1013 HydrophobicContact CD-CE1 3.37Å; K567-Y1013 HydrophobicContact CG-CE1 4.19Å; T1009-Y1013 HydrophobicContact CG2-CD2 3.69Å; T1009-Y1013 HydrophobicContact CG2-CE2 3.96Å; T1009-Y1013 WeakPolarHBondContact O-CD2 3.49Å; T1009-Y1013 PolarHBondContact O-N 3.05Å; T1009-Y1013 VanDerWaalsContact O-N 3.09Å; K1011-Y1013 PolarHBondContact O-N 3.44Å; K1011-Y1013 VanDerWaalsContact O-N 3.14Å; Y1013-L1015 VanDerWaalsContact C-N 3.34Å; Y1013-L1015 PolarHBondContact O-N 3.46Å; Y1013-E1029 PolarHBondContact OH-OE2 2.82Å |
| 1014 | N | 89.3 | Confident | 92.9 | Very high | 145 Ų | 145 | 37.3 Ų | 37.3 | 78% | 0.775 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.7 | 177.9 | -162.6 | 36 | 0 | 0 | 0 | 115.4 | A1010 K1011 G1016 | A1010-N1014 CarbonylContact O-C 3.6Å; A1010-N1014 WeakPolarHBondContact O-CA 3.26Å; A1010-N1014 PolarHBondContact O-N 3.08Å; A1010-N1014 VanDerWaalsContact O-N 3.08Å; K1011-N1014 PolarHBondContact O-N 2.85Å; N1014-G1016 VanDerWaalsContact C-N 3.3Å; N1014-G1016 PolarHBondContact O-N 2.89Å |
| 1015 | L | 89.5 | Confident | 92.8 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 19% | 0.188 | 17% | 0.171 | C | C | . | . | trans | -82.4 | -2.1 | -175.5 | -62.8 | 172 | 0 | 0 | 0 | 114 | A563 A1010 Y1013 M1017 D1018 T1021 A1022 | A563-L1015 HydrophobicContact CB-CD2 4.13Å; A1010-L1015 PolarHBondContact O-N 2.69Å; Y1013-L1015 VanDerWaalsContact C-N 3.34Å; Y1013-L1015 PolarHBondContact O-N 3.46Å; L1015-M1017 PolarHBondContact O-N 3.17Å; L1015-D1018 HydrophobicContact CB-CB 4.49Å; L1015-D1018 WeakPolarHBondContact O-CB 3.31Å; L1015-D1018 PolarHBondContact O-N 2.82Å; L1015-T1021 HydrophobicContact CD1-CG2 4.09Å; L1015-T1021 HydrophobicContact CD2-CG2 4.1Å; L1015-A1022 HydrophobicContact CD1-CB 3.82Å | ||
| 1016 | G | 87 | Confident | 92.8 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 40% | 0.402 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -106.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1014 | N1014-G1016 VanDerWaalsContact C-N 3.3Å; N1014-G1016 PolarHBondContact O-N 2.89Å |
| 1017 | M | 88.3 | Confident | 92.8 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -3.5 | 178.4 | -65.3 | -68.4 | -76.4 | 0 | 0 | 113.1 | Y772 K775 I776 L903 L908 L1015 L1019 | Y772-M1017 HydrophobicContact CD1-SD 3.92Å; Y772-M1017 HydrophobicContact CE1-SD 4.31Å; K775-M1017 HydrophobicContact CB-CE 4.45Å; K775-M1017 HydrophobicContact CB-SD 4.13Å; K775-M1017 HydrophobicContact CD-SD 3.59Å; K775-M1017 VanDerWaalsContact CD-SD 3.59Å; I776-M1017 HydrophobicContact CG2-CE 3.59Å; L903-M1017 HydrophobicContact CD2-CB 4.33Å; L908-M1017 HydrophobicContact CB-CE 4.05Å; L908-M1017 HydrophobicContact CD1-CE 3.8Å; L1015-M1017 PolarHBondContact O-N 3.17Å; M1017-L1019 PolarHBondContact O-N 3.04Å |
