| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.6 | Very low | 79.7 | Confident | 215 Ų | 215 | 84.7 Ų | 84.7 | 100% | 1.059 | 46% | 0.457 | S | S | * | . | 0 | 120 | 0 | -79 | -170.8 | -169.8 | 0 | 0 | 106.5 | |||||
| 2 | E | 59.4 | Low | 80.6 | Confident | 141 Ų | 141 | 79.2 Ų | 79.2 | 66% | 0.659 | 43% | 0.427 | S | S | * | . | trans | -62.4 | 134.3 | -170.3 | -68.3 | 148.6 | -172.3 | 0 | 0 | 110.9 | E4 I5 | E2-E4 WeakPolarHBondContact CB-O 3.1Å; E2-I5 HydrophobicContact CB-CG1 4.39Å | ||
| 3 | T | 79.5 | Confident | 81.4 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -80.3 | -12.9 | 170.1 | 42.3 | 0 | 0 | 0 | 0 | 111.4 | I24 T25 V26 | T3-I24 CarbonylContact O-C 3.6Å; T3-I24 WeakPolarHBondContact O-CA 3.08Å; T3-I24 WeakPolarHBondContact O-CG1 3.42Å; T3-T25 PolarHBondContact O-N 3.01Å; T3-T25 PolarHBondContact O-OG1 3.23Å; T3-T25 VanDerWaalsContact O-OG1 3.08Å; T3-V26 PolarHBondContact O-N 3.33Å |
| 4 | E | 84.1 | Confident | 81.9 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 126.1 | -171.3 | -56.9 | 179.3 | -179.5 | 0 | 0 | 107.8 | E2 V26 | E2-E4 WeakPolarHBondContact CB-O 3.1Å; E4-V26 WeakPolarHBondContact CA-O 3.42Å; E4-V26 HydrophobicContact CB-CB 4.17Å; E4-V26 HydrophobicContact CG-CB 3.94Å; E4-V26 HydrophobicContact CG-CG2 3.98Å |
| 5 | I | 85.8 | Confident | 82.4 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125 | 178.8 | -61.6 | -177.4 | 0 | 0 | 0 | 108.8 | E2 L7 L20 I24 V26 L27 N28 | E2-I5 HydrophobicContact CB-CG1 4.39Å; I5-L7 HydrophobicContact CG2-CD1 3.89Å; I5-L7 HydrophobicContact CG2-CG 3.9Å; I5-L20 HydrophobicContact CD1-CD2 3.81Å; I5-I24 HydrophobicContact CB-CD1 3.84Å; I5-I24 HydrophobicContact CD1-CD1 3.76Å; I5-I24 HydrophobicContact CG1-CD1 3.7Å; I5-V26 PolarHBondContact N-O 3.02Å; I5-L27 HydrophobicContact CB-CD1 4.05Å; I5-L27 HydrophobicContact CG2-CD1 4.15Å; I5-L27 WeakPolarHBondContact O-CA 3.19Å; I5-N28 PolarHBondContact O-N 3.42Å |
| 6 | E | 84.1 | Confident | 82.7 | Confident | 63 Ų | 63 | 75.1 Ų | 75.1 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 114 | 176 | -65 | -178.7 | -163 | 0 | 0 | 109.3 | N28 F202 M205 | E6-N28 HydrophobicContact CG-CB 4.13Å; E6-F202 VanDerWaalsContact CD-CZ 3.49Å; E6-F202 HydrophobicContact CG-CE1 3.93Å; E6-F202 HydrophobicContact CG-CE2 4.15Å; E6-F202 HydrophobicContact CG-CZ 3.38Å; E6-F202 WeakPolarHBondContact OE1-CE1 3.24Å; E6-F202 WeakPolarHBondContact OE1-CE2 3.25Å; E6-F202 WeakPolarHBondContact OE1-CZ 3.22Å; E6-M205 VanDerWaalsContact OE2-CB 3.23Å; E6-M205 WeakPolarHBondContact OE2-CB 3.39Å; E6-M205 WeakPolarHBondContact OE2-CG 3.36Å; E6-M205 VanDerWaalsContact OE2-SD 3.4Å |
| 7 | L | 87.1 | Confident | 83 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 28% | 0.283 | 41% | 0.411 | S | S | . | . | trans | -131.5 | 67.8 | 177.1 | -61.6 | 169.1 | 0 | 0 | 0 | 108.7 | I5 I12 L18 N28 L29 N32 | I5-L7 HydrophobicContact CG2-CD1 3.89Å; I5-L7 HydrophobicContact CG2-CG 3.9Å; L7-I12 HydrophobicContact CB-CD1 3.45Å; L7-I12 VanDerWaalsContact CB-CD1 3.45Å; L7-I12 HydrophobicContact CD1-CD1 3.61Å; L7-I12 HydrophobicContact CG-CD1 4.14Å; L7-L18 HydrophobicContact CD1-CD1 4.15Å; L7-L18 HydrophobicContact CD1-CD2 3.64Å; L7-N28 PolarHBondContact N-O 3.5Å; L7-L29 HydrophobicContact CB-CD2 3.87Å; L7-L29 HydrophobicContact CD1-CD2 4.32Å; L7-N32 PolarHBondContact O-ND2 3.33Å | ||
| 8 | I | 87.5 | Confident | 83.1 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 26% | 0.262 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 135.6 | 178.4 | -55.4 | 175.1 | 0 | 0 | 0 | 108.7 | S10 H30 M205 | I8-S10 PolarHBondContact O-N 3.24Å; I8-S10 VanDerWaalsContact O-N 3.12Å; I8-S10 PolarHBondContact O-OG 3.24Å; I8-H30 WeakPolarHBondContact CA-O 3.28Å; I8-H30 HydrophobicContact CG1-CB 4.4Å; I8-H30 HydrophobicContact CG2-CB 4.27Å; I8-M205 WeakPolarHBondContact CD1-O 3.29Å |
| 9 | N | 88.3 | Confident | 83.1 | Confident | 109 Ų | 109 | 82.5 Ų | 82.5 | 58% | 0.583 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 42.6 | 176.5 | -165 | 18.4 | 0 | 0 | 0 | 114.4 | H30 H31 | N9-H30 PolarHBondContact N-O 2.91Å; N9-H31 WeakPolarHBondContact CA-O 3.19Å; N9-H31 HydrophobicContact CB-CB 4.44Å; N9-H31 PolarHBondContact N-O 2.69Å |
| 10 | S | 87.5 | Confident | 83.3 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 44% | 0.441 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -101 | 10.9 | -176 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | I8 I12 N32 | I8-S10 PolarHBondContact O-N 3.24Å; I8-S10 VanDerWaalsContact O-N 3.12Å; I8-S10 PolarHBondContact O-OG 3.24Å; S10-I12 PolarHBondContact O-N 3.45Å; S10-N32 PolarHBondContact N-OD1 3.33Å |
| 11 | G | 86.3 | Confident | 83.4 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | trans | 65 | 23.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D13 N32 | G11-D13 PolarHBondContact O-N 2.8Å; G11-N32 PolarHBondContact N-OD1 2.83Å; G11-N32 VanDerWaalsContact N-OD1 3.13Å | ||
| 12 | I | 89.5 | Confident | 85.2 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | trans | -73.5 | 123.4 | -176.2 | -62.4 | 162.8 | 0 | 0 | 0 | 109.6 | L7 S10 L18 L29 N32 H33 I34 | L7-I12 HydrophobicContact CB-CD1 3.45Å; L7-I12 VanDerWaalsContact CB-CD1 3.45Å; L7-I12 HydrophobicContact CD1-CD1 3.61Å; L7-I12 HydrophobicContact CG-CD1 4.14Å; S10-I12 PolarHBondContact O-N 3.45Å; I12-L18 HydrophobicContact CD1-CD1 4.24Å; I12-L18 HydrophobicContact CD1-CD2 3.95Å; I12-L18 HydrophobicContact CG1-CD2 4.37Å; I12-L18 HydrophobicContact CG2-CD1 4.44Å; I12-L18 HydrophobicContact CG2-CD2 4.5Å; I12-L29 HydrophobicContact CD1-CD2 3.8Å; I12-N32 HydrophobicContact CB-CB 4.19Å; I12-N32 PolarHBondContact N-OD1 2.82Å; I12-N32 WeakPolarHBondContact O-CB 3.48Å; I12-H33 CarbonylContact O-C 3.38Å; I12-H33 WeakPolarHBondContact O-CA 3.35Å; I12-H33 PolarHBondContact O-N 3.09Å; I12-I34 HydrophobicContact CG2-CD1 4.38Å; I12-I34 HydrophobicContact CG2-CG1 4.26Å; I12-I34 WeakPolarHBondContact O-CG1 3.45Å; I12-I34 PolarHBondContact O-N 2.78Å | ||
| 13 | D | 91.2 | Very high | 86.5 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | trans | -99 | -23.3 | 177.7 | 60.9 | -8.1 | 0 | 0 | 0 | 113 | G11 R17 H33 | G11-D13 PolarHBondContact O-N 2.8Å; D13-R17 IonicContact OD1-CZ 2.89Å; D13-R17 IonicContact OD1-NH1 2.69Å; D13-R17 PolarHBondContact OD1-NH1 2.99Å; D13-R17 IonicContact OD2-CZ 3.67Å; D13-R17 IonicContact OD2-NH1 3.94Å; D13-R17 PolarHBondContact OD2-NH1 3.09Å; D13-R17 IonicContact OD2-NH2 3.49Å; D13-H33 HydrophobicContact CB-CB 4.43Å | ||
| 14 | N | 88.2 | Confident | 86.9 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | trans | -149 | 116.6 | -172.8 | -166.4 | -32.6 | 0 | 0 | 0 | 113 | K16 R17 | N14-K16 VanDerWaalsContact C-N 3.25Å; N14-K16 PolarHBondContact O-N 3.22Å; N14-K16 WeakPolarHBondContact OD1-CB 3.39Å; N14-K16 PolarHBondContact OD1-N 3.25Å; N14-R17 HydrophobicContact CB-CG 4.43Å; N14-R17 WeakPolarHBondContact O-CB 3.03Å; N14-R17 PolarHBondContact O-N 3.5Å; N14-R17 VanDerWaalsContact O-N 3.14Å | ||
| 15 | I | 90.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -62.5 | -28.4 | -177.2 | -53.2 | 167.2 | 0 | 0 | 0 | 112.3 | R17 L18 L20 L29 I34 I37 N38 L40 L51 | I15-R17 PolarHBondContact O-N 3.23Å; I15-R17 VanDerWaalsContact O-N 3.14Å; I15-L18 HydrophobicContact CG2-CD1 4.42Å; I15-L18 WeakPolarHBondContact O-CB 3.43Å; I15-L18 PolarHBondContact O-N 3.11Å; I15-L18 VanDerWaalsContact O-N 3.11Å; I15-L20 HydrophobicContact CG2-CD1 3.69Å; I15-L29 HydrophobicContact CD1-CD1 4.22Å; I15-L29 HydrophobicContact CG1-CD1 3.78Å; I15-L29 HydrophobicContact CG2-CD1 4.24Å; I15-I34 HydrophobicContact CD1-CD1 4.26Å; I15-I34 HydrophobicContact CD1-CG2 4.06Å; I15-I34 HydrophobicContact CG1-CD1 3.77Å; I15-I34 HydrophobicContact CG1-CG1 4.31Å; I15-I34 HydrophobicContact CG1-CG2 4.05Å; I15-I37 HydrophobicContact CD1-CG2 4.45Å; I15-N38 CarbonylContact C-O 3.38Å; I15-N38 VanDerWaalsContact CB-O 3.28Å; I15-N38 WeakPolarHBondContact CB-O 3.29Å; I15-L40 HydrophobicContact CG2-CD2 3.79Å; I15-L40 HydrophobicContact CG2-CG 4.31Å; I15-L51 HydrophobicContact CD1-CD1 4.49Å; I15-L51 HydrophobicContact CD1-CD2 3.78Å |
| 16 | K | 87.4 | Confident | 87.4 | Confident | 124 Ų | 124 | 62.6 Ų | 62.6 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -57.8 | -29.5 | 176.9 | -80.3 | 178.4 | 175.6 | 165.7 | 0 | 113.1 | N14 L18 N38 G39 | N14-K16 VanDerWaalsContact C-N 3.25Å; N14-K16 PolarHBondContact O-N 3.22Å; N14-K16 WeakPolarHBondContact OD1-CB 3.39Å; N14-K16 PolarHBondContact OD1-N 3.25Å; K16-L18 PolarHBondContact O-N 2.59Å; K16-N38 HydrophobicContact CD-CB 4.37Å; K16-N38 HydrophobicContact CG-CB 4.35Å; K16-N38 PolarHBondContact N-O 3.3Å; K16-G39 VanDerWaalsContact CG-CA 3.48Å |
| 17 | R | 86.6 | Confident | 87.8 | Confident | 172 Ų | 172 | 59.6 Ų | 59.6 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -70.1 | -21 | -178.3 | -68.6 | -179 | 174.1 | 162.2 | -1.1 | 113 | D13 N14 I15 N19 | D13-R17 IonicContact OD1-CZ 2.89Å; D13-R17 IonicContact OD1-NH1 2.69Å; D13-R17 PolarHBondContact OD1-NH1 2.99Å; D13-R17 IonicContact OD2-CZ 3.67Å; D13-R17 IonicContact OD2-NH1 3.94Å; D13-R17 PolarHBondContact OD2-NH1 3.09Å; D13-R17 IonicContact OD2-NH2 3.49Å; N14-R17 HydrophobicContact CB-CG 4.43Å; N14-R17 WeakPolarHBondContact O-CB 3.03Å; N14-R17 PolarHBondContact O-N 3.5Å; N14-R17 VanDerWaalsContact O-N 3.14Å; I15-R17 PolarHBondContact O-N 3.23Å; I15-R17 VanDerWaalsContact O-N 3.14Å; R17-N19 PolarHBondContact O-N 2.72Å |
| 18 | L | 85.8 | Confident | 88 | Confident | 47 Ų | 47 | 57 Ų | 57 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -74.4 | -11.8 | -177.3 | -59.6 | 179.2 | 0 | 0 | 0 | 113.7 | L7 I12 I15 K16 L20 L29 | L7-L18 HydrophobicContact CD1-CD1 4.15Å; L7-L18 HydrophobicContact CD1-CD2 3.64Å; I12-L18 HydrophobicContact CD1-CD1 4.24Å; I12-L18 HydrophobicContact CD1-CD2 3.95Å; I12-L18 HydrophobicContact CG1-CD2 4.37Å; I12-L18 HydrophobicContact CG2-CD1 4.44Å; I12-L18 HydrophobicContact CG2-CD2 4.5Å; I15-L18 HydrophobicContact CG2-CD1 4.42Å; I15-L18 WeakPolarHBondContact O-CB 3.43Å; I15-L18 PolarHBondContact O-N 3.11Å; I15-L18 VanDerWaalsContact O-N 3.11Å; K16-L18 PolarHBondContact O-N 2.59Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 HydrophobicContact CB-CD2 3.76Å; L18-L20 HydrophobicContact CB-CG 3.93Å; L18-L20 HydrophobicContact CD1-CD2 4.21Å; L18-L20 PolarHBondContact O-N 2.9Å; L18-L29 HydrophobicContact CD1-CD1 3.94Å; L18-L29 HydrophobicContact CD1-CD2 3.72Å |
| 19 | N | 82.7 | Confident | 88.3 | Confident | 146 Ų | 146 | 54.6 Ų | 54.6 | 78% | 0.781 | 29% | 0.287 | S | S | * | . | trans | 45.3 | 50 | -179.2 | -77.9 | -31.2 | 0 | 0 | 0 | 113 | R17 | R17-N19 PolarHBondContact O-N 2.72Š| ||
| 20 | L | 86.6 | Confident | 88.5 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | trans | -58.7 | 136.6 | -171.6 | -60 | 167.6 | 0 | 0 | 0 | 112.6 | I5 I15 L18 I24 L27 L40 T43 | I5-L20 HydrophobicContact CD1-CD2 3.81Å; I15-L20 HydrophobicContact CG2-CD1 3.69Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 HydrophobicContact CB-CD2 3.76Å; L18-L20 HydrophobicContact CB-CG 3.93Å; L18-L20 HydrophobicContact CD1-CD2 4.21Å; L18-L20 PolarHBondContact O-N 2.9Å; L20-I24 HydrophobicContact CD2-CD1 4.15Å; L20-L27 HydrophobicContact CD1-CD2 3.59Å; L20-L27 HydrophobicContact CD2-CD1 3.94Å; L20-L27 HydrophobicContact CD2-CD2 4.44Å; L20-L40 HydrophobicContact CD1-CD2 3.53Å; L20-T43 HydrophobicContact CB-CG2 3.55Å; L20-T43 HydrophobicContact CD1-CG2 4.08Å; L20-T43 HydrophobicContact CG-CG2 4.48Å | ||
| 21 | S | 85 | Confident | 88.7 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | trans | -64.4 | 139.2 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | K23 I24 | S21-K23 PolarHBondContact O-N 3.38Å; S21-K23 VanDerWaalsContact O-N 3.11Å; S21-K23 PolarHBondContact OG-N 3.17Å; S21-I24 WeakPolarHBondContact O-CB 3.4Å; S21-I24 WeakPolarHBondContact O-CG2 3.35Å; S21-I24 PolarHBondContact O-N 3.28Å; S21-I24 VanDerWaalsContact O-N 3.16Å | ||
| 22 | P | 86 | Confident | 89.1 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.6 | 176.3 | 26.6 | -34.3 | 0 | 0 | 0 | 113.4 | R42 F45 | P22-R42 VanDerWaalsContact CA-O 3.32Å; P22-R42 WeakPolarHBondContact CA-O 3.18Å; P22-R42 WeakPolarHBondContact CB-O 3.41Å; P22-F45 WeakPolarHBondContact O-CD2 3.41Å |
| 23 | K | 85.8 | Confident | 89.3 | Confident | 152 Ų | 152 | 52.9 Ų | 52.9 | 66% | 0.661 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -0.4 | 179.2 | -64.2 | -174.3 | 177.6 | -176.7 | 0 | 114 | S21 T25 | S21-K23 PolarHBondContact O-N 3.38Å; S21-K23 VanDerWaalsContact O-N 3.11Å; S21-K23 PolarHBondContact OG-N 3.17Å; K23-T25 PolarHBondContact O-N 3.29Å |
| 24 | I | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -63.5 | 131 | -179.2 | -164.5 | 175.2 | 0 | 0 | 0 | 110.4 | T3 I5 L20 S21 V26 L27 T43 F45 L46 | T3-I24 CarbonylContact O-C 3.6Å; T3-I24 WeakPolarHBondContact O-CA 3.08Å; T3-I24 WeakPolarHBondContact O-CG1 3.42Å; I5-I24 HydrophobicContact CB-CD1 3.84Å; I5-I24 HydrophobicContact CD1-CD1 3.76Å; I5-I24 HydrophobicContact CG1-CD1 3.7Å; L20-I24 HydrophobicContact CD2-CD1 4.15Å; S21-I24 WeakPolarHBondContact O-CB 3.4Å; S21-I24 WeakPolarHBondContact O-CG2 3.35Å; S21-I24 PolarHBondContact O-N 3.28Å; S21-I24 VanDerWaalsContact O-N 3.16Å; I24-V26 WeakPolarHBondContact CD1-O 3.21Å; I24-V26 VanDerWaalsContact CG1-O 3.29Å; I24-V26 WeakPolarHBondContact CG1-O 3.15Å; I24-L27 HydrophobicContact CD1-CB 4Å; I24-L27 HydrophobicContact CD1-CD1 4.03Å; I24-L27 HydrophobicContact CD1-CG 4.5Å; I24-T43 HydrophobicContact CG2-CG2 3.43Å; I24-T43 VanDerWaalsContact CG2-CG2 3.43Å; I24-F45 CarbonylContact O-C 3.49Å; I24-L46 HydrophobicContact CG1-CD1 4.25Å; I24-L46 HydrophobicContact CG2-CD1 3.94Å; I24-L46 WeakPolarHBondContact O-CA 3.26Å; I24-L46 PolarHBondContact O-N 3.21Å | ||
| 25 | T | 88.9 | Confident | 89.7 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | trans | -107.6 | -27.5 | 177.4 | 48 | 0 | 0 | 0 | 0 | 111.5 | T3 K23 R47 Y48 | T3-T25 PolarHBondContact O-N 3.01Å; T3-T25 PolarHBondContact O-OG1 3.23Å; T3-T25 VanDerWaalsContact O-OG1 3.08Å; K23-T25 PolarHBondContact O-N 3.29Å; T25-R47 WeakPolarHBondContact O-CA 3.41Å; T25-R47 PolarHBondContact O-N 3.16Å; T25-Y48 PolarHBondContact O-N 3.38Å; T25-Y48 VanDerWaalsContact O-N 3.1Å | ||
| 26 | V | 90.7 | Very high | 89.7 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.2 | -179 | -169.2 | 0 | 0 | 0 | 0 | 111 | T3 E4 I5 I24 Y48 L199 F202 | T3-V26 PolarHBondContact O-N 3.33Å; E4-V26 WeakPolarHBondContact CA-O 3.42Å; E4-V26 HydrophobicContact CB-CB 4.17Å; E4-V26 HydrophobicContact CG-CB 3.94Å; E4-V26 HydrophobicContact CG-CG2 3.98Å; I5-V26 PolarHBondContact N-O 3.02Å; I24-V26 WeakPolarHBondContact CD1-O 3.21Å; I24-V26 VanDerWaalsContact CG1-O 3.29Å; I24-V26 WeakPolarHBondContact CG1-O 3.15Å; V26-Y48 HydrophobicContact CG1-CD1 3.49Å; V26-Y48 VanDerWaalsContact CG1-CD1 3.49Å; V26-Y48 HydrophobicContact CG1-CE1 4.27Å; V26-Y48 HydrophobicContact CG1-CG 4Å; V26-L199 HydrophobicContact CG1-CD2 4.17Å; V26-L199 HydrophobicContact CG2-CD2 4.22Å; V26-F202 HydrophobicContact CB-CE2 3.98Å; V26-F202 HydrophobicContact CB-CZ 4.29Å; V26-F202 HydrophobicContact CG1-CD2 3.89Å; V26-F202 HydrophobicContact CG1-CE1 3.98Å; V26-F202 HydrophobicContact CG1-CE2 3.15Å; V26-F202 HydrophobicContact CG1-CZ 3.18Å; V26-F202 HydrophobicContact CG2-CE2 4.49Å |
| 27 | L | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.4 | 177.4 | 179.9 | 61 | 0 | 0 | 0 | 109.8 | I5 L20 I24 L29 L40 L46 Y48 L49 D50 | I5-L27 HydrophobicContact CB-CD1 4.05Å; I5-L27 HydrophobicContact CG2-CD1 4.15Å; I5-L27 WeakPolarHBondContact O-CA 3.19Å; L20-L27 HydrophobicContact CD1-CD2 3.59Å; L20-L27 HydrophobicContact CD2-CD1 3.94Å; L20-L27 HydrophobicContact CD2-CD2 4.44Å; I24-L27 HydrophobicContact CD1-CB 4Å; I24-L27 HydrophobicContact CD1-CD1 4.03Å; I24-L27 HydrophobicContact CD1-CG 4.5Å; L27-L29 HydrophobicContact CD1-CD1 4.13Å; L27-L29 HydrophobicContact CD1-CD2 3.99Å; L27-L29 HydrophobicContact CD1-CG 3.88Å; L27-L29 HydrophobicContact CD2-CD1 4.01Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD1 4.07Å; L27-L29 HydrophobicContact CG-CG 3.98Å; L27-L40 HydrophobicContact CD2-CD2 3.66Å; L27-L46 HydrophobicContact CB-CD1 3.66Å; L27-L46 HydrophobicContact CB-CD2 4.39Å; L27-Y48 PolarHBondContact N-O 3.16Å; L27-L49 HydrophobicContact CB-CD1 4.12Å; L27-L49 HydrophobicContact CD2-CD1 3.85Å; L27-L49 HydrophobicContact CG-CD1 4.05Å; L27-L49 WeakPolarHBondContact O-CA 3.39Å; L27-D50 PolarHBondContact O-N 3.06Å |
| 28 | N | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.6 | 175.1 | -176.3 | -4.4 | 0 | 0 | 0 | 110.5 | I5 E6 L7 H30 D50 F202 | I5-N28 PolarHBondContact O-N 3.42Å; E6-N28 HydrophobicContact CG-CB 4.13Å; L7-N28 PolarHBondContact N-O 3.5Å; N28-H30 VanDerWaalsContact OD1-CB 3.24Å; N28-H30 WeakPolarHBondContact OD1-CB 3.26Å; N28-H30 PolarHBondContact OD1-N 3.29Å; N28-D50 HydrophobicContact CB-CB 4.34Å; N28-F202 HydrophobicContact CB-CE1 3.69Å; N28-F202 HydrophobicContact CB-CZ 4.06Å |
| 29 | L | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -125 | 32.5 | 179 | -59.3 | 177.8 | 0 | 0 | 0 | 110.5 | L7 I12 I15 L18 L27 N32 I34 D50 L51 N54 | L7-L29 HydrophobicContact CB-CD2 3.87Å; L7-L29 HydrophobicContact CD1-CD2 4.32Å; I12-L29 HydrophobicContact CD1-CD2 3.8Å; I15-L29 HydrophobicContact CD1-CD1 4.22Å; I15-L29 HydrophobicContact CG1-CD1 3.78Å; I15-L29 HydrophobicContact CG2-CD1 4.24Å; L18-L29 HydrophobicContact CD1-CD1 3.94Å; L18-L29 HydrophobicContact CD1-CD2 3.72Å; L27-L29 HydrophobicContact CD1-CD1 4.13Å; L27-L29 HydrophobicContact CD1-CD2 3.99Å; L27-L29 HydrophobicContact CD1-CG 3.88Å; L27-L29 HydrophobicContact CD2-CD1 4.01Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD1 4.07Å; L27-L29 HydrophobicContact CG-CG 3.98Å; L29-N32 PolarHBondContact O-ND2 2.66Å; L29-I34 HydrophobicContact CB-CD1 3.8Å; L29-I34 HydrophobicContact CD1-CD1 3.78Å; L29-I34 HydrophobicContact CG-CD1 4.39Å; L29-D50 PolarHBondContact N-O 3.44Å; L29-L51 HydrophobicContact CB-CD2 4Å; L29-L51 HydrophobicContact CD1-CD2 4.04Å; L29-N54 PolarHBondContact O-ND2 2.77Å | ||
| 30 | H | 92.8 | Very high | 90.5 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.06 | 19% | 0.186 | C | C | . | . | trans | -53.7 | 141.9 | 175.4 | 176.3 | 70.5 | 0 | 0 | 0 | 112.2 | I8 N9 N28 N32 S52 S53 S210 | I8-H30 WeakPolarHBondContact CA-O 3.28Å; I8-H30 HydrophobicContact CG1-CB 4.4Å; I8-H30 HydrophobicContact CG2-CB 4.27Å; N9-H30 PolarHBondContact N-O 2.91Å; N28-H30 VanDerWaalsContact OD1-CB 3.24Å; N28-H30 WeakPolarHBondContact OD1-CB 3.26Å; N28-H30 PolarHBondContact OD1-N 3.29Å; H30-N32 PolarHBondContact O-ND2 3.32Å; H30-S52 WeakPolarHBondContact CA-O 3.37Å; H30-S52 PolarHBondContact ND1-O 3.36Å; H30-S52 PolarHBondContact ND1-OG 3.42Å; H30-S53 PolarHBondContact CE1-OG 3.36Å; H30-S210 PolarHBondContact CE1-OG 3.02Å; H30-S210 PolarHBondContact NE2-OG 3.43Å | ||
| 31 | H | 92.9 | Very high | 90.5 | Very high | 80 Ų | 80 | 38 Ų | 38 | 37% | 0.37 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 58.8 | 51.3 | 173.9 | -155.1 | 78.9 | 0 | 0 | 0 | 114.1 | N9 S52 S53 | N9-H31 WeakPolarHBondContact CA-O 3.19Å; N9-H31 HydrophobicContact CB-CB 4.44Å; N9-H31 PolarHBondContact N-O 2.69Å; H31-S52 PolarHBondContact N-O 2.7Å; H31-S53 VanDerWaalsContact CA-O 3.23Å; H31-S53 WeakPolarHBondContact CA-O 3.26Å |
| 32 | N | 93.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -117.7 | -169 | 176.9 | -80.6 | -69.3 | 0 | 0 | 0 | 110.9 | L7 S10 G11 I12 L29 H30 I34 S53 N54 | L7-N32 PolarHBondContact O-ND2 3.33Å; S10-N32 PolarHBondContact N-OD1 3.33Å; G11-N32 PolarHBondContact N-OD1 2.83Å; G11-N32 VanDerWaalsContact N-OD1 3.13Å; I12-N32 HydrophobicContact CB-CB 4.19Å; I12-N32 PolarHBondContact N-OD1 2.82Å; I12-N32 WeakPolarHBondContact O-CB 3.48Å; L29-N32 PolarHBondContact O-ND2 2.66Å; H30-N32 PolarHBondContact O-ND2 3.32Å; N32-I34 HydrophobicContact CB-CD1 4.16Å; N32-I34 HydrophobicContact CB-CG1 4.13Å; N32-S53 PolarHBondContact N-O 3.34Å; N32-N54 VanDerWaalsContact CA-OD1 3.28Å; N32-N54 WeakPolarHBondContact CA-OD1 3.24Å; N32-N54 WeakPolarHBondContact CB-OD1 3.49Å; N32-N54 PolarHBondContact N-OD1 3.23Å; N32-N54 PolarHBondContact O-OD1 3.28Å; N32-N54 VanDerWaalsContact O-OD1 3.08Å |
| 33 | H | 93.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 43 Ų | 43 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | trans | -106.3 | 26.8 | 179.6 | -57.8 | -33.7 | 0 | 0 | 0 | 112.7 | I12 D13 S35 N54 Y55 | I12-H33 CarbonylContact O-C 3.38Å; I12-H33 WeakPolarHBondContact O-CA 3.35Å; I12-H33 PolarHBondContact O-N 3.09Å; D13-H33 HydrophobicContact CB-CB 4.43Å; H33-S35 PolarHBondContact O-N 3.35Å; H33-N54 PolarHBondContact N-OD1 2.8Å; H33-Y55 HydrophobicContact CB-CD2 4.3Å; H33-Y55 HydrophobicContact CB-CE2 4.12Å; H33-Y55 AromaticContact ND1-CE2 3.63Å | ||
| 34 | I | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -72.9 | 120.1 | -174.1 | -57.4 | 165.4 | 0 | 0 | 0 | 109.2 | I12 I15 L29 N32 E36 L51 N54 Y55 I56 | I12-I34 HydrophobicContact CG2-CD1 4.38Å; I12-I34 HydrophobicContact CG2-CG1 4.26Å; I12-I34 WeakPolarHBondContact O-CG1 3.45Å; I12-I34 PolarHBondContact O-N 2.78Å; I15-I34 HydrophobicContact CD1-CD1 4.26Å; I15-I34 HydrophobicContact CD1-CG2 4.06Å; I15-I34 HydrophobicContact CG1-CD1 3.77Å; I15-I34 HydrophobicContact CG1-CG1 4.31Å; I15-I34 HydrophobicContact CG1-CG2 4.05Å; L29-I34 HydrophobicContact CB-CD1 3.8Å; L29-I34 HydrophobicContact CD1-CD1 3.78Å; L29-I34 HydrophobicContact CG-CD1 4.39Å; N32-I34 HydrophobicContact CB-CD1 4.16Å; N32-I34 HydrophobicContact CB-CG1 4.13Å; I34-E36 WeakPolarHBondContact CG2-O 2.91Å; I34-L51 HydrophobicContact CD1-CD2 3.72Å; I34-N54 HydrophobicContact CB-CB 4.28Å; I34-N54 VanDerWaalsContact CB-OD1 3.25Å; I34-N54 WeakPolarHBondContact CB-OD1 3.5Å; I34-N54 WeakPolarHBondContact CG1-OD1 3.26Å; I34-N54 PolarHBondContact N-OD1 2.76Å; I34-Y55 CarbonylContact O-C 3.6Å; I34-Y55 WeakPolarHBondContact O-CA 3.18Å; I34-Y55 PolarHBondContact O-N 3.29Å; I34-I56 HydrophobicContact CG2-CD1 4.49Å; I34-I56 HydrophobicContact CG2-CG1 4.32Å; I34-I56 WeakPolarHBondContact O-CG1 3.42Å; I34-I56 PolarHBondContact O-N 3.25Å | ||
| 35 | S | 93.2 | Very high | 90.9 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | trans | -100.6 | -20.7 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | H33 | H33-S35 PolarHBondContact O-N 3.35Š| ||
| 36 | E | 92 | Very high | 91 | Very high | 111 Ų | 111 | 41.9 Ų | 41.9 | 52% | 0.519 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -139.8 | 136 | -178.3 | -64.5 | -175.9 | 177.2 | 0 | 0 | 111.8 | I34 N38 | I34-E36 WeakPolarHBondContact CG2-O 2.91Å; E36-N38 PolarHBondContact O-N 3.27Å; E36-N38 VanDerWaalsContact O-N 3.13Å; E36-N38 PolarHBondContact OE2-ND2 2.71Å |
| 37 | I | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -83.1 | 90.9 | 176.4 | -52.4 | 176.8 | 0 | 0 | 0 | 108.8 | I15 L40 L51 I56 C60 L62 L73 | I15-I37 HydrophobicContact CD1-CG2 4.45Å; I37-L40 HydrophobicContact CG2-CD1 3.79Å; I37-L51 HydrophobicContact CD1-CD1 3.96Å; I37-L51 HydrophobicContact CG1-CD1 3.97Å; I37-L51 HydrophobicContact CG2-CD1 4.29Å; I37-I56 HydrophobicContact CD1-CD1 4.15Å; I37-I56 HydrophobicContact CD1-CG2 4.14Å; I37-I56 HydrophobicContact CG1-CD1 3.78Å; I37-I56 HydrophobicContact CG1-CG1 4.29Å; I37-I56 HydrophobicContact CG1-CG2 4.03Å; I37-C60 VanDerWaalsContact CB-O 3.25Å; I37-C60 WeakPolarHBondContact CB-O 3.47Å; I37-C60 WeakPolarHBondContact CG2-O 3.4Å; I37-L62 HydrophobicContact CG2-CD2 3.72Å; I37-L62 HydrophobicContact CG2-CG 4.35Å; I37-L73 HydrophobicContact CD1-CD2 3.91Å | ||
| 38 | N | 88.9 | Confident | 91.1 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | trans | -134.2 | 134.8 | -176.1 | -86.8 | -40 | 0 | 0 | 0 | 110.9 | I15 K16 E36 | I15-N38 CarbonylContact C-O 3.38Å; I15-N38 VanDerWaalsContact CB-O 3.28Å; I15-N38 WeakPolarHBondContact CB-O 3.29Å; K16-N38 HydrophobicContact CD-CB 4.37Å; K16-N38 HydrophobicContact CG-CB 4.35Å; K16-N38 PolarHBondContact N-O 3.3Å; E36-N38 PolarHBondContact O-N 3.27Å; E36-N38 VanDerWaalsContact O-N 3.13Å; E36-N38 PolarHBondContact OE2-ND2 2.71Å | ||
| 39 | G | 86.9 | Confident | 91.2 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 107.9 | 2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K16 T41 | K16-G39 VanDerWaalsContact CG-CA 3.48Å; G39-T41 VanDerWaalsContact C-N 3.28Å; G39-T41 PolarHBondContact O-N 2.83Å |
| 40 | L | 90 | Very high | 91.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -86.4 | 8.7 | 175.4 | -59.1 | -179.7 | 0 | 0 | 0 | 113.6 | I15 L20 L27 I37 R42 T43 L49 L62 L65 | I15-L40 HydrophobicContact CG2-CD2 3.79Å; I15-L40 HydrophobicContact CG2-CG 4.31Å; L20-L40 HydrophobicContact CD1-CD2 3.53Å; L27-L40 HydrophobicContact CD2-CD2 3.66Å; I37-L40 HydrophobicContact CG2-CD1 3.79Å; L40-R42 PolarHBondContact O-N 3.31Å; L40-T43 WeakPolarHBondContact CA-OG1 3.35Å; L40-T43 PolarHBondContact O-N 3.23Å; L40-T43 PolarHBondContact O-OG1 3.37Å; L40-L49 HydrophobicContact CD1-CD1 4.37Å; L40-L49 HydrophobicContact CD1-CD2 3.59Å; L40-L62 HydrophobicContact CD1-CD2 4.02Å; L40-L65 HydrophobicContact CB-CD1 4.36Å; L40-L65 HydrophobicContact CB-CD2 4.3Å; L40-L65 HydrophobicContact CD1-CD1 4.09Å | ||
| 41 | T | 86.1 | Confident | 91.3 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.3 | -173.9 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | G39 N64 | G39-T41 VanDerWaalsContact C-N 3.28Å; G39-T41 PolarHBondContact O-N 2.83Å; T41-N64 PolarHBondContact O-ND2 2.9Å |
| 42 | R | 86.2 | Confident | 91.4 | Very high | 192 Ų | 192 | 41.4 Ų | 41.4 | 73% | 0.725 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -16.5 | 179.2 | -65.7 | -177.1 | 176.2 | -172.9 | -0.7 | 113.6 | P22 L40 T44 | P22-R42 VanDerWaalsContact CA-O 3.32Å; P22-R42 WeakPolarHBondContact CA-O 3.18Å; P22-R42 WeakPolarHBondContact CB-O 3.41Å; L40-R42 PolarHBondContact O-N 3.31Å; R42-T44 PolarHBondContact O-N 3.35Å |