| 1018 | D | 93.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | trans | -79 | 70.8 | -179.5 | -169.7 | -16.3 | 0 | 0 | 0 | 111.2 | R559 L903 L1015 R1020 T1021 A1022 | R559-D1018 IonicContact CZ-OD2 3.54Å; R559-D1018 IonicContact NE-OD2 2.67Å; R559-D1018 IonicContact NH2-OD2 2.86Å; R559-D1018 PolarHBondContact NH2-OD2 2.75Å; L903-D1018 HydrophobicContact CD1-CB 4.29Å; L903-D1018 HydrophobicContact CD2-CB 4.38Å; L1015-D1018 HydrophobicContact CB-CB 4.49Å; L1015-D1018 WeakPolarHBondContact O-CB 3.31Å; L1015-D1018 PolarHBondContact O-N 2.82Å; D1018-R1020 PolarHBondContact O-N 3.44Å; D1018-T1021 VanDerWaalsContact CG-CB 3.41Å; D1018-T1021 PolarHBondContact O-N 3.35Å; D1018-T1021 WeakPolarHBondContact OD1-CB 3.3Å; D1018-T1021 PolarHBondContact OD1-N 2.66Å; D1018-T1021 PolarHBondContact OD1-OG1 3.01Å; D1018-T1021 WeakPolarHBondContact OD2-CB 3.44Å; D1018-T1021 PolarHBondContact OD2-OG1 3.18Å; D1018-A1022 PolarHBondContact O-N 2.86Å; D1018-A1022 VanDerWaalsContact O-N 3.07Å | ||
| 1019 | L | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -23.4 | 178.2 | -65.2 | 176.5 | 0 | 0 | 0 | 112.6 | F766 Y772 L908 L910 I1006 A1010 M1017 A1023 | F766-L1019 HydrophobicContact CD1-CD1 3.96Å; F766-L1019 HydrophobicContact CE1-CD1 3.39Å; F766-L1019 HydrophobicContact CE1-CD2 4.05Å; F766-L1019 HydrophobicContact CE1-CG 4.38Å; F766-L1019 HydrophobicContact CZ-CD1 3.97Å; Y772-L1019 HydrophobicContact CE1-CD1 4.35Å; Y772-L1019 HydrophobicContact CE1-CD2 4.02Å; Y772-L1019 HydrophobicContact CE1-CG 4.47Å; L908-L1019 HydrophobicContact CD1-CD1 3.54Å; L910-L1019 HydrophobicContact CD2-CD1 3.68Å; I1006-L1019 HydrophobicContact CG2-CD2 4.09Å; A1010-L1019 HydrophobicContact CB-CD2 4.3Å; M1017-L1019 PolarHBondContact O-N 3.04Å; L1019-A1023 WeakPolarHBondContact O-CB 3.42Å; L1019-A1023 PolarHBondContact O-N 3.32Å |
| 1020 | R | 95.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -54.5 | 174.2 | -170 | -171.3 | -57.2 | -73.9 | 1.7 | 110.1 | Y556 E888 D899 P911 D912 D1018 A1022 A1023 Y1024 | Y556-R1020 HydrophobicContact CD1-CG 4.42Å; E888-R1020 IonicContact OE1-CZ 2.85Å; E888-R1020 IonicContact OE1-NH1 2.63Å; E888-R1020 PolarHBondContact OE1-NH1 2.77Å; E888-R1020 IonicContact OE1-NH2 2.76Å; E888-R1020 PolarHBondContact OE1-NH2 2.95Å; E888-R1020 IonicContact OE2-CZ 2.83Å; E888-R1020 IonicContact OE2-NH1 3.61Å; E888-R1020 PolarHBondContact OE2-NH1 2.78Å; E888-R1020 IonicContact OE2-NH2 3.56Å; E888-R1020 PolarHBondContact OE2-NH2 3.46Å; D899-R1020 IonicContact OD1-CZ 3.1Å; D899-R1020 VanDerWaalsContact OD1-CZ 3.23Å; D899-R1020 IonicContact OD1-NE 2.74Å; D899-R1020 PolarHBondContact OD1-NE 2.94Å; D899-R1020 IonicContact OD1-NH2 3.55Å; D899-R1020 PolarHBondContact OD1-NH2 2.94Å; D899-R1020 IonicContact OD2-NE 3.79Å; P911-R1020 HydrophobicContact CB-CB 4.12Å; P911-R1020 HydrophobicContact CB-CG 4.14Å; D912-R1020 IonicContact OD1-NH1 2.7Å; D1018-R1020 PolarHBondContact O-N 3.44Å; R1020-A1022 PolarHBondContact O-N 3.11Å; R1020-A1023 PolarHBondContact O-N 2.65Å; R1020-Y1024 HydrophobicContact CG-CD2 4.07Å; R1020-Y1024 HydrophobicContact CG-CE2 3.98Å; R1020-Y1024 WeakPolarHBondContact O-CD2 3.29Å; R1020-Y1024 PolarHBondContact O-N 2.67Å |
| 1021 | T | 94.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -36.2 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | R559 A563 L1015 D1018 Y1024 A1025 | R559-T1021 HydrophobicContact CB-CG2 4Å; R559-T1021 PolarHBondContact NE-OG1 3.48Å; R559-T1021 VanDerWaalsContact NE-OG1 3.12Å; A563-T1021 HydrophobicContact CB-CG2 4.15Å; L1015-T1021 HydrophobicContact CD1-CG2 4.09Å; L1015-T1021 HydrophobicContact CD2-CG2 4.1Å; D1018-T1021 VanDerWaalsContact CG-CB 3.41Å; D1018-T1021 PolarHBondContact O-N 3.35Å; D1018-T1021 WeakPolarHBondContact OD1-CB 3.3Å; D1018-T1021 PolarHBondContact OD1-N 2.66Å; D1018-T1021 PolarHBondContact OD1-OG1 3.01Å; D1018-T1021 WeakPolarHBondContact OD2-CB 3.44Å; D1018-T1021 PolarHBondContact OD2-OG1 3.18Å; T1021-Y1024 PolarHBondContact O-N 3.43Å; T1021-A1025 WeakPolarHBondContact O-CB 3.33Å; T1021-A1025 PolarHBondContact O-N 2.9Å |
| 1022 | A | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1006 T1009 A1010 L1015 D1018 R1020 N1026 | I1006-A1022 HydrophobicContact CG2-CB 3.98Å; T1009-A1022 HydrophobicContact CG2-CB 4.39Å; T1009-A1022 WeakPolarHBondContact CG2-O 3.27Å; A1010-A1022 HydrophobicContact CB-CB 3.86Å; L1015-A1022 HydrophobicContact CD1-CB 3.82Å; D1018-A1022 PolarHBondContact O-N 2.86Å; D1018-A1022 VanDerWaalsContact O-N 3.07Å; R1020-A1022 PolarHBondContact O-N 3.11Å; A1022-N1026 VanDerWaalsContact O-CB 3.31Å; A1022-N1026 WeakPolarHBondContact O-CB 3.12Å; A1022-N1026 PolarHBondContact O-N 2.9Å |
| 1023 | A | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.1 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V657 P911 L913 I1006 L1019 R1020 N1026 A1027 | V657-A1023 HydrophobicContact CG2-CB 4.23Å; V657-A1023 WeakPolarHBondContact CG2-O 3.04Å; P911-A1023 HydrophobicContact CG-CB 3.95Å; L913-A1023 HydrophobicContact CB-CB 4.4Å; L913-A1023 HydrophobicContact CD1-CB 4.26Å; I1006-A1023 HydrophobicContact CD1-CB 4.27Å; I1006-A1023 HydrophobicContact CG1-CB 4.37Å; L1019-A1023 WeakPolarHBondContact O-CB 3.42Å; L1019-A1023 PolarHBondContact O-N 3.32Å; R1020-A1023 PolarHBondContact O-N 2.65Å; A1023-N1026 PolarHBondContact O-N 3.42Å; A1023-A1027 WeakPolarHBondContact O-CB 3.37Å; A1023-A1027 PolarHBondContact O-N 3.03Å |
| 1024 | Y | 95.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 172.8 | -83.3 | -88.6 | 0 | 0 | 0 | 111.5 | I553 Y556 C557 L650 Y653 L913 R1020 T1021 N1026 A1027 I1028 | I553-Y1024 HydrophobicContact CG2-CE1 4.25Å; Y556-Y1024 VanDerWaalsContact CB-CE2 3.4Å; Y556-Y1024 HydrophobicContact CD2-CE2 4.41Å; Y556-Y1024 HydrophobicContact CG-CE2 4.16Å; C557-Y1024 HydrophobicContact CB-CD1 4.12Å; C557-Y1024 HydrophobicContact CB-CE1 4.25Å; L650-Y1024 WeakPolarHBondContact CD2-OH 3.37Å; Y653-Y1024 HydrophobicContact CD2-CD1 4.19Å; Y653-Y1024 AromaticContact CD2-CE1 3.61Å; Y653-Y1024 HydrophobicContact CD2-CE1 3.61Å; Y653-Y1024 AromaticContact CE2-CE1 4Å; Y653-Y1024 HydrophobicContact CE2-CE1 4Å; Y653-Y1024 HydrophobicContact CG-CD1 4.19Å; Y653-Y1024 HydrophobicContact CG-CE1 4.03Å; L913-Y1024 HydrophobicContact CD1-CD1 4.01Å; L913-Y1024 HydrophobicContact CD1-CD2 3.49Å; L913-Y1024 VanDerWaalsContact CD1-CD2 3.49Å; L913-Y1024 HydrophobicContact CD1-CE1 3.97Å; L913-Y1024 HydrophobicContact CD1-CE2 