| 43 | T | 90.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | trans | -87.6 | 53.6 | -172.1 | 58 | 0 | 0 | 0 | 0 | 111.1 | L20 I24 L40 F45 L46 L65 | L20-T43 HydrophobicContact CB-CG2 3.55Å; L20-T43 HydrophobicContact CD1-CG2 4.08Å; L20-T43 HydrophobicContact CG-CG2 4.48Å; I24-T43 HydrophobicContact CG2-CG2 3.43Å; I24-T43 VanDerWaalsContact CG2-CG2 3.43Å; L40-T43 WeakPolarHBondContact CA-OG1 3.35Å; L40-T43 PolarHBondContact O-N 3.23Å; L40-T43 PolarHBondContact O-OG1 3.37Å; T43-F45 PolarHBondContact O-N 3.08Å; T43-L46 VanDerWaalsContact O-CB 3.28Å; T43-L46 WeakPolarHBondContact O-CB 3.38Å; T43-L46 PolarHBondContact O-N 3.49Å; T43-L65 WeakPolarHBondContact O-CD2 3.46Å | ||
| 44 | T | 88.8 | Confident | 91.5 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.6 | -170.4 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | R42 L46 N64 H67 | R42-T44 PolarHBondContact O-N 3.35Å; T44-L46 VanDerWaalsContact C-N 3.32Å; T44-N64 HydrophobicContact CG2-CB 4.45Å; T44-H67 PolarHBondContact O-CD2 3.34Å; T44-H67 VanDerWaalsContact O-CD2 3.29Å |
| 45 | F | 90.6 | Very high | 91.5 | Very high | 111 Ų | 111 | 44 Ų | 44 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 4.2 | 179.3 | -68.2 | -77.2 | 0 | 0 | 0 | 114 | P22 I24 T43 R47 | P22-F45 WeakPolarHBondContact O-CD2 3.41Å; I24-F45 CarbonylContact O-C 3.49Å; T43-F45 PolarHBondContact O-N 3.08Å; F45-R47 PolarHBondContact O-N 3.48Å |
| 46 | L | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -62.2 | 125.5 | -179.3 | -163.7 | 73.1 | 0 | 0 | 0 | 110.4 | I24 L27 T43 T44 L49 L65 H67 L68 | I24-L46 HydrophobicContact CG1-CD1 4.25Å; I24-L46 HydrophobicContact CG2-CD1 3.94Å; I24-L46 WeakPolarHBondContact O-CA 3.26Å; I24-L46 PolarHBondContact O-N 3.21Å; L27-L46 HydrophobicContact CB-CD1 3.66Å; L27-L46 HydrophobicContact CB-CD2 4.39Å; T43-L46 VanDerWaalsContact O-CB 3.28Å; T43-L46 WeakPolarHBondContact O-CB 3.38Å; T43-L46 PolarHBondContact O-N 3.49Å; T44-L46 VanDerWaalsContact C-N 3.32Å; L46-L49 HydrophobicContact CD2-CB 3.87Å; L46-L49 HydrophobicContact CD2-CD1 4.14Å; L46-L49 HydrophobicContact CD2-CD2 4.19Å; L46-L49 HydrophobicContact CD2-CG 4.3Å; L46-L65 HydrophobicContact CB-CD2 4.25Å; L46-L65 HydrophobicContact CD2-CD1 4.19Å; L46-H67 CarbonylContact O-C 3.29Å; L46-L68 HydrophobicContact CD2-CD1 4.18Å; L46-L68 HydrophobicContact CG-CD1 4.16Å; L46-L68 WeakPolarHBondContact O-CA 3.41Å; L46-L68 PolarHBondContact O-N 3.48Å; L46-L68 VanDerWaalsContact O-N 3.08Å | ||
| 47 | R | 91.5 | Very high | 91.7 | Very high | 77 Ų | 77 | 40 Ų | 40 | 29% | 0.291 | 20% | 0.196 | S | C | . | . | trans | -107.6 | -31.3 | 179.6 | -64.4 | -174.9 | 179.9 | -165.9 | 0.4 | 112.1 | T25 F45 R69 V70 E198 | T25-R47 WeakPolarHBondContact O-CA 3.41Å; T25-R47 PolarHBondContact O-N 3.16Å; F45-R47 PolarHBondContact O-N 3.48Å; R47-R69 WeakPolarHBondContact O-CA 3.36Å; R47-R69 PolarHBondContact O-N 3.18Å; R47-V70 PolarHBondContact O-N 3.37Å; R47-E198 IonicContact CZ-OE2 3.65Å; R47-E198 IonicContact NH1-OE1 2.73Å; R47-E198 PolarHBondContact NH1-OE1 2.96Å; R47-E198 IonicContact NH1-OE2 3.67Å; R47-E198 PolarHBondContact NH1-OE2 2.99Å | ||
| 48 | Y | 92.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 47 Ų | 47 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.6 | 178 | 175.3 | -78 | 0 | 0 | 0 | 110.5 | T25 V26 L27 D50 V70 L199 F202 I206 | T25-Y48 PolarHBondContact O-N 3.38Å; T25-Y48 VanDerWaalsContact O-N 3.1Å; V26-Y48 HydrophobicContact CG1-CD1 3.49Å; V26-Y48 VanDerWaalsContact CG1-CD1 3.49Å; V26-Y48 HydrophobicContact CG1-CE1 4.27Å; V26-Y48 HydrophobicContact CG1-CG 4Å; L27-Y48 PolarHBondContact N-O 3.16Å; Y48-D50 HydrophobicContact CE1-CB 3.66Å; Y48-D50 PolarHBondContact OH-OD2 2.96Å; Y48-V70 HydrophobicContact CD2-CB 3.7Å; Y48-V70 HydrophobicContact CD2-CG1 3.76Å; Y48-V70 HydrophobicContact CD2-CG2 4.34Å; Y48-V70 HydrophobicContact CE2-CB 4.32Å; Y48-V70 HydrophobicContact CE2-CG1 3.85Å; Y48-V70 HydrophobicContact CG-CB 4.5Å; Y48-L199 HydrophobicContact CD1-CD2 4.34Å; Y48-L199 HydrophobicContact CD2-CD1 4.09Å; Y48-L199 HydrophobicContact CD2-CD2 3.61Å; Y48-L199 HydrophobicContact CE2-CD2 4.24Å; Y48-L199 HydrophobicContact CG-CD1 4.39Å; Y48-L199 HydrophobicContact CG-CD2 3.67Å; Y48-F202 HydrophobicContact CE1-CD1 4.18Å; Y48-F202 AromaticContact CE1-CE1 3.96Å; Y48-F202 HydrophobicContact CE1-CE1 3.96Å; Y48-I206 WeakPolarHBondContact OH-CD1 3.41Å |
| 49 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 114.7 | 177.1 | 178.5 | 55.6 | 0 | 0 | 0 | 109.6 | L27 L40 L46 L51 L62 L65 L68 V70 L71 N72 | L27-L49 HydrophobicContact CB-CD1 4.12Å; L27-L49 HydrophobicContact CD2-CD1 3.85Å; L27-L49 HydrophobicContact CG-CD1 4.05Å; L27-L49 WeakPolarHBondContact O-CA 3.39Å; L40-L49 HydrophobicContact CD1-CD1 4.37Å; L40-L49 HydrophobicContact CD1-CD2 3.59Å; L46-L49 HydrophobicContact CD2-CB 3.87Å; L46-L49 HydrophobicContact CD2-CD1 4.14Å; L46-L49 HydrophobicContact CD2-CD2 4.19Å; L46-L49 HydrophobicContact CD2-CG 4.3Å; L49-L51 HydrophobicContact CD1-CD1 3.98Å; L49-L51 HydrophobicContact CD1-CD2 4.44Å; L49-L51 HydrophobicContact CD1-CG 3.83Å; L49-L51 HydrophobicContact CD2-CD1 3.8Å; L49-L51 HydrophobicContact CD2-CG 4.5Å; L49-L51 HydrophobicContact CG-CD1 3.87Å; L49-L51 HydrophobicContact CG-CG 4.03Å; L49-L62 HydrophobicContact CD2-CD2 3.74Å; L49-L65 HydrophobicContact CD2-CD1 4.28Å; L49-L68 HydrophobicContact CB-CD1 3.78Å; L49-V70 PolarHBondContact N-O 3.49Å; L49-L71 HydrophobicContact CB-CD1 4.12Å; L49-L71 HydrophobicContact CD2-CD1 3.84Å; L49-L71 HydrophobicContact CG-CD1 3.99Å; L49-L71 WeakPolarHBondContact O-CA 3.34Å; L49-N72 PolarHBondContact O-N 3.25Å |
| 50 | D | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.4 | 170.1 | -162.8 | -23.9 | 0 | 0 | 0 | 110.7 | L27 N28 L29 Y48 S52 N72 | L27-D50 PolarHBondContact O-N 3.06Å; N28-D50 HydrophobicContact CB-CB 4.34Å; L29-D50 PolarHBondContact N-O 3.44Å; Y48-D50 HydrophobicContact CE1-CB 3.66Å; Y48-D50 PolarHBondContact OH-OD2 2.96Å; D50-S52 VanDerWaalsContact OD1-CB 3.26Å; D50-S52 WeakPolarHBondContact OD1-CB 3.19Å; D50-S52 PolarHBondContact OD1-N 3.31Å; D50-S52 PolarHBondContact OD1-OG 2.99Å; D50-N72 HydrophobicContact CB-CB 4.3Å; D50-N72 PolarHBondContact OD1-ND2 3.28Å; D50-N72 PolarHBondContact OD2-ND2 3.1Å |
| 51 | L | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -127.2 | 21.8 | 177.2 | -73.3 | 168.4 | 0 | 0 | 0 | 110.6 | I15 L29 I34 I37 L49 N54 I56 N72 L73 N76 | I15-L51 HydrophobicContact CD1-CD1 4.49Å; I15-L51 HydrophobicContact CD1-CD2 3.78Å; L29-L51 HydrophobicContact CB-CD2 4Å; L29-L51 HydrophobicContact CD1-CD2 4.04Å; I34-L51 HydrophobicContact CD1-CD2 3.72Å; I37-L51 HydrophobicContact CD1-CD1 3.96Å; I37-L51 HydrophobicContact CG1-CD1 3.97Å; I37-L51 HydrophobicContact CG2-CD1 4.29Å; L49-L51 HydrophobicContact CD1-CD1 3.98Å; L49-L51 HydrophobicContact CD1-CD2 4.44Å; L49-L51 HydrophobicContact CD1-CG 3.83Å; L49-L51 HydrophobicContact CD2-CD1 3.8Å; L49-L51 HydrophobicContact CD2-CG 4.5Å; L49-L51 HydrophobicContact CG-CD1 3.87Å; L49-L51 HydrophobicContact CG-CG 4.03Å; L51-N54 PolarHBondContact O-ND2 3.48Å; L51-I56 HydrophobicContact CB-CD1 3.81Å; L51-I56 HydrophobicContact CD1-CD1 4.06Å; L51-I56 HydrophobicContact CD2-CD1 4.43Å; L51-I56 HydrophobicContact CG-CD1 4.34Å; L51-N72 CarbonylContact C-O 3.53Å; L51-N72 PolarHBondContact N-O 3.01Å; L51-L73 HydrophobicContact CB-CD2 3.82Å; L51-L73 HydrophobicContact CD1-CD2 4.03Å; L51-N76 PolarHBondContact O-ND2 3.46Å | ||
| 52 | S | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66.8 | 155 | -178.9 | 55 | 0 | 0 | 0 | 0 | 112.7 | H30 H31 D50 N54 N72 S74 | H30-S52 WeakPolarHBondContact CA-O 3.37Å; H30-S52 PolarHBondContact ND1-O 3.36Å; H30-S52 PolarHBondContact ND1-OG 3.42Å; H31-S52 PolarHBondContact N-O 2.7Å; D50-S52 VanDerWaalsContact OD1-CB 3.26Å; D50-S52 WeakPolarHBondContact OD1-CB 3.19Å; D50-S52 PolarHBondContact OD1-N 3.31Å; D50-S52 PolarHBondContact OD1-OG 2.99Å; S52-N54 PolarHBondContact O-ND2 3.44Å; S52-N72 PolarHBondContact N-O 3Å; S52-N72 PolarHBondContact OG-ND2 2.95Å; S52-S74 CarbonylContact C-O 3.2Å; S52-S74 WeakPolarHBondContact CA-O 3.42Å; S52-S74 WeakPolarHBondContact CB-O 3.19Å; S52-S74 WeakPolarHBondContact CB-OG 3.38Å | ||
| 53 | S | 94.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 55.7 | 52.1 | -177.8 | -59.3 | 0 | 0 | 0 | 0 | 113 | H30 H31 N32 S74 S75 | H30-S53 PolarHBondContact CE1-OG 3.36Å; H31-S53 VanDerWaalsContact CA-O 3.23Å; H31-S53 WeakPolarHBondContact CA-O 3.26Å; N32-S53 PolarHBondContact N-O 3.34Å; S53-S74 PolarHBondContact N-O 2.84Å; S53-S75 VanDerWaalsContact CA-O 3.26Å; S53-S75 WeakPolarHBondContact CA-O 3.33Å; S53-S75 PolarHBondContact N-O 2.95Å |
| 54 | N | 95.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -125.6 | -168.7 | 176.1 | -84.5 | -84.3 | 0 | 0 | 0 | 109.7 | L29 N32 H33 I34 L51 S52 I56 S75 N76 | L29-N54 PolarHBondContact O-ND2 2.77Å; N32-N54 VanDerWaalsContact CA-OD1 3.28Å; N32-N54 WeakPolarHBondContact CA-OD1 3.24Å; N32-N54 WeakPolarHBondContact CB-OD1 3.49Å; N32-N54 PolarHBondContact N-OD1 3.23Å; N32-N54 PolarHBondContact O-OD1 3.28Å; N32-N54 VanDerWaalsContact O-OD1 3.08Å; H33-N54 PolarHBondContact N-OD1 2.8Å; I34-N54 HydrophobicContact CB-CB 4.28Å; I34-N54 VanDerWaalsContact CB-OD1 3.25Å; I34-N54 WeakPolarHBondContact CB-OD1 3.5Å; I34-N54 WeakPolarHBondContact CG1-OD1 3.26Å; I34-N54 PolarHBondContact N-OD1 2.76Å; L51-N54 PolarHBondContact O-ND2 3.48Å; S52-N54 PolarHBondContact O-ND2 3.44Å; N54-I56 HydrophobicContact CB-CD1 4.32Å; N54-I56 HydrophobicContact CB-CG1 4.25Å; N54-S75 PolarHBondContact N-O 2.78Å; N54-N76 WeakPolarHBondContact CA-OD1 3.47Å; N54-N76 WeakPolarHBondContact CB-OD1 3.3Å; N54-N76 PolarHBondContact N-OD1 2.76Å; N54-N76 PolarHBondContact O-OD1 3.09Å; N54-N76 VanDerWaalsContact O-OD1 3.12Å |
| 55 | Y | 94.5 | Very high | 92.7 | Very high | 118 Ų | 118 | 37.5 Ų | 37.5 | 46% | 0.463 | 18% | 0.179 | S | C | . | . | trans | -109 | 26.7 | 179.3 | -57.4 | -59.1 | 0 | 0 | 0 | 113.3 | H33 I34 T57 N76 | H33-Y55 HydrophobicContact CB-CD2 4.3Å; H33-Y55 HydrophobicContact CB-CE2 4.12Å; H33-Y55 AromaticContact ND1-CE2 3.63Å; I34-Y55 CarbonylContact O-C 3.6Å; I34-Y55 WeakPolarHBondContact O-CA 3.18Å; I34-Y55 PolarHBondContact O-N 3.29Å; Y55-T57 PolarHBondContact O-N 3.39Å; Y55-N76 PolarHBondContact N-OD1 2.86Å | ||
| 56 | I | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -68.5 | 126.9 | -175 | -59.2 | 165.5 | 0 | 0 | 0 | 109.7 | I34 I37 L51 N54 R58 L73 N76 K77 I78 | I34-I56 HydrophobicContact CG2-CD1 4.49Å; I34-I56 HydrophobicContact CG2-CG1 4.32Å; I34-I56 WeakPolarHBondContact O-CG1 3.42Å; I34-I56 PolarHBondContact O-N 3.25Å; I37-I56 HydrophobicContact CD1-CD1 4.15Å; I37-I56 HydrophobicContact CD1-CG2 4.14Å; I37-I56 HydrophobicContact CG1-CD1 3.78Å; I37-I56 HydrophobicContact CG1-CG1 4.29Å; I37-I56 HydrophobicContact CG1-CG2 4.03Å; L51-I56 HydrophobicContact CB-CD1 3.81Å; L51-I56 HydrophobicContact CD1-CD1 4.06Å; L51-I56 HydrophobicContact CD2-CD1 4.43Å; L51-I56 HydrophobicContact CG-CD1 4.34Å; N54-I56 HydrophobicContact CB-CD1 4.32Å; N54-I56 HydrophobicContact CB-CG1 4.25Å; I56-R58 WeakPolarHBondContact CG2-O 3.32Å; I56-L73 HydrophobicContact CD1-CD2 3.88Å; I56-N76 HydrophobicContact CB-CB 4.28Å; I56-N76 VanDerWaalsContact CB-OD1 3.26Å; I56-N76 WeakPolarHBondContact CB-OD1 3.23Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.32Å; I56-N76 PolarHBondContact N-OD1 3.46Å; I56-K77 CarbonylContact O-C 3.09Å; I56-K77 VanDerWaalsContact O-C 3.28Å; I56-K77 WeakPolarHBondContact O-CA 3.26Å; I56-K77 PolarHBondContact O-N 2.79Å; I56-I78 HydrophobicContact CG2-CD1 4.31Å; I56-I78 HydrophobicContact CG2-CG1 4.19Å; I56-I78 WeakPolarHBondContact O-CG1 3.4Å; I56-I78 PolarHBondContact O-N 3.49Å | ||
| 57 | T | 94.1 | Very high | 92.7 | Very high | 85 Ų | 85 | 41.6 Ų | 41.6 | 52% | 0.521 | 20% | 0.199 | S | C | . | . | trans | -103.4 | -20.3 | -179.6 | 55 | 0 | 0 | 0 | 0 | 113.6 | Y55 K77 | Y55-T57 PolarHBondContact O-N 3.39Å; T57-K77 HydrophobicContact CG2-CB 4.04Å | ||
| 58 | R | 93 | Very high | 92.8 | Very high | 146 Ų | 146 | 38 Ų | 38 | 55% | 0.551 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -147.9 | 142 | -178.1 | -169.7 | 176.3 | -175.8 | -167.8 | 0.2 | 111.4 | I56 C60 D82 | I56-R58 WeakPolarHBondContact CG2-O 3.32Å; R58-C60 PolarHBondContact O-N 3.03Å; R58-D82 IonicContact NE-OD2 2.8Å; R58-D82 IonicContact NH2-OD2 3.97Å |
| 59 | I | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -81 | 111.5 | 172.8 | -51.7 | 179.6 | 0 | 0 | 0 | 109.2 | L62 L73 I78 I81 D82 S83 L84 | I59-L62 HydrophobicContact CG2-CD1 3.61Å; I59-L62 HydrophobicContact CG2-CG 4.43Å; I59-L73 HydrophobicContact CD1-CD1 3.91Å; I59-L73 HydrophobicContact CG1-CD1 4.01Å; I59-I78 HydrophobicContact CD1-CD1 4.43Å; I59-I78 HydrophobicContact CD1-CG2 4.32Å; I59-I78 HydrophobicContact CG1-CD1 3.96Å; I59-I78 HydrophobicContact CG1-CG2 4.05Å; I59-I81 HydrophobicContact CD1-CG2 4.33Å; I59-D82 WeakPolarHBondContact CB-O 3.38Å; I59-D82 WeakPolarHBondContact CG2-O 3.24Å; I59-S83 WeakPolarHBondContact O-CB 3.33Å; I59-S83 PolarHBondContact O-OG 3.46Å; I59-L84 HydrophobicContact CD1-CD2 4.49Å; I59-L84 HydrophobicContact CG2-CD2 3.87Å | ||
| 60 | C | 90.6 | Very high | 92.7 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | trans | -145.9 | 167.1 | 176 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | I37 R58 L62 | I37-C60 VanDerWaalsContact CB-O 3.25Å; I37-C60 WeakPolarHBondContact CB-O 3.47Å; I37-C60 WeakPolarHBondContact CG2-O 3.4Å; R58-C60 PolarHBondContact O-N 3.03Å; C60-L62 VanDerWaalsContact C-N 3.25Å; C60-L62 PolarHBondContact O-N 3.47Å | ||
| 61 | G | 88.5 | Confident | 92.7 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 75.1 | 9.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E63 | G61-E63 VanDerWaalsContact C-OE2 3.26Å; G61-E63 WeakPolarHBondContact CA-OE2 3.28Å; G61-E63 PolarHBondContact N-OE1 3.04Å; G61-E63 PolarHBondContact N-OE2 3.05Å |
| 62 | L | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -97.2 | 3.1 | 177.5 | -57 | -179.6 | 0 | 0 | 0 | 112.6 | I37 L40 L49 I59 C60 N64 L65 L71 L84 L87 | I37-L62 HydrophobicContact CG2-CD2 3.72Å; I37-L62 HydrophobicContact CG2-CG 4.35Å; L40-L62 HydrophobicContact CD1-CD2 4.02Å; L49-L62 HydrophobicContact CD2-CD2 3.74Å; I59-L62 HydrophobicContact CG2-CD1 3.61Å; I59-L62 HydrophobicContact CG2-CG 4.43Å; C60-L62 VanDerWaalsContact C-N 3.25Å; C60-L62 PolarHBondContact O-N 3.47Å; L62-N64 PolarHBondContact O-N 2.93Å; L62-N64 VanDerWaalsContact O-N 3.08Å; L62-L65 HydrophobicContact CB-CD1 4.28Å; L62-L65 HydrophobicContact CD2-CD1 3.54Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-L65 VanDerWaalsContact O-N 3.09Å; L62-L71 HydrophobicContact CD1-CD1 4.4Å; L62-L71 HydrophobicContact CD1-CD2 3.62Å; L62-L84 HydrophobicContact CD1-CD2 4.25Å; L62-L87 HydrophobicContact CB-CD1 4.45Å; L62-L87 HydrophobicContact CB-CD2 4.46Å; L62-L87 HydrophobicContact CD1-CD1 4.39Å; L62-L87 WeakPolarHBondContact O-CD2 3.48Å | ||
| 63 | E | 89 | Confident | 92.8 | Very high | 76 Ų | 76 | 43 Ų | 43 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.7 | -165.1 | -53.6 | 82.1 | -172.4 | 0 | 0 | 113.8 | G61 N86 | G61-E63 VanDerWaalsContact C-OE2 3.26Å; G61-E63 WeakPolarHBondContact CA-OE2 3.28Å; G61-E63 PolarHBondContact N-OE1 3.04Å; G61-E63 PolarHBondContact N-OE2 3.05Å; E63-N86 WeakPolarHBondContact O-CB 3.39Å; E63-N86 PolarHBondContact O-ND2 3.04Å |
| 64 | N | 90.8 | Very high | 92.8 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.7 | -178.5 | -68.9 | -15.3 | 0 | 0 | 0 | 113.8 | T41 T44 L62 Q66 | T41-N64 PolarHBondContact O-ND2 2.9Å; T44-N64 HydrophobicContact CG2-CB 4.45Å; L62-N64 PolarHBondContact O-N 2.93Å; L62-N64 VanDerWaalsContact O-N 3.08Å; N64-Q66 PolarHBondContact O-N 3.1Å |
| 65 | L | 93 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -87.7 | 55.1 | -172.4 | -53.3 | -178.2 | 0 | 0 | 0 | 112 | L40 T43 L46 L49 L62 H67 L68 L87 | L40-L65 HydrophobicContact CB-CD1 4.36Å; L40-L65 HydrophobicContact CB-CD2 4.3Å; L40-L65 HydrophobicContact CD1-CD1 4.09Å; T43-L65 WeakPolarHBondContact O-CD2 3.46Å; L46-L65 HydrophobicContact CB-CD2 4.25Å; L46-L65 HydrophobicContact CD2-CD1 4.19Å; L49-L65 HydrophobicContact CD2-CD1 4.28Å; L62-L65 HydrophobicContact CB-CD1 4.28Å; L62-L65 HydrophobicContact CD2-CD1 3.54Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-L65 VanDerWaalsContact O-N 3.09Å; L65-H67 PolarHBondContact O-N 3.07Å; L65-H67 VanDerWaalsContact O-N 3.1Å; L65-L68 HydrophobicContact CB-CB 4Å; L65-L68 HydrophobicContact CB-CD2 4.47Å; L65-L68 HydrophobicContact CD1-CD2 4.28Å; L65-L68 WeakPolarHBondContact O-CB 3.48Å; L65-L68 PolarHBondContact O-N 3.4Å; L65-L87 HydrophobicContact CB-CD2 3.97Å; L65-L87 VanDerWaalsContact O-CD2 3.25Å; L65-L87 WeakPolarHBondContact O-CD2 3.47Å | ||
| 66 | Q | 90.5 | Very high | 92.8 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.8 | -173.5 | -63.4 | 178.4 | -0 | 0 | 0 | 113.9 | N64 C89 | N64-Q66 PolarHBondContact O-N 3.1Å; Q66-C89 WeakPolarHBondContact O-CB 3.37Å; Q66-C89 PolarHBondContact O-SG 3.45Å |
| 67 | H | 91.4 | Very high | 92.8 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 39% | 0.389 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 1.3 | 176.9 | -64.9 | -55.6 | 0 | 0 | 0 | 113.8 | T44 L46 L65 R69 | T44-H67 PolarHBondContact O-CD2 3.34Å; T44-H67 VanDerWaalsContact O-CD2 3.29Å; L46-H67 CarbonylContact O-C 3.29Å; L65-H67 PolarHBondContact O-N 3.07Å; L65-H67 VanDerWaalsContact O-N 3.1Å; H67-R69 PolarHBondContact O-N 2.91Å |
| 68 | L | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -65.9 | 128.2 | -179.8 | -165.6 | 69.8 | 0 | 0 | 0 | 109.7 | L46 L49 L65 L71 L87 C89 L90 | L46-L68 HydrophobicContact CD2-CD1 4.18Å; L46-L68 HydrophobicContact CG-CD1 4.16Å; L46-L68 WeakPolarHBondContact O-CA 3.41Å; L46-L68 PolarHBondContact O-N 3.48Å; L46-L68 VanDerWaalsContact O-N 3.08Å; L49-L68 HydrophobicContact CB-CD1 3.78Å; L65-L68 HydrophobicContact CB-CB 4Å; L65-L68 HydrophobicContact CB-CD2 4.47Å; L65-L68 HydrophobicContact CD1-CD2 4.28Å; L65-L68 WeakPolarHBondContact O-CB 3.48Å; L65-L68 PolarHBondContact O-N 3.4Å; L68-L71 HydrophobicContact CD2-CB 4.04Å; L68-L71 HydrophobicContact CD2-CD1 4.29Å; L68-L71 HydrophobicContact CD2-CD2 4.4Å; L68-L71 HydrophobicContact CD2-CG 4.49Å; L68-L87 HydrophobicContact CB-CD2 4.34Å; L68-L87 HydrophobicContact CD2-CD1 4.28Å; L68-L87 HydrophobicContact CD2-CD2 4.4Å; L68-C89 CarbonylContact O-C 3.42Å; L68-L90 HydrophobicContact CD2-CD1 4.3Å; L68-L90 HydrophobicContact CG-CD1 4.26Å; L68-L90 WeakPolarHBondContact O-CA 3.4Å; L68-L90 PolarHBondContact O-N 3.39Å | ||
| 69 | R | 92 | Very high | 92.9 | Very high | 89 Ų | 89 | 39.2 Ų | 39.2 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | trans | -114.4 | -34.3 | -178.3 | -74 | -174.9 | 173.9 | -146.2 | 2.8 | 112.4 | R47 H67 C89 V91 R92 D195 L196 | R47-R69 WeakPolarHBondContact O-CA 3.36Å; R47-R69 PolarHBondContact O-N 3.18Å; H67-R69 PolarHBondContact O-N 2.91Å; R69-C89 WeakPolarHBondContact CA-O 3.35Å; R69-C89 HydrophobicContact CG-CB 4.42Å; R69-C89 WeakPolarHBondContact CG-O 3.49Å; R69-V91 HydrophobicContact CB-CG2 4.4Å; R69-V91 HydrophobicContact CG-CG2 4.43Å; R69-V91 WeakPolarHBondContact O-CA 3.37Å; R69-V91 PolarHBondContact O-N 3.31Å; R69-R92 PolarHBondContact O-N 3.05Å; R69-D195 PolarHBondContact NH1-O 2.86Å; R69-L196 HydrophobicContact CB-CD1 3.42Å; R69-L196 VanDerWaalsContact CB-CD1 3.42Å; R69-L196 HydrophobicContact CB-CG 4.34Å; R69-L196 VanDerWaalsContact CD-CD2 3.4Å; R69-L196 HydrophobicContact CG-CD1 4.22Å | ||
| 70 | V | 92.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | R47 Y48 L49 R92 L196 | R47-V70 PolarHBondContact O-N 3.37Å; Y48-V70 HydrophobicContact CD2-CB 3.7Å; Y48-V70 HydrophobicContact CD2-CG1 3.76Å; Y48-V70 HydrophobicContact CD2-CG2 4.34Å; Y48-V70 HydrophobicContact CE2-CB 4.32Å; Y48-V70 HydrophobicContact CE2-CG1 3.85Å; Y48-V70 HydrophobicContact CG-CB 4.5Å; L49-V70 PolarHBondContact N-O 3.49Å; V70-R92 HydrophobicContact CG1-CB 4.47Å; V70-R92 HydrophobicContact CG2-CB 4.39Å; V70-L196 HydrophobicContact CG2-CD1 3.55Å |
| 71 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 114.8 | 174.9 | 177.6 | 58 | 0 | 0 | 0 | 109.2 | L49 L62 L68 L73 L84 L87 L90 R92 L93 D94 | L49-L71 HydrophobicContact CB-CD1 4.12Å; L49-L71 HydrophobicContact CD2-CD1 3.84Å; L49-L71 HydrophobicContact CG-CD1 3.99Å; L49-L71 WeakPolarHBondContact O-CA 3.34Å; L62-L71 HydrophobicContact CD1-CD1 4.4Å; L62-L71 HydrophobicContact CD1-CD2 3.62Å; L68-L71 HydrophobicContact CD2-CB 4.04Å; L68-L71 HydrophobicContact CD2-CD1 4.29Å; L68-L71 HydrophobicContact CD2-CD2 4.4Å; L68-L71 HydrophobicContact CD2-CG 4.49Å; L71-L73 HydrophobicContact CD1-CD1 4.09Å; L71-L73 HydrophobicContact CD1-CD2 4.44Å; L71-L73 HydrophobicContact CD1-CG 3.92Å; L71-L73 HydrophobicContact CD2-CD1 3.78Å; L71-L73 HydrophobicContact CD2-CG 4.46Å; L71-L73 HydrophobicContact CG-CD1 3.86Å; L71-L73 HydrophobicContact CG-CG 4Å; L71-L84 HydrophobicContact CD2-CD2 4.03Å; L71-L87 HydrophobicContact CD2-CD1 4.46Å; L71-L90 HydrophobicContact CB-CD1 3.8Å; L71-R92 PolarHBondContact N-O 3.36Å; L71-L93 HydrophobicContact CB-CD1 4.23Å; L71-L93 HydrophobicContact CD2-CD1 3.85Å; L71-L93 HydrophobicContact CG-CD1 4.09Å; L71-D94 PolarHBondContact O-N 2.85Å |
| 72 | N | 94.2 | Very high | 92.9 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.7 | 173.7 | -173.4 | 6.7 | 0 | 0 | 0 | 110.2 | L49 D50 L51 S52 S74 D94 | L49-N72 PolarHBondContact O-N 3.25Å; D50-N72 HydrophobicContact CB-CB 4.3Å; D50-N72 PolarHBondContact OD1-ND2 3.28Å; D50-N72 PolarHBondContact OD2-ND2 3.1Å; L51-N72 CarbonylContact C-O 3.53Å; L51-N72 PolarHBondContact N-O 3.01Å; S52-N72 PolarHBondContact N-O 3Å; S52-N72 PolarHBondContact OG-ND2 2.95Å; N72-S74 WeakPolarHBondContact OD1-CB 3.43Å; N72-S74 PolarHBondContact OD1-N 2.76Å; N72-S74 VanDerWaalsContact OD1-N 3.11Å; N72-S74 PolarHBondContact OD1-OG 3.35Å; N72-D94 HydrophobicContact CB-CB 4.47Å |
| 73 | L | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -124.7 | 19.9 | 178.3 | -72.1 | 167.8 | 0 | 0 | 0 | 110.7 | I37 L51 I56 I59 L71 N76 I78 D94 V95 N98 | I37-L73 HydrophobicContact CD1-CD2 3.91Å; L51-L73 HydrophobicContact CB-CD2 3.82Å; L51-L73 HydrophobicContact CD1-CD2 4.03Å; I56-L73 HydrophobicContact CD1-CD2 3.88Å; I59-L73 HydrophobicContact CD1-CD1 3.91Å; I59-L73 HydrophobicContact CG1-CD1 4.01Å; L71-L73 HydrophobicContact CD1-CD1 4.09Å; L71-L73 HydrophobicContact CD1-CD2 4.44Å; L71-L73 HydrophobicContact CD1-CG 3.92Å; L71-L73 HydrophobicContact CD2-CD1 3.78Å; L71-L73 HydrophobicContact CD2-CG 4.46Å; L71-L73 HydrophobicContact CG-CD1 3.86Å; L71-L73 HydrophobicContact CG-CG 4Å; L73-N76 PolarHBondContact O-ND2 2.81Å; L73-N76 VanDerWaalsContact O-ND2 3.08Å; L73-I78 HydrophobicContact CB-CD1 3.88Å; L73-I78 HydrophobicContact CD1-CD1 4.02Å; L73-I78 HydrophobicContact CD2-CD1 4.31Å; L73-I78 HydrophobicContact CG-CD1 4.31Å; L73-D94 WeakPolarHBondContact CA-O 3.46Å; L73-D94 PolarHBondContact N-O 3.36Å; L73-V95 HydrophobicContact CB-CG1 4.05Å; L73-V95 HydrophobicContact CD1-CG1 4.34Å; L73-N98 PolarHBondContact O-ND2 3.35Å | ||
| 74 | S | 94.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | trans | -59.6 | 154.9 | -180 | 56 | 0 | 0 | 0 | 0 | 112.4 | S52 S53 N72 N76 S96 | S52-S74 CarbonylContact C-O 3.2Å; S52-S74 WeakPolarHBondContact CA-O 3.42Å; S52-S74 WeakPolarHBondContact CB-O 3.19Å; S52-S74 WeakPolarHBondContact CB-OG 3.38Å; S53-S74 PolarHBondContact N-O 2.84Å; N72-S74 WeakPolarHBondContact OD1-CB 3.43Å; N72-S74 PolarHBondContact OD1-N 2.76Å; N72-S74 VanDerWaalsContact OD1-N 3.11Å; N72-S74 PolarHBondContact OD1-OG 3.35Å; S74-N76 PolarHBondContact O-N 2.83Å; S74-N76 PolarHBondContact O-ND2 2.98Å; S74-S96 CarbonylContact C-O 3.28Å; S74-S96 WeakPolarHBondContact CA-O 3.45Å; S74-S96 WeakPolarHBondContact CB-OG 3.49Å | ||
| 75 | S | 94.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 42 Ų | 42 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 55.5 | 49 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | S53 N54 S96 F97 | S53-S75 VanDerWaalsContact CA-O 3.26Å; S53-S75 WeakPolarHBondContact CA-O 3.33Å; S53-S75 PolarHBondContact N-O 2.95Å; N54-S75 PolarHBondContact N-O 2.78Å; S75-S96 PolarHBondContact N-O 2.9Å; S75-F97 VanDerWaalsContact CA-O 3.28Å; S75-F97 WeakPolarHBondContact CA-O 3.27Å; S75-F97 PolarHBondContact N-O 3.5Å |
| 76 | N | 96.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -121.8 | -165.9 | 174.5 | -84.7 | -83.4 | 0 | 0 | 0 | 109.6 | L51 N54 Y55 I56 L73 S74 I78 F97 N98 | L51-N76 PolarHBondContact O-ND2 3.46Å; N54-N76 WeakPolarHBondContact CA-OD1 3.47Å; N54-N76 WeakPolarHBondContact CB-OD1 3.3Å; N54-N76 PolarHBondContact N-OD1 2.76Å; N54-N76 PolarHBondContact O-OD1 3.09Å; N54-N76 VanDerWaalsContact O-OD1 3.12Å; Y55-N76 PolarHBondContact N-OD1 2.86Å; I56-N76 HydrophobicContact CB-CB 4.28Å; I56-N76 VanDerWaalsContact CB-OD1 3.26Å; I56-N76 WeakPolarHBondContact CB-OD1 3.23Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.32Å; I56-N76 PolarHBondContact N-OD1 3.46Å; L73-N76 PolarHBondContact O-ND2 2.81Å; L73-N76 VanDerWaalsContact O-ND2 3.08Å; S74-N76 PolarHBondContact O-N 2.83Å; S74-N76 PolarHBondContact O-ND2 2.98Å; N76-I78 HydrophobicContact CB-CD1 4.27Å; N76-I78 HydrophobicContact CB-CG1 4.2Å; N76-F97 PolarHBondContact N-O 3.42Å; N76-N98 VanDerWaalsContact CA-OD1 3.32Å; N76-N98 WeakPolarHBondContact CA-OD1 3.33Å; N76-N98 WeakPolarHBondContact CB-OD1 3.47Å; N76-N98 PolarHBondContact N-OD1 3.4Å; N76-N98 PolarHBondContact O-OD1 3.28Å |
| 77 | K | 94.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 40.3 Ų | 40.3 | 45% | 0.452 | 19% | 0.193 | S | C | . | . | trans | -116.1 | 31.4 | 179.8 | -62.8 | -176 | 179.9 | 177.2 | 0 | 112.4 | I56 T57 N98 | I56-K77 CarbonylContact O-C 3.09Å; I56-K77 VanDerWaalsContact O-C 3.28Å; I56-K77 WeakPolarHBondContact O-CA 3.26Å; I56-K77 PolarHBondContact O-N 2.79Å; T57-K77 HydrophobicContact CG2-CB 4.04Å; K77-N98 PolarHBondContact N-OD1 2.8Å | ||