3.41Å; L913-Y1024 VanDerWaalsContact CD1-CE2 3.41Å; L913-Y1024 HydrophobicContact CD1-CG 3.79Å; L913-Y1024 HydrophobicContact CG-CE2 4Å; R1020-Y1024 HydrophobicContact CG-CD2 4.07Å; R1020-Y1024 HydrophobicContact CG-CE2 3.98Å; R1020-Y1024 WeakPolarHBondContact O-CD2 3.29Å; R1020-Y1024 PolarHBondContact O-N 2.67Å; T1021-Y1024 PolarHBondContact O-N 3.43Å; Y1024-N1026 PolarHBondContact O-N 3.29Å; Y1024-A1027 PolarHBondContact O-N 2.97Å; Y1024-I1028 WeakPolarHBondContact O-CB 2.89Å; Y1024-I1028 WeakPolarHBondContact O-CD1 3.41Å; Y1024-I1028 WeakPolarHBondContact O-CG1 3.41Å; Y1024-I1028 PolarHBondContact O-N 3.43Å |
| 1025 | A | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.5 | -49.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | I564 T1009 T1021 A1027 I1028 E1029 | I564-A1025 HydrophobicContact CG2-CB 3.51Å; T1009-A1025 HydrophobicContact CG2-CB 3.82Å; T1021-A1025 WeakPolarHBondContact O-CB 3.33Å; T1021-A1025 PolarHBondContact O-N 2.9Å; A1025-A1027 PolarHBondContact O-N 3.35Å; A1025-I1028 PolarHBondContact O-N 3.49Å; A1025-E1029 VanDerWaalsContact O-CB 3.3Å; A1025-E1029 WeakPolarHBondContact O-CB 3.39Å; A1025-E1029 PolarHBondContact O-N 3.47Å |
| 1026 | N | 94.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 16.1 Ų | 16.1 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 177.8 | -170.3 | -78 | 0 | 0 | 0 | 112.2 | S1005 T1009 A1022 A1023 Y1024 K1030 | S1005-N1026 PolarHBondContact OG-ND2 2.82Å; T1009-N1026 HydrophobicContact CG2-CB 4.22Å; T1009-N1026 PolarHBondContact OG1-ND2 2.94Å; A1022-N1026 VanDerWaalsContact O-CB 3.31Å; A1022-N1026 WeakPolarHBondContact O-CB 3.12Å; A1022-N1026 PolarHBondContact O-N 2.9Å; A1023-N1026 PolarHBondContact O-N 3.42Å; Y1024-N1026 PolarHBondContact O-N 3.29Å; N1026-K1030 WeakPolarHBondContact O-CG 3.45Å; N1026-K1030 PolarHBondContact O-N 2.77Å; N1026-K1030 WeakPolarHBondContact OD1-CE 3.32Å; N1026-K1030 PolarHBondContact OD1-NZ 3.37Å |
| 1027 | A | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -49.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y653 A656 V657 A1023 Y1024 A1025 E1029 K1030 I1031 | Y653-A1027 HydrophobicContact CD1-CB 4.33Å; Y653-A1027 WeakPolarHBondContact O-CB 3.35Å; A656-A1027 HydrophobicContact CB-CB 3.92Å; V657-A1027 HydrophobicContact CG2-CB 4.13Å; A1023-A1027 WeakPolarHBondContact O-CB 3.37Å; A1023-A1027 PolarHBondContact O-N 3.03Å; Y1024-A1027 PolarHBondContact O-N 2.97Å; A1025-A1027 PolarHBondContact O-N 3.35Å; A1027-E1029 PolarHBondContact O-N 3.11Å; A1027-K1030 PolarHBondContact O-N 3.3Å; A1027-I1031 WeakPolarHBondContact O-CD1 3.19Å; A1027-I1031 VanDerWaalsContact O-CG1 3.22Å; A1027-I1031 WeakPolarHBondContact O-CG1 3.44Å; A1027-I1031 PolarHBondContact O-N 2.89Å; A1027-I1031 VanDerWaalsContact O-N 3.07Å |
| 1028 | I | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | -177.4 | -62.4 | 161.1 | 0 | 0 | 0 | 110.3 | C557 I564 L589 I592 Y653 Y1024 A1025 K1030 I1031 V1032 | C557-I1028 WeakPolarHBondContact O-CD1 3.45Å; I564-I1028 HydrophobicContact CD1-CB 3.91Å; I564-I1028 HydrophobicContact CD1-CG2 3.81Å; L589-I1028 HydrophobicContact CD2-CG2 3.36Å; I592-I1028 HydrophobicContact CD1-CG2 4.45Å; Y653-I1028 HydrophobicContact CE1-CG1 4.46Å; Y1024-I1028 WeakPolarHBondContact O-CB 2.89Å; Y1024-I1028 WeakPolarHBondContact O-CD1 3.41Å; Y1024-I1028 WeakPolarHBondContact O-CG1 3.41Å; Y1024-I1028 PolarHBondContact O-N 3.43Å; A1025-I1028 PolarHBondContact O-N 3.49Å; I1028-K1030 VanDerWaalsContact C-N 3.32Å; I1028-K1030 PolarHBondContact O-N 3.5Å; I1028-I1031 PolarHBondContact O-N 3.49Å; I1028-V1032 HydrophobicContact CG2-CG2 3.88Å; I1028-V1032 WeakPolarHBondContact O-CB 3.37Å; I1028-V1032 VanDerWaalsContact O-CG2 3.24Å; I1028-V1032 WeakPolarHBondContact O-CG2 3.31Å; I1028-V1032 PolarHBondContact O-N 2.96Å |
| 1029 | E | 92.6 | Very high | 91.7 | Very high | 53 Ų | 53 | 23.3 Ų | 23.3 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.5 | -44.8 | 175.9 | -172.7 | 173.4 | 173.3 | 0 | 0 | 111.7 | I564 L568 K1012 Y1013 A1025 A1027 G1033 | I564-E1029 HydrophobicContact CD1-CB 4.36Å; L568-E1029 HydrophobicContact CD2-CG 4.31Å; K1012-E1029 IonicContact NZ-OE1 2.76Å; K1012-E1029 PolarHBondContact NZ-OE1 2.9Å; K1012-E1029 IonicContact NZ-OE2 2.74Å; Y1013-E1029 PolarHBondContact OH-OE2 2.82Å; A1025-E1029 VanDerWaalsContact O-CB 3.3Å; A1025-E1029 WeakPolarHBondContact O-CB 3.39Å; A1025-E1029 PolarHBondContact O-N 3.47Å; A1027-E1029 PolarHBondContact O-N 3.11Å; E1029-G1033 PolarHBondContact O-N 2.96Å |
| 1030 | K | 92.6 | Very high | 90.9 | Very high | 60 Ų | 60 | 24.4 Ų | 24.4 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69 | -39.3 | 176.6 | -66.8 | 171.6 | -172.5 | -179.9 | 0 | 113.7 | A656 V657 D659 N1026 A1027 I1028 S1034 | A656-K1030 WeakPolarHBondContact O-CD 3.43Å; A656-K1030 PolarHBondContact O-NZ 3.06Å; V657-K1030 PolarHBondContact O-NZ 3.22Å; D659-K1030 WeakPolarHBondContact OD1-CE 3.43Å; D659-K1030 IonicContact OD1-NZ 3.41Å; D659-K1030 PolarHBondContact OD1-NZ 3.33Å; N1026-K1030 WeakPolarHBondContact O-CG 3.45Å; N1026-K1030 PolarHBondContact O-N 2.77Å; N1026-K1030 WeakPolarHBondContact OD1-CE 3.32Å; N1026-K1030 PolarHBondContact OD1-NZ 3.37Å; A1027-K1030 PolarHBondContact O-N 3.3Å; I1028-K1030 VanDerWaalsContact C-N 3.32Å; I1028-K1030 PolarHBondContact O-N 3.5Å; K1030-S1034 PolarHBondContact O-N 3.17Å; K1030-S1034 VanDerWaalsContact O-N 3.14Å; K1030-S1034 PolarHBondContact O-OG 3.09Å; K1030-S1034 VanDerWaalsContact O-OG 3.09Å |
| 1031 | I | 93.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.9 | -45.4 | -179.8 | -62 | 160.7 | 0 | 0 | 0 | 110 | I592 T652 Y653 A656 A1027 I1028 G1033 S1034 Y1035 | I592-I1031 HydrophobicContact CD1-CB 4.1Å; I592-I1031 HydrophobicContact CD1-CG2 3.6Å; I592-I1031 HydrophobicContact CG1-CG2 3.7Å; T652-I1031 HydrophobicContact CG2-CD1 3.86Å; Y653-I1031 HydrophobicContact CD1-CD1 4.09Å; Y653-I1031 HydrophobicContact CE1-CD1 4.46Å; A656-I1031 HydrophobicContact CB-CD1 4.05Å; A656-I1031 HydrophobicContact CB-CG1 4.03Å; A1027-I1031 WeakPolarHBondContact O-CD1 3.19Å; A1027-I1031 VanDerWaalsContact O-CG1 3.22Å; A1027-I1031 WeakPolarHBondContact O-CG1 