| 78 | I | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -74 | 129.7 | -175.3 | -59.1 | 167.7 | 0 | 0 | 0 | 109.7 | I56 I59 L73 N76 F80 N98 E99 I100 | I56-I78 HydrophobicContact CG2-CD1 4.31Å; I56-I78 HydrophobicContact CG2-CG1 4.19Å; I56-I78 WeakPolarHBondContact O-CG1 3.4Å; I56-I78 PolarHBondContact O-N 3.49Å; I59-I78 HydrophobicContact CD1-CD1 4.43Å; I59-I78 HydrophobicContact CD1-CG2 4.32Å; I59-I78 HydrophobicContact CG1-CD1 3.96Å; I59-I78 HydrophobicContact CG1-CG2 4.05Å; L73-I78 HydrophobicContact CB-CD1 3.88Å; L73-I78 HydrophobicContact CD1-CD1 4.02Å; L73-I78 HydrophobicContact CD2-CD1 4.31Å; L73-I78 HydrophobicContact CG-CD1 4.31Å; N76-I78 HydrophobicContact CB-CD1 4.27Å; N76-I78 HydrophobicContact CB-CG1 4.2Å; I78-F80 WeakPolarHBondContact CG2-O 3.48Å; I78-N98 HydrophobicContact CB-CB 4.31Å; I78-N98 VanDerWaalsContact CB-OD1 3.24Å; I78-N98 WeakPolarHBondContact CB-OD1 3.43Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.28Å; I78-N98 PolarHBondContact N-OD1 3.44Å; I78-E99 CarbonylContact O-C 3.05Å; I78-E99 WeakPolarHBondContact O-CA 3.39Å; I78-E99 PolarHBondContact O-N 2.82Å; I78-I100 HydrophobicContact CG2-CD1 4.44Å; I78-I100 HydrophobicContact CG2-CG1 4.26Å; I78-I100 WeakPolarHBondContact O-CG1 3.5Å; I78-I100 PolarHBondContact O-N 2.94Å | ||
| 79 | R | 93.8 | Very high | 92.4 | Very high | 139 Ų | 139 | 41.7 Ų | 41.7 | 53% | 0.525 | 21% | 0.206 | S | C | . | . | trans | -103.6 | -26.6 | 178.7 | -69.4 | -179.6 | 179.9 | 174.6 | 2.2 | 114.8 | E99 I100 T101 | R79-E99 WeakPolarHBondContact CA-O 3.49Å; R79-E99 HydrophobicContact CG-CB 3.77Å; R79-E99 IonicContact CZ-OE2 3.72Å; R79-E99 IonicContact NE-OE2 2.88Å; R79-E99 PolarHBondContact NE-OE2 3.48Å; R79-E99 IonicContact NH2-OE2 3.54Å; R79-E99 PolarHBondContact NH2-OE2 3.2Å; R79-I100 WeakPolarHBondContact O-CA 3.31Å; R79-T101 PolarHBondContact O-N 3.43Å | ||
| 80 | F | 91.5 | Very high | 92.4 | Very high | 115 Ų | 115 | 37.6 Ų | 37.6 | 50% | 0.504 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -138.7 | 134.3 | -174.7 | -56.1 | -75.4 | 0 | 0 | 0 | 109.5 | I78 D82 | I78-F80 WeakPolarHBondContact CG2-O 3.48Å; F80-D82 PolarHBondContact O-N 3.47Å |
| 81 | I | 91.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -83.4 | 113.1 | 171.2 | -57.4 | 176.8 | 0 | 0 | 0 | 107.2 | I59 L84 V95 I100 L103 G105 L106 L121 | I59-I81 HydrophobicContact CD1-CG2 4.33Å; I81-L84 HydrophobicContact CG2-CD1 3.43Å; I81-L84 VanDerWaalsContact CG2-CD1 3.43Å; I81-L84 HydrophobicContact CG2-CG 4.13Å; I81-V95 HydrophobicContact CD1-CG2 4.44Å; I81-I100 HydrophobicContact CD1-CD1 4.13Å; I81-I100 HydrophobicContact CD1-CG2 4.38Å; I81-I100 HydrophobicContact CG1-CD1 3.84Å; I81-I100 HydrophobicContact CG1-CG2 4.22Å; I81-L103 HydrophobicContact CD1-CD2 3.69Å; I81-G105 VanDerWaalsContact O-CA 3.26Å; I81-G105 WeakPolarHBondContact O-CA 3.32Å; I81-L106 HydrophobicContact CD1-CD1 3.81Å; I81-L106 HydrophobicContact CD1-CD2 4.24Å; I81-L106 HydrophobicContact CD1-CG 3.91Å; I81-L106 HydrophobicContact CG2-CD2 3.83Å; I81-L106 HydrophobicContact CG2-CG 4.12Å; I81-L121 HydrophobicContact CD1-CD2 4.46Å | ||
| 82 | D | 88.8 | Confident | 92.3 | Very high | 55 Ų | 55 | 38.3 Ų | 38.3 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | trans | -134.9 | 169.2 | 177.6 | -77 | -22 | 0 | 0 | 0 | 109.4 | R58 I59 F80 L84 | R58-D82 IonicContact NE-OD2 2.8Å; R58-D82 IonicContact NH2-OD2 3.97Å; I59-D82 WeakPolarHBondContact CB-O 3.38Å; I59-D82 WeakPolarHBondContact CG2-O 3.24Å; F80-D82 PolarHBondContact O-N 3.47Å; D82-L84 VanDerWaalsContact C-N 3.26Å; D82-L84 PolarHBondContact O-N 3.38Å; D82-L84 VanDerWaalsContact O-N 3.15Å | ||
| 83 | S | 86.9 | Confident | 92.3 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 24% | 0.238 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 63.1 | 21 | 166.8 | -40.5 | 0 | 0 | 0 | 0 | 116.3 | I59 | I59-S83 WeakPolarHBondContact O-CB 3.33Å; I59-S83 PolarHBondContact O-OG 3.46Å |
| 84 | L | 90.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | trans | -93 | -2.3 | 174.8 | -57.2 | -177.1 | 0 | 0 | 0 | 113.2 | I59 L62 L71 I81 D82 N86 L87 L93 L106 L109 | I59-L84 HydrophobicContact CD1-CD2 4.49Å; I59-L84 HydrophobicContact CG2-CD2 3.87Å; L62-L84 HydrophobicContact CD1-CD2 4.25Å; L71-L84 HydrophobicContact CD2-CD2 4.03Å; I81-L84 HydrophobicContact CG2-CD1 3.43Å; I81-L84 VanDerWaalsContact CG2-CD1 3.43Å; I81-L84 HydrophobicContact CG2-CG 4.13Å; D82-L84 VanDerWaalsContact C-N 3.26Å; D82-L84 PolarHBondContact O-N 3.38Å; D82-L84 VanDerWaalsContact O-N 3.15Å; L84-N86 PolarHBondContact O-N 3.48Å; L84-L87 HydrophobicContact CB-CD1 4.28Å; L84-L87 HydrophobicContact CD2-CD1 3.54Å; L84-L87 HydrophobicContact CG-CD1 4.49Å; L84-L87 WeakPolarHBondContact O-CB 3.48Å; L84-L87 PolarHBondContact O-N 3Å; L84-L93 HydrophobicContact CD1-CD1 4.38Å; L84-L93 HydrophobicContact CD1-CD2 3.72Å; L84-L106 HydrophobicContact CD1-CD2 4.14Å; L84-L109 HydrophobicContact CB-CD1 4.13Å; L84-L109 HydrophobicContact CB-CD2 4.14Å; L84-L109 HydrophobicContact CD1-CD1 4.42Å; L84-L109 VanDerWaalsContact O-CD2 3.3Å; L84-L109 WeakPolarHBondContact O-CD2 3.28Å | ||
| 85 | D | 88.3 | Confident | 92.2 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.7 | -169.2 | -59.7 | -18.5 | 0 | 0 | 0 | 114.3 | K108 Y114 | D85-K108 VanDerWaalsContact CG-CD 3.47Å; D85-K108 WeakPolarHBondContact OD1-CB 3.47Å; D85-K108 WeakPolarHBondContact OD1-CD 3.39Å; D85-K108 IonicContact OD1-NZ 3.96Å; D85-K108 VanDerWaalsContact OD2-CD 3.26Å; D85-K108 WeakPolarHBondContact OD2-CD 3.47Å; D85-K108 IonicContact OD2-NZ 2.79Å; D85-K108 PolarHBondContact OD2-NZ 3.24Å; D85-Y114 WeakPolarHBondContact O-CE1 3.4Å; D85-Y114 PolarHBondContact O-OH 3.05Å |
| 86 | N | 90 | Very high | 92.2 | Very high | 75 Ų | 75 | 36.1 Ų | 36.1 | 40% | 0.401 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -2.9 | -179.4 | -68.3 | -17 | 0 | 0 | 0 | 114 | E63 L84 N88 | E63-N86 WeakPolarHBondContact O-CB 3.39Å; E63-N86 PolarHBondContact O-ND2 3.04Å; L84-N86 PolarHBondContact O-N 3.48Å; N86-N88 PolarHBondContact O-N 3.3Å |
| 87 | L | 92.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -87.7 | 58.5 | -173.2 | -54.8 | -179.1 | 0 | 0 | 0 | 111.4 | L62 L65 L68 L71 L84 C89 L90 | L62-L87 HydrophobicContact CB-CD1 4.45Å; L62-L87 HydrophobicContact CB-CD2 4.46Å; L62-L87 HydrophobicContact CD1-CD1 4.39Å; L62-L87 WeakPolarHBondContact O-CD2 3.48Å; L65-L87 HydrophobicContact CB-CD2 3.97Å; L65-L87 VanDerWaalsContact O-CD2 3.25Å; L65-L87 WeakPolarHBondContact O-CD2 3.47Å; L68-L87 HydrophobicContact CB-CD2 4.34Å; L68-L87 HydrophobicContact CD2-CD1 4.28Å; L68-L87 HydrophobicContact CD2-CD2 4.4Å; L71-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 HydrophobicContact CB-CD1 4.28Å; L84-L87 HydrophobicContact CD2-CD1 3.54Å; L84-L87 HydrophobicContact CG-CD1 4.49Å; L84-L87 WeakPolarHBondContact O-CB 3.48Å; L84-L87 PolarHBondContact O-N 3Å; L87-C89 PolarHBondContact O-N 3.16Å; L87-L90 HydrophobicContact CB-CB 3.94Å; L87-L90 HydrophobicContact CB-CD2 4.42Å; L87-L90 HydrophobicContact CD1-CD2 4.22Å; L87-L90 WeakPolarHBondContact O-CB 3.34Å; L87-L90 PolarHBondContact O-N 2.93Å | ||
| 88 | N | 90 | Very high | 92.2 | Very high | 69 Ų | 69 | 33.8 Ų | 33.8 | 37% | 0.369 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30.4 | -174 | -63.5 | -2.7 | 0 | 0 | 0 | 113.2 | N86 L90 G113 Y114 S115 | N86-N88 PolarHBondContact O-N 3.3Å; N88-L90 VanDerWaalsContact C-N 3.33Å; N88-G113 WeakPolarHBondContact CB-O 3.34Å; N88-Y114 CarbonylContact O-C 3.58Å; N88-Y114 WeakPolarHBondContact O-CA 3.47Å; N88-Y114 WeakPolarHBondContact OD1-CE1 3.44Å; N88-S115 WeakPolarHBondContact O-CB 3.33Å; N88-S115 PolarHBondContact O-N 2.85Å; N88-S115 PolarHBondContact O-OG 3.48Å; N88-S115 VanDerWaalsContact O-OG 3.04Å |
| 89 | C | 91.4 | Very high | 92.1 | Very high | 44 Ų | 44 | 36.9 Ų | 36.9 | 30% | 0.297 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.6 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | Q66 L68 R69 L87 V91 | Q66-C89 WeakPolarHBondContact O-CB 3.37Å; Q66-C89 PolarHBondContact O-SG 3.45Å; L68-C89 CarbonylContact O-C 3.42Å; R69-C89 WeakPolarHBondContact CA-O 3.35Å; R69-C89 HydrophobicContact CG-CB 4.42Å; R69-C89 WeakPolarHBondContact CG-O 3.49Å; L87-C89 PolarHBondContact O-N 3.16Å; C89-V91 WeakPolarHBondContact O-CG2 3.34Å; C89-V91 PolarHBondContact O-N 3.01Å |
| 90 | L | 92.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | trans | -66.3 | 119.7 | -176.7 | -169.5 | 69.6 | 0 | 0 | 0 | 109.2 | L68 L71 L87 N88 L93 S115 L116 | L68-L90 HydrophobicContact CD2-CD1 4.3Å; L68-L90 HydrophobicContact CG-CD1 4.26Å; L68-L90 WeakPolarHBondContact O-CA 3.4Å; L68-L90 PolarHBondContact O-N 3.39Å; L71-L90 HydrophobicContact CB-CD1 3.8Å; L87-L90 HydrophobicContact CB-CB 3.94Å; L87-L90 HydrophobicContact CB-CD2 4.42Å; L87-L90 HydrophobicContact CD1-CD2 4.22Å; L87-L90 WeakPolarHBondContact O-CB 3.34Å; L87-L90 PolarHBondContact O-N 2.93Å; N88-L90 VanDerWaalsContact C-N 3.33Å; L90-L93 HydrophobicContact CD2-CB 4.26Å; L90-S115 CarbonylContact O-C 3.46Å; L90-L116 HydrophobicContact CD2-CD1 4.11Å; L90-L116 HydrophobicContact CG-CD1 4.09Å; L90-L116 WeakPolarHBondContact O-CA 3.23Å; L90-L116 PolarHBondContact O-N 3.41Å | ||
| 91 | V | 91.6 | Very high | 92.3 | Very high | 14 Ų | 14 | 28 Ų | 28 | 9% | 0.085 | 15% | 0.152 | C | C | . | . | trans | -99.6 | -39.3 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | R69 C89 S115 T117 T118 D195 | R69-V91 HydrophobicContact CB-CG2 4.4Å; R69-V91 HydrophobicContact CG-CG2 4.43Å; R69-V91 WeakPolarHBondContact O-CA 3.37Å; R69-V91 PolarHBondContact O-N 3.31Å; C89-V91 WeakPolarHBondContact O-CG2 3.34Å; C89-V91 PolarHBondContact O-N 3.01Å; V91-S115 WeakPolarHBondContact CA-O 3.38Å; V91-T117 PolarHBondContact O-N 3.47Å; V91-T118 PolarHBondContact O-N 2.94Å; V91-D195 HydrophobicContact CG1-CB 3.81Å; V91-D195 WeakPolarHBondContact CG1-OD2 3.42Å | ||
| 92 | R | 91.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 6% | 0.06 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.1 | -179.3 | -175 | 169 | -62.1 | 129.3 | -6.4 | 112.6 | R69 V70 L71 T118 D191 V192 | R69-R92 PolarHBondContact O-N 3.05Å; V70-R92 HydrophobicContact CG1-CB 4.47Å; V70-R92 HydrophobicContact CG2-CB 4.39Å; L71-R92 PolarHBondContact N-O 3.36Å; R92-T118 WeakPolarHBondContact CA-O 3.4Å; R92-T118 HydrophobicContact CG-CG2 4.07Å; R92-D191 PolarHBondContact NH2-O 2.9Å; R92-V192 PolarHBondContact NH1-O 3.44Å |
| 93 | L | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.3 | 172.5 | 178.2 | 64.9 | 0 | 0 | 0 | 109.4 | L71 L84 L90 V95 L106 L116 T118 I119 I120 | L71-L93 HydrophobicContact CB-CD1 4.23Å; L71-L93 HydrophobicContact CD2-CD1 3.85Å; L71-L93 HydrophobicContact CG-CD1 4.09Å; L84-L93 HydrophobicContact CD1-CD1 4.38Å; L84-L93 HydrophobicContact CD1-CD2 3.72Å; L90-L93 HydrophobicContact CD2-CB 4.26Å; L93-V95 HydrophobicContact CD1-CG1 3.8Å; L93-V95 HydrophobicContact CD2-CG1 4.44Å; L93-V95 HydrophobicContact CD2-CG2 4.48Å; L93-V95 HydrophobicContact CG-CG1 4.02Å; L93-V95 HydrophobicContact CG-CG2 4.32Å; L93-L106 HydrophobicContact CD2-CD2 4.01Å; L93-L116 HydrophobicContact CB-CD1 4.05Å; L93-T118 PolarHBondContact N-O 3.47Å; L93-I119 WeakPolarHBondContact O-CA 3.47Å; L93-I120 PolarHBondContact O-N 3.22Å |
| 94 | D | 94.2 | Very high | 92.7 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.8 | 168.5 | -167 | -18.5 | 0 | 0 | 0 | 109.5 | L71 N72 L73 S96 I120 | L71-D94 PolarHBondContact O-N 2.85Å; N72-D94 HydrophobicContact CB-CB 4.47Å; L73-D94 WeakPolarHBondContact CA-O 3.46Å; L73-D94 PolarHBondContact N-O 3.36Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 2.85Å; D94-S96 PolarHBondContact OD1-OG 3.03Å; D94-I120 HydrophobicContact CB-CB 4.25Å; D94-I120 HydrophobicContact CB-CD1 4.28Å |
| 95 | V | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -132 | 28.2 | 176.8 | -74.5 | 0 | 0 | 0 | 0 | 109.7 | L73 I81 L93 N98 I100 I120 L121 N124 | L73-V95 HydrophobicContact CB-CG1 4.05Å; L73-V95 HydrophobicContact CD1-CG1 4.34Å; I81-V95 HydrophobicContact CD1-CG2 4.44Å; L93-V95 HydrophobicContact CD1-CG1 3.8Å; L93-V95 HydrophobicContact CD2-CG1 4.44Å; L93-V95 HydrophobicContact CD2-CG2 4.48Å; L93-V95 HydrophobicContact CG-CG1 4.02Å; L93-V95 HydrophobicContact CG-CG2 4.32Å; V95-N98 PolarHBondContact O-ND2 2.98Å; V95-I100 HydrophobicContact CB-CD1 3.71Å; V95-I100 HydrophobicContact CG1-CD1 4.38Å; V95-I100 HydrophobicContact CG2-CD1 3.83Å; V95-I120 CarbonylContact C-O 3.55Å; V95-I120 WeakPolarHBondContact CG2-O 3.33Å; V95-I120 PolarHBondContact N-O 3.44Å; V95-L121 HydrophobicContact CG2-CD2 3.43Å; V95-L121 VanDerWaalsContact CG2-CD2 3.43Å; V95-L121 HydrophobicContact CG2-CG 4.08Å; V95-N124 PolarHBondContact O-ND2 3.24Å | ||
| 96 | S | 94 | Very high | 92.8 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | trans | -61.1 | 159.1 | 176.4 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | S74 S75 D94 N98 I120 Q122 | S74-S96 CarbonylContact C-O 3.28Å; S74-S96 WeakPolarHBondContact CA-O 3.45Å; S74-S96 WeakPolarHBondContact CB-OG 3.49Å; S75-S96 PolarHBondContact N-O 2.9Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 2.85Å; D94-S96 PolarHBondContact OD1-OG 3.03Å; S96-N98 VanDerWaalsContact C-N 3.32Å; S96-N98 PolarHBondContact O-N 2.84Å; S96-N98 PolarHBondContact O-ND2 3.31Å; S96-I120 PolarHBondContact N-O 2.92Å; S96-Q122 CarbonylContact C-O 3.34Å; S96-Q122 WeakPolarHBondContact CA-O 3.34Å; S96-Q122 VanDerWaalsContact CB-O 3.27Å; S96-Q122 WeakPolarHBondContact CB-O 3.28Å | ||
| 97 | F | 94.2 | Very high | 92.7 | Very high | 56 Ų | 56 | 27.1 Ų | 27.1 | 25% | 0.246 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 52.8 | 47.1 | 176.9 | -56 | -78.9 | 0 | 0 | 0 | 113.5 | S75 N76 Q122 G123 D154 | S75-F97 VanDerWaalsContact CA-O 3.28Å; S75-F97 WeakPolarHBondContact CA-O 3.27Å; S75-F97 PolarHBondContact N-O 3.5Å; N76-F97 PolarHBondContact N-O 3.42Å; F97-Q122 HydrophobicContact CE2-CG 4.26Å; F97-Q122 PolarHBondContact N-O 3Å; F97-G123 WeakPolarHBondContact CA-O 3.48Å; F97-D154 HydrophobicContact CE1-CB 3.8Å; F97-D154 WeakPolarHBondContact CE1-OD2 3.4Å; F97-D154 HydrophobicContact CZ-CB 3.96Å; F97-D154 WeakPolarHBondContact CZ-OD2 3.38Å |
| 98 | N | 95.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -122 | -174.6 | 175.1 | -85.5 | -87.5 | 0 | 0 | 0 | 109.7 | L73 N76 K77 I78 V95 S96 I100 G123 N124 | L73-N98 PolarHBondContact O-ND2 3.35Å; N76-N98 VanDerWaalsContact CA-OD1 3.32Å; N76-N98 WeakPolarHBondContact CA-OD1 3.33Å; N76-N98 WeakPolarHBondContact CB-OD1 3.47Å; N76-N98 PolarHBondContact N-OD1 3.4Å; N76-N98 PolarHBondContact O-OD1 3.28Å; K77-N98 PolarHBondContact N-OD1 2.8Å; I78-N98 HydrophobicContact CB-CB 4.31Å; I78-N98 VanDerWaalsContact CB-OD1 3.24Å; I78-N98 WeakPolarHBondContact CB-OD1 3.43Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.28Å; I78-N98 PolarHBondContact N-OD1 3.44Å; V95-N98 PolarHBondContact O-ND2 2.98Å; S96-N98 VanDerWaalsContact C-N 3.32Å; S96-N98 PolarHBondContact O-N 2.84Å; S96-N98 PolarHBondContact O-ND2 3.31Å; N98-I100 HydrophobicContact CB-CD1 4.22Å; N98-I100 HydrophobicContact CB-CG1 4.07Å; N98-G123 PolarHBondContact N-O 2.88Å; N98-N124 WeakPolarHBondContact CA-OD1 3.48Å; N98-N124 WeakPolarHBondContact CB-OD1 3.34Å; N98-N124 PolarHBondContact N-OD1 3.44Å; N98-N124 PolarHBondContact O-OD1 2.87Å |
| 99 | E | 94.5 | Very high | 92.2 | Very high | 65 Ų | 65 | 29 Ų | 29 | 30% | 0.304 | 15% | 0.154 | S | C | . | . | trans | -101.7 | 29 | 178.5 | -64.9 | -179.6 | -168.5 | 0 | 0 | 111.8 | I78 R79 T101 | I78-E99 CarbonylContact O-C 3.05Å; I78-E99 WeakPolarHBondContact O-CA 3.39Å; I78-E99 PolarHBondContact O-N 2.82Å; R79-E99 WeakPolarHBondContact CA-O 3.49Å; R79-E99 HydrophobicContact CG-CB 3.77Å; R79-E99 IonicContact CZ-OE2 3.72Å; R79-E99 IonicContact NE-OE2 2.88Å; R79-E99 PolarHBondContact NE-OE2 3.48Å; R79-E99 IonicContact NH2-OE2 3.54Å; R79-E99 PolarHBondContact NH2-OE2 3.2Å; E99-T101 PolarHBondContact O-N 2.86Å | ||
| 100 | I | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -71.3 | 122 | -171.9 | -59.5 | 168.5 | 0 | 0 | 0 | 110.1 | I78 R79 I81 V95 N98 L103 L121 N124 Q125 I126 | I78-I100 HydrophobicContact CG2-CD1 4.44Å; I78-I100 HydrophobicContact CG2-CG1 4.26Å; I78-I100 WeakPolarHBondContact O-CG1 3.5Å; I78-I100 PolarHBondContact O-N 2.94Å; R79-I100 WeakPolarHBondContact O-CA 3.31Å; I81-I100 HydrophobicContact CD1-CD1 4.13Å; I81-I100 HydrophobicContact CD1-CG2 4.38Å; I81-I100 HydrophobicContact CG1-CD1 3.84Å; I81-I100 HydrophobicContact CG1-CG2 4.22Å; V95-I100 HydrophobicContact CB-CD1 3.71Å; V95-I100 HydrophobicContact CG1-CD1 4.38Å; V95-I100 HydrophobicContact CG2-CD1 3.83Å; N98-I100 HydrophobicContact CB-CD1 4.22Å; N98-I100 HydrophobicContact CB-CG1 4.07Å; I100-L103 HydrophobicContact CG2-CD2 4.15Å; I100-L121 HydrophobicContact CD1-CD2 4.26Å; I100-N124 HydrophobicContact CB-CB 4.24Å; I100-N124 WeakPolarHBondContact CB-OD1 3.31Å; I100-N124 VanDerWaalsContact CG1-OD1 3.32Å; I100-N124 WeakPolarHBondContact CG1-OD1 3.35Å; I100-N124 PolarHBondContact N-OD1 3.3Å; I100-Q125 CarbonylContact O-C 3.59Å; I100-Q125 VanDerWaalsContact O-C 3.29Å; I100-Q125 WeakPolarHBondContact O-CA 3.41Å; I100-Q125 PolarHBondContact O-N 3.46Å; I100-I126 PolarHBondContact O-N 2.83Å | ||
| 101 | T | 93.3 | Very high | 91.2 | Very high | 67 Ų | 67 | 33.9 Ų | 33.9 | 41% | 0.411 | 18% | 0.177 | S | C | . | . | trans | -104.5 | -20.9 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | R79 E99 Q125 | R79-T101 PolarHBondContact O-N 3.43Å; E99-T101 PolarHBondContact O-N 2.86Å; T101-Q125 HydrophobicContact CG2-CB 3.94Å | ||
| 102 | S | 92 | Very high | 90.5 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -142.3 | 135.8 | -171.2 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | V104 H131 | S102-V104 WeakPolarHBondContact OG-CG2 3.33Å; S102-H131 WeakPolarHBondContact CA-NE2 3.28Å; S102-H131 PolarHBondContact OG-CE1 3.48Å; S102-H131 PolarHBondContact OG-NE2 3.3Å |
| 103 | L | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -100.2 | 13.6 | -179.8 | -59.5 | -175.9 | 0 | 0 | 0 | 113.9 | I81 I100 G105 L106 L121 I126 H131 I132 C135 L136 | I81-L103 HydrophobicContact CD1-CD2 3.69Å; I100-L103 HydrophobicContact CG2-CD2 4.15Å; L103-G105 PolarHBondContact O-N 3.42Å; L103-G105 VanDerWaalsContact O-N 3.15Å; L103-L106 HydrophobicContact CB-CD1 4.23Å; L103-L106 HydrophobicContact CD2-CD1 4.02Å; L103-L106 WeakPolarHBondContact O-CB 3.38Å; L103-L106 PolarHBondContact O-N 3.25Å; L103-L121 HydrophobicContact CD1-CD1 4.02Å; L103-L121 HydrophobicContact CD2-CD1 3.84Å; L103-L121 HydrophobicContact CD2-CD2 3.95Å; L103-I126 HydrophobicContact CD1-CD1 4.09Å; L103-I126 HydrophobicContact CD2-CD1 3.86Å; L103-I126 HydrophobicContact CG-CD1 4.07Å; L103-H131 PolarHBondContact N-NE2 3.43Å; L103-H131 VanDerWaalsContact N-NE2 3.14Å; L103-I132 HydrophobicContact CD1-CG1 4.06Å; L103-I132 HydrophobicContact CD1-CG2 4.5Å; L103-C135 VanDerWaalsContact C-SG 3.59Å; L103-C135 HydrophobicContact CB-CB 3.75Å; L103-L136 HydrophobicContact CD1-CD1 4.4Å; L103-L136 HydrophobicContact CD1-CD2 4.41Å; L103-L136 HydrophobicContact CD1-CG 4.41Å | ||
| 104 | V | 91.7 | Very high | 89.9 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -55.9 | -36.2 | -173.7 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | S102 L106 K107 | S102-V104 WeakPolarHBondContact OG-CG2 3.33Å; V104-L106 PolarHBondContact O-N 2.86Å; V104-K107 WeakPolarHBondContact O-CB 3.4Å; V104-K107 PolarHBondContact O-N 2.97Å; V104-K107 VanDerWaalsContact O-N 3.07Å |
| 105 | G | 88.4 | Confident | 89.7 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -66.3 | -23.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I81 L103 K107 | I81-G105 VanDerWaalsContact O-CA 3.26Å; I81-G105 WeakPolarHBondContact O-CA 3.32Å; L103-G105 PolarHBondContact O-N 3.42Å; L103-G105 VanDerWaalsContact O-N 3.15Å; G105-K107 VanDerWaalsContact C-N 3.26Å; G105-K107 PolarHBondContact O-N 3.03Å |
| 106 | L | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -70.2 | -25 | 173.5 | -63.9 | 177.5 | 0 | 0 | 0 | 112.1 | I81 L84 L93 L103 V104 K108 L109 I119 L136 L139 | I81-L106 HydrophobicContact CD1-CD1 3.81Å; I81-L106 HydrophobicContact CD1-CD2 4.24Å; I81-L106 HydrophobicContact CD1-CG 3.91Å; I81-L106 HydrophobicContact CG2-CD2 3.83Å; I81-L106 HydrophobicContact CG2-CG 4.12Å; L84-L106 HydrophobicContact CD1-CD2 4.14Å; L93-L106 HydrophobicContact CD2-CD2 4.01Å; L103-L106 HydrophobicContact CB-CD1 4.23Å; L103-L106 HydrophobicContact CD2-CD1 4.02Å; L103-L106 WeakPolarHBondContact O-CB 3.38Å; L103-L106 PolarHBondContact O-N 3.25Å; V104-L106 PolarHBondContact O-N 2.86Å; L106-K108 PolarHBondContact O-N 2.81Å; L106-L109 HydrophobicContact CD2-CD1 3.83Å; L106-L109 WeakPolarHBondContact O-CB 3.39Å; L106-L109 PolarHBondContact O-N 3.2Å; L106-I119 HydrophobicContact CD1-CD1 4.1Å; L106-L136 HydrophobicContact CB-CD2 4.17Å; L106-L136 HydrophobicContact CD1-CD2 3.71Å; L106-L139 WeakPolarHBondContact O-CD1 3.47Å |
| 107 | K | 87.8 | Confident | 89.4 | Confident | 79 Ų | 79 | 46 Ų | 46 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -57.4 | -23.8 | 179.8 | -167.5 | 174.3 | -177.8 | 174 | 0 | 112.9 | V104 G105 F110 E134 | V104-K107 WeakPolarHBondContact O-CB 3.4Å; V104-K107 PolarHBondContact O-N 2.97Å; V104-K107 VanDerWaalsContact O-N 3.07Å; G105-K107 VanDerWaalsContact C-N 3.26Å; G105-K107 PolarHBondContact O-N 3.03Å; K107-F110 WeakPolarHBondContact O-CD1 3.29Å; K107-E134 IonicContact NZ-OE1 3.31Å; K107-E134 PolarHBondContact NZ-OE1 3.01Å |
| 108 | K | 85.4 | Confident | 89.4 | Confident | 109 Ų | 109 | 43.4 Ų | 43.4 | 47% | 0.474 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -79.7 | -18 | 179 | -65.7 | 178.7 | 173.1 | 180 | 0 | 114.1 | D85 L106 F110 | D85-K108 VanDerWaalsContact CG-CD 3.47Å; D85-K108 WeakPolarHBondContact OD1-CB 3.47Å; D85-K108 WeakPolarHBondContact OD1-CD 3.39Å; D85-K108 IonicContact OD1-NZ 3.96Å; D85-K108 VanDerWaalsContact OD2-CD 3.26Å; D85-K108 WeakPolarHBondContact OD2-CD 3.47Å; D85-K108 IonicContact OD2-NZ 2.79Å; D85-K108 PolarHBondContact OD2-NZ 3.24Å; L106-K108 PolarHBondContact O-N 2.81Å; K108-F110 VanDerWaalsContact O-CD1 3.27Å; K108-F110 WeakPolarHBondContact O-CD1 3.4Å; K108-F110 PolarHBondContact O-N 3.4Å |
| 109 | L | 87.5 | Confident | 89.3 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | trans | -82.2 | 51.4 | 179.4 | -51.6 | -177.8 | 0 | 0 | 0 | 110.9 | L84 L106 Y114 L116 | L84-L109 HydrophobicContact CB-CD1 4.13Å; L84-L109 HydrophobicContact CB-CD2 4.14Å; L84-L109 HydrophobicContact CD1-CD1 4.42Å; L84-L109 VanDerWaalsContact O-CD2 3.3Å; L84-L109 WeakPolarHBondContact O-CD2 3.28Å; L106-L109 HydrophobicContact CD2-CD1 3.83Å; L106-L109 WeakPolarHBondContact O-CB 3.39Å; L106-L109 PolarHBondContact O-N 3.2Å; L109-Y114 HydrophobicContact CB-CD1 4.09Å; L109-Y114 HydrophobicContact CB-CE1 4.37Å; L109-Y114 HydrophobicContact CB-CG 4.35Å; L109-Y114 HydrophobicContact CD2-CD1 3.97Å; L109-Y114 HydrophobicContact CD2-CE1 3.65Å; L109-L116 HydrophobicContact CD1-CD2 3.85Å | ||
| 110 | F | 82 | Confident | 89.3 | Confident | 127 Ų | 127 | 40.7 Ų | 40.7 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | trans | -106.6 | 144.7 | -175.2 | 70 | -89.2 | 0 | 0 | 0 | 112.4 | K107 K108 Y114 N138 | K107-F110 WeakPolarHBondContact O-CD1 3.29Å; K108-F110 VanDerWaalsContact O-CD1 3.27Å; K108-F110 WeakPolarHBondContact O-CD1 3.4Å; K108-F110 PolarHBondContact O-N 3.4Å; F110-Y114 WeakPolarHBondContact O-CD2 3.42Å; F110-Y114 WeakPolarHBondContact O-CE2 3.48Å; F110-N138 HydrophobicContact CB-CB 3.8Å | ||
| 111 | G | 80 | Confident | 89.2 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 107.5 | 166.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | G113 Y114 | G111-G113 PolarHBondContact O-N 3.04Å; G111-G113 VanDerWaalsContact O-N 3.17Å; G111-Y114 PolarHBondContact O-N 3.24Å |
| 112 | P | 77.2 | Confident | 89.2 | Confident | 126 Ų | 126 | 38.5 Ų | 38.5 | 82% | 0.818 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12.7 | -172.2 | 28.7 | -35.9 | 0 | 0 | 0 | 114 | Y114 | P112-Y114 VanDerWaalsContact C-N 3.31Š|
| 113 | G | 84 | Confident | 89.2 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N88 G111 | N88-G113 WeakPolarHBondContact CB-O 3.34Å; G111-G113 PolarHBondContact O-N 3.04Å; G111-G113 VanDerWaalsContact O-N 3.17Å |
| 114 | Y | 90.2 | Very high | 89.3 | Confident | 49 Ų | 49 | 38.2 Ų | 38.2 | 19% | 0.192 | 22% | 0.224 | C | C | . | . | trans | -97.2 | 132.2 | 178.6 | -67.3 | -86.1 | 0 | 0 | 0 | 110.9 | D85 N88 L109 F110 G111 P112 N141 | D85-Y114 WeakPolarHBondContact O-CE1 3.4Å; D85-Y114 PolarHBondContact O-OH 3.05Å; N88-Y114 CarbonylContact O-C 3.58Å; N88-Y114 WeakPolarHBondContact O-CA 3.47Å; N88-Y114 WeakPolarHBondContact OD1-CE1 3.44Å; L109-Y114 HydrophobicContact CB-CD1 4.09Å; L109-Y114 HydrophobicContact CB-CE1 4.37Å; L109-Y114 HydrophobicContact CB-CG 4.35Å; L109-Y114 HydrophobicContact CD2-CD1 3.97Å; L109-Y114 HydrophobicContact CD2-CE1 3.65Å; F110-Y114 WeakPolarHBondContact O-CD2 3.42Å; F110-Y114 WeakPolarHBondContact O-CE2 3.48Å; G111-Y114 PolarHBondContact O-N 3.24Å; P112-Y114 VanDerWaalsContact C-N 3.31Å; Y114-N141 PolarHBondContact O-ND2 3.01Å | ||
| 115 | S | 90.5 | Very high | 89.4 | Confident | 47 Ų | 47 | 39.3 Ų | 39.3 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | trans | -98.3 | 10.2 | -172.8 | -51 | 0 | 0 | 0 | 0 | 114.1 | N88 L90 V91 T117 | N88-S115 WeakPolarHBondContact O-CB 3.33Å; N88-S115 PolarHBondContact O-N 2.85Å; N88-S115 PolarHBondContact O-OG 3.48Å; N88-S115 VanDerWaalsContact O-OG 3.04Å; L90-S115 CarbonylContact O-C 3.46Å; V91-S115 WeakPolarHBondContact CA-O 3.38Å; S115-T117 PolarHBondContact O-N 3.35Å; S115-T117 VanDerWaalsContact O-N 3.17Å; S115-T117 PolarHBondContact O-OG1 3.43Å | ||
| 116 | L | 92.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | trans | -69.4 | 114.4 | -168.7 | -171.8 | 63 | 0 | 0 | 0 | 111.4 | L90 L93 L109 I119 L139 N141 L142 | L90-L116 HydrophobicContact CD2-CD1 4.11Å; L90-L116 HydrophobicContact CG-CD1 4.09Å; L90-L116 WeakPolarHBondContact O-CA 3.23Å; L90-L116 PolarHBondContact O-N 3.41Å; L93-L116 HydrophobicContact CB-CD1 4.05Å; L109-L116 HydrophobicContact CD1-CD2 3.85Å; L116-I119 HydrophobicContact CD1-CG1 4.34Å; L116-I119 HydrophobicContact CD2-CD1 3.73Å; L116-I119 HydrophobicContact CD2-CG1 3.94Å; L116-I119 HydrophobicContact CG-CD1 4.29Å; L116-I119 HydrophobicContact CG-CG1 4.09Å; L116-L139 HydrophobicContact CD2-CD2 4.01Å; L116-N141 CarbonylContact O-C 3.46Å; L116-L142 WeakPolarHBondContact O-CA 3.36Å; L116-L142 PolarHBondContact O-N 3.45Å; L116-L142 VanDerWaalsContact O-N 3.15Å | ||
| 117 | T | 90.9 | Very high | 89.6 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | trans | -113.9 | -37.2 | -172.3 | -64.6 | 0 | 0 | 0 | 0 | 112.7 | V91 S115 N141 R143 Q144 | V91-T117 PolarHBondContact O-N 3.47Å; S115-T117 PolarHBondContact O-N 3.35Å; S115-T117 VanDerWaalsContact O-N 3.17Å; S115-T117 PolarHBondContact O-OG1 3.43Å; T117-N141 VanDerWaalsContact CA-O 3.32Å; T117-N141 WeakPolarHBondContact CA-O 3.47Å; T117-N141 PolarHBondContact OG1-O 2.99Å; T117-R143 HydrophobicContact CG2-CB 3.76Å; T117-R143 HydrophobicContact CG2-CG 3.7Å; T117-R143 PolarHBondContact O-N 2.93Å; T117-Q144 PolarHBondContact O-N 3.46Å | ||
| 118 | T | 92.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.8 | -178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | V91 R92 L93 I120 Q144 | V91-T118 PolarHBondContact O-N 2.94Å; R92-T118 WeakPolarHBondContact CA-O 3.4Å; R92-T118 HydrophobicContact CG-CG2 4.07Å; L93-T118 PolarHBondContact N-O 3.47Å; T118-I120 HydrophobicContact CG2-CG1 4.13Å; T118-Q144 WeakPolarHBondContact CA-O 3.38Å; T118-Q144 HydrophobicContact CG2-CB 4.08Å; T118-Q144 HydrophobicContact CG2-CG 4.02Å; T118-Q144 PolarHBondContact OG1-OE1 2.97Å |
| 119 | I | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124.4 | 172.4 | -59.8 | 176 | 0 | 0 | 0 | 109.4 | L93 L106 L116 L121 L136 L139 L142 Q144 L145 V146 | L93-I119 WeakPolarHBondContact O-CA 3.47Å; L106-I119 HydrophobicContact CD1-CD1 4.1Å; L116-I119 HydrophobicContact CD1-CG1 4.34Å; L116-I119 HydrophobicContact CD2-CD1 3.73Å; L116-I119 HydrophobicContact CD2-CG1 3.94Å; L116-I119 HydrophobicContact CG-CD1 4.29Å; L116-I119 HydrophobicContact CG-CG1 4.09Å; I119-L121 HydrophobicContact CG2-CD1 3.53Å; I119-L121 HydrophobicContact CG2-CG 3.7Å; I119-L136 HydrophobicContact CD1-CD2 4.24Å; I119-L139 HydrophobicContact CD1-CD2 3.88Å; I119-L142 HydrophobicContact CB-CD1 4.3Å; I119-L142 HydrophobicContact CD1-CD1 3.67Å; I119-L142 HydrophobicContact CG1-CD1 3.72Å; I119-Q144 PolarHBondContact N-O 3.25Å; I119-L145 HydrophobicContact CB-CD1 4.07Å; I119-L145 HydrophobicContact CG2-CD1 4.14Å; I119-L145 WeakPolarHBondContact O-CA 3.48Å; I119-V146 PolarHBondContact O-N 3.45Å |
| 120 | I | 93.9 | Very high | 90.3 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.1 | 176.9 | -50.3 | 175.9 | 0 | 0 | 0 | 108.3 | L93 D94 V95 S96 T118 Q122 V146 | L93-I120 PolarHBondContact O-N 3.22Å; D94-I120 HydrophobicContact CB-CB 4.25Å; D94-I120 HydrophobicContact CB-CD1 4.28Å; V95-I120 CarbonylContact C-O 3.55Å; V95-I120 WeakPolarHBondContact CG2-O 3.33Å; V95-I120 PolarHBondContact N-O 3.44Å; S96-I120 PolarHBondContact N-O 2.92Å; T118-I120 HydrophobicContact CG2-CG1 4.13Å; I120-Q122 HydrophobicContact CG2-CG 4.28Å; I120-V146 HydrophobicContact CG1-CG2 4.36Å; I120-V146 HydrophobicContact CG2-CB 4.14Å |
| 121 | L | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -131.3 | 3.1 | -170.7 | -83.3 | 164.9 | 0 | 0 | 0 | 113.2 | I81 V95 I100 L103 I119 N124 I126 L145 V146 L147 N156 | I81-L121 HydrophobicContact CD1-CD2 4.46Å; V95-L121 HydrophobicContact CG2-CD2 3.43Å; V95-L121 VanDerWaalsContact CG2-CD2 3.43Å; V95-L121 HydrophobicContact CG2-CG 4.08Å; I100-L121 HydrophobicContact CD1-CD2 4.26Å; L103-L121 HydrophobicContact CD1-CD1 4.02Å; L103-L121 HydrophobicContact CD2-CD1 3.84Å; L103-L121 HydrophobicContact CD2-CD2 3.95Å; I119-L121 HydrophobicContact CG2-CD1 3.53Å; I119-L121 HydrophobicContact CG2-CG 3.7Å; L121-N124 WeakPolarHBondContact O-CB 3.33Å; L121-N124 PolarHBondContact O-N 3.45Å; L121-N124 PolarHBondContact O-ND2 2.96Å; L121-I126 HydrophobicContact CB-CD1 4.38Å; L121-I126 HydrophobicContact CD1-CD1 4.08Å; L121-I126 HydrophobicContact CD2-CD1 4.08Å; L121-I126 HydrophobicContact CG-CD1 4.42Å; L121-L145 HydrophobicContact CD1-CD1 4.03Å; L121-V146 CarbonylContact C-O 3.6Å; L121-V146 WeakPolarHBondContact CA-O 3.45Å; L121-V146 WeakPolarHBondContact CB-O 3.36Å; L121-V146 PolarHBondContact N-O 3.03Å; L121-L147 HydrophobicContact CB-CD2 3.95Å; L121-L147 HydrophobicContact CD1-CD2 4.25Å; L121-N156 PolarHBondContact O-ND2 2.92Å | ||
| 122 | Q | 92.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 147.5 | 177.2 | 69.9 | -154.8 | 18.4 | 0 | 0 | 112.5 | S96 F97 I120 N124 V146 L147 | S96-Q122 CarbonylContact C-O 3.34Å; S96-Q122 WeakPolarHBondContact CA-O 3.34Å; S96-Q122 VanDerWaalsContact CB-O 3.27Å; S96-Q122 WeakPolarHBondContact CB-O 3.28Å; F97-Q122 HydrophobicContact CE2-CG 4.26Å; F97-Q122 PolarHBondContact N-O 3Å; I120-Q122 HydrophobicContact CG2-CG 4.28Å; Q122-N124 PolarHBondContact O-N 3.42Å; Q122-V146 HydrophobicContact CB-CG1 4.45Å; Q122-V146 PolarHBondContact N-O 3.3Å; Q122-V146 VanDerWaalsContact N-O 3.14Å; Q122-L147 WeakPolarHBondContact CA-O 3.44Å |
| 123 | G | 92.2 | Very high | 92.3 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 30.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F97 N98 | F97-G123 WeakPolarHBondContact CA-O 3.48Å; N98-G123 PolarHBondContact N-O 2.88Å |
| 124 | N | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -110.2 | -178.2 | 170.9 | -79.8 | -81.9 | 0 | 0 | 0 | 111.2 | V95 N98 I100 L121 Q122 I126 N156 P157 | V95-N124 PolarHBondContact O-ND2 3.24Å; N98-N124 WeakPolarHBondContact CA-OD1 3.48Å; N98-N124 WeakPolarHBondContact CB-OD1 3.34Å; N98-N124 PolarHBondContact N-OD1 3.44Å; N98-N124 PolarHBondContact O-OD1 2.87Å; I100-N124 HydrophobicContact CB-CB 4.24Å; I100-N124 WeakPolarHBondContact CB-OD1 3.31Å; I100-N124 VanDerWaalsContact CG1-OD1 3.32Å; I100-N124 WeakPolarHBondContact CG1-OD1 3.35Å; I100-N124 PolarHBondContact N-OD1 3.3Å; L121-N124 WeakPolarHBondContact O-CB 3.33Å; L121-N124 PolarHBondContact O-N 3.45Å; L121-N124 PolarHBondContact O-ND2 2.96Å; Q122-N124 PolarHBondContact O-N 3.42Å; N124-I126 HydrophobicContact CB-CG1 4.48Å; N124-N156 WeakPolarHBondContact CA-OD1 3.29Å; N124-N156 WeakPolarHBondContact CB-OD1 3.43Å; N124-N156 PolarHBondContact O-OD1 3.27Å; N124-N156 VanDerWaalsContact O-OD1 3.09Å; N124-P157 WeakPolarHBondContact O-CD 3.35Å |
| 125 | Q | 93.4 | Very high | 92.7 | Very high | 104 Ų | 104 | 36 Ų | 36 | 49% | 0.486 | 20% | 0.196 | S | C | . | . | trans | -108.7 | 35.9 | -173.5 | -57.7 | -68.1 | 42 | 0 | 0 | 113.2 | I100 T101 Q127 | I100-Q125 CarbonylContact O-C 3.59Å; I100-Q125 VanDerWaalsContact O-C 3.29Å; I100-Q125 WeakPolarHBondContact O-CA 3.41Å; I100-Q125 PolarHBondContact O-N 3.46Å; T101-Q125 HydrophobicContact CG2-CB 3.94Å; Q125-Q127 PolarHBondContact O-N 3.48Å | ||
| 126 | I | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -78.5 | 123.1 | 179.8 | -55 | 165.1 | 0 | 0 | 0 | 110.1 | I100 L103 L121 N124 I132 L147 N156 P157 V158 | I100-I126 PolarHBondContact O-N 2.83Å; L103-I126 HydrophobicContact CD1-CD1 4.09Å; L103-I126 HydrophobicContact CD2-CD1 3.86Å; L103-I126 HydrophobicContact CG-CD1 4.07Å; L121-I126 HydrophobicContact CB-CD1 4.38Å; L121-I126 HydrophobicContact CD1-CD1 4.08Å; L121-I126 HydrophobicContact CD2-CD1 4.08Å; L121-I126 HydrophobicContact CG-CD1 4.42Å; N124-I126 HydrophobicContact CB-CG1 4.48Å; I126-I132 HydrophobicContact CG2-CD1 3.78Å; I126-I132 HydrophobicContact CG2-CG1 3.77Å; I126-L147 HydrophobicContact CD1-CD2 4.1Å; I126-N156 HydrophobicContact CB-CB 4.29Å; I126-N156 WeakPolarHBondContact CB-OD1 3.42Å; I126-N156 WeakPolarHBondContact CD1-OD1 3.32Å; I126-N156 WeakPolarHBondContact CG1-OD1 3.45Å; I126-N156 PolarHBondContact N-OD1 3.08Å; I126-N156 VanDerWaalsContact N-OD1 3.16Å; I126-P157 VanDerWaalsContact O-CD 3.32Å; I126-P157 WeakPolarHBondContact O-CD 3.43Å; I126-V158 WeakPolarHBondContact O-CB 3.33Å; I126-V158 PolarHBondContact O-N 2.89Å | ||
| 127 | Q | 91.6 | Very high | 92.8 | Very high | 140 Ų | 140 | 40 Ų | 40 | 65% | 0.654 | 21% | 0.207 | S | C | * | . | trans | -99.9 | -35.6 | -172 | -62.5 | -178.5 | 6.5 | 0 | 0 | 114.9 | Q125 P157 | Q125-Q127 PolarHBondContact O-N 3.48Å; Q127-P157 HydrophobicContact CG-CB 4.2Å; Q127-P157 HydrophobicContact CG-CG 4.44Å | ||
| 128 | S | 91 | Very high | 92.6 | Very high | 48 Ų | 48 | 42 Ų | 42 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | trans | -112.8 | 125 | -166 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | S130 H131 I132 | S128-S130 VanDerWaalsContact C-N 3.33Å; S128-S130 PolarHBondContact O-N 3.35Å; S128-S130 PolarHBondContact OG-N 2.91Å; S128-H131 WeakPolarHBondContact O-CB 3.14Å; S128-H131 PolarHBondContact O-N 2.82Å; S128-H131 PolarHBondContact OG-N 3.37Å; S128-I132 PolarHBondContact O-N 3.49Å | ||
| 129 | K | 92 | Very high | 92.6 | Very high | 44 Ų | 44 | 42 Ų | 42 | 19% | 0.191 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 171.5 | 64.2 | -169.5 | 169.6 | 177.4 | 0 | 113.1 | H131 I132 L133 V158 E161 P162 D167 | K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 2.92Å; K129-I132 PolarHBondContact O-N 3.32Å; K129-L133 WeakPolarHBondContact O-CG 3.35Å; K129-L133 PolarHBondContact O-N 2.88Å; K129-V158 HydrophobicContact CB-CG2 3.8Å; K129-V158 VanDerWaalsContact N-CG2 3.3Å; K129-E161 WeakPolarHBondContact CB-OE2 3.44Å; K129-E161 WeakPolarHBondContact CD-OE2 3.48Å; K129-E161 WeakPolarHBondContact CG-OE2 3.4Å; K129-E161 PolarHBondContact N-OE2 3.38Å; K129-P162 PolarHBondContact NZ-O 3.01Å; K129-D167 HydrophobicContact CD-CB 4.26Å; K129-D167 WeakPolarHBondContact CD-OD2 3.47Å; K129-D167 VanDerWaalsContact CE-OD2 3.28Å; K129-D167 WeakPolarHBondContact CE-OD2 3.39Å; K129-D167 IonicContact NZ-OD2 2.76Å; K129-D167 PolarHBondContact NZ-OD2 3.16Å |
| 130 | S | 92 | Very high | 92.3 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 56% | 0.559 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.9 | -37.7 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | S128 L133 E134 | S128-S130 VanDerWaalsContact C-N 3.33Å; S128-S130 PolarHBondContact O-N 3.35Å; S128-S130 PolarHBondContact OG-N 2.91Å; S130-L133 PolarHBondContact O-N 2.99Å; S130-E134 PolarHBondContact O-N 3.25Å |
| 131 | H | 92.5 | Very high | 92.1 | Very high | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.8 | -171.4 | 58.4 | 0 | 0 | 0 | 112.3 | S102 L103 S128 K129 E134 C135 | S102-H131 WeakPolarHBondContact CA-NE2 3.28Å; S102-H131 PolarHBondContact OG-CE1 3.48Å; S102-H131 PolarHBondContact OG-NE2 3.3Å; L103-H131 PolarHBondContact N-NE2 3.43Å; L103-H131 VanDerWaalsContact N-NE2 3.14Å; S128-H131 WeakPolarHBondContact O-CB 3.14Å; S128-H131 PolarHBondContact O-N 2.82Å; S128-H131 PolarHBondContact OG-N 3.37Å; K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 2.92Å; H131-E134 PolarHBondContact O-N 3.44Å; H131-C135 VanDerWaalsContact CE1-SG 3.58Å; H131-C135 WeakPolarHBondContact O-CB 3.4Å; H131-C135 PolarHBondContact O-N 3.49Å; H131-C135 PolarHBondContact O-SG 3.19Å |
| 132 | I | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 176.5 | -61.9 | 177.7 | 0 | 0 | 0 | 110 | L103 I126 S128 K129 E134 C135 L136 L145 L147 V158 L168 | L103-I132 HydrophobicContact CD1-CG1 4.06Å; L103-I132 HydrophobicContact CD1-CG2 4.5Å; I126-I132 HydrophobicContact CG2-CD1 3.78Å; I126-I132 HydrophobicContact CG2-CG1 3.77Å; S128-I132 PolarHBondContact O-N 3.49Å; K129-I132 PolarHBondContact O-N 3.32Å; I132-E134 PolarHBondContact O-N 2.99Å; I132-C135 PolarHBondContact O-N 2.93Å; I132-L136 HydrophobicContact CG2-CD1 3.57Å; I132-L136 HydrophobicContact CG2-CG 4.15Å; I132-L136 VanDerWaalsContact O-CB 3.32Å; I132-L136 WeakPolarHBondContact O-CB 3.34Å; I132-L136 WeakPolarHBondContact O-CG 3.3Å; I132-L136 PolarHBondContact O-N 3.27Å; I132-L145 HydrophobicContact CG2-CD2 4.25Å; I132-L147 HydrophobicContact CD1-CD1 3.72Å; I132-L147 HydrophobicContact CD1-CD2 4.01Å; I132-V158 HydrophobicContact CD1-CB 4.4Å; I132-V158 HydrophobicContact CD1-CG1 3.87Å; I132-V158 HydrophobicContact CD1-CG2 4.09Å; I132-L168 HydrophobicContact CB-CD2 3.97Å; I132-L168 HydrophobicContact CG2-CD2 3.71Å |
| 133 | L | 93.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 177.2 | -68.7 | -179.6 | 0 | 0 | 0 | 111.7 | K129 S130 C135 K137 L168 L172 | K129-L133 WeakPolarHBondContact O-CG 3.35Å; K129-L133 PolarHBondContact O-N 2.88Å; S130-L133 PolarHBondContact O-N 2.99Å; L133-C135 PolarHBondContact O-N 3.27Å; L133-K137 WeakPolarHBondContact O-CB 3.37Å; L133-K137 PolarHBondContact O-N 3.44Å; L133-L168 HydrophobicContact CD2-CD2 3.74Å; L133-L168 HydrophobicContact CG-CD2 3.95Å; L133-L172 HydrophobicContact CD2-CD1 4.29Å; L133-L172 HydrophobicContact CD2-CD2 4.19Å; L133-L172 HydrophobicContact CD2-CG 3.73Å |
| 134 | E | 92 | Very high | 91.9 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -40.9 | -179.9 | -164.3 | -164.7 | 147.4 | 0 | 0 | 112.4 | K107 S130 H131 I132 | K107-E134 IonicContact NZ-OE1 3.31Å; K107-E134 PolarHBondContact NZ-OE1 3.01Å; S130-E134 PolarHBondContact O-N 3.25Å; H131-E134 PolarHBondContact O-N 3.44Å; I132-E134 PolarHBondContact O-N 2.99Å |
| 135 | C | 91.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.9 | -36.4 | -176.4 | -65 | 0 | 0 | 0 | 0 | 112.8 | L103 H131 I132 L133 | L103-C135 VanDerWaalsContact C-SG 3.59Å; L103-C135 HydrophobicContact CB-CB 3.75Å; H131-C135 VanDerWaalsContact CE1-SG 3.58Å; H131-C135 WeakPolarHBondContact O-CB 3.4Å; H131-C135 PolarHBondContact O-N 3.49Å; H131-C135 PolarHBondContact O-SG 3.19Å; I132-C135 PolarHBondContact O-N 2.93Å; L133-C135 PolarHBondContact O-N 3.27Å |
| 136 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -98.2 | -14.6 | -172 | -56.8 | -173.3 | 0 | 0 | 0 | 114.3 | L103 L106 I119 I132 N138 L139 L142 L145 L172 Q174 | L103-L136 HydrophobicContact CD1-CD1 4.4Å; L103-L136 HydrophobicContact CD1-CD2 4.41Å; L103-L136 HydrophobicContact CD1-CG 4.41Å; L106-L136 HydrophobicContact CB-CD2 4.17Å; L106-L136 HydrophobicContact CD1-CD2 3.71Å; I119-L136 HydrophobicContact CD1-CD2 4.24Å; I132-L136 HydrophobicContact CG2-CD1 3.57Å; I132-L136 HydrophobicContact CG2-CG 4.15Å; I132-L136 VanDerWaalsContact O-CB 3.32Å; I132-L136 WeakPolarHBondContact O-CB 3.34Å; I132-L136 WeakPolarHBondContact O-CG 3.3Å; I132-L136 PolarHBondContact O-N 3.27Å; L136-N138 PolarHBondContact O-N 2.99Å; L136-N138 VanDerWaalsContact O-N 3.07Å; L136-L139 HydrophobicContact CD2-CD2 4.01Å; L136-L139 PolarHBondContact O-N 3.46Å; L136-L142 HydrophobicContact CB-CD2 4.16Å; L136-L142 HydrophobicContact CD1-CD2 4.11Å; L136-L145 HydrophobicContact CD1-CD1 4.04Å; L136-L145 HydrophobicContact CD1-CD2 3.77Å; L136-L172 HydrophobicContact CB-CD1 4.03Å; L136-L172 HydrophobicContact CB-CD2 4.05Å; L136-L172 HydrophobicContact CD1-CD1 4.33Å; L136-Q174 PolarHBondContact O-NE2 2.84Å |
| 137 | K | 89.8 | Confident | 91.8 | Very high | 138 Ų | 138 | 44.4 Ų | 44.4 | 60% | 0.6 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34 | -176.6 | 175.7 | 175.3 | -178.9 | 179 | 0 | 114.2 | L133 L172 Q174 | L133-K137 WeakPolarHBondContact O-CB 3.37Å; L133-K137 PolarHBondContact O-N 3.44Å; K137-L172 HydrophobicContact CB-CD2 4.23Å; K137-Q174 PolarHBondContact O-NE2 3.08Å; K137-Q174 VanDerWaalsContact O-NE2 3.12Å |
| 138 | N | 88.2 | Confident | 91.8 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -2.2 | -176.1 | -63.8 | -29.6 | 0 | 0 | 0 | 114.4 | F110 L136 V140 | F110-N138 HydrophobicContact CB-CB 3.8Å; L136-N138 PolarHBondContact O-N 2.99Å; L136-N138 VanDerWaalsContact O-N 3.07Å; N138-V140 PolarHBondContact O-N 2.99Å; N138-V140 VanDerWaalsContact O-N 3.1Å |
| 139 | L | 91.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | trans | -82.3 | 86.9 | 176 | -79.4 | 60 | 0 | 0 | 0 | 109 | L106 L116 I119 L136 N141 L142 Q174 | L106-L139 WeakPolarHBondContact O-CD1 3.47Å; L116-L139 HydrophobicContact CD2-CD2 4.01Å; I119-L139 HydrophobicContact CD1-CD2 3.88Å; L136-L139 HydrophobicContact CD2-CD2 4.01Å; L136-L139 PolarHBondContact O-N 3.46Å; L139-N141 PolarHBondContact O-N 3.29Å; L139-L142 HydrophobicContact CB-CB 3.92Å; L139-L142 WeakPolarHBondContact O-CB 3.3Å; L139-L142 PolarHBondContact O-N 3.28Å; L139-Q174 WeakPolarHBondContact O-CG 3.42Å; L139-Q174 PolarHBondContact O-NE2 3.46Å | ||
| 140 | V | 87.8 | Confident | 90.7 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 44% | 0.442 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.4 | -172.4 | -63.3 | 0 | 0 | 0 | 0 | 114.3 | N138 R143 | N138-V140 PolarHBondContact O-N 2.99Å; N138-V140 VanDerWaalsContact O-N 3.1Å; V140-R143 PolarHBondContact O-NH1 3.45Å |
| 141 | N | 90 | Very high | 89.8 | Confident | 48 Ų | 48 | 43.7 Ų | 43.7 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.7 | -178.6 | -71.2 | -35 | 0 | 0 | 0 | 113.7 | Y114 L116 T117 L139 R143 | Y114-N141 PolarHBondContact O-ND2 3.01Å; L116-N141 CarbonylContact O-C 3.46Å; T117-N141 VanDerWaalsContact CA-O 3.32Å; T117-N141 WeakPolarHBondContact CA-O 3.47Å; T117-N141 PolarHBondContact OG1-O 2.99Å; L139-N141 PolarHBondContact O-N 3.29Å; N141-R143 VanDerWaalsContact C-NH1 3.27Å; N141-R143 PolarHBondContact O-N 2.97Å; N141-R143 PolarHBondContact O-NH1 2.87Å |
| 142 | L | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -65.9 | 120.8 | 177 | -174.6 | 66.9 | 0 | 0 | 0 | 109.4 | L116 I119 L136 L139 Q174 L175 | L116-L142 WeakPolarHBondContact O-CA 3.36Å; L116-L142 PolarHBondContact O-N 3.45Å; L116-L142 VanDerWaalsContact O-N 3.15Å; I119-L142 HydrophobicContact CB-CD1 4.3Å; I119-L142 HydrophobicContact CD1-CD1 3.67Å; I119-L142 HydrophobicContact CG1-CD1 3.72Å; L136-L142 HydrophobicContact CB-CD2 4.16Å; L136-L142 HydrophobicContact CD1-CD2 4.11Å; L139-L142 HydrophobicContact CB-CB 3.92Å; L139-L142 WeakPolarHBondContact O-CB 3.3Å; L139-L142 PolarHBondContact O-N 3.28Å; L142-Q174 HydrophobicContact CB-CG 4.34Å; L142-Q174 CarbonylContact O-C 3.58Å; L142-Q174 WeakPolarHBondContact O-CG 3.37Å; L142-L175 HydrophobicContact CD2-CD1 4.37Å; L142-L175 HydrophobicContact CG-CD1 4.15Å | ||
| 143 | R | 91.3 | Very high | 88.2 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | trans | -116 | -28.5 | 176.9 | -59.1 | -63.6 | 179.5 | -91.5 | -8.6 | 111.9 | T117 V140 N141 L175 E176 I177 | T117-R143 HydrophobicContact CG2-CB 3.76Å; T117-R143 HydrophobicContact CG2-CG 3.7Å; T117-R143 PolarHBondContact O-N 2.93Å; V140-R143 PolarHBondContact O-NH1 3.45Å; N141-R143 VanDerWaalsContact C-NH1 3.27Å; N141-R143 PolarHBondContact O-N 2.97Å; N141-R143 PolarHBondContact O-NH1 2.87Å; R143-L175 WeakPolarHBondContact O-CD1 3.47Å; R143-E176 HydrophobicContact CB-CG 4.49Å; R143-E176 WeakPolarHBondContact CD-OE1 3.25Å; R143-E176 IonicContact NE-OE1 2.79Å; R143-E176 WeakPolarHBondContact O-CA 3.42Å; R143-E176 PolarHBondContact O-N 3.25Å; R143-I177 PolarHBondContact O-N 3.35Å | ||
| 144 | Q | 92.2 | Very high | 87.7 | Confident | 15 Ų | 15 | 46 Ų | 46 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.5 | -173.6 | -175.6 | 171.1 | 21.8 | 0 | 0 | 112.6 | T117 T118 I119 V146 I177 | T117-Q144 PolarHBondContact O-N 3.46Å; T118-Q144 WeakPolarHBondContact CA-O 3.38Å; T118-Q144 HydrophobicContact CG2-CB 4.08Å; T118-Q144 HydrophobicContact CG2-CG 4.02Å; T118-Q144 PolarHBondContact OG1-OE1 2.97Å; I119-Q144 PolarHBondContact N-O 3.25Å; Q144-V146 HydrophobicContact CG-CG2 4.49Å; Q144-I177 WeakPolarHBondContact CA-O 3.46Å; Q144-I177 HydrophobicContact CB-CB 4.36Å; Q144-I177 HydrophobicContact CG-CB 4.06Å; Q144-I177 HydrophobicContact CG-CG2 4.16Å |
| 145 | L | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.5 | 178.6 | -179.9 | 63.6 | 0 | 0 | 0 | 109 | I119 L121 I132 L136 L147 L175 I177 L178 D179 | I119-L145 HydrophobicContact CB-CD1 4.07Å; I119-L145 HydrophobicContact CG2-CD1 4.14Å; I119-L145 WeakPolarHBondContact O-CA 3.48Å; L121-L145 HydrophobicContact CD1-CD1 4.03Å; I132-L145 HydrophobicContact CG2-CD2 4.25Å; L136-L145 HydrophobicContact CD1-CD1 4.04Å; L136-L145 HydrophobicContact CD1-CD2 3.77Å; L145-L147 HydrophobicContact CD1-CG 4.45Å; L145-L147 HydrophobicContact CD2-CD1 3.98Å; L145-L147 HydrophobicContact CD2-CG 4.29Å; L145-L147 HydrophobicContact CG-CD1 4.33Å; L145-L147 HydrophobicContact CG-CG 4.12Å; L145-L175 HydrophobicContact CB-CD1 3.55Å; L145-L175 HydrophobicContact CB-CD2 4.02Å; L145-L175 HydrophobicContact CB-CG 4.44Å; L145-L175 HydrophobicContact CD2-CD2 4.3Å; L145-I177 PolarHBondContact N-O 3.4Å; L145-L178 HydrophobicContact CB-CD1 4.21Å; L145-L178 HydrophobicContact CD2-CD1 4.2Å; L145-L178 HydrophobicContact CG-CD1 4.17Å; L145-L178 CarbonylContact O-C 3.5Å; L145-L178 VanDerWaalsContact O-CA 3.28Å; L145-L178 WeakPolarHBondContact O-CA 3.36Å; L145-L178 WeakPolarHBondContact O-CD1 3.49Å; L145-D179 PolarHBondContact O-N 3.35Å |
| 146 | V | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 109.7 | 177.1 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | I119 I120 L121 Q122 Q144 I190 | I119-V146 PolarHBondContact O-N 3.45Å; I120-V146 HydrophobicContact CG1-CG2 4.36Å; I120-V146 HydrophobicContact CG2-CB 4.14Å; L121-V146 CarbonylContact C-O 3.6Å; L121-V146 WeakPolarHBondContact CA-O 3.45Å; L121-V146 WeakPolarHBondContact CB-O 3.36Å; L121-V146 PolarHBondContact N-O 3.03Å; Q122-V146 HydrophobicContact CB-CG1 4.45Å; Q122-V146 PolarHBondContact N-O 3.3Å; Q122-V146 VanDerWaalsContact N-O 3.14Å; Q144-V146 HydrophobicContact CG-CG2 4.49Å; V146-I190 HydrophobicContact CG2-CD1 3.65Å |
| 147 | L | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -108.1 | -25.2 | 176.6 | -68.5 | 165.3 | 0 | 0 | 0 | 111.8 | L121 Q122 I126 I132 L145 N156 V158 L168 L178 D179 | L121-L147 HydrophobicContact CB-CD2 3.95Å; L121-L147 HydrophobicContact CD1-CD2 4.25Å; Q122-L147 WeakPolarHBondContact CA-O 3.44Å; I126-L147 HydrophobicContact CD1-CD2 4.1Å; I132-L147 HydrophobicContact CD1-CD1 3.72Å; I132-L147 HydrophobicContact CD1-CD2 4.01Å; L145-L147 HydrophobicContact CD1-CG 4.45Å; L145-L147 HydrophobicContact CD2-CD1 3.98Å; L145-L147 HydrophobicContact CD2-CG 4.29Å; L145-L147 HydrophobicContact CG-CD1 4.33Å; L145-L147 HydrophobicContact CG-CG 4.12Å; L147-N156 PolarHBondContact O-N 3.49Å; L147-N156 PolarHBondContact O-ND2 3.38Å; L147-V158 HydrophobicContact CD1-CG1 4.45Å; L147-L168 HydrophobicContact CD1-CD1 3.49Å; L147-L168 VanDerWaalsContact CD1-CD1 3.49Å; L147-L178 HydrophobicContact CD1-CD1 4.3Å; L147-D179 WeakPolarHBondContact CA-OD1 3.37Å; L147-D179 PolarHBondContact N-OD1 2.95Å |
| 148 | L | 90.2 | Very high | 87.6 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 20% | 0.199 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -130.9 | 133.9 | 178.8 | 166.8 | 69.8 | 0 | 0 | 0 | 109.3 | D154 S155 C159 D179 | L148-D154 WeakPolarHBondContact CA-O 3.49Å; L148-S155 VanDerWaalsContact CD1-CB 3.48Å; L148-C159 HydrophobicContact CB-CB 4.39Å; L148-D179 HydrophobicContact CB-CB 4.34Å; L148-D179 PolarHBondContact N-OD1 2.87Å; L148-D179 WeakPolarHBondContact O-CB 3.48Å |
| 149 | N | 84.6 | Confident | 87.6 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | trans | -101.3 | 110.1 | 161.7 | -174.2 | -15.1 | 0 | 0 | 0 | 109.7 | Q151 T152 G153 D154 | N149-Q151 PolarHBondContact O-N 3.28Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.31Å; N149-Q151 PolarHBondContact OD1-N 2.96Å; N149-T152 WeakPolarHBondContact CB-OG1 3.49Å; N149-T152 PolarHBondContact ND2-OG1 3.37Å; N149-G153 WeakPolarHBondContact O-CA 3.4Å; N149-G153 PolarHBondContact O-N 3.2Å; N149-D154 PolarHBondContact N-O 2.83Å | ||
| 150 | P | 75.6 | Confident | 87.5 | Confident | 84 Ų | 84 | 41 Ų | 41 | 55% | 0.545 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.6 | -178.5 | -20.5 | 31.7 | 0 | 0 | 0 | 114.1 | ||
| 151 | Q | 72.9 | Confident | 87.6 | Confident | 164 Ų | 164 | 40.7 Ų | 40.7 | 77% | 0.766 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -40.2 | -175.8 | -63.3 | -173.9 | -8.8 | 0 | 0 | 111.9 | N149 | N149-Q151 PolarHBondContact O-N 3.28Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.31Å; N149-Q151 PolarHBondContact OD1-N 2.96Å |
| 152 | T | 74.1 | Confident | 87.4 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -19.9 | -179.8 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | N149 D154 | N149-T152 WeakPolarHBondContact CB-OG1 3.49Å; N149-T152 PolarHBondContact ND2-OG1 3.37Å; T152-D154 WeakPolarHBondContact CB-OD2 3.42Å; T152-D154 VanDerWaalsContact OG1-CG 3.32Å; T152-D154 PolarHBondContact OG1-N 2.8Å; T152-D154 PolarHBondContact OG1-OD2 3.5Å |
| 153 | G | 79.2 | Confident | 87.1 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | trans | 81.9 | 0.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N149 S155 | N149-G153 WeakPolarHBondContact O-CA 3.4Å; N149-G153 PolarHBondContact O-N 3.2Å; G153-S155 PolarHBondContact O-N 3.29Å | ||
| 154 | D | 83.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | trans | -69.6 | 113.8 | -179.5 | -61.5 | -55.7 | 0 | 0 | 0 | 110.5 | F97 L148 N149 T152 | F97-D154 HydrophobicContact CE1-CB 3.8Å; F97-D154 WeakPolarHBondContact CE1-OD2 3.4Å; F97-D154 HydrophobicContact CZ-CB 3.96Å; F97-D154 WeakPolarHBondContact CZ-OD2 3.38Å; L148-D154 WeakPolarHBondContact CA-O 3.49Å; N149-D154 PolarHBondContact N-O 2.83Å; T152-D154 WeakPolarHBondContact CB-OD2 3.42Å; T152-D154 VanDerWaalsContact OG1-CG 3.32Å; T152-D154 PolarHBondContact OG1-N 2.8Å; T152-D154 PolarHBondContact OG1-OD2 3.5Å | ||
| 155 | S | 89.2 | Confident | 87.1 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -133.9 | 159.9 | -170.4 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | L148 G153 | L148-S155 VanDerWaalsContact CD1-CB 3.48Å; G153-S155 PolarHBondContact O-N 3.29Å |
| 156 | N | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -90 | 151.6 | 164.3 | -78.3 | -101.5 | 0 | 0 | 0 | 109.4 | L121 N124 I126 L147 V158 C159 | L121-N156 PolarHBondContact O-ND2 2.92Å; N124-N156 WeakPolarHBondContact CA-OD1 3.29Å; N124-N156 WeakPolarHBondContact CB-OD1 3.43Å; N124-N156 PolarHBondContact O-OD1 3.27Å; N124-N156 VanDerWaalsContact O-OD1 3.09Å; I126-N156 HydrophobicContact CB-CB 4.29Å; I126-N156 WeakPolarHBondContact CB-OD1 3.42Å; I126-N156 WeakPolarHBondContact CD1-OD1 3.32Å; I126-N156 WeakPolarHBondContact CG1-OD1 3.45Å; I126-N156 PolarHBondContact N-OD1 3.08Å; I126-N156 VanDerWaalsContact N-OD1 3.16Å; L147-N156 PolarHBondContact O-N 3.49Å; L147-N156 PolarHBondContact O-ND2 3.38Å; N156-V158 HydrophobicContact CB-CG1 3.75Å; N156-V158 PolarHBondContact O-N 3.16Å; N156-C159 VanDerWaalsContact O-CB 3.27Å; N156-C159 WeakPolarHBondContact O-CB 3.44Å; N156-C159 PolarHBondContact O-N 2.93Å | ||