3.44Å; A1027-I1031 PolarHBondContact O-N 2.89Å; A1027-I1031 VanDerWaalsContact O-N 3.07Å; I1028-I1031 PolarHBondContact O-N 3.49Å; I1031-G1033 VanDerWaalsContact C-N 3.35Å; I1031-G1033 PolarHBondContact O-N 3.47Å; I1031-S1034 WeakPolarHBondContact O-CB 3.47Å; I1031-S1034 PolarHBondContact O-N 2.96Å; I1031-S1034 VanDerWaalsContact O-N 3.13Å; I1031-Y1035 HydrophobicContact CG2-CD2 3.87Å; I1031-Y1035 HydrophobicContact CG2-CE2 3.59Å; I1031-Y1035 VanDerWaalsContact O-CD2 3.3Å; I1031-Y1035 WeakPolarHBondContact O-CD2 3.25Å; I1031-Y1035 PolarHBondContact O-N 3.42Å; I1031-Y1035 VanDerWaalsContact O-N 3.1Å |
| 1032 | V | 91.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58 | -46.3 | 173.5 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L568 I588 L589 I592 I1028 S1034 Y1035 I1036 | L568-V1032 HydrophobicContact CD1-CB 4.48Å; L568-V1032 HydrophobicContact CD1-CG1 4.23Å; L568-V1032 HydrophobicContact CD1-CG2 4.2Å; I588-V1032 HydrophobicContact CG2-CB 4.33Å; I588-V1032 HydrophobicContact CG2-CG1 4.3Å; I588-V1032 HydrophobicContact CG2-CG2 3.94Å; L589-V1032 HydrophobicContact CD2-CG2 3.69Å; L589-V1032 HydrophobicContact CG-CG2 4.38Å; I592-V1032 HydrophobicContact CD1-CG2 3.59Å; I1028-V1032 HydrophobicContact CG2-CG2 3.88Å; I1028-V1032 WeakPolarHBondContact O-CB 3.37Å; I1028-V1032 VanDerWaalsContact O-CG2 3.24Å; I1028-V1032 WeakPolarHBondContact O-CG2 3.31Å; I1028-V1032 PolarHBondContact O-N 2.96Å; V1032-S1034 VanDerWaalsContact C-N 3.25Å; V1032-S1034 PolarHBondContact O-N 3.23Å; V1032-Y1035 PolarHBondContact O-N 3.22Å; V1032-Y1035 VanDerWaalsContact O-N 3.1Å; V1032-I1036 HydrophobicContact CG1-CD1 3.67Å; V1032-I1036 HydrophobicContact CG1-CG1 4.16Å; V1032-I1036 WeakPolarHBondContact O-CG1 3.28Å; V1032-I1036 PolarHBondContact O-N 3.42Å |
| 1033 | G | 89.5 | Confident | 86.1 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.9 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1029 I1031 A1037 | E1029-G1033 PolarHBondContact O-N 2.96Å; I1031-G1033 VanDerWaalsContact C-N 3.35Å; I1031-G1033 PolarHBondContact O-N 3.47Å; G1033-A1037 WeakPolarHBondContact O-CB 3.48Å; G1033-A1037 PolarHBondContact O-N 3.49Å; G1033-A1037 VanDerWaalsContact O-N 3.13Å |
| 1034 | S | 90.2 | Very high | 85.6 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 174.6 | -61 | 0 | 0 | 0 | 0 | 112.3 | K626 K1030 I1031 V1032 A1037 A1038 | K626-S1034 PolarHBondContact NZ-OG 3.41Å; K1030-S1034 PolarHBondContact O-N 3.17Å; K1030-S1034 VanDerWaalsContact O-N 3.14Å; K1030-S1034 PolarHBondContact O-OG 3.09Å; K1030-S1034 VanDerWaalsContact O-OG 3.09Å; I1031-S1034 WeakPolarHBondContact O-CB 3.47Å; I1031-S1034 PolarHBondContact O-N 2.96Å; I1031-S1034 VanDerWaalsContact O-N 3.13Å; V1032-S1034 VanDerWaalsContact C-N 3.25Å; V1032-S1034 PolarHBondContact O-N 3.23Å; S1034-A1037 PolarHBondContact O-N 3.46Å; S1034-A1038 VanDerWaalsContact O-CB 3.28Å; S1034-A1038 WeakPolarHBondContact O-CB 3.41Å; S1034-A1038 PolarHBondContact O-N 3.19Å |