| 157 | P | 90.7 | Very high | 86.9 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -51.4 | -31.4 | 175.1 | -28 | 33.1 | 0 | 0 | 0 | 114.7 | N124 I126 Q127 C159 C160 | N124-P157 WeakPolarHBondContact O-CD 3.35Å; I126-P157 VanDerWaalsContact O-CD 3.32Å; I126-P157 WeakPolarHBondContact O-CD 3.43Å; Q127-P157 HydrophobicContact CG-CB 4.2Å; Q127-P157 HydrophobicContact CG-CG 4.44Å; P157-C159 PolarHBondContact O-N 3.5Å; P157-C160 WeakPolarHBondContact O-CB 3.45Å; P157-C160 PolarHBondContact O-N 2.97Å |
| 158 | V | 91.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60 | -28.5 | 174.3 | 69.8 | 0 | 0 | 0 | 0 | 114 | I126 K129 I132 L147 N156 C160 E161 | I126-V158 WeakPolarHBondContact O-CB 3.33Å; I126-V158 PolarHBondContact O-N 2.89Å; K129-V158 HydrophobicContact CB-CG2 3.8Å; K129-V158 VanDerWaalsContact N-CG2 3.3Å; I132-V158 HydrophobicContact CD1-CB 4.4Å; I132-V158 HydrophobicContact CD1-CG1 3.87Å; I132-V158 HydrophobicContact CD1-CG2 4.09Å; L147-V158 HydrophobicContact CD1-CG1 4.45Å; N156-V158 HydrophobicContact CB-CG1 3.75Å; N156-V158 PolarHBondContact O-N 3.16Å; V158-C160 PolarHBondContact O-N 3.13Å; V158-E161 WeakPolarHBondContact O-CB 3.48Å; V158-E161 PolarHBondContact O-N 3.34Å |
| 159 | C | 89.3 | Confident | 87 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 12% | 0.122 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -69.1 | -17.1 | -179.5 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | L148 N156 P157 E161 Y164 | L148-C159 HydrophobicContact CB-CB 4.39Å; N156-C159 VanDerWaalsContact O-CB 3.27Å; N156-C159 WeakPolarHBondContact O-CB 3.44Å; N156-C159 PolarHBondContact O-N 2.93Å; P157-C159 PolarHBondContact O-N 3.5Å; C159-E161 VanDerWaalsContact C-N 3.32Å; C159-Y164 HydrophobicContact CB-CE1 4.43Å; C159-Y164 WeakPolarHBondContact O-CD1 3.38Å |
| 160 | C | 88.3 | Confident | 87.3 | Confident | 107 Ų | 107 | 61.5 Ų | 61.5 | 72% | 0.723 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -80.5 | -11.2 | 172.1 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | P157 V158 | P157-C160 WeakPolarHBondContact O-CB 3.45Å; P157-C160 PolarHBondContact O-N 2.97Å; V158-C160 PolarHBondContact O-N 3.13Å |
| 161 | E | 89.4 | Confident | 88 | Confident | 66 Ų | 66 | 58.8 Ų | 58.8 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -70.5 | 137.8 | 175.9 | -65.2 | -162.8 | 111.9 | 0 | 0 | 110.5 | K129 V158 C159 Y164 | K129-E161 WeakPolarHBondContact CB-OE2 3.44Å; K129-E161 WeakPolarHBondContact CD-OE2 3.48Å; K129-E161 WeakPolarHBondContact CG-OE2 3.4Å; K129-E161 PolarHBondContact N-OE2 3.38Å; V158-E161 WeakPolarHBondContact O-CB 3.48Å; V158-E161 PolarHBondContact O-N 3.34Å; C159-E161 VanDerWaalsContact C-N 3.32Å; E161-Y164 WeakPolarHBondContact O-CB 3.36Å; E161-Y164 PolarHBondContact O-N 2.92Å |
| 162 | P | 85.8 | Confident | 89 | Confident | 98 Ų | 98 | 51 Ų | 51 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 142.2 | 174.1 | 25.4 | -32.1 | 0 | 0 | 0 | 110.1 | K129 Y164 | K129-P162 PolarHBondContact NZ-O 3.01Å; P162-Y164 PolarHBondContact O-N 2.88Å |
| 163 | D | 88.1 | Confident | 89.7 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 16.6 | 179.2 | -56 | -48.4 | 0 | 0 | 0 | 115 | R165 L166 D167 | D163-R165 PolarHBondContact O-N 2.71Å; D163-R165 VanDerWaalsContact O-N 3.09Å; D163-L166 HydrophobicContact CB-CB 4.33Å; D163-L166 PolarHBondContact O-N 3.04Å; D163-D167 PolarHBondContact O-N 3.45Å |
| 164 | Y | 92.6 | Very high | 90.2 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -50.8 | -43.5 | -178.4 | 87.6 | -88.1 | 0 | 0 | 0 | 111.6 | C159 E161 P162 D167 L168 L178 D179 | C159-Y164 HydrophobicContact CB-CE1 4.43Å; C159-Y164 WeakPolarHBondContact O-CD1 3.38Å; E161-Y164 WeakPolarHBondContact O-CB 3.36Å; E161-Y164 PolarHBondContact O-N 2.92Å; P162-Y164 PolarHBondContact O-N 2.88Å; Y164-D167 PolarHBondContact O-N 2.95Å; Y164-L168 HydrophobicContact CD2-CD1 4.05Å; Y164-L168 WeakPolarHBondContact O-CB 3.5Å; Y164-L168 VanDerWaalsContact O-CG 3.23Å; Y164-L168 WeakPolarHBondContact O-CG 3.5Å; Y164-L168 PolarHBondContact O-N 2.84Å; Y164-L178 HydrophobicContact CE2-CD2 4.44Å; Y164-D179 VanDerWaalsContact CE2-OD2 3.29Å; Y164-D179 WeakPolarHBondContact CE2-OD2 3.39Å; Y164-D179 PolarHBondContact OH-OD2 3.32Å |
| 165 | R | 90.1 | Very high | 90.7 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | -178.6 | -168 | -169.2 | 165.6 | 70.4 | 9 | 111.4 | D163 L169 L178 V181 D182 | D163-R165 PolarHBondContact O-N 2.71Å; D163-R165 VanDerWaalsContact O-N 3.09Å; R165-L169 HydrophobicContact CG-CD1 4.07Å; R165-L169 WeakPolarHBondContact O-CB 3.48Å; R165-L169 VanDerWaalsContact O-CG 3.27Å; R165-L169 WeakPolarHBondContact O-CG 3.33Å; R165-L169 PolarHBondContact O-N 3.35Å; R165-L178 HydrophobicContact CB-CD2 4.29Å; R165-L178 HydrophobicContact CG-CD2 3.66Å; R165-L178 HydrophobicContact CG-CG 4.35Å; R165-L178 PolarHBondContact NH1-O 2.94Å; R165-V181 VanDerWaalsContact NH2-C 3.31Å; R165-V181 VanDerWaalsContact NH2-CB 3.33Å; R165-V181 VanDerWaalsContact NH2-CG1 3.34Å; R165-V181 PolarHBondContact NH2-O 3.26Å; R165-D182 PolarHBondContact NH2-O 2.88Å |
| 166 | L | 90.5 | Very high | 90.8 | Very high | 107 Ų | 107 | 53.8 Ų | 53.8 | 56% | 0.56 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.6 | -46.9 | -179.9 | -175.7 | 65.4 | 0 | 0 | 0 | 110.4 | D163 L168 L169 Q170 | D163-L166 HydrophobicContact CB-CB 4.33Å; D163-L166 PolarHBondContact O-N 3.04Å; L166-L168 PolarHBondContact O-N 3.27Å; L166-L169 PolarHBondContact O-N 2.83Å; L166-Q170 VanDerWaalsContact O-CB 3.3Å; L166-Q170 WeakPolarHBondContact O-CB 3.43Å; L166-Q170 PolarHBondContact O-N 2.89Å |
| 167 | D | 92.3 | Very high | 90.7 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 179.6 | -72.6 | -19.4 | 0 | 0 | 0 | 112.2 | K129 D163 Y164 G171 | K129-D167 HydrophobicContact CD-CB 4.26Å; K129-D167 WeakPolarHBondContact CD-OD2 3.47Å; K129-D167 VanDerWaalsContact CE-OD2 3.28Å; K129-D167 WeakPolarHBondContact CE-OD2 3.39Å; K129-D167 IonicContact NZ-OD2 2.76Å; K129-D167 PolarHBondContact NZ-OD2 3.16Å; D163-D167 PolarHBondContact O-N 3.45Å; Y164-D167 PolarHBondContact O-N 2.95Å; D167-G171 PolarHBondContact O-N 2.8Å |
| 168 | L | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 177 | -70.4 | -177.5 | 0 | 0 | 0 | 112 | I132 L133 L147 Y164 L166 Q170 G171 L172 L178 | I132-L168 HydrophobicContact CB-CD2 3.97Å; I132-L168 HydrophobicContact CG2-CD2 3.71Å; L133-L168 HydrophobicContact CD2-CD2 3.74Å; L133-L168 HydrophobicContact CG-CD2 3.95Å; L147-L168 HydrophobicContact CD1-CD1 3.49Å; L147-L168 VanDerWaalsContact CD1-CD1 3.49Å; Y164-L168 HydrophobicContact CD2-CD1 4.05Å; Y164-L168 WeakPolarHBondContact O-CB 3.5Å; Y164-L168 VanDerWaalsContact O-CG 3.23Å; Y164-L168 WeakPolarHBondContact O-CG 3.5Å; Y164-L168 PolarHBondContact O-N 2.84Å; L166-L168 PolarHBondContact O-N 3.27Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.41Å; L168-G171 PolarHBondContact O-N 3.4Å; L168-L172 VanDerWaalsContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CB 3.45Å; L168-L172 PolarHBondContact O-N 2.99Å; L168-L178 HydrophobicContact CB-CD2 3.96Å; L168-L178 HydrophobicContact CD1-CD2 4.22Å |
| 169 | L | 92.5 | Very high | 90.8 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.5 | -31 | 178.9 | -72.3 | 172.7 | 0 | 0 | 0 | 113 | R165 L166 L175 L178 R183 | R165-L169 HydrophobicContact CG-CD1 4.07Å; R165-L169 WeakPolarHBondContact O-CB 3.48Å; R165-L169 VanDerWaalsContact O-CG 3.27Å; R165-L169 WeakPolarHBondContact O-CG 3.33Å; R165-L169 PolarHBondContact O-N 3.35Å; L166-L169 PolarHBondContact O-N 2.83Å; L169-L175 HydrophobicContact CD2-CD2 4.18Å; L169-L175 HydrophobicContact CD2-CG 4.48Å; L169-L178 HydrophobicContact CD2-CB 4.09Å; L169-L178 HydrophobicContact CD2-CD2 4.48Å; L169-L178 HydrophobicContact CG-CD2 4.13Å; L169-R183 HydrophobicContact CD2-CG 4.21Å; L169-R183 PolarHBondContact O-NH1 3.37Å; L169-R183 PolarHBondContact O-NH2 3Å; L169-R183 VanDerWaalsContact O-NH2 3.13Å |
| 170 | Q | 91 | Very high | 90.6 | Very high | 151 Ų | 151 | 53.8 Ų | 53.8 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -75.8 | -42.6 | 174 | -172.8 | 177.2 | 7.4 | 0 | 0 | 111.8 | L166 L168 | L166-Q170 VanDerWaalsContact O-CB 3.3Å; L166-Q170 WeakPolarHBondContact O-CB 3.43Å; L166-Q170 PolarHBondContact O-N 2.89Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.41Å |
| 171 | G | 90.7 | Very high | 90.6 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -77.2 | -23.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D167 L168 P173 | D167-G171 PolarHBondContact O-N 2.8Å; L168-G171 PolarHBondContact O-N 3.4Å; G171-P173 WeakPolarHBondContact O-CD 3.29Å |
| 172 | L | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -117.7 | 78.2 | 176.3 | -57.1 | 173.9 | 0 | 0 | 0 | 110 | L133 L136 K137 L168 Q174 L175 R183 | L133-L172 HydrophobicContact CD2-CD1 4.29Å; L133-L172 HydrophobicContact CD2-CD2 4.19Å; L133-L172 HydrophobicContact CD2-CG 3.73Å; L136-L172 HydrophobicContact CB-CD1 4.03Å; L136-L172 HydrophobicContact CB-CD2 4.05Å; L136-L172 HydrophobicContact CD1-CD1 4.33Å; K137-L172 HydrophobicContact CB-CD2 4.23Å; L168-L172 VanDerWaalsContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CB 3.45Å; L168-L172 PolarHBondContact O-N 2.99Å; L172-Q174 PolarHBondContact O-N 3.19Å; L172-Q174 VanDerWaalsContact O-N 3.17Å; L172-L175 HydrophobicContact CB-CB 4.03Å; L172-L175 HydrophobicContact CD1-CD2 4.49Å; L172-L175 VanDerWaalsContact O-CB 3.31Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 2.93Å; L172-R183 PolarHBondContact O-NH2 3Å | ||
| 173 | P | 90.2 | Very high | 90.4 | Very high | 95 Ų | 95 | 49 Ų | 49 | 62% | 0.617 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.2 | -178.3 | 25.9 | -35.5 | 0 | 0 | 0 | 113.8 | G171 L175 R183 | G171-P173 WeakPolarHBondContact O-CD 3.29Å; P173-L175 VanDerWaalsContact C-N 3.28Å; P173-L175 PolarHBondContact O-N 3.43Å; P173-R183 VanDerWaalsContact C-NH2 3.3Å; P173-R183 VanDerWaalsContact CA-NH2 3.32Å; P173-R183 PolarHBondContact O-NH2 3.34Å |
| 174 | Q | 90.2 | Very high | 90.2 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.1 | 175.8 | 67.9 | -90.9 | 38.6 | 0 | 0 | 113.8 | L136 K137 L139 L142 L172 E176 | L136-Q174 PolarHBondContact O-NE2 2.84Å; K137-Q174 PolarHBondContact O-NE2 3.08Å; K137-Q174 VanDerWaalsContact O-NE2 3.12Å; L139-Q174 WeakPolarHBondContact O-CG 3.42Å; L139-Q174 PolarHBondContact O-NE2 3.46Å; L142-Q174 HydrophobicContact CB-CG 4.34Å; L142-Q174 CarbonylContact O-C 3.58Å; L142-Q174 WeakPolarHBondContact O-CG 3.37Å; L172-Q174 PolarHBondContact O-N 3.19Å; L172-Q174 VanDerWaalsContact O-N 3.17Å; Q174-E176 PolarHBondContact O-N 2.92Å |
| 175 | L | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -77 | 122.4 | -175 | -169.6 | 69.7 | 0 | 0 | 0 | 110.2 | L142 R143 L145 L169 L172 P173 L178 R183 | L142-L175 HydrophobicContact CD2-CD1 4.37Å; L142-L175 HydrophobicContact CG-CD1 4.15Å; R143-L175 WeakPolarHBondContact O-CD1 3.47Å; L145-L175 HydrophobicContact CB-CD1 3.55Å; L145-L175 HydrophobicContact CB-CD2 4.02Å; L145-L175 HydrophobicContact CB-CG 4.44Å; L145-L175 HydrophobicContact CD2-CD2 4.3Å; L169-L175 HydrophobicContact CD2-CD2 4.18Å; L169-L175 HydrophobicContact CD2-CG 4.48Å; L172-L175 HydrophobicContact CB-CB 4.03Å; L172-L175 HydrophobicContact CD1-CD2 4.49Å; L172-L175 VanDerWaalsContact O-CB 3.31Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 2.93Å; P173-L175 VanDerWaalsContact C-N 3.28Å; P173-L175 PolarHBondContact O-N 3.43Å; L175-L178 HydrophobicContact CD2-CB 4.08Å; L175-L178 HydrophobicContact CD2-CD1 4.37Å; L175-R183 PolarHBondContact O-NE 2.96Å; L175-R183 PolarHBondContact O-NH2 3.02Å | ||
| 176 | E | 91.2 | Very high | 89.2 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | trans | -95.3 | -37.8 | 179.7 | -66.8 | 179.2 | -177.1 | 0 | 0 | 112 | R143 Q174 D182 R183 | R143-E176 HydrophobicContact CB-CG 4.49Å; R143-E176 WeakPolarHBondContact CD-OE1 3.25Å; R143-E176 IonicContact NE-OE1 2.79Å; R143-E176 WeakPolarHBondContact O-CA 3.42Å; R143-E176 PolarHBondContact O-N 3.25Å; Q174-E176 PolarHBondContact O-N 2.92Å; E176-D182 WeakPolarHBondContact O-CA 3.16Å; E176-R183 PolarHBondContact O-N 3.48Å | ||
| 177 | I | 91.8 | Very high | 88.5 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.2 | -175.3 | -56.7 | 171.7 | 0 | 0 | 0 | 109.4 | R143 Q144 L145 T188 | R143-I177 PolarHBondContact O-N 3.35Å; Q144-I177 WeakPolarHBondContact CA-O 3.46Å; Q144-I177 HydrophobicContact CB-CB 4.36Å; Q144-I177 HydrophobicContact CG-CB 4.06Å; Q144-I177 HydrophobicContact CG-CG2 4.16Å; L145-I177 PolarHBondContact N-O 3.4Å; I177-T188 HydrophobicContact CD1-CG2 3.89Å |
| 178 | L | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.3 | 171.8 | 177.5 | 56.1 | 0 | 0 | 0 | 108.1 | L145 L147 Y164 R165 L168 L169 L175 H180 V181 | L145-L178 HydrophobicContact CB-CD1 4.21Å; L145-L178 HydrophobicContact CD2-CD1 4.2Å; L145-L178 HydrophobicContact CG-CD1 4.17Å; L145-L178 CarbonylContact O-C 3.5Å; L145-L178 VanDerWaalsContact O-CA 3.28Å; L145-L178 WeakPolarHBondContact O-CA 3.36Å; L145-L178 WeakPolarHBondContact O-CD1 3.49Å; L147-L178 HydrophobicContact CD1-CD1 4.3Å; Y164-L178 HydrophobicContact CE2-CD2 4.44Å; R165-L178 HydrophobicContact CB-CD2 4.29Å; R165-L178 HydrophobicContact CG-CD2 3.66Å; R165-L178 HydrophobicContact CG-CG 4.35Å; R165-L178 PolarHBondContact NH1-O 2.94Å; L168-L178 HydrophobicContact CB-CD2 3.96Å; L168-L178 HydrophobicContact CD1-CD2 4.22Å; L169-L178 HydrophobicContact CD2-CB 4.09Å; L169-L178 HydrophobicContact CD2-CD2 4.48Å; L169-L178 HydrophobicContact CG-CD2 4.13Å; L175-L178 HydrophobicContact CD2-CB 4.08Å; L175-L178 HydrophobicContact CD2-CD1 4.37Å; L178-H180 VanDerWaalsContact C-N 3.31Å; L178-H180 PolarHBondContact O-N 3.49Å; L178-V181 PolarHBondContact N-O 3.32Å; L178-V181 PolarHBondContact O-N 3.38Å |
| 179 | D | 90.9 | Very high | 86 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.011 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 46.9 | 174.8 | -53.4 | -34.8 | 0 | 0 | 0 | 113.6 | L145 L147 L148 Y164 V181 | L145-D179 PolarHBondContact O-N 3.35Å; L147-D179 WeakPolarHBondContact CA-OD1 3.37Å; L147-D179 PolarHBondContact N-OD1 2.95Å; L148-D179 HydrophobicContact CB-CB 4.34Å; L148-D179 PolarHBondContact N-OD1 2.87Å; L148-D179 WeakPolarHBondContact O-CB 3.48Å; Y164-D179 VanDerWaalsContact CE2-OD2 3.29Å; Y164-D179 WeakPolarHBondContact CE2-OD2 3.39Å; Y164-D179 PolarHBondContact OH-OD2 3.32Å; D179-V181 PolarHBondContact O-N 2.93Å; D179-V181 VanDerWaalsContact O-N 3.17Å |
| 180 | H | 85.4 | Confident | 84.3 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 19% | 0.185 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 16.6 | -177.3 | -50.1 | -86.7 | 0 | 0 | 0 | 115.6 | L178 S187 T188 I190 | L178-H180 VanDerWaalsContact C-N 3.31Å; L178-H180 PolarHBondContact O-N 3.49Å; H180-S187 CarbonylContact O-C 3.59Å; H180-S187 WeakPolarHBondContact O-CA 3.5Å; H180-T188 PolarHBondContact O-N 3.2Å; H180-I190 WeakPolarHBondContact CE1-CD1 3.43Å; H180-I190 VanDerWaalsContact CE1-CG1 3.49Å; H180-I190 WeakPolarHBondContact CE1-CG1 3.45Å; H180-I190 WeakPolarHBondContact ND1-CD1 3.28Å; H180-I190 VanDerWaalsContact ND1-CG1 3.3Å; H180-I190 WeakPolarHBondContact ND1-CG1 3.38Å |
| 181 | V | 88.2 | Confident | 82.6 | Confident | 33 Ų | 33 | 62 Ų | 62 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.6 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | R165 L178 D179 G185 R186 | R165-V181 VanDerWaalsContact NH2-C 3.31Å; R165-V181 VanDerWaalsContact NH2-CB 3.33Å; R165-V181 VanDerWaalsContact NH2-CG1 3.34Å; R165-V181 PolarHBondContact NH2-O 3.26Å; L178-V181 PolarHBondContact N-O 3.32Å; L178-V181 PolarHBondContact O-N 3.38Å; D179-V181 PolarHBondContact O-N 2.93Å; D179-V181 VanDerWaalsContact O-N 3.17Å; V181-G185 VanDerWaalsContact CG1-CA 3.43Å; V181-R186 WeakPolarHBondContact CA-O 3.38Å |
| 182 | D | 86.5 | Confident | 80.7 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 176.7 | 176.9 | 75.3 | 4.3 | 0 | 0 | 0 | 112.1 | R165 E176 M184 G185 R186 | R165-D182 PolarHBondContact NH2-O 2.88Å; E176-D182 WeakPolarHBondContact O-CA 3.16Å; D182-M184 PolarHBondContact O-N 3.28Å; D182-M184 VanDerWaalsContact OD1-C 3.28Å; D182-M184 VanDerWaalsContact OD1-CA 3.26Å; D182-M184 WeakPolarHBondContact OD1-CA 3.33Å; D182-M184 WeakPolarHBondContact OD1-CB 3.5Å; D182-M184 PolarHBondContact OD1-N 3.48Å; D182-G185 PolarHBondContact O-N 2.92Å; D182-G185 VanDerWaalsContact O-N 3.14Å; D182-G185 PolarHBondContact OD1-N 3.21Å; D182-R186 PolarHBondContact N-O 3.39Å; D182-R186 PolarHBondContact OD1-N 2.94Å; D182-R186 IonicContact OD2-CZ 3.98Å; D182-R186 VanDerWaalsContact OD2-CZ 3.24Å; D182-R186 IonicContact OD2-NE 3.91Å; D182-R186 PolarHBondContact OD2-NE 3.01Å; D182-R186 IonicContact OD2-NH2 3.01Å; D182-R186 PolarHBondContact OD2-NH2 3.45Å |
| 183 | R | 84.5 | Confident | 78.6 | Confident | 119 Ų | 119 | 64.3 Ų | 64.3 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.8 | 174.5 | -72.4 | -177.5 | 176 | -99.9 | -13 | 114.1 | L169 L172 P173 L175 E176 | L169-R183 HydrophobicContact CD2-CG 4.21Å; L169-R183 PolarHBondContact O-NH1 3.37Å; L169-R183 PolarHBondContact O-NH2 3Å; L169-R183 VanDerWaalsContact O-NH2 3.13Å; L172-R183 PolarHBondContact O-NH2 3Å; P173-R183 VanDerWaalsContact C-NH2 3.3Å; P173-R183 VanDerWaalsContact CA-NH2 3.32Å; P173-R183 PolarHBondContact O-NH2 3.34Å; L175-R183 PolarHBondContact O-NE 2.96Å; L175-R183 PolarHBondContact O-NH2 3.02Å; E176-R183 PolarHBondContact O-N 3.48Å |
| 184 | M | 83.5 | Confident | 76.9 | Confident | 139 Ų | 139 | 63 Ų | 63 | 69% | 0.685 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1.4 | -179.9 | -64 | 170.8 | 57.6 | 0 | 0 | 112.8 | D182 R186 | D182-M184 PolarHBondContact O-N 3.28Å; D182-M184 VanDerWaalsContact OD1-C 3.28Å; D182-M184 VanDerWaalsContact OD1-CA 3.26Å; D182-M184 WeakPolarHBondContact OD1-CA 3.33Å; D182-M184 WeakPolarHBondContact OD1-CB 3.5Å; D182-M184 PolarHBondContact OD1-N 3.48Å; M184-R186 HydrophobicContact CB-CG 4.42Å; M184-R186 PolarHBondContact SD-NH2 2.94Å; M184-R186 VanDerWaalsContact SD-NH2 3.36Å |
| 185 | G | 80.4 | Confident | 74.9 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 84.6 | 10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V181 D182 | V181-G185 VanDerWaalsContact CG1-CA 3.43Å; D182-G185 PolarHBondContact O-N 2.92Å; D182-G185 VanDerWaalsContact O-N 3.14Å; D182-G185 PolarHBondContact OD1-N 3.21Å |
| 186 | R | 81.8 | Confident | 73.1 | Confident | 143 Ų | 143 | 65.1 Ų | 65.1 | 54% | 0.54 | 35% | 0.35 | S | S | . | . | trans | -86.6 | 132.4 | 178.7 | -59.6 | 178.8 | -64.2 | -175.3 | 3.1 | 110.2 | V181 D182 M184 T188 | V181-R186 WeakPolarHBondContact CA-O 3.38Å; D182-R186 PolarHBondContact N-O 3.39Å; D182-R186 PolarHBondContact OD1-N 2.94Å; D182-R186 IonicContact OD2-CZ 3.98Å; D182-R186 VanDerWaalsContact OD2-CZ 3.24Å; D182-R186 IonicContact OD2-NE 3.91Å; D182-R186 PolarHBondContact OD2-NE 3.01Å; D182-R186 IonicContact OD2-NH2 3.01Å; D182-R186 PolarHBondContact OD2-NH2 3.45Å; M184-R186 HydrophobicContact CB-CG 4.42Å; M184-R186 PolarHBondContact SD-NH2 2.94Å; M184-R186 VanDerWaalsContact SD-NH2 3.36Å; R186-T188 PolarHBondContact O-N 3.37Å; R186-T188 PolarHBondContact O-OG1 2.88Å | ||
| 187 | S | 76.3 | Confident | 71.2 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 74% | 0.741 | 36% | 0.355 | S | S | * | . | B | Isolated β-bridge | trans | -65 | 129.1 | 172.3 | -166.4 | 0 | 0 | 0 | 0 | 109.4 | H180 | H180-S187 CarbonylContact O-C 3.59Å; H180-S187 WeakPolarHBondContact O-CA 3.5Å |
| 188 | T | 71.4 | Confident | 69.3 | Low | 45 Ų | 45 | 69.4 Ų | 69.4 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | trans | -126.6 | 128.1 | -176.6 | -40 | 0 | 0 | 0 | 0 | 108.1 | I177 H180 R186 | I177-T188 HydrophobicContact CD1-CG2 3.89Å; H180-T188 PolarHBondContact O-N 3.2Å; R186-T188 PolarHBondContact O-N 3.37Å; R186-T188 PolarHBondContact O-OG1 2.88Å | ||
| 189 | Q | 62.1 | Low | 67.3 | Low | 177 Ų | 177 | 69.9 Ų | 69.9 | 83% | 0.827 | 38% | 0.38 | S | S | * | . | trans | -74 | 143.8 | 174.1 | -71.9 | -172.9 | -7.1 | 0 | 0 | 110.4 | D191 | Q189-D191 PolarHBondContact O-N 3.21Š| ||
| 190 | I | 56.7 | Low | 65.4 | Low | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.185 | 40% | 0.402 | C | S | . | . | trans | -77.6 | 105.5 | 172.8 | -45.8 | -157.6 | 0 | 0 | 0 | 106.9 | V146 H180 V192 | V146-I190 HydrophobicContact CG2-CD1 3.65Å; H180-I190 WeakPolarHBondContact CE1-CD1 3.43Å; H180-I190 VanDerWaalsContact CE1-CG1 3.49Å; H180-I190 WeakPolarHBondContact CE1-CG1 3.45Å; H180-I190 WeakPolarHBondContact ND1-CD1 3.28Å; H180-I190 VanDerWaalsContact ND1-CG1 3.3Å; H180-I190 WeakPolarHBondContact ND1-CG1 3.38Å; I190-V192 PolarHBondContact O-N 3.34Å; I190-V192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | D | 53.7 | Low | 63.8 | Low | 98 Ų | 98 | 74.9 Ų | 74.9 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | trans | -74.4 | 106.4 | 169.4 | -168.3 | -17.1 | 0 | 0 | 0 | 108.6 | R92 Q189 L193 A194 | R92-D191 PolarHBondContact NH2-O 2.9Å; Q189-D191 PolarHBondContact O-N 3.21Å; D191-L193 PolarHBondContact O-N 3.38Å; D191-L193 PolarHBondContact OD1-N 3.43Å; D191-A194 HydrophobicContact CB-CB 4.11Å; D191-A194 PolarHBondContact OD1-N 2.88Å | ||
| 192 | V | 51.4 | Low | 61.8 | Low | 52 Ų | 52 | 73.6 Ų | 73.6 | 32% | 0.315 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -64 | -17.8 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | R92 I190 L211 | R92-V192 PolarHBondContact NH1-O 3.44Å; I190-V192 PolarHBondContact O-N 3.34Å; I190-V192 VanDerWaalsContact O-N 3.15Å; V192-L211 HydrophobicContact CG2-CD2 4.1Å |
| 193 | L | 48.9 | Very low | 59.7 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -124.2 | -4.5 | -166.4 | -70.9 | 160.1 | 0 | 0 | 0 | 115.5 | D191 D195 L196 L199 L203 | D191-L193 PolarHBondContact O-N 3.38Å; D191-L193 PolarHBondContact OD1-N 3.43Å; L193-D195 PolarHBondContact O-N 3.15Å; L193-L196 CarbonylContact O-C 3.57Å; L193-L196 PolarHBondContact O-N 3.44Å; L193-L199 HydrophobicContact CD2-CB 3.46Å; L193-L199 VanDerWaalsContact CD2-CB 3.46Å; L193-L203 HydrophobicContact CD1-CD1 3.56Å; L193-L203 HydrophobicContact CD1-CD2 3.58Å; L193-L203 HydrophobicContact CD1-CG 3.42Å; L193-L203 VanDerWaalsContact CD1-CG 3.42Å |
| 194 | A | 53.9 | Low | 57.9 | Low | 67 Ų | 67 | 76.5 Ų | 76.5 | 55% | 0.554 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -35 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D191 | D191-A194 HydrophobicContact CB-CB 4.11Å; D191-A194 PolarHBondContact OD1-N 2.88Å |
| 195 | D | 50 | Low | 55.9 | Low | 73 Ų | 73 | 74.7 Ų | 74.7 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4.2 | -177.3 | -60.9 | -41.2 | 0 | 0 | 0 | 114.6 | R69 V91 L193 | R69-D195 PolarHBondContact NH1-O 2.86Å; V91-D195 HydrophobicContact CG1-CB 3.81Å; V91-D195 WeakPolarHBondContact CG1-OD2 3.42Å; L193-D195 PolarHBondContact O-N 3.15Å |
| 196 | L | 53 | Low | 53.8 | Low | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.026 | 41% | 0.41 | C | S | . | . | trans | -149 | 74.3 | -173.9 | -96.9 | 167.3 | 0 | 0 | 0 | 113.2 | R69 V70 L193 E198 L199 | R69-L196 HydrophobicContact CB-CD1 3.42Å; R69-L196 VanDerWaalsContact CB-CD1 3.42Å; R69-L196 HydrophobicContact CB-CG 4.34Å; R69-L196 VanDerWaalsContact CD-CD2 3.4Å; R69-L196 HydrophobicContact CG-CD1 4.22Å; V70-L196 HydrophobicContact CG2-CD1 3.55Å; L193-L196 CarbonylContact O-C 3.57Å; L193-L196 PolarHBondContact O-N 3.44Å; L196-E198 PolarHBondContact O-N 3.38Å; L196-E198 VanDerWaalsContact O-N 3.12Å; L196-L199 HydrophobicContact CB-CD1 3.98Å; L196-L199 HydrophobicContact CD1-CD1 3.71Å; L196-L199 HydrophobicContact CD2-CD1 4.18Å; L196-L199 HydrophobicContact CG-CD1 4.18Å; L196-L199 PolarHBondContact O-N 3.29Å; L196-L199 VanDerWaalsContact O-N 3.15Å | ||
| 197 | P | 53.1 | Low | 51.7 | Low | 94 Ų | 94 | 69.1 Ų | 69.1 | 61% | 0.61 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -63.3 | -19.8 | -178.9 | 22 | -32 | 0 | 0 | 0 | 114.5 | L199 N200 | P197-L199 PolarHBondContact O-N 2.95Å; P197-N200 PolarHBondContact O-N 3.01Å |
| 198 | E | 51.7 | Low | 49.6 | Very low | 130 Ų | 130 | 70 Ų | 70 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.6 | 176.6 | -63.3 | 171.9 | -175.4 | 0 | 0 | 113.2 | R47 L196 | R47-E198 IonicContact CZ-OE2 3.65Å; R47-E198 IonicContact NH1-OE1 2.73Å; R47-E198 PolarHBondContact NH1-OE1 2.96Å; R47-E198 IonicContact NH1-OE2 3.67Å; R47-E198 PolarHBondContact NH1-OE2 2.99Å; L196-E198 PolarHBondContact O-N 3.38Å; L196-E198 VanDerWaalsContact O-N 3.12Å |
| 199 | L | 50 | Low | 47.9 | Very low | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -92.2 | 6.7 | -178.3 | -89.3 | 138.5 | 0 | 0 | 0 | 114 | V26 Y48 L193 L196 P197 G201 F202 | V26-L199 HydrophobicContact CG1-CD2 4.17Å; V26-L199 HydrophobicContact CG2-CD2 4.22Å; Y48-L199 HydrophobicContact CD1-CD2 4.34Å; Y48-L199 HydrophobicContact CD2-CD1 4.09Å; Y48-L199 HydrophobicContact CD2-CD2 3.61Å; Y48-L199 HydrophobicContact CE2-CD2 4.24Å; Y48-L199 HydrophobicContact CG-CD1 4.39Å; Y48-L199 HydrophobicContact CG-CD2 3.67Å; L193-L199 HydrophobicContact CD2-CB 3.46Å; L193-L199 VanDerWaalsContact CD2-CB 3.46Å; L196-L199 HydrophobicContact CB-CD1 3.98Å; L196-L199 HydrophobicContact CD1-CD1 3.71Å; L196-L199 HydrophobicContact CD2-CD1 4.18Å; L196-L199 HydrophobicContact CG-CD1 4.18Å; L196-L199 PolarHBondContact O-N 3.29Å; L196-L199 VanDerWaalsContact O-N 3.15Å; P197-L199 PolarHBondContact O-N 2.95Å; L199-G201 PolarHBondContact O-N 3.46Å; L199-F202 HydrophobicContact CD2-CB 4.12Å; L199-F202 HydrophobicContact CD2-CD2 4.08Å; L199-F202 HydrophobicContact CD2-CG 4.05Å; L199-F202 WeakPolarHBondContact O-CB 3.41Å; L199-F202 PolarHBondContact O-N 3.36Å |