| 1035 | Y | 89.4 | Confident | 85.1 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.5 | -35.7 | 178 | -78.8 | -65.5 | 0 | 0 | 0 | 113.8 | I588 Y591 I592 S623 H625 I1031 V1032 G1039 F1040 | I588-Y1035 HydrophobicContact CG2-CD2 3.96Å; I588-Y1035 HydrophobicContact CG2-CG 4.18Å; Y591-Y1035 AromaticContact CD1-CE1 3.94Å; Y591-Y1035 HydrophobicContact CD1-CE1 3.94Å; Y591-Y1035 AromaticContact CD1-CZ 3.82Å; Y591-Y1035 AromaticContact CE1-CE1 3.75Å; Y591-Y1035 HydrophobicContact CE1-CE1 3.75Å; Y591-Y1035 AromaticContact CE1-CZ 3.83Å; Y591-Y1035 WeakPolarHBondContact CE1-OH 3.4Å; I592-Y1035 HydrophobicContact CD1-CD2 4.28Å; I592-Y1035 HydrophobicContact CD1-CE2 4.4Å; I592-Y1035 HydrophobicContact CG1-CD2 4.3Å; I592-Y1035 HydrophobicContact CG1-CE2 3.95Å; S623-Y1035 PolarHBondContact OG-OH 3.45Å; H625-Y1035 HydrophobicContact CB-CE1 4.32Å; H625-Y1035 HydrophobicContact CB-CE2 3.9Å; I1031-Y1035 HydrophobicContact CG2-CD2 3.87Å; I1031-Y1035 HydrophobicContact CG2-CE2 3.59Å; I1031-Y1035 VanDerWaalsContact O-CD2 3.3Å; I1031-Y1035 WeakPolarHBondContact O-CD2 3.25Å; I1031-Y1035 PolarHBondContact O-N 3.42Å; I1031-Y1035 VanDerWaalsContact O-N 3.1Å; V1032-Y1035 PolarHBondContact O-N 3.22Å; V1032-Y1035 VanDerWaalsContact O-N 3.1Å; Y1035-G1039 CarbonylContact O-C 3.51Å; Y1035-G1039 PolarHBondContact O-N 3.15Å; Y1035-F1040 AromaticContact CD1-CD2 3.74Å; Y1035-F1040 HydrophobicContact CD1-CD2 3.74Å; Y1035-F1040 HydrophobicContact CD1-CE2 4.17Å; Y1035-F1040 HydrophobicContact CE1-CD2 4.42Å; Y1035-F1040 AromaticContact CG-CD2 3.99Å; Y1035-F1040 HydrophobicContact CG-CD2 3.99Å; Y1035-F1040 HydrophobicContact CG-CE2 4.32Å |
| 1036 | I | 86.2 | Confident | 84.6 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 174.2 | -68 | 174.7 | 0 | 0 | 0 | 110 | I588 V1032 | I588-I1036 HydrophobicContact CD1-CG1 3.87Å; V1032-I1036 HydrophobicContact CG1-CD1 3.67Å; V1032-I1036 HydrophobicContact CG1-CG1 4.16Å; V1032-I1036 WeakPolarHBondContact O-CG1 3.28Å; V1032-I1036 PolarHBondContact O-N 3.42Å |
| 1037 | A | 86.6 | Confident | 84 | Confident | 91 Ų | 91 | 46.6 Ų | 46.6 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72 | -33.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1033 S1034 | G1033-A1037 WeakPolarHBondContact O-CB 3.48Å; G1033-A1037 PolarHBondContact O-N 3.49Å; G1033-A1037 VanDerWaalsContact O-N 3.13Å; S1034-A1037 PolarHBondContact O-N 3.46Å |
| 1038 | A | 85.6 | Confident | 83.3 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 72% | 0.719 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -84.3 | -17.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1034 | S1034-A1038 VanDerWaalsContact O-CB 3.28Å; S1034-A1038 WeakPolarHBondContact O-CB 3.41Å; S1034-A1038 PolarHBondContact O-N 3.19Å |
| 1039 | G | 79.2 | Confident | 82.6 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | trans | 82.6 | 126.3 | -162.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y1035 | Y1035-G1039 CarbonylContact O-C 3.51Å; Y1035-G1039 PolarHBondContact O-N 3.15Å | ||