| 200 | N | 52.1 | Low | 46.6 | Very low | 90 Ų | 90 | 64 Ų | 64 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -56.5 | -24.1 | 178.2 | -80.5 | -10.7 | 0 | 0 | 0 | 113.3 | P197 F202 | P197-N200 PolarHBondContact O-N 3.01Å; N200-F202 VanDerWaalsContact C-N 3.29Å; N200-F202 PolarHBondContact O-N 3.03Å |
| 201 | G | 51.2 | Low | 45.6 | Very low | 57 Ų | 57 | 67.3 Ų | 67.3 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -68.7 | -19.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | L199 | L199-G201 PolarHBondContact O-N 3.46Š|
| 202 | F | 46.1 | Very low | 44.5 | Very low | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -82.4 | -13.1 | 179.8 | -108.3 | -103.7 | 0 | 0 | 0 | 114 | E6 V26 N28 Y48 L199 N200 D204 M205 I206 | E6-F202 VanDerWaalsContact CD-CZ 3.49Å; E6-F202 HydrophobicContact CG-CE1 3.93Å; E6-F202 HydrophobicContact CG-CE2 4.15Å; E6-F202 HydrophobicContact CG-CZ 3.38Å; E6-F202 WeakPolarHBondContact OE1-CE1 3.24Å; E6-F202 WeakPolarHBondContact OE1-CE2 3.25Å; E6-F202 WeakPolarHBondContact OE1-CZ 3.22Å; V26-F202 HydrophobicContact CB-CE2 3.98Å; V26-F202 HydrophobicContact CB-CZ 4.29Å; V26-F202 HydrophobicContact CG1-CD2 3.89Å; V26-F202 HydrophobicContact CG1-CE1 3.98Å; V26-F202 HydrophobicContact CG1-CE2 3.15Å; V26-F202 HydrophobicContact CG1-CZ 3.18Å; V26-F202 HydrophobicContact CG2-CE2 4.49Å; N28-F202 HydrophobicContact CB-CE1 3.69Å; N28-F202 HydrophobicContact CB-CZ 4.06Å; Y48-F202 HydrophobicContact CE1-CD1 4.18Å; Y48-F202 AromaticContact CE1-CE1 3.96Å; Y48-F202 HydrophobicContact CE1-CE1 3.96Å; L199-F202 HydrophobicContact CD2-CB 4.12Å; L199-F202 HydrophobicContact CD2-CD2 4.08Å; L199-F202 HydrophobicContact CD2-CG 4.05Å; L199-F202 WeakPolarHBondContact O-CB 3.41Å; L199-F202 PolarHBondContact O-N 3.36Å; N200-F202 VanDerWaalsContact C-N 3.29Å; N200-F202 PolarHBondContact O-N 3.03Å; F202-D204 PolarHBondContact O-N 2.97Å; F202-D204 VanDerWaalsContact O-N 3.15Å; F202-M205 PolarHBondContact O-N 3.35Å; F202-I206 HydrophobicContact CD1-CD1 4.36Å; F202-I206 HydrophobicContact CD1-CG1 4.07Å; F202-I206 PolarHBondContact O-N 3.24Å |
| 203 | L | 42.2 | Very low | 43.4 | Very low | 95 Ų | 95 | 65.3 Ų | 65.3 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -57.2 | -29.6 | 179 | -81.7 | 167.5 | 0 | 0 | 0 | 112.9 | L193 M205 | L193-L203 HydrophobicContact CD1-CD1 3.56Å; L193-L203 HydrophobicContact CD1-CD2 3.58Å; L193-L203 HydrophobicContact CD1-CG 3.42Å; L193-L203 VanDerWaalsContact CD1-CG 3.42Å; L203-M205 VanDerWaalsContact C-N 3.33Å |
| 204 | D | 46 | Very low | 42.3 | Very low | 105 Ų | 105 | 68.5 Ų | 68.5 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -87 | -6.2 | -177.3 | -63.4 | -24 | 0 | 0 | 0 | 112.5 | F202 K552 | F202-D204 PolarHBondContact O-N 2.97Å; F202-D204 VanDerWaalsContact O-N 3.15Å; D204-K552 IonicContact OD1-NZ 3.82Å; D204-K552 PolarHBondContact OD1-NZ 2.6Å |
| 205 | M | 42.3 | Very low | 40.9 | Very low | 100 Ų | 100 | 72.6 Ų | 72.6 | 49% | 0.493 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -10.6 | -170.7 | -63.1 | -88.6 | 71.1 | 0 | 0 | 115.3 | E6 I8 F202 L203 P207 | E6-M205 VanDerWaalsContact OE2-CB 3.23Å; E6-M205 WeakPolarHBondContact OE2-CB 3.39Å; E6-M205 WeakPolarHBondContact OE2-CG 3.36Å; E6-M205 VanDerWaalsContact OE2-SD 3.4Å; I8-M205 WeakPolarHBondContact CD1-O 3.29Å; F202-M205 PolarHBondContact O-N 3.35Å; L203-M205 VanDerWaalsContact C-N 3.33Å; M205-P207 WeakPolarHBondContact O-CD 3.35Å |
| 206 | I | 36.9 | Very low | 39.8 | Very low | 35 Ų | 35 | 77.2 Ų | 77.2 | 18% | 0.179 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -83.3 | 114.4 | 169.4 | -58.6 | 172.3 | 0 | 0 | 0 | 108.1 | Y48 F202 I208 | Y48-I206 WeakPolarHBondContact OH-CD1 3.41Å; F202-I206 HydrophobicContact CD1-CD1 4.36Å; F202-I206 HydrophobicContact CD1-CG1 4.07Å; F202-I206 PolarHBondContact O-N 3.24Å; I206-I208 PolarHBondContact O-N 3.14Å |
| 207 | P | 36.7 | Very low | 38.5 | Very low | 47 Ų | 47 | 84.4 Ų | 84.4 | 31% | 0.305 | 48% | 0.477 | S | S | . | . | trans | -59.4 | 132.2 | 176.5 | -19.3 | 32.3 | 0 | 0 | 0 | 109.7 | M205 S209 S210 | M205-P207 WeakPolarHBondContact O-CD 3.35Å; P207-S209 WeakPolarHBondContact CB-OG 3.35Å; P207-S209 PolarHBondContact O-N 2.84Å; P207-S210 WeakPolarHBondContact O-CB 3.35Å; P207-S210 PolarHBondContact O-N 2.87Å; P207-S210 PolarHBondContact O-OG 2.97Å | ||
| 208 | I | 31.7 | Very low | 37 | Very low | 123 Ų | 123 | 91 Ų | 91 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -54.5 | -22.9 | -178.9 | -66.6 | 171.9 | 0 | 0 | 0 | 112 | I206 S210 L211 L212 | I206-I208 PolarHBondContact O-N 3.14Å; I208-S210 PolarHBondContact O-N 3.42Å; I208-L211 CarbonylContact O-C 3.49Å; I208-L211 PolarHBondContact O-N 3.36Å; I208-L212 HydrophobicContact CG2-CD1 3.69Å; I208-L212 HydrophobicContact CG2-CG 4.3Å; I208-L212 PolarHBondContact O-N 3.29Å |
| 209 | S | 36.2 | Very low | 35.7 | Very low | 68 Ų | 68 | 93.1 Ų | 93.1 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -60.1 | -25.4 | 173.2 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | P207 L212 | P207-S209 WeakPolarHBondContact CB-OG 3.35Å; P207-S209 PolarHBondContact O-N 2.84Å; S209-L212 CarbonylContact O-C 3.4Å; S209-L212 VanDerWaalsContact O-O 3.06Å |
| 210 | S | 35.3 | Very low | 34.5 | Very low | 29 Ų | 29 | 100.7 Ų | 100.7 | 20% | 0.203 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -81.3 | -20.6 | 174.5 | -43.7 | 0 | 0 | 0 | 0 | 112.6 | H30 P207 I208 | H30-S210 PolarHBondContact CE1-OG 3.02Å; H30-S210 PolarHBondContact NE2-OG 3.43Å; P207-S210 WeakPolarHBondContact O-CB 3.35Å; P207-S210 PolarHBondContact O-N 2.87Å; P207-S210 PolarHBondContact O-OG 2.97Å; I208-S210 PolarHBondContact O-N 3.42Å |
| 211 | L | 34.9 | Very low | 33.2 | Very low | 105 Ų | 105 | 105.9 Ų | 105.9 | 55% | 0.55 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.4 | -20.2 | 175 | -86.9 | 154.6 | 0 | 0 | 0 | 112.6 | V192 I208 | V192-L211 HydrophobicContact CG2-CD2 4.1Å; I208-L211 CarbonylContact O-C 3.49Å; I208-L211 PolarHBondContact O-N 3.36Å |
| 212 | L | 30.9 | Very low | 31.9 | Very low | 82 Ų | 82 | 108.1 Ų | 108.1 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.8 | 88 | -179.5 | -65.2 | 173.9 | 0 | 0 | 0 | 107.9 | I208 S209 S214 | I208-L212 HydrophobicContact CG2-CD1 3.69Å; I208-L212 HydrophobicContact CG2-CG 4.3Å; I208-L212 PolarHBondContact O-N 3.29Å; S209-L212 CarbonylContact O-C 3.4Å; S209-L212 VanDerWaalsContact O-O 3.06Å; L212-S214 PolarHBondContact O-N 3.04Å; L212-S214 PolarHBondContact O-OG 3.44Å |
| 213 | G | 27.6 | Very low | 30.9 | Very low | 26 Ų | 26 | 115.4 Ų | 115.4 | 27% | 0.268 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -43.9 | 109.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 214 | S | 27 | Very low | 30 | Very low | 91 Ų | 91 | 120 Ų | 120 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -146 | 89.2 | 175.6 | -70.6 | 0 | 0 | 0 | 0 | 106.9 | L212 | L212-S214 PolarHBondContact O-N 3.04Å; L212-S214 PolarHBondContact O-OG 3.44Å | ||
| 215 | D | 25.2 | Very low | 29 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 82% | 0.818 | 62% | 0.617 | S | S | * | * | trans | -157.6 | 84.6 | 153.3 | -101.7 | -19.6 | 0 | 0 | 0 | 109.1 | ||||
| 216 | H | 25.6 | Very low | 28.1 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 79% | 0.792 | 63% | 0.632 | S | S | * | * | trans | -103.8 | 89.4 | 162 | -93.3 | -47.3 | 0 | 0 | 0 | 108.2 | ||||
| 217 | L | 26.3 | Very low | 27.6 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 82% | 0.817 | 66% | 0.655 | S | S | * | * | trans | -147.2 | 78.7 | 148.3 | -76.2 | -175.3 | 0 | 0 | 0 | 108.8 | ||||
| 218 | R | 21.6 | Very low | 26.9 | Very low | 233 Ų | 233 | 133.5 Ų | 133.5 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -80.8 | 101.2 | 146.2 | -84.1 | -178.1 | 174.7 | 175.7 | -0.9 | 106.1 | ||||
| 219 | E | 24.9 | Very low | 26.5 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | -110.1 | 109.9 | 150.1 | -78.4 | -171.9 | 165.2 | 0 | 0 | 107.2 | E221 | E219-E221 PolarHBondContact O-N 2.94Š| ||
| 220 | E | 23 | Very low | 26.2 | Very low | 169 Ų | 169 | 140 Ų | 140 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | -64.7 | 112 | 166.3 | -68.7 | -171.1 | 147.6 | 0 | 0 | 108.4 | D222 | E220-D222 VanDerWaalsContact C-N 3.27Å; E220-D222 PolarHBondContact O-N 3.49Å | ||
| 221 | E | 25.6 | Very low | 25.6 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | trans | -85.1 | 84.7 | 154.9 | -76.8 | -163 | 160.4 | 0 | 0 | 108.7 | E219 K223 | E219-E221 PolarHBondContact O-N 2.94Å; E221-K223 PolarHBondContact O-N 3.43Å | ||
| 222 | D | 24.9 | Very low | 25.2 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | trans | -67.4 | 117.4 | 159.9 | -125.1 | -15.2 | 0 | 0 | 0 | 109 | E220 | E220-D222 VanDerWaalsContact C-N 3.27Å; E220-D222 PolarHBondContact O-N 3.49Å | ||
| 223 | K | 23.8 | Very low | 24.9 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | 35.4 | 122.7 | 136.6 | -58.3 | -172.3 | -163.8 | 81.6 | 0 | 118.6 | E221 | E221-K223 PolarHBondContact O-N 3.43Š| ||
| 224 | K | 23.7 | Very low | 24.8 | Very low | 191 Ų | 191 | 157.5 Ų | 157.5 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | 55.1 | 110.8 | 129.3 | -66 | -178.9 | 174.9 | -177.6 | 0 | 117.4 | |||||
| 225 | L | 24.9 | Very low | 24.8 | Very low | 167 Ų | 167 | 159 Ų | 159 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -160.3 | 102.4 | 140.5 | -93.3 | 149.8 | 0 | 0 | 0 | 104.4 | ||||
| 226 | N | 23.9 | Very low | 24.8 | Very low | 151 Ų | 151 | 160 Ų | 160 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | 69.1 | 144.2 | 60 | -143.4 | 26.8 | 0 | 0 | 0 | 113.9 | |||||
| 227 | S | 25.9 | Very low | 24.9 | Very low | 95 Ų | 95 | 160.5 Ų | 160.5 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | 71.9 | 115.3 | 179.8 | 44.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 228 | N | 22.7 | Very low | 24.8 | Very low | 158 Ų | 158 | 157.7 Ų | 157.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | cis | 52.7 | 89.3 | 36.9 | -82.8 | -6.7 | 0 | 0 | 0 | 114.1 | ||||
| 229 | E | 23.1 | Very low | 24.9 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -174.9 | 124.4 | 152.9 | -99.9 | 164.5 | -163 | 0 | 0 | 103.2 | ||||
| 230 | D | 29 | Very low | 24.9 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | -159 | 141.6 | 65.8 | -87.4 | -44.5 | 0 | 0 | 0 | 113.4 | |||||
| 231 | Q | 22.7 | Very low | 25 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -75.6 | 152.7 | 159.4 | -65.9 | 169.1 | 0.6 | 0 | 0 | 110.1 | ||||
| 232 | I | 26.7 | Very low | 24.9 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -174.8 | 98.7 | 138 | -85.1 | 141.5 | 0 | 0 | 0 | 105.5 | ||||
| 233 | H | 24.5 | Very low | 24.9 | Very low | 151 Ų | 151 | 150 Ų | 150 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | 67.6 | 97.9 | 83.9 | -114.7 | -74.7 | 0 | 0 | 0 | 117.5 | |||||
| 234 | L | 25.8 | Very low | 24.9 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 67% | 0.665 | 78% | 0.783 | S | S | * | * | trans | 39.1 | 141.4 | 130.4 | -78.9 | 136.4 | 0 | 0 | 0 | 122 | ||||
| 235 | P | 27.4 | Very low | 25 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | -149.9 | 135.4 | 86.5 | 33.2 | -12.6 | 0 | 0 | 0 | 115.6 | |||||
| 236 | K | 25.1 | Very low | 24.8 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | 69.5 | 125.5 | 91.5 | -76.8 | -172.8 | 178.8 | 178.2 | 0 | 118.2 | |||||
| 237 | Q | 26.8 | Very low | 24.8 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | 79.3 | 144.8 | 153 | -71.7 | 177.9 | -3.9 | 0 | 0 | 118.2 | ||||
| 238 | S | 24.2 | Very low | 24.8 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | cis | 169.4 | 131.8 | -26.1 | 45.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 239 | A | 23.8 | Very low | 25.1 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 54.4 | 131.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 240 | D | 25.2 | Very low | 25.4 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -161.2 | 144.5 | 47.1 | -106.1 | -40.1 | 0 | 0 | 0 | 112 | ||||
| 241 | K | 25.5 | Very low | 25.5 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 74% | 0.735 | 77% | 0.765 | S | S | * | * | trans | 33.4 | 129 | 140.8 | -66.6 | -179.3 | -179.2 | 178.7 | 0 | 123.4 | ||||
| 242 | E | 22.7 | Very low | 26.1 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | 56.5 | 147.6 | 128.4 | -65.3 | -178.8 | 155.6 | 0 | 0 | 121.3 | |||||
| 243 | V | 25.8 | Very low | 26.5 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | 113.7 | 110.4 | 164.1 | -176 | 0 | 0 | 0 | 0 | 115 | ||||
| 244 | K | 23.2 | Very low | 27.1 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -44.6 | 133.8 | 159.8 | -63.6 | 164.4 | 172.5 | 175.1 | 0 | 113 | ||||
| 245 | N | 25 | Very low | 27.6 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | 151.7 | 148.2 | 124.5 | -83.9 | -20.2 | 0 | 0 | 0 | 111.1 | |||||
| 246 | M | 21.1 | Very low | 28.1 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 82% | 0.823 | 72% | 0.723 | S | S | * | * | trans | 81.3 | 107.5 | 171.4 | -52.9 | -153.2 | -56.7 | 0 | 0 | 114.1 | ||||
| 247 | H | 24 | Very low | 28.9 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | 64.4 | 116.9 | 81.1 | -77.8 | 74.4 | 0 | 0 | 0 | 113.1 | |||||
| 248 | S | 25.8 | Very low | 29.7 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | 78.5 | 131.1 | 156.8 | 72.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 249 | A | 29.8 | Very low | 30.7 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 63% | 0.628 | 70% | 0.697 | S | S | * | * | trans | 72.5 | 91.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 250 | T | 29.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -163 | 11.7 | 139.1 | 4.3 | 0 | 0 | 0 | 0 | 116.1 | E252 | T250-E252 VanDerWaalsContact C-N 3.27Š|
| 251 | C | 30.6 | Very low | 32.6 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 5.4 | 166.9 | -158.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 252 | E | 35.6 | Very low | 34.5 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 58% | 0.584 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -7.6 | 176.5 | -77.5 | -178.8 | 167.4 | 0 | 0 | 114.1 | T250 Q256 | T250-E252 VanDerWaalsContact C-N 3.27Å; E252-Q256 WeakPolarHBondContact O-CB 3.49Å; E252-Q256 VanDerWaalsContact O-CG 3.29Å; E252-Q256 WeakPolarHBondContact O-CG 3.33Å; E252-Q256 PolarHBondContact O-N 2.94Å |
| 253 | Q | 34.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.8 | -30.4 | -178.7 | -73.5 | -173.8 | -13.4 | 0 | 0 | 113.6 | H257 | Q253-H257 PolarHBondContact O-CD2 2.89Å; Q253-H257 VanDerWaalsContact O-CD2 3.3Å; Q253-H257 PolarHBondContact O-N 3.31Å |
| 254 | S | 37.9 | Very low | 38.7 | Very low | 72 Ų | 72 | 112.3 Ų | 112.3 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.1 | -36.5 | 172.1 | 44.2 | 0 | 0 | 0 | 0 | 112.2 | I258 | S254-I258 WeakPolarHBondContact O-CG1 3.37Å; S254-I258 PolarHBondContact O-N 3.49Å; S254-I258 VanDerWaalsContact O-N 3.17Å |
| 255 | E | 36.1 | Very low | 41.1 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74 | -33.6 | 176.4 | -73.9 | -174.4 | 162 | 0 | 0 | 112.7 | S259 | E255-S259 VanDerWaalsContact O-CB 3.29Å; E255-S259 WeakPolarHBondContact O-CB 3.41Å; E255-S259 PolarHBondContact O-N 2.97Å; E255-S259 PolarHBondContact O-OG 2.96Å |
| 256 | Q | 38.1 | Very low | 43.4 | Very low | 126 Ų | 126 | 105.7 Ų | 105.7 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68 | -36.3 | 172.2 | -78.8 | -174.8 | 1.1 | 0 | 0 | 112.6 | E252 T260 | E252-Q256 WeakPolarHBondContact O-CB 3.49Å; E252-Q256 VanDerWaalsContact O-CG 3.29Å; E252-Q256 WeakPolarHBondContact O-CG 3.33Å; E252-Q256 PolarHBondContact O-N 2.94Å; Q256-T260 WeakPolarHBondContact O-CB 3.29Å; Q256-T260 PolarHBondContact O-N 3.44Å; Q256-T260 PolarHBondContact O-OG1 3.33Å |
| 257 | H | 40 | Very low | 45.9 | Very low | 127 Ų | 127 | 106.7 Ų | 106.7 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.8 | -39.6 | 175.7 | -91.2 | -72 | 0 | 0 | 0 | 112.8 | Q253 T260 L261 | Q253-H257 PolarHBondContact O-CD2 2.89Å; Q253-H257 VanDerWaalsContact O-CD2 3.3Å; Q253-H257 PolarHBondContact O-N 3.31Å; H257-T260 WeakPolarHBondContact CA-OG1 3.45Å; H257-T260 PolarHBondContact O-N 3.43Å; H257-T260 PolarHBondContact O-OG1 2.98Å; H257-L261 WeakPolarHBondContact O-CB 3.39Å; H257-L261 PolarHBondContact O-N 3.29Å |
| 258 | I | 45.6 | Very low | 48.6 | Very low | 121 Ų | 121 | 106.7 Ų | 106.7 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68 | -40.1 | 175.4 | -66.1 | 168.6 | 0 | 0 | 0 | 110.6 | S254 L261 S262 | S254-I258 WeakPolarHBondContact O-CG1 3.37Å; S254-I258 PolarHBondContact O-N 3.49Å; S254-I258 VanDerWaalsContact O-N 3.17Å; I258-L261 PolarHBondContact O-N 3.02Å; I258-S262 WeakPolarHBondContact O-CB 3.37Å; I258-S262 PolarHBondContact O-N 3Å |
| 259 | S | 44.7 | Very low | 51.2 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 53% | 0.531 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.4 | -36.3 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | E255 S263 | E255-S259 VanDerWaalsContact O-CB 3.29Å; E255-S259 WeakPolarHBondContact O-CB 3.41Å; E255-S259 PolarHBondContact O-N 2.97Å; E255-S259 PolarHBondContact O-OG 2.96Å; S259-S263 WeakPolarHBondContact O-CB 3.43Å; S259-S263 PolarHBondContact O-N 3.29Å; S259-S263 PolarHBondContact O-OG 2.71Å |
| 260 | T | 46.3 | Very low | 53.7 | Low | 74 Ų | 74 | 107.9 Ų | 107.9 | 45% | 0.454 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.5 | -44 | 173.3 | 34.6 | 0 | 0 | 0 | 0 | 111.4 | Q256 H257 S262 S263 T264 | Q256-T260 WeakPolarHBondContact O-CB 3.29Å; Q256-T260 PolarHBondContact O-N 3.44Å; Q256-T260 PolarHBondContact O-OG1 3.33Å; H257-T260 WeakPolarHBondContact CA-OG1 3.45Å; H257-T260 PolarHBondContact O-N 3.43Å; H257-T260 PolarHBondContact O-OG1 2.98Å; T260-S262 PolarHBondContact O-N 3.07Å; T260-S263 WeakPolarHBondContact CA-OG 3.49Å; T260-S263 PolarHBondContact O-N 3.38Å; T260-S263 PolarHBondContact O-OG 3.4Å; T260-T264 WeakPolarHBondContact O-CB 3.31Å; T260-T264 PolarHBondContact O-N 3.21Å; T260-T264 PolarHBondContact O-OG1 3.39Å |
| 261 | L | 41.2 | Very low | 56.2 | Low | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.3 | -42.3 | 174.3 | -92.7 | 142.2 | 0 | 0 | 0 | 112.3 | H257 I258 T264 T265 | H257-L261 WeakPolarHBondContact O-CB 3.39Å; H257-L261 PolarHBondContact O-N 3.29Å; I258-L261 PolarHBondContact O-N 3.02Å; L261-T264 PolarHBondContact O-N 2.93Å; L261-T265 WeakPolarHBondContact O-CB 3.46Å; L261-T265 PolarHBondContact O-N 3.21Å; L261-T265 PolarHBondContact O-OG1 3.06Å |
| 262 | S | 65.9 | Low | 58.7 | Low | 63 Ų | 63 | 106.9 Ų | 106.9 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -49.5 | 175.1 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | I258 T260 T264 T265 E266 | I258-S262 WeakPolarHBondContact O-CB 3.37Å; I258-S262 PolarHBondContact O-N 3Å; T260-S262 PolarHBondContact O-N 3.07Å; S262-T264 VanDerWaalsContact C-N 3.32Å; S262-T264 PolarHBondContact O-N 2.74Å; S262-T265 PolarHBondContact O-N 3.45Å; S262-E266 WeakPolarHBondContact O-CB 3.35Å; S262-E266 PolarHBondContact O-N 2.94Å |
| 263 | S | 66.3 | Low | 60.9 | Low | 42 Ų | 42 | 106.4 Ų | 106.4 | 29% | 0.294 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.2 | -29.8 | 178.9 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | S259 T260 R267 | S259-S263 WeakPolarHBondContact O-CB 3.43Å; S259-S263 PolarHBondContact O-N 3.29Å; S259-S263 PolarHBondContact O-OG 2.71Å; T260-S263 WeakPolarHBondContact CA-OG 3.49Å; T260-S263 PolarHBondContact O-N 3.38Å; T260-S263 PolarHBondContact O-OG 3.4Å; S263-R267 WeakPolarHBondContact O-CB 3.26Å; S263-R267 PolarHBondContact O-N 3.4Å |
| 264 | T | 71 | Confident | 63.2 | Low | 73 Ų | 73 | 104 Ų | 104 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.2 | -36.5 | 175.4 | -44.5 | 0 | 0 | 0 | 0 | 110.7 | T260 L261 S262 R268 | T260-T264 WeakPolarHBondContact O-CB 3.31Å; T260-T264 PolarHBondContact O-N 3.21Å; T260-T264 PolarHBondContact O-OG1 3.39Å; L261-T264 PolarHBondContact O-N 2.93Å; S262-T264 VanDerWaalsContact C-N 3.32Å; S262-T264 PolarHBondContact O-N 2.74Å; T264-R268 WeakPolarHBondContact O-CB 3.38Å; T264-R268 PolarHBondContact O-N 3.05Å |
| 265 | T | 73.7 | Confident | 65.5 | Low | 73 Ų | 73 | 105.8 Ų | 105.8 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 175.7 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | L261 S262 R268 L269 | L261-T265 WeakPolarHBondContact O-CB 3.46Å; L261-T265 PolarHBondContact O-N 3.21Å; L261-T265 PolarHBondContact O-OG1 3.06Å; S262-T265 PolarHBondContact O-N 3.45Å; T265-R268 WeakPolarHBondContact O-CB 3.32Å; T265-R268 PolarHBondContact O-N 3.01Å; T265-R268 VanDerWaalsContact O-N 3.16Å; T265-L269 HydrophobicContact CG2-CD1 4.42Å; T265-L269 WeakPolarHBondContact O-CG 3.48Å; T265-L269 PolarHBondContact O-N 3.4Å |
| 266 | E | 72.4 | Confident | 67.9 | Low | 116 Ų | 116 | 104.4 Ų | 104.4 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 171.8 | -80.8 | -178.7 | 155.8 | 0 | 0 | 111.9 | S262 R268 L269 L270 | S262-E266 WeakPolarHBondContact O-CB 3.35Å; S262-E266 PolarHBondContact O-N 2.94Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.66Å; E266-L269 PolarHBondContact O-N 2.9Å; E266-L270 WeakPolarHBondContact O-CB 3.37Å; E266-L270 PolarHBondContact O-N 3.15Å |
| 267 | R | 74.2 | Confident | 70 | Confident | 188 Ų | 188 | 102.6 Ų | 102.6 | 71% | 0.709 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -37.1 | 173.2 | -90 | -173.9 | 179.7 | 131.7 | -0.3 | 112.6 | S263 N271 | S263-R267 WeakPolarHBondContact O-CB 3.26Å; S263-R267 PolarHBondContact O-N 3.4Å; R267-N271 VanDerWaalsContact O-CB 3.22Å; R267-N271 WeakPolarHBondContact O-CB 3.42Å; R267-N271 PolarHBondContact O-N 3.02Å |
| 268 | R | 80.5 | Confident | 71.9 | Confident | 181 Ų | 181 | 100.4 Ų | 100.4 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 174.7 | -90.1 | -179.3 | 168.5 | 162.3 | -2.8 | 111.6 | T264 T265 E266 N271 L272 | T264-R268 WeakPolarHBondContact O-CB 3.38Å; T264-R268 PolarHBondContact O-N 3.05Å; T265-R268 WeakPolarHBondContact O-CB 3.32Å; T265-R268 PolarHBondContact O-N 3.01Å; T265-R268 VanDerWaalsContact O-N 3.16Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.66Å; R268-N271 PolarHBondContact O-N 3.45Å; R268-L272 WeakPolarHBondContact O-CB 3.5Å; R268-L272 WeakPolarHBondContact O-CG 3.47Å; R268-L272 PolarHBondContact O-N 3.29Å |
| 269 | L | 79.9 | Confident | 73.8 | Confident | 106 Ų | 106 | 99.4 Ų | 99.4 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -48.2 | 177.1 | -73.8 | 170 | 0 | 0 | 0 | 111 | T265 E266 N271 L272 E273 | T265-L269 HydrophobicContact CG2-CD1 4.42Å; T265-L269 WeakPolarHBondContact O-CG 3.48Å; T265-L269 PolarHBondContact O-N 3.4Å; E266-L269 PolarHBondContact O-N 2.9Å; L269-N271 VanDerWaalsContact C-N 3.31Å; L269-N271 PolarHBondContact O-N 3.41Å; L269-L272 PolarHBondContact O-N 3.01Å; L269-E273 VanDerWaalsContact O-CB 3.26Å; L269-E273 WeakPolarHBondContact O-CB 3.45Å; L269-E273 PolarHBondContact O-N 2.91Å |
| 270 | L | 82.4 | Confident | 75.7 | Confident | 113 Ų | 113 | 99.6 Ų | 99.6 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.4 | -37.9 | 174.9 | -83.3 | 161.1 | 0 | 0 | 0 | 112.7 | E266 S274 | E266-L270 WeakPolarHBondContact O-CB 3.37Å; E266-L270 PolarHBondContact O-N 3.15Å; L270-S274 VanDerWaalsContact O-CB 3.31Å; L270-S274 WeakPolarHBondContact O-CB 3.5Å; L270-S274 PolarHBondContact O-N 2.97Å |
| 271 | N | 82.3 | Confident | 77.4 | Confident | 92 Ų | 92 | 100.1 Ų | 100.1 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 176.3 | -172.5 | 39.1 | 0 | 0 | 0 | 111.8 | R267 R268 L269 S274 Q275 | R267-N271 VanDerWaalsContact O-CB 3.22Å; R267-N271 WeakPolarHBondContact O-CB 3.42Å; R267-N271 PolarHBondContact O-N 3.02Å; R268-N271 PolarHBondContact O-N 3.45Å; L269-N271 VanDerWaalsContact C-N 3.31Å; L269-N271 PolarHBondContact O-N 3.41Å; N271-S274 PolarHBondContact O-N 2.99Å; N271-Q275 WeakPolarHBondContact O-CB 3.39Å; N271-Q275 VanDerWaalsContact O-CG 3.32Å; N271-Q275 WeakPolarHBondContact O-CG 3.38Å; N271-Q275 PolarHBondContact O-N 3.38Å |
| 272 | L | 83.2 | Confident | 79.3 | Confident | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 174.9 | -76.4 | 169 | 0 | 0 | 0 | 111.6 | R268 L269 Q275 L276 | R268-L272 WeakPolarHBondContact O-CB 3.5Å; R268-L272 WeakPolarHBondContact O-CG 3.47Å; R268-L272 PolarHBondContact O-N 3.29Å; L269-L272 PolarHBondContact O-N 3.01Å; L272-Q275 PolarHBondContact O-N 3.45Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 PolarHBondContact O-N 3.38Å |
| 273 | E | 82.7 | Confident | 79.9 | Confident | 115 Ų | 115 | 98.7 Ų | 98.7 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 177.1 | -160.9 | 173.7 | -150.8 | 0 | 0 | 111.2 | L269 L276 N277 | L269-E273 VanDerWaalsContact O-CB 3.26Å; L269-E273 WeakPolarHBondContact O-CB 3.45Å; L269-E273 PolarHBondContact O-N 2.91Å; E273-L276 PolarHBondContact O-N 3.42Å; E273-N277 WeakPolarHBondContact O-CB 3.45Å; E273-N277 PolarHBondContact O-N 3.29Å; E273-N277 PolarHBondContact O-ND2 2.97Å |
| 274 | S | 83.4 | Confident | 80.5 | Confident | 76 Ų | 76 | 101.7 Ų | 101.7 | 53% | 0.531 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 171.6 | -173 | 0 | 0 | 0 | 0 | 112.5 | L270 N271 S278 | L270-S274 VanDerWaalsContact O-CB 3.31Å; L270-S274 WeakPolarHBondContact O-CB 3.5Å; L270-S274 PolarHBondContact O-N 2.97Å; N271-S274 PolarHBondContact O-N 2.99Å; S274-S278 VanDerWaalsContact O-CB 3.3Å; S274-S278 WeakPolarHBondContact O-CB 3.44Å; S274-S278 PolarHBondContact O-N 3.3Å |
| 275 | Q | 84.9 | Confident | 80.7 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 175.2 | -76.6 | 179.2 | 9.3 | 0 | 0 | 111.6 | N271 L272 S278 L279 | N271-Q275 WeakPolarHBondContact O-CB 3.39Å; N271-Q275 VanDerWaalsContact O-CG 3.32Å; N271-Q275 WeakPolarHBondContact O-CG 3.38Å; N271-Q275 PolarHBondContact O-N 3.38Å; L272-Q275 PolarHBondContact O-N 3.45Å; Q275-S278 WeakPolarHBondContact O-CB 3.39Å; Q275-S278 PolarHBondContact O-N 3.31Å; Q275-L279 WeakPolarHBondContact O-CB 3.37Å; Q275-L279 PolarHBondContact O-N 3.23Å |
| 276 | L | 88.1 | Confident | 80.6 | Confident | 104 Ų | 104 | 106.8 Ų | 106.8 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.3 | -166 | 81.1 | 0 | 0 | 0 | 110.7 | L272 E273 S278 L279 I280 | L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 PolarHBondContact O-N 3.38Å; E273-L276 PolarHBondContact O-N 3.42Å; L276-S278 PolarHBondContact O-N 3.04Å; L276-L279 PolarHBondContact O-N 2.94Å; L276-L279 VanDerWaalsContact O-N 3.16Å; L276-I280 HydrophobicContact CD2-CD1 4.24Å; L276-I280 HydrophobicContact CG-CD1 4.01Å; L276-I280 WeakPolarHBondContact O-CB 3.34Å; L276-I280 VanDerWaalsContact O-CG1 3.27Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.39Å |
| 277 | N | 81.1 | Confident | 80.4 | Confident | 88 Ų | 88 | 105.3 Ų | 105.3 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 177.5 | -78.3 | -30.6 | 0 | 0 | 0 | 112.6 | E273 T281 | E273-N277 WeakPolarHBondContact O-CB 3.45Å; E273-N277 PolarHBondContact O-N 3.29Å; E273-N277 PolarHBondContact O-ND2 2.97Å; N277-T281 VanDerWaalsContact O-CB 3.32Å; N277-T281 WeakPolarHBondContact O-CB 3.28Å; N277-T281 PolarHBondContact O-N 2.96Å; N277-T281 PolarHBondContact O-OG1 3.48Å |
| 278 | S | 81.4 | Confident | 79.7 | Confident | 80 Ų | 80 | 103.2 Ų | 103.2 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 171.4 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | S274 Q275 L276 T281 S282 | S274-S278 VanDerWaalsContact O-CB 3.3Å; S274-S278 WeakPolarHBondContact O-CB 3.44Å; S274-S278 PolarHBondContact O-N 3.3Å; Q275-S278 WeakPolarHBondContact O-CB 3.39Å; Q275-S278 PolarHBondContact O-N 3.31Å; L276-S278 PolarHBondContact O-N 3.04Å; S278-T281 PolarHBondContact O-N 2.94Å; S278-S282 WeakPolarHBondContact O-CB 3.39Å; S278-S282 PolarHBondContact O-N 3.47Å |
| 279 | L | 84.9 | Confident | 78.3 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 179.1 | -164.9 | 74.1 | 0 | 0 | 0 | 111.9 | Q275 L276 T281 S282 H283 | Q275-L279 WeakPolarHBondContact O-CB 3.37Å; Q275-L279 PolarHBondContact O-N 3.23Å; L276-L279 PolarHBondContact O-N 2.94Å; L276-L279 VanDerWaalsContact O-N 3.16Å; L279-T281 VanDerWaalsContact C-N 3.35Å; L279-S282 WeakPolarHBondContact O-CB 3.27Å; L279-S282 PolarHBondContact O-N 2.99Å; L279-H283 WeakPolarHBondContact O-CB 3.49Å; L279-H283 PolarHBondContact O-N 2.69Å |
| 280 | I | 85.2 | Confident | 76.9 | Confident | 80 Ų | 80 | 99.3 Ų | 99.3 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 174.4 | -69.3 | 166.1 | 0 | 0 | 0 | 109.7 | L276 S282 H283 L284 | L276-I280 HydrophobicContact CD2-CD1 4.24Å; L276-I280 HydrophobicContact CG-CD1 4.01Å; L276-I280 WeakPolarHBondContact O-CB 3.34Å; L276-I280 VanDerWaalsContact O-CG1 3.27Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.39Å; I280-S282 VanDerWaalsContact C-N 3.34Å; I280-S282 PolarHBondContact O-N 3.33Å; I280-H283 PolarHBondContact O-N 3.29Å; I280-L284 HydrophobicContact CG2-CD1 3.86Å; I280-L284 HydrophobicContact CG2-CG 4.32Å; I280-L284 WeakPolarHBondContact O-CB 3.37Å; I280-L284 WeakPolarHBondContact O-CG 3.5Å; I280-L284 PolarHBondContact O-N 2.9Å |
| 281 | T | 80.9 | Confident | 74.8 | Confident | 85 Ų | 85 | 100.4 Ų | 100.4 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 178 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | N277 S278 L279 L284 M285 | N277-T281 VanDerWaalsContact O-CB 3.32Å; N277-T281 WeakPolarHBondContact O-CB 3.28Å; N277-T281 PolarHBondContact O-N 2.96Å; N277-T281 PolarHBondContact O-OG1 3.48Å; S278-T281 PolarHBondContact O-N 2.94Å; L279-T281 VanDerWaalsContact C-N 3.35Å; T281-L284 PolarHBondContact O-N 2.88Å; T281-M285 WeakPolarHBondContact O-CB 3.31Å; T281-M285 PolarHBondContact O-N 3.28Å |
| 282 | S | 81.5 | Confident | 72.7 | Confident | 50 Ų | 50 | 101.4 Ų | 101.4 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.5 | -175 | 0 | 0 | 0 | 0 | 111.7 | S278 L279 I280 M285 R286 | S278-S282 WeakPolarHBondContact O-CB 3.39Å; S278-S282 PolarHBondContact O-N 3.47Å; L279-S282 WeakPolarHBondContact O-CB 3.27Å; L279-S282 PolarHBondContact O-N 2.99Å; I280-S282 VanDerWaalsContact C-N 3.34Å; I280-S282 PolarHBondContact O-N 3.33Å; S282-M285 PolarHBondContact O-N 2.97Å; S282-R286 WeakPolarHBondContact O-CB 3.29Å; S282-R286 PolarHBondContact O-N 3.35Å |
| 283 | H | 78.3 | Confident | 70.3 | Confident | 97 Ų | 97 | 102.6 Ų | 102.6 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 175.8 | -88 | 23.7 | 0 | 0 | 0 | 112.1 | L279 I280 M285 R286 I287 | L279-H283 WeakPolarHBondContact O-CB 3.49Å; L279-H283 PolarHBondContact O-N 2.69Å; I280-H283 PolarHBondContact O-N 3.29Å; H283-M285 PolarHBondContact O-N 3.4Å; H283-R286 PolarHBondContact O-N 3.43Å; H283-R286 VanDerWaalsContact O-N 3.15Å; H283-I287 WeakPolarHBondContact O-CB 3.3Å; H283-I287 VanDerWaalsContact O-CG1 3.23Å; H283-I287 WeakPolarHBondContact O-CG1 3.42Å; H283-I287 PolarHBondContact O-N 3.29Å |
| 284 | L | 78.4 | Confident | 67.9 | Low | 106 Ų | 106 | 105.5 Ų | 105.5 | 56% | 0.555 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 175.7 | -70.8 | 172.8 | 0 | 0 | 0 | 111.5 | I280 T281 R286 I287 Y288 | I280-L284 HydrophobicContact CG2-CD1 3.86Å; I280-L284 HydrophobicContact CG2-CG 4.32Å; I280-L284 WeakPolarHBondContact O-CB 3.37Å; I280-L284 WeakPolarHBondContact O-CG 3.5Å; I280-L284 PolarHBondContact O-N 2.9Å; T281-L284 PolarHBondContact O-N 2.88Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 2.93Å; L284-I287 PolarHBondContact O-N 2.93Å; L284-Y288 VanDerWaalsContact O-CB 3.3Å; L284-Y288 WeakPolarHBondContact O-CB 3.46Å; L284-Y288 PolarHBondContact O-N 2.97Å |
| 285 | M | 75.3 | Confident | 65.2 | Low | 109 Ų | 109 | 106.2 Ų | 106.2 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 172.9 | -92.3 | -76.5 | -89.8 | 0 | 0 | 112.3 | T281 S282 H283 Y288 Q289 | T281-M285 WeakPolarHBondContact O-CB 3.31Å; T281-M285 PolarHBondContact O-N 3.28Å; S282-M285 PolarHBondContact O-N 2.97Å; H283-M285 PolarHBondContact O-N 3.4Å; M285-Y288 PolarHBondContact O-N 3.14Å; M285-Q289 WeakPolarHBondContact O-CB 3.48Å; M285-Q289 VanDerWaalsContact O-CG 3.3Å; M285-Q289 WeakPolarHBondContact O-CG 3.47Å; M285-Q289 PolarHBondContact O-N 2.97Å |
| 286 | R | 71.1 | Confident | 62.6 | Low | 143 Ų | 143 | 110.8 Ų | 110.8 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -43.8 | 176.1 | -130.3 | -180 | -75 | 174.5 | -4.9 | 111.3 | S282 H283 L284 Q289 T290 | S282-R286 WeakPolarHBondContact O-CB 3.29Å; S282-R286 PolarHBondContact O-N 3.35Å; H283-R286 PolarHBondContact O-N 3.43Å; H283-R286 VanDerWaalsContact O-N 3.15Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 2.93Å; R286-Q289 PolarHBondContact O-N 2.98Å; R286-T290 PolarHBondContact O-N 3.02Å; R286-T290 PolarHBondContact O-OG1 3.16Å |
| 287 | I | 69.9 | Low | 59.7 | Low | 85 Ų | 85 | 111.1 Ų | 111.1 | 44% | 0.436 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.6 | -47.5 | 175.2 | -68.9 | 164.4 | 0 | 0 | 0 | 109.8 | H283 L284 Q289 T290 E291 | H283-I287 WeakPolarHBondContact O-CB 3.3Å; H283-I287 VanDerWaalsContact O-CG1 3.23Å; H283-I287 WeakPolarHBondContact O-CG1 3.42Å; H283-I287 PolarHBondContact O-N 3.29Å; L284-I287 PolarHBondContact O-N 2.93Å; I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 2.92Å; I287-T290 VanDerWaalsContact CA-OG1 3.28Å; I287-T290 WeakPolarHBondContact CA-OG1 3.43Å; I287-T290 PolarHBondContact O-N 3.5Å; I287-T290 VanDerWaalsContact O-N 3.15Å; I287-T290 PolarHBondContact O-OG1 3.39Å; I287-E291 WeakPolarHBondContact O-CG 3.32Å; I287-E291 PolarHBondContact O-N 2.9Å |
| 288 | Y | 58.7 | Low | 56.9 | Low | 144 Ų | 144 | 116.5 Ų | 116.5 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.7 | -36 | 179.3 | -151.6 | -91.8 | 0 | 0 | 0 | 112.6 | L284 M285 H292 | L284-Y288 VanDerWaalsContact O-CB 3.3Å; L284-Y288 WeakPolarHBondContact O-CB 3.46Å; L284-Y288 PolarHBondContact O-N 2.97Å; M285-Y288 PolarHBondContact O-N 3.14Å; Y288-H292 AromaticContact CD1-CD2 3.88Å; Y288-H292 AromaticContact CE1-CD2 3.47Å; Y288-H292 VanDerWaalsContact CE1-CD2 3.47Å; Y288-H292 WeakPolarHBondContact CE1-CD2 3.34Å; Y288-H292 AromaticContact CE1-NE2 3.63Å; Y288-H292 AromaticContact CZ-NE2 3.84Å; Y288-H292 PolarHBondContact O-N 3.3Å |
| 289 | Q | 51.9 | Low | 54.2 | Low | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.2 | -37.3 | 172.7 | -76.6 | 178.3 | 4.5 | 0 | 0 | 112.4 | M285 R286 I287 E291 H292 I293 | M285-Q289 WeakPolarHBondContact O-CB 3.48Å; M285-Q289 VanDerWaalsContact O-CG 3.3Å; M285-Q289 WeakPolarHBondContact O-CG 3.47Å; M285-Q289 PolarHBondContact O-N 2.97Å; R286-Q289 PolarHBondContact O-N 2.98Å; I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 2.92Å; Q289-E291 VanDerWaalsContact C-N 3.35Å; Q289-H292 PolarHBondContact O-N 3.42Å; Q289-I293 WeakPolarHBondContact O-CG1 3.45Å; Q289-I293 PolarHBondContact O-N 2.93Å |
| 290 | T | 50 | Low | 51.3 | Low | 94 Ų | 94 | 120.4 Ų | 120.4 | 58% | 0.577 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.5 | -31.3 | 175.9 | 44.7 | 0 | 0 | 0 | 0 | 112.9 | R286 I287 | R286-T290 PolarHBondContact O-N 3.02Å; R286-T290 PolarHBondContact O-OG1 3.16Å; I287-T290 VanDerWaalsContact CA-OG1 3.28Å; I287-T290 WeakPolarHBondContact CA-OG1 3.43Å; I287-T290 PolarHBondContact O-N 3.5Å; I287-T290 VanDerWaalsContact O-N 3.15Å; I287-T290 PolarHBondContact O-OG1 3.39Å |
| 291 | E | 38.7 | Very low | 48.6 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 63% | 0.631 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75 | -22.6 | 177 | -73.8 | -175.9 | 164.9 | 0 | 0 | 113.1 | I287 Q289 | I287-E291 WeakPolarHBondContact O-CG 3.32Å; I287-E291 PolarHBondContact O-N 2.9Å; Q289-E291 VanDerWaalsContact C-N 3.35Å |
| 292 | H | 36.8 | Very low | 45.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 53% | 0.528 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -100.3 | 0.8 | -179.6 | -82.9 | -37.6 | 0 | 0 | 0 | 116.5 | Y288 Q289 H294 | Y288-H292 AromaticContact CD1-CD2 3.88Å; Y288-H292 AromaticContact CE1-CD2 3.47Å; Y288-H292 VanDerWaalsContact CE1-CD2 3.47Å; Y288-H292 WeakPolarHBondContact CE1-CD2 3.34Å; Y288-H292 AromaticContact CE1-NE2 3.63Å; Y288-H292 AromaticContact CZ-NE2 3.84Å; Y288-H292 PolarHBondContact O-N 3.3Å; Q289-H292 PolarHBondContact O-N 3.42Å; H292-H294 VanDerWaalsContact C-N 3.35Å |
| 293 | I | 34.2 | Very low | 43.1 | Very low | 129 Ų | 129 | 131 Ų | 131 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -86.2 | -6 | 173.7 | -69.5 | 170.6 | 0 | 0 | 0 | 112.8 | Q289 | Q289-I293 WeakPolarHBondContact O-CG1 3.45Å; Q289-I293 PolarHBondContact O-N 2.93Å |
| 294 | H | 31.3 | Very low | 40.4 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 81% | 0.81 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -123.8 | 55.7 | 176.4 | -69.5 | -59.5 | 0 | 0 | 0 | 113.4 | H292 | H292-H294 VanDerWaalsContact C-N 3.35Š|
| 295 | S | 27.5 | Very low | 37.6 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | trans | -137.7 | 91.1 | 157.1 | 81.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 296 | K | 28.6 | Very low | 35.2 | Very low | 205 Ų | 205 | 130.7 Ų | 130.7 | 89% | 0.891 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -150.9 | 138.9 | 140 | -110.3 | 174 | -171.9 | -179.7 | 0 | 110.2 | ||
| 297 | P | 28.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -91.4 | 145.7 | -145 | 34 | -33.5 | 0 | 0 | 0 | 113 | S299 | P297-S299 PolarHBondContact O-N 2.7Š| ||
| 298 | H | 21.3 | Very low | 30.7 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 93% | 0.926 | 71% | 0.711 | S | S | * | * | trans | -61 | 111.5 | 155.9 | -80.7 | -77.9 | 0 | 0 | 0 | 109.6 | ||||
| 299 | S | 26 | Very low | 29.1 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -117.7 | 109.9 | 155.8 | 61.8 | 0 | 0 | 0 | 0 | 109 | P297 | P297-S299 PolarHBondContact O-N 2.7Š| ||
| 300 | N | 23 | Very low | 27.8 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -43.6 | 148.7 | 156.1 | -70.7 | -38.8 | 0 | 0 | 0 | 111.2 | ||||
| 301 | V | 27.8 | Very low | 26.5 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | 169.8 | 132.5 | 114.4 | 157.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 302 | L | 21.1 | Very low | 25.8 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -46.9 | 136.8 | 163.2 | -66.6 | 129.1 | 0 | 0 | 0 | 112.8 | ||||
| 303 | N | 25.9 | Very low | 25.2 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | 175.5 | 154.8 | 110.2 | -95.7 | -23.8 | 0 | 0 | 0 | 113.1 | |||||
| 304 | S | 21.4 | Very low | 24.7 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | -60.2 | 163 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 305 | S | 21.4 | Very low | 24.3 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | 74.7 | 121.5 | 134.5 | 66.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 306 | V | 24.9 | Very low | 24 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | 94 | 113.4 | 131.1 | 172 | 0 | 0 | 0 | 0 | 118 | ||||
| 307 | Q | 22.1 | Very low | 24.1 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | 59.5 | 125.8 | 137.9 | -70.8 | 177.9 | -52.5 | 0 | 0 | 122.3 | ||||
| 308 | E | 22.6 | Very low | 23.9 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | 63.7 | 119.8 | 125.2 | -68.9 | -174 | 154.4 | 0 | 0 | 121.3 | |||||
| 309 | N | 24.9 | Very low | 23.9 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 65% | 0.647 | 74% | 0.736 | S | S | * | * | 75.7 | 140.5 | 127.4 | -69.4 | -23.4 | 0 | 0 | 0 | 120.1 | |||||
| 310 | N | 25.8 | Very low | 23.7 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 77.5 | 143.3 | 152 | -64.3 | -22.2 | 0 | 0 | 0 | 115.8 | ||||
| 311 | L | 23 | Very low | 23.9 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | cis | -174.7 | 145 | -13.2 | -149.7 | 81.1 | 0 | 0 | 0 | 103.4 | ||||
| 312 | K | 22.7 | Very low | 23.6 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 35.4 | 125.4 | 145.2 | -70.8 | 175.7 | -178.3 | -177.5 | 0 | 120.9 | ||||
| 313 | T | 25.3 | Very low | 23.8 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | -164.4 | 115.5 | 120.5 | 36.2 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 314 | C | 22.8 | Very low | 23.7 | Very low | 106 Ų | 106 | 133 Ų | 133 | 72% | 0.716 | 73% | 0.733 | S | S | * | * | 64.3 | 132 | 93 | -69 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 315 | D | 23.4 | Very low | 23.8 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | cis | -168.9 | 135.1 | 0.4 | -104.4 | -49.6 | 0 | 0 | 0 | 106.9 | ||||
| 316 | T | 21.7 | Very low | 24 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | 41.7 | 109.7 | 121.4 | -30.7 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 317 | V | 30 | Very low | 24 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | -141.3 | 106.5 | 140.9 | -177 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 318 | N | 23.9 | Very low | 24.4 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 32.8 | 120.7 | 143 | -76 | -14 | 0 | 0 | 0 | 120.3 | ||||
| 319 | A | 22.5 | Very low | 24.4 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | 67.7 | 135.1 | 78.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 320 | K | 21.8 | Very low | 24.5 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | 173.3 | -178.7 | 15.1 | -113.6 | -177.2 | 177.9 | -173 | 0 | 104.1 | ||||
| 321 | D | 26.1 | Very low | 24.6 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 90.5 | 100.7 | 173 | -52.5 | -15.5 | 0 | 0 | 0 | 113.3 | ||||
| 322 | E | 22.3 | Very low | 24.8 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | 67.4 | 136.2 | 60 | -68.2 | -164.2 | 170.5 | 0 | 0 | 115.6 | |||||
| 323 | T | 25 | Very low | 24.9 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | 100.2 | 107.9 | 155.4 | 68.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 324 | N | 23.1 | Very low | 24.9 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | 53.8 | 125.3 | 122.5 | -66 | -18.3 | 0 | 0 | 0 | 119.6 | |||||
| 325 | S | 24.6 | Very low | 25.3 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 158.7 | 117.8 | 93.9 | -161.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 326 | S | 25.3 | Very low | 25.5 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | 59.9 | 115.6 | 127.9 | 77.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 327 | R | 24 | Very low | 25.7 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | 110.8 | 101.1 | 76.5 | 178.3 | -177.1 | -176.1 | 176.3 | 1.8 | 108.5 | |||||
| 328 | V | 31 | Very low | 25.5 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -141.9 | 98.4 | 141.5 | -176.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 329 | N | 23.2 | Very low | 25.6 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -115.7 | 162.6 | 160 | -100.3 | -5.9 | 0 | 0 | 0 | 106 | ||||
| 330 | D | 26.9 | Very low | 25.7 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 91.4 | 130.9 | 172.7 | -43.3 | -28.9 | 0 | 0 | 0 | 112.3 | ||||
| 331 | T | 28.1 | Very low | 25.9 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | cis | -173.7 | 133.4 | 14.3 | -7.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 332 | L | 26.3 | Very low | 25.7 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | 179.4 | 76.4 | 150 | -114.6 | 138.3 | 0 | 0 | 0 | 107 | ||||
| 333 | E | 25.6 | Very low | 25.7 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | 56.7 | 111.7 | 90.2 | -115.1 | -177.3 | -169.8 | 0 | 0 | 115.2 | |||||
| 334 | S | 25.6 | Very low | 26.5 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 69.1 | 108.1 | 138.3 | -171.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 335 | V | 31.1 | Very low | 26.4 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | -162.5 | 120.8 | 119.3 | 170 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 336 | H | 28.2 | Very low | 26.4 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | 42.6 | 113.2 | 156.2 | -80.6 | -66.3 | 0 | 0 | 0 | 119.4 | ||||
| 337 | N | 24.9 | Very low | 26.2 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | 33 | 93.6 | 53.6 | -92.5 | 16.1 | 0 | 0 | 0 | 115.4 | |||||
| 338 | D | 25.1 | Very low | 26.1 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 149.6 | 103.4 | 119.1 | -75.6 | -19.3 | 0 | 0 | 0 | 111.3 | |||||
| 339 | L | 27.7 | Very low | 25.8 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | -169 | 107.3 | 128.9 | -132.8 | 67.8 | 0 | 0 | 0 | 112 | |||||
| 340 | C | 23.7 | Very low | 25.8 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 68% | 0.676 | 76% | 0.762 | S | S | * | * | trans | 42.6 | 111.7 | 136.3 | -64.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 341 | Q | 25.5 | Very low | 25.7 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | 82.4 | 102.1 | 100.8 | -73.4 | -173.3 | -9.8 | 0 | 0 | 113.7 | |||||
| 342 | H | 23.1 | Very low | 25.6 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | 57.6 | 109.3 | 83.4 | -89.9 | -42.3 | 0 | 0 | 0 | 116.5 | |||||
| 343 | I | 22.8 | Very low | 25.3 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 79 | 152.4 | 132.1 | -59.6 | 170 | 0 | 0 | 0 | 115.7 | ||||
| 344 | P | 40.3 | Very low | 25.3 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -133.5 | 177.3 | -19.9 | 31.7 | -12.5 | 0 | 0 | 0 | 114.8 | ||||
| 345 | E | 21.8 | Very low | 25.1 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | 11.8 | 130.2 | 133.1 | -51 | 172.9 | 151.7 | 0 | 0 | 119.2 | ||||
| 346 | K | 25.1 | Very low | 24.6 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -163.2 | 110.6 | 141.4 | -104.9 | -178.8 | 179.7 | -175.8 | 0 | 108.1 | ||||
| 347 | E | 21.4 | Very low | 24.5 | Very low | 153 Ų | 153 | 147 Ų | 147 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | 85.8 | 114.1 | 92.1 | -83.3 | -173.5 | 159 | 0 | 0 | 113.7 | |||||
| 348 | V | 21.8 | Very low | 24.4 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | 69.4 | 108.3 | 129.3 | -171.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 349 | F | 23.9 | Very low | 24.4 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | -158 | 135.4 | 103.9 | -134.7 | -94.6 | 0 | 0 | 0 | 112.8 | |||||
| 350 | N | 22 | Very low | 24.2 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -71.3 | 151.2 | -177.5 | -72.4 | -44.8 | 0 | 0 | 0 | 113.1 | ||||
| 351 | G | 25.8 | Very low | 24.1 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -152.5 | 75.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 352 | E | 25 | Very low | 24.1 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 39.8 | 105.2 | 149.1 | -63.7 | 172.6 | 165.3 | 0 | 0 | 118.9 | ||||
| 353 | L | 20.2 | Very low | 24.1 | Very low | 140 Ų | 140 | 145 Ų | 145 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | 48.1 | 93.7 | 79.2 | -87.6 | 149.8 | 0 | 0 | 0 | 115.1 | T355 | L353-T355 HydrophobicContact CD2-CG2 3.87Š| |||
| 354 | H | 25.5 | Very low | 24.2 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | -136 | 118.8 | 127.3 | -94.8 | -60.7 | 0 | 0 | 0 | 110.3 | |||||
| 355 | T | 21.6 | Very low | 23.2 | Very low | 92 Ų | 92 | 149.7 Ų | 149.7 | 56% | 0.564 | 78% | 0.777 | S | S | * | * | trans | -80 | 160.9 | 178.3 | 35.3 | 0 | 0 | 0 | 0 | 112.3 | L353 | L353-T355 HydrophobicContact CD2-CG2 3.87Š| ||
| 356 | E | 21.8 | Very low | 23.3 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 70.7 | 104.8 | 150 | -74 | 166.2 | 179.7 | 0 | 0 | 117.7 | ||||
| 357 | T | 26.3 | Very low | 23.1 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | -163 | 111.3 | 100.3 | 14.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 358 | N | 21.9 | Very low | 23.1 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -66.5 | 138.7 | 161.1 | -167.2 | -2.4 | 0 | 0 | 0 | 108.7 | ||||
| 359 | L | 24.4 | Very low | 23.1 | Very low | 128 Ų | 128 | 146 Ų | 146 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 143 | 127.4 | 138 | -76.3 | 158.4 | 0 | 0 | 0 | 114.7 | ||||
| 360 | Q | 23.6 | Very low | 23 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 72.8 | 104.2 | 142.8 | -68.4 | 164.2 | -18.6 | 0 | 0 | 116.5 | ||||
| 361 | S | 21.8 | Very low | 23 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | 42.9 | 85.5 | 64.4 | -40.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 362 | N | 26 | Very low | 22.9 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -156.8 | 81.4 | 147.8 | -95.1 | -27.4 | 0 | 0 | 0 | 110.1 | L364 | N362-L364 PolarHBondContact O-N 3.09Š| ||
| 363 | N | 23.5 | Very low | 22.8 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 92% | 0.92 | 76% | 0.757 | S | S | * | * | trans | -68.8 | 104.4 | 148 | -92.2 | -41.2 | 0 | 0 | 0 | 107.5 | ||||
| 364 | L | 23.9 | Very low | 23.1 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -110.7 | 100.7 | 163.4 | -82.2 | 166.2 | 0 | 0 | 0 | 109.1 | N362 | N362-L364 PolarHBondContact O-N 3.09Š| ||
| 365 | K | 20.9 | Very low | 23 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -52.3 | 139.8 | 141.9 | -78.6 | 173.2 | 172.9 | 175.2 | 0 | 107.7 | ||||
| 366 | V | 22.6 | Very low | 23.1 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -164.1 | 126.6 | 124.6 | 157.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 367 | Q | 21.2 | Very low | 23.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -52.4 | 144.7 | 165.1 | -131.4 | 95.5 | -2.7 | 0 | 0 | 113 | ||||
| 368 | S | 21.8 | Very low | 23.3 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 19.1 | 105.1 | 140.3 | 63.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 369 | I | 22.1 | Very low | 23.6 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -145.4 | 101.8 | 151.2 | -62.4 | -174.8 | 0 | 0 | 0 | 104.3 | ||||
| 370 | I | 21.7 | Very low | 23.6 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | 64.3 | 125.1 | 94.8 | -68.3 | 174.9 | 0 | 0 | 0 | 113 | |||||
| 371 | D | 21.5 | Very low | 23.4 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 60% | 0.599 | 76% | 0.76 | S | S | * | * | trans | 118.9 | 116.9 | 141.1 | -87.6 | -14.9 | 0 | 0 | 0 | 120.4 | ||||
| 372 | K | 22.8 | Very low | 23.6 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 74% | 0.735 | 76% | 0.758 | S | S | * | * | 75.2 | 112.7 | 123.5 | -71.2 | 167.2 | -174.3 | 150.7 | 0 | 120.4 | |||||
| 373 | S | 24.6 | Very low | 23.5 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | -179.4 | 125.8 | 129.3 | 21 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 374 | L | 25.5 | Very low | 23.6 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | cis | -165.3 | 140.4 | 33 | -94.1 | 140.1 | 0 | 0 | 0 | 109.4 | ||||
| 375 | S | 22.9 | Very low | 23.7 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | trans | 26.1 | 138.4 | 138 | 63.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 376 | H | 25.5 | Very low | 23.9 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | cis | -177.8 | -170.8 | 39.6 | -127.7 | -21 | 0 | 0 | 0 | 109 | ||||
| 377 | P | 31.7 | Very low | 24.1 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | -127.9 | -177.8 | -124.6 | 46.8 | -30.2 | 0 | 0 | 0 | 117.6 | |||||
| 378 | V | 19.7 | Very low | 24.2 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | trans | 58.9 | 122.2 | 152.9 | -160.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 379 | Q | 27.8 | Very low | 24.5 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | 159.2 | 113.9 | 126.3 | -88.2 | 178 | -20.2 | 0 | 0 | 110.5 | |||||
| 380 | Q | 24.4 | Very low | 24.7 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | 60.6 | 107.5 | 102.8 | -88 | 179.9 | -22.8 | 0 | 0 | 114.3 | |||||
| 381 | L | 20.3 | Very low | 24.8 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 93% | 0.932 | 74% | 0.739 | S | S | * | * | 66.8 | 118.4 | 81.3 | -86.4 | 164.2 | 0 | 0 | 0 | 115.5 | |||||
| 382 | G | 25.7 | Very low | 24.8 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | 146.9 | 75.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 383 | A | 23.1 | Very low | 24.7 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | 56 | 103.8 | 80.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 384 | Q | 26.1 | Very low | 24.6 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | 167.2 | 145.2 | 115.3 | -91 | 177.8 | 0.2 | 0 | 0 | 113.9 | |||||