| 1040 | F | 77.8 | Confident | 81.9 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -79.3 | -41.5 | -167.4 | -177.9 | -116.9 | 0 | 0 | 0 | 114.1 | P85 L93 I588 Y591 Y1035 | P85-F1040 HydrophobicContact CB-CD1 4.1Å; P85-F1040 HydrophobicContact CB-CE1 3.33Å; P85-F1040 HydrophobicContact CB-CZ 3.69Å; P85-F1040 HydrophobicContact CG-CD1 4.3Å; P85-F1040 HydrophobicContact CG-CE1 3.82Å; P85-F1040 HydrophobicContact CG-CE2 4.43Å; P85-F1040 HydrophobicContact CG-CZ 3.91Å; L93-F1040 HydrophobicContact CB-CE1 4.4Å; L93-F1040 HydrophobicContact CD1-CD1 3.59Å; L93-F1040 HydrophobicContact CD1-CE1 3.58Å; L93-F1040 HydrophobicContact CD2-CD1 3.66Å; L93-F1040 HydrophobicContact CD2-CE1 3.85Å; L93-F1040 HydrophobicContact CG-CD1 4.24Å; L93-F1040 HydrophobicContact CG-CE1 4.16Å; I588-F1040 HydrophobicContact CB-CD2 4.34Å; I588-F1040 HydrophobicContact CB-CE2 3.94Å; I588-F1040 HydrophobicContact CB-CZ 4.38Å; I588-F1040 HydrophobicContact CG1-CB 4.46Å; I588-F1040 HydrophobicContact CG1-CD1 4.31Å; I588-F1040 HydrophobicContact CG1-CD2 3.5Å; I588-F1040 HydrophobicContact CG1-CE1 4.43Å; I588-F1040 HydrophobicContact CG1-CE2 3.57Å; I588-F1040 HydrophobicContact CG1-CG 3.86Å; I588-F1040 HydrophobicContact CG1-CZ 4.07Å; I588-F1040 HydrophobicContact CG2-CE2 4.16Å; Y591-F1040 HydrophobicContact CD1-CD2 4.48Å; Y591-F1040 AromaticContact CD1-CE2 3.53Å; Y591-F1040 HydrophobicContact CD1-CE2 3.53Å; Y591-F1040 AromaticContact CD1-CZ 3.82Å; Y591-F1040 HydrophobicContact CD1-CZ 3.82Å; Y591-F1040 HydrophobicContact CE1-CE2 4.43Å; Y591-F1040 HydrophobicContact CG-CE2 4.23Å; Y591-F1040 HydrophobicContact CG-CZ 4.15Å; Y1035-F1040 AromaticContact CD1-CD2 3.74Å; Y1035-F1040 HydrophobicContact CD1-CD2 3.74Å; Y1035-F1040 HydrophobicContact CD1-CE2 4.17Å; Y1035-F1040 HydrophobicContact CE1-CD2 4.42Å; Y1035-F1040 AromaticContact CG-CD2 3.99Å; Y1035-F1040 HydrophobicContact CG-CD2 3.99Å; Y1035-F1040 HydrophobicContact CG-CE2 4.32Å |
| 1041 | T | 68.3 | Low | 81.1 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | trans | -110.8 | 139.9 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | P85 T87 L93 T1043 | P85-T1041 HydrophobicContact CB-CG2 4.05Å; P85-T1041 HydrophobicContact CG-CG2 4.2Å; T87-T1041 WeakPolarHBondContact OG1-CG2 3.24Å; T87-T1041 PolarHBondContact OG1-OG1 3.15Å; L93-T1041 HydrophobicContact CD2-CG2 4.06Å; T1041-T1043 WeakPolarHBondContact CB-OG1 3.44Å; T1041-T1043 PolarHBondContact O-N 2.97Å; T1041-T1043 PolarHBondContact OG1-OG1 3.04Å | ||
| 1042 | F | 67.4 | Low | 80.1 | Confident | 150 Ų | 150 | 56.3 Ų | 56.3 | 66% | 0.658 | 38% | 0.376 | S | S | * | . | trans | -90.7 | 86 | 167.5 | -173.9 | -93.9 | 0 | 0 | 0 | 107.9 | I171 | I171-F1042 HydrophobicContact CD1-CD1 4.45Å; I171-F1042 HydrophobicContact CD1-CE1 3.95Å | ||
| 1043 | T | 49.7 | Very low | 79.1 | Confident | 111 Ų | 111 | 61.4 Ų | 61.4 | 68% | 0.681 | 41% | 0.41 | S | S | * | . | trans | -148.2 | 0 | -169.9 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | T1041 | T1041-T1043 WeakPolarHBondContact CB-OG1 3.44Å; T1041-T1043 PolarHBondContact O-N 2.97Å; T1041-T1043 PolarHBondContact OG1-OG1 3.04Å |
Retrieved 1,043 of 1,043 residues in 398.4 ms
(Link to these results)