| 385 | N | 27 | Very low | 24.5 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | trans | 81.3 | 99.9 | 158.2 | -62.7 | -18.5 | 0 | 0 | 0 | 118.7 | ||||
| 386 | L | 24.9 | Very low | 24.4 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | 73.8 | 132.9 | 77 | -91.7 | 106.3 | 0 | 0 | 0 | 111.5 | |||||
| 387 | Q | 25.3 | Very low | 24.2 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -178 | 153.5 | -6.2 | -126 | 179.9 | 11.6 | 0 | 0 | 105.9 | ||||
| 388 | H | 24.7 | Very low | 23.9 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 63% | 0.634 | 76% | 0.758 | S | S | * | * | trans | 65 | 114.1 | 151.6 | -70.7 | -64 | 0 | 0 | 0 | 121.5 | ||||
| 389 | L | 26.8 | Very low | 23.9 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | 161.5 | 96.4 | 105 | -94.2 | 131.1 | 0 | 0 | 0 | 108 | |||||
| 390 | N | 26.1 | Very low | 23.7 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | 59.8 | 102.9 | 96.4 | -85.7 | -6.3 | 0 | 0 | 0 | 115.9 | |||||
| 391 | H | 23.9 | Very low | 23.7 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | 50.1 | 146.2 | 122.4 | -70.9 | -49.1 | 0 | 0 | 0 | 122.6 | |||||
| 392 | S | 22.4 | Very low | 23.8 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 90.3 | 97.2 | 159.2 | -137.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 393 | S | 20.9 | Very low | 23.7 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | 63 | 121.7 | 74.1 | 84.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 394 | T | 23.2 | Very low | 23.7 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | 86.5 | 133.4 | 146.7 | -6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 395 | M | 22 | Very low | 23.7 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | trans | 94.3 | 107.3 | 146.9 | -70.6 | -65.2 | 144.1 | 0 | 0 | 120.5 | ||||
| 396 | R | 21.2 | Very low | 24.3 | Very low | 220 Ų | 220 | 145.1 Ų | 145.1 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | 58.7 | 120.5 | 121.7 | -100.6 | 179.4 | 179.1 | 167 | -1.1 | 120.4 | |||||
| 397 | K | 22.2 | Very low | 24.4 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | 12.5 | 120.2 | 133.7 | -68.2 | -177.9 | 176.2 | -178.4 | 0 | 116.7 | ||||
| 398 | Q | 23.9 | Very low | 24.6 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | -179 | 151.2 | 109 | -100.3 | 172.7 | -4.3 | 0 | 0 | 112.8 | |||||
| 399 | S | 21 | Very low | 24.7 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -55.6 | 154.8 | 169.2 | 50.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 400 | I | 23.7 | Very low | 24.6 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | 157.2 | 107.9 | 137.8 | -84.6 | 160.7 | 0 | 0 | 0 | 108.1 | ||||
| 401 | V | 23.6 | Very low | 24.5 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 65% | 0.648 | 76% | 0.759 | S | S | * | * | 106.2 | 138.6 | 87.5 | 163 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 402 | D | 22.9 | Very low | 24.4 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 71.1 | 144.4 | 158.3 | -72.6 | -12.8 | 0 | 0 | 0 | 119.3 | ||||
| 403 | R | 22.7 | Very low | 24.5 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | cis | -170 | 155.6 | 17.6 | -128.7 | 173.9 | 174.7 | 170 | 0.5 | 111.3 | ||||
| 404 | N | 23.9 | Very low | 24.6 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | trans | 84.1 | 112.1 | 140.5 | -73.3 | -12.9 | 0 | 0 | 0 | 124.5 | ||||
| 405 | Q | 26.4 | Very low | 24.7 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | 67.8 | 164 | 121.5 | -74.1 | -162.7 | 10.7 | 0 | 0 | 121.8 | |||||
| 406 | P | 39.5 | Very low | 25.6 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -136.2 | 175.6 | -22.1 | 31.6 | -11 | 0 | 0 | 0 | 114.9 | ||||
| 407 | G | 26.7 | Very low | 25.7 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | 136.3 | 131.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 408 | T | 29 | Very low | 25.6 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 102.7 | 132.3 | 154.9 | 73.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 409 | S | 26.2 | Very low | 25.5 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 80.6 | 111 | 148 | 75.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 410 | T | 25.8 | Very low | 25.4 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 0.4 | 136.1 | 144.6 | 51.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 411 | K | 23.2 | Very low | 25.4 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | 80 | 108.7 | 137.6 | -77.3 | -176.4 | 179.8 | 176.8 | 0 | 121.3 | ||||
| 412 | S | 22.7 | Very low | 25.3 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 109.5 | 120.8 | 115.7 | 70.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 413 | K | 24 | Very low | 25.2 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | 80.2 | 93 | 145.5 | -74 | -177.1 | 178.7 | -178.3 | 0 | 120.4 | ||||
| 414 | S | 23.3 | Very low | 25.1 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | 61.7 | 104.6 | 104.3 | 73.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 415 | I | 24.2 | Very low | 25 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | 70.3 | 170.6 | 129.1 | -15.6 | 167.5 | 0 | 0 | 0 | 119.3 | |||||
| 416 | P | 42.1 | Very low | 24.9 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | -127.8 | -175.8 | -107.6 | 44.5 | -25.7 | 0 | 0 | 0 | 114.9 | |||||
| 417 | G | 22.3 | Very low | 24.2 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 85.6 | 115.9 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 418 | R | 19.9 | Very low | 23.8 | Very low | 232 Ų | 232 | 140.5 Ų | 140.5 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | 52.4 | 135.4 | 117.6 | -173 | 169.2 | -150.7 | -134.8 | 9.7 | 121.1 | |||||
| 419 | L | 21.7 | Very low | 23.6 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | 98.9 | 104.2 | 157.4 | -76.1 | 149.9 | 0 | 0 | 0 | 119.5 | ||||
| 420 | S | 20.3 | Very low | 23.5 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | 37.5 | 138.6 | 120 | 70.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 421 | H | 22.7 | Very low | 23.3 | Very low | 166 Ų | 166 | 145 Ų | 145 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 87.4 | 130.7 | 140.5 | -83 | -56.2 | 0 | 0 | 0 | 120.6 | ||||
| 422 | K | 21.7 | Very low | 23.3 | Very low | 179 Ų | 179 | 143 Ų | 143 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | trans | 81.2 | 137.8 | 141.5 | -79.3 | 175.7 | -179.5 | -177.8 | 0 | 115.6 | ||||
| 423 | T | 19.9 | Very low | 23.4 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -176.9 | 176.2 | -7.6 | 13.2 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 424 | S | 21.6 | Very low | 23.6 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | 96.9 | 89.5 | 152.3 | -44.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 425 | T | 20.9 | Very low | 23.7 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | 61.5 | 120.3 | 82.4 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 426 | E | 24.7 | Very low | 23.8 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | -166.5 | 118.9 | 116.2 | -100.3 | -176.6 | 153.7 | 0 | 0 | 109.9 | |||||
| 427 | K | 24.5 | Very low | 23 | Very low | 163 Ų | 163 | 150 Ų | 150 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | 71.5 | 106.1 | 115.1 | -73.4 | 174.1 | -175.6 | 157.7 | 0 | 113.3 | |||||
| 428 | K | 20 | Very low | 23.3 | Very low | 203 Ų | 203 | 152.7 Ų | 152.7 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | 33.9 | 98.2 | 79.8 | -86.7 | -169.6 | 177.2 | 179.5 | 0 | 112.7 | |||||
| 429 | T | 23.4 | Very low | 23.4 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -173.8 | 118.7 | 133.2 | 20.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 430 | K | 23.9 | Very low | 23.6 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | 66.2 | 107.3 | 112.3 | -77 | -173.4 | 174.4 | -176.8 | 0 | 114.6 | |||||
| 431 | Q | 21.9 | Very low | 23.8 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | 73 | 134.6 | 121.4 | -132.8 | 172 | -5.1 | 0 | 0 | 118.1 | |||||
| 432 | E | 24 | Very low | 23.9 | Very low | 154 Ų | 154 | 147 Ų | 147 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 100.9 | 111 | 155 | -57.5 | -167.6 | 161.3 | 0 | 0 | 119.7 | ||||
| 433 | N | 25.4 | Very low | 24 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | 80.6 | 114.3 | 130 | -66.7 | -21.2 | 0 | 0 | 0 | 121.8 | |||||
| 434 | S | 26.7 | Very low | 24.3 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 79 | 93.9 | 144.8 | 84.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 435 | R | 26.9 | Very low | 24.5 | Very low | 241 Ų | 241 | 151.6 Ų | 151.6 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | 176.8 | 124.9 | 89 | -88.9 | 173.8 | -180 | 174.4 | 0.4 | 107.7 | |||||
| 436 | K | 24.9 | Very low | 24.8 | Very low | 207 Ų | 207 | 152 Ų | 152 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | trans | -62.3 | 126.6 | -171.6 | -70 | 171.3 | 173.3 | 177.4 | 0 | 111.9 | ||||
| 437 | S | 25.8 | Very low | 24.8 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -137.8 | 122.5 | 150.7 | -177.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 438 | T | 28.1 | Very low | 24.9 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -108.1 | 140.9 | -150.2 | -25.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 439 | S | 21.9 | Very low | 25.2 | Very low | 87 Ų | 87 | 151.1 Ų | 151.1 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 171.3 | 165.7 | 64.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 440 | N | 26 | Very low | 25.4 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | 87 | 124.6 | 156.2 | -62.4 | -7.3 | 0 | 0 | 0 | 118.4 | ||||
| 441 | G | 24.9 | Very low | 25.5 | Very low | 68 Ų | 68 | 150.8 Ų | 150.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | 101.5 | 75.7 | 115.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V443 | G441-V443 PolarHBondContact O-N 3.38Å; G441-V443 VanDerWaalsContact O-N 3.1Å | |||
| 442 | L | 24.3 | Very low | 25.6 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 96% | 0.963 | 79% | 0.792 | S | S | * | * | trans | -32 | 101.8 | 153.1 | -76.8 | 132 | 0 | 0 | 0 | 113.6 | ||||
| 443 | V | 25.1 | Very low | 25.7 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -147.4 | 127.3 | 158.5 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | G441 | G441-V443 PolarHBondContact O-N 3.38Å; G441-V443 VanDerWaalsContact O-N 3.1Å | ||
| 444 | N | 25.3 | Very low | 25.9 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 37.6 | 108.2 | 161.8 | -79.6 | -10.5 | 0 | 0 | 0 | 120 | N446 | N444-N446 PolarHBondContact O-N 3.21Š| ||
| 445 | F | 25.9 | Very low | 25.8 | Very low | 218 Ų | 218 | 152.7 Ų | 152.7 | 96% | 0.956 | 80% | 0.796 | S | S | * | * | trans | -84.8 | 96.4 | 148.6 | -86.7 | -84.7 | 0 | 0 | 0 | 109.3 | ||||
| 446 | N | 26.4 | Very low | 26 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | -80.6 | 143.1 | 155.9 | -100.1 | -21 | 0 | 0 | 0 | 109.6 | N444 | N444-N446 PolarHBondContact O-N 3.21Š| ||
| 447 | N | 25.9 | Very low | 26.2 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -27 | 132.8 | 157.7 | -65.3 | -38.5 | 0 | 0 | 0 | 114.8 | ||||
| 448 | E | 26 | Very low | 26.1 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | -168.1 | 120.5 | 117.6 | -106.2 | 172.8 | -171.8 | 0 | 0 | 112 | |||||
| 449 | L | 26.2 | Very low | 26.2 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | 13.2 | 111.5 | 144.3 | -69.4 | 154.2 | 0 | 0 | 0 | 118.1 | ||||
| 450 | I | 28.8 | Very low | 26.2 | Very low | 160 Ų | 160 | 150 Ų | 150 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | trans | -96.6 | 95.4 | 155.9 | -64 | 176.4 | 0 | 0 | 0 | 107.8 | Q452 | I450-Q452 HydrophobicContact CG2-CB 4.29Š| ||
| 451 | D | 24.3 | Very low | 26.4 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -78.6 | 116.5 | 135.1 | 175 | 19.4 | 0 | 0 | 0 | 106.7 | ||||
| 452 | Q | 25.8 | Very low | 26.5 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 64% | 0.64 | 80% | 0.797 | S | S | * | * | trans | -166.8 | 93.1 | 152.7 | -109.7 | 169.5 | 60.8 | 0 | 0 | 110.8 | I450 K454 | I450-Q452 HydrophobicContact CG2-CB 4.29Å; Q452-K454 PolarHBondContact O-N 2.9Å | ||
| 453 | S | 25.1 | Very low | 26.5 | Very low | 95 Ų | 95 | 151.8 Ų | 151.8 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -26.3 | 117.5 | 133.2 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 454 | K | 30 | Very low | 26.8 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -136.3 | 91.5 | 154.6 | -77 | -176.3 | 179.9 | 171.7 | 0 | 107 | Q452 | Q452-K454 PolarHBondContact O-N 2.9Š| ||
| 455 | K | 25.1 | Very low | 26.9 | Very low | 201 Ų | 201 | 151.1 Ų | 151.1 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | 51.8 | 96.9 | 97.6 | -72.1 | -172.8 | 179.4 | 179.2 | 0 | 112.8 | |||||
| 456 | I | 31.1 | Very low | 27 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -120.5 | 138.4 | 153.9 | -63.9 | 178.9 | 0 | 0 | 0 | 105.7 | ||||
| 457 | P | 28 | Very low | 27.2 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -86.5 | 154.4 | -137.3 | 32.1 | -34.3 | 0 | 0 | 0 | 115.4 | ||||
| 458 | V | 24.4 | Very low | 27.4 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -67.9 | 124.8 | 167.6 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | M460 | V458-M460 HydrophobicContact CG1-CG 3.96Š| ||
| 459 | T | 30 | Very low | 27.7 | Very low | 142 Ų | 142 | 148 Ų | 148 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | -126.8 | 109.6 | 146.7 | 44.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 460 | M | 21.6 | Very low | 28.3 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -67.5 | 130.9 | 172.1 | -75.4 | -110.5 | -106.8 | 0 | 0 | 110.6 | V458 | V458-M460 HydrophobicContact CG1-CG 3.96Š| ||
| 461 | A | 30.7 | Very low | 28.8 | Very low | 88 Ų | 88 | 147.2 Ų | 147.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -150.7 | 97.4 | 154 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 462 | T | 27.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 51.8 | 115.9 | 138.6 | 58.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 463 | Y | 24.3 | Very low | 31.1 | Very low | 234 Ų | 234 | 146.2 Ų | 146.2 | 92% | 0.918 | 79% | 0.789 | S | S | * | * | trans | -45.5 | 140.3 | 154.5 | -61.4 | -91 | 0 | 0 | 0 | 113.9 | ||||
| 464 | P | 31.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -114.5 | 143.2 | 132.3 | 33.8 | -25.9 | 0 | 0 | 0 | 111 | ||||
| 465 | T | 26.3 | Very low | 34 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -73.8 | 159 | -176.6 | -4.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 466 | S | 28.2 | Very low | 36 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 58.4 | 101.8 | 150.9 | 61.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 467 | N | 31 | Very low | 37.9 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | -159.2 | 129.1 | 114.6 | -110.2 | -16.7 | 0 | 0 | 0 | 111.4 | Q469 | N467-Q469 PolarHBondContact O-N 3.28Š| |||
| 468 | I | 30.6 | Very low | 40.2 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | -65.3 | 118 | 172.6 | -66.4 | 161.4 | 0 | 0 | 0 | 107.8 | ||||
| 469 | Q | 32.4 | Very low | 42.7 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -140.5 | 98 | 154 | -98.8 | 170.7 | 1.7 | 0 | 0 | 108 | N467 N471 | N467-Q469 PolarHBondContact O-N 3.28Å; Q469-N471 VanDerWaalsContact C-N 3.28Å; Q469-N471 PolarHBondContact O-N 3.05Å | ||
| 470 | L | 38.3 | Very low | 45 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | trans | -58.1 | 95.7 | 156.6 | -76.3 | 162.1 | 0 | 0 | 0 | 107.1 | ||||
| 471 | N | 38.6 | Very low | 47.7 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | trans | 174.1 | 88.5 | 161.9 | -91.4 | -22.3 | 0 | 0 | 0 | 109 | Q469 | Q469-N471 VanDerWaalsContact C-N 3.28Å; Q469-N471 PolarHBondContact O-N 3.05Å | ||
| 472 | D | 48.6 | Very low | 50.1 | Low | 87 Ų | 87 | 134.6 Ų | 134.6 | 47% | 0.465 | 69% | 0.687 | S | S | . | * | trans | -159.3 | 70.5 | 145.7 | -142.3 | 4.5 | 0 | 0 | 0 | 113.8 | R474 N475 | D472-R474 PolarHBondContact O-N 3.14Å; D472-R474 WeakPolarHBondContact OD1-CB 3.49Å; D472-R474 PolarHBondContact OD1-N 3.37Å; D472-N475 PolarHBondContact O-N 2.95Å; D472-N475 PolarHBondContact OD2-ND2 2.88Å | ||
| 473 | H | 49.6 | Very low | 52.7 | Low | 164 Ų | 164 | 133.8 Ų | 133.8 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -50.8 | -15.8 | 161.8 | -91.9 | -47.9 | 0 | 0 | 0 | 113.1 | M477 | H473-M477 VanDerWaalsContact O-CB 3.26Å; H473-M477 WeakPolarHBondContact O-CB 3.37Å; H473-M477 WeakPolarHBondContact O-CG 3.34Å; H473-M477 PolarHBondContact O-N 3.01Å |
| 474 | R | 58.1 | Low | 55.5 | Low | 182 Ų | 182 | 126.5 Ų | 126.5 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.1 | -30.4 | -176.1 | -142.3 | 176.5 | -172.6 | -161.5 | 2.6 | 113.3 | D472 K478 | D472-R474 PolarHBondContact O-N 3.14Å; D472-R474 WeakPolarHBondContact OD1-CB 3.49Å; D472-R474 PolarHBondContact OD1-N 3.37Å; R474-K478 VanDerWaalsContact O-CG 3.26Å; R474-K478 WeakPolarHBondContact O-CG 3.03Å; R474-K478 PolarHBondContact O-N 2.99Å |
| 475 | N | 58.8 | Low | 58.1 | Low | 82 Ų | 82 | 127.9 Ų | 127.9 | 44% | 0.439 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -82.3 | -35.6 | 178.2 | -73.5 | -26.1 | 0 | 0 | 0 | 112.2 | D472 K478 T479 | D472-N475 PolarHBondContact O-N 2.95Å; D472-N475 PolarHBondContact OD2-ND2 2.88Å; N475-K478 PolarHBondContact O-N 3.37Å; N475-T479 PolarHBondContact O-N 3.17Å; N475-T479 PolarHBondContact O-OG1 2.92Å |
| 476 | D | 66.6 | Low | 60.9 | Low | 117 Ų | 117 | 126.9 Ų | 126.9 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.6 | -42.1 | 169.6 | -69.9 | -16.7 | 0 | 0 | 0 | 110.9 | K478 T479 M480 | D476-K478 PolarHBondContact O-N 3.47Å; D476-T479 PolarHBondContact O-N 3.06Å; D476-M480 WeakPolarHBondContact O-CB 3.45Å; D476-M480 PolarHBondContact O-N 2.74Å |
| 477 | M | 70.9 | Confident | 63.8 | Low | 105 Ų | 105 | 128 Ų | 128 | 52% | 0.517 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.5 | -37.6 | 175.2 | -80.2 | -70.9 | 170.6 | 0 | 0 | 113.3 | H473 N481 | H473-M477 VanDerWaalsContact O-CB 3.26Å; H473-M477 WeakPolarHBondContact O-CB 3.37Å; H473-M477 WeakPolarHBondContact O-CG 3.34Å; H473-M477 PolarHBondContact O-N 3.01Å; M477-N481 VanDerWaalsContact O-CB 3.27Å; M477-N481 WeakPolarHBondContact O-CB 3.1Å; M477-N481 VanDerWaalsContact O-CG 3.29Å; M477-N481 PolarHBondContact O-N 3.44Å; M477-N481 PolarHBondContact O-ND2 3.22Å |
| 478 | K | 75.5 | Confident | 66.4 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.6 | -42.3 | 173.2 | -79.4 | 172.2 | -176.3 | 173.7 | 0 | 111.6 | R474 N475 D476 K482 | R474-K478 VanDerWaalsContact O-CG 3.26Å; R474-K478 WeakPolarHBondContact O-CG 3.03Å; R474-K478 PolarHBondContact O-N 2.99Å; N475-K478 PolarHBondContact O-N 3.37Å; D476-K478 PolarHBondContact O-N 3.47Å; K478-K482 WeakPolarHBondContact O-CB 3.46Å; K478-K482 PolarHBondContact O-N 3.47Å |
| 479 | T | 76.7 | Confident | 69.1 | Low | 83 Ų | 83 | 121.6 Ų | 121.6 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.4 | -44.1 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | N475 D476 K482 I483 | N475-T479 PolarHBondContact O-N 3.17Å; N475-T479 PolarHBondContact O-OG1 2.92Å; D476-T479 PolarHBondContact O-N 3.06Å; T479-K482 PolarHBondContact O-N 3.47Å; T479-I483 HydrophobicContact CG2-CD1 4.27Å; T479-I483 WeakPolarHBondContact O-CG1 3.49Å; T479-I483 PolarHBondContact O-N 3.39Å |
| 480 | M | 78.4 | Confident | 71.7 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.5 | -45.8 | 175.9 | -168.9 | 169.3 | -159.5 | 0 | 0 | 112.2 | D476 K482 I483 L484 | D476-M480 WeakPolarHBondContact O-CB 3.45Å; D476-M480 PolarHBondContact O-N 2.74Å; M480-K482 VanDerWaalsContact C-N 3.3Å; M480-K482 PolarHBondContact O-N 3.04Å; M480-I483 PolarHBondContact O-N 3.48Å; M480-L484 HydrophobicContact CG-CD1 4.24Å; M480-L484 WeakPolarHBondContact O-CB 3.18Å; M480-L484 WeakPolarHBondContact O-CG 3.45Å; M480-L484 PolarHBondContact O-N 2.95Å |
| 481 | N | 78.2 | Confident | 74 | Confident | 98 Ų | 98 | 115.1 Ų | 115.1 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 176.3 | -79.6 | -30.7 | 0 | 0 | 0 | 112.6 | M477 L484 Y485 | M477-N481 VanDerWaalsContact O-CB 3.27Å; M477-N481 WeakPolarHBondContact O-CB 3.1Å; M477-N481 VanDerWaalsContact O-CG 3.29Å; M477-N481 PolarHBondContact O-N 3.44Å; M477-N481 PolarHBondContact O-ND2 3.22Å; N481-L484 PolarHBondContact O-N 2.92Å; N481-Y485 WeakPolarHBondContact O-CB 3.38Å; N481-Y485 PolarHBondContact O-N 3.42Å |
| 482 | K | 81.8 | Confident | 76.3 | Confident | 134 Ų | 134 | 111.1 Ų | 111.1 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.8 | -43.2 | 176.3 | -166.3 | 175.4 | -179.8 | -175.1 | 0 | 111.7 | K478 T479 M480 Y485 E486 | K478-K482 WeakPolarHBondContact O-CB 3.46Å; K478-K482 PolarHBondContact O-N 3.47Å; T479-K482 PolarHBondContact O-N 3.47Å; M480-K482 VanDerWaalsContact C-N 3.3Å; M480-K482 PolarHBondContact O-N 3.04Å; K482-Y485 PolarHBondContact O-N 3.46Å; K482-E486 WeakPolarHBondContact O-CG 3.4Å; K482-E486 PolarHBondContact O-N 3.44Å |
| 483 | I | 81.9 | Confident | 78.1 | Confident | 108 Ų | 108 | 114.6 Ų | 114.6 | 55% | 0.554 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 174.3 | -66.6 | 169.3 | 0 | 0 | 0 | 110.9 | T479 M480 E486 F487 | T479-I483 HydrophobicContact CG2-CD1 4.27Å; T479-I483 WeakPolarHBondContact O-CG1 3.49Å; T479-I483 PolarHBondContact O-N 3.39Å; M480-I483 PolarHBondContact O-N 3.48Å; I483-E486 PolarHBondContact O-N 2.94Å; I483-F487 VanDerWaalsContact O-CB 3.23Å; I483-F487 WeakPolarHBondContact O-CB 3.15Å; I483-F487 PolarHBondContact O-N 3.4Å |
| 484 | L | 83.8 | Confident | 79.7 | Confident | 82 Ų | 82 | 115 Ų | 115 | 43% | 0.429 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.3 | -74.5 | 169.5 | 0 | 0 | 0 | 112 | M480 N481 F487 D488 | M480-L484 HydrophobicContact CG-CD1 4.24Å; M480-L484 WeakPolarHBondContact O-CB 3.18Å; M480-L484 WeakPolarHBondContact O-CG 3.45Å; M480-L484 PolarHBondContact O-N 2.95Å; N481-L484 PolarHBondContact O-N 2.92Å; L484-F487 WeakPolarHBondContact O-CB 3.38Å; L484-F487 PolarHBondContact O-N 3.31Å; L484-D488 PolarHBondContact O-N 3.01Å |
| 485 | Y | 85.9 | Confident | 81.1 | Confident | 150 Ų | 150 | 113.7 Ų | 113.7 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 177.6 | -178.5 | -111 | 0 | 0 | 0 | 112.7 | N481 K482 D488 Q489 | N481-Y485 WeakPolarHBondContact O-CB 3.38Å; N481-Y485 PolarHBondContact O-N 3.42Å; K482-Y485 PolarHBondContact O-N 3.46Å; Y485-D488 PolarHBondContact O-N 3.28Å; Y485-Q489 HydrophobicContact CE1-CG 4.49Å; Y485-Q489 VanDerWaalsContact CZ-NE2 3.32Å; Y485-Q489 PolarHBondContact O-N 3.06Å |
| 486 | E | 85.9 | Confident | 82.5 | Confident | 108 Ų | 108 | 116.4 Ų | 116.4 | 51% | 0.505 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 173.5 | -73.7 | 177 | -169.9 | 0 | 0 | 111.4 | K482 I483 Q489 E490 | K482-E486 WeakPolarHBondContact O-CG 3.4Å; K482-E486 PolarHBondContact O-N 3.44Å; I483-E486 PolarHBondContact O-N 2.94Å; E486-Q489 PolarHBondContact O-N 2.91Å; E486-E490 VanDerWaalsContact O-CB 3.3Å; E486-E490 WeakPolarHBondContact O-CB 3.41Å; E486-E490 PolarHBondContact O-N 2.88Å |
| 487 | F | 87.4 | Confident | 83.3 | Confident | 129 Ų | 129 | 114.4 Ų | 114.4 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 174.2 | -178.9 | -99.3 | 0 | 0 | 0 | 112.3 | I483 L484 E490 K491 | I483-F487 VanDerWaalsContact O-CB 3.23Å; I483-F487 WeakPolarHBondContact O-CB 3.15Å; I483-F487 PolarHBondContact O-N 3.4Å; L484-F487 WeakPolarHBondContact O-CB 3.38Å; L484-F487 PolarHBondContact O-N 3.31Å; F487-E490 PolarHBondContact O-N 2.9Å; F487-K491 VanDerWaalsContact O-CB 3.28Å; F487-K491 WeakPolarHBondContact O-CB 3.43Å; F487-K491 PolarHBondContact O-N 2.93Å |
| 488 | D | 86.3 | Confident | 84.2 | Confident | 90 Ų | 90 | 116 Ų | 116 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 177.2 | -80.1 | -25.6 | 0 | 0 | 0 | 112.6 | L484 Y485 S492 | L484-D488 PolarHBondContact O-N 3.01Å; Y485-D488 PolarHBondContact O-N 3.28Å; D488-S492 WeakPolarHBondContact O-CB 3.44Å; D488-S492 PolarHBondContact O-N 3.48Å; D488-S492 PolarHBondContact O-OG 3.3Å |
| 489 | Q | 86.8 | Confident | 84.8 | Confident | 97 Ų | 97 | 115 Ų | 115 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 172.1 | -81.4 | -166.6 | 78.8 | 0 | 0 | 111.8 | Y485 E486 S492 R493 | Y485-Q489 HydrophobicContact CE1-CG 4.49Å; Y485-Q489 VanDerWaalsContact CZ-NE2 3.32Å; Y485-Q489 PolarHBondContact O-N 3.06Å; E486-Q489 PolarHBondContact O-N 2.91Å; Q489-S492 PolarHBondContact O-N 3.49Å; Q489-R493 PolarHBondContact O-N 3Å |
| 490 | E | 86.7 | Confident | 85.3 | Confident | 73 Ų | 73 | 116.3 Ų | 116.3 | 34% | 0.341 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 178.1 | -172.8 | 56.2 | -154.6 | 0 | 0 | 111.2 | E486 F487 S492 R493 R494 | E486-E490 VanDerWaalsContact O-CB 3.3Å; E486-E490 WeakPolarHBondContact O-CB 3.41Å; E486-E490 PolarHBondContact O-N 2.88Å; F487-E490 PolarHBondContact O-N 2.9Å; E490-S492 VanDerWaalsContact C-N 3.33Å; E490-S492 PolarHBondContact O-N 2.92Å; E490-R493 PolarHBondContact O-N 3.21Å; E490-R493 IonicContact OE1-NH2 4Å; E490-R493 IonicContact OE2-CZ 3.6Å; E490-R493 IonicContact OE2-NE 3.36Å; E490-R493 PolarHBondContact OE2-NE 3.42Å; E490-R493 IonicContact OE2-NH2 3.62Å; E490-R494 WeakPolarHBondContact O-CB 3.34Å; E490-R494 PolarHBondContact O-N 3.25Å |
| 491 | K | 87.8 | Confident | 85.6 | Confident | 137 Ų | 137 | 114.4 Ų | 114.4 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 171.9 | -173.4 | 178.4 | -178.4 | -179.7 | 0 | 111.8 | F487 R494 K495 | F487-K491 VanDerWaalsContact O-CB 3.28Å; F487-K491 WeakPolarHBondContact O-CB 3.43Å; F487-K491 PolarHBondContact O-N 2.93Å; K491-R494 PolarHBondContact O-N 2.85Å; K491-K495 WeakPolarHBondContact O-CB 3.49Å; K491-K495 PolarHBondContact O-N 2.87Å |
| 492 | S | 86.3 | Confident | 86.1 | Confident | 70 Ų | 70 | 114 Ų | 114 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177.3 | -62.3 | 0 | 0 | 0 | 0 | 112 | D488 Q489 E490 K495 Q496 | D488-S492 WeakPolarHBondContact O-CB 3.44Å; D488-S492 PolarHBondContact O-N 3.48Å; D488-S492 PolarHBondContact O-OG 3.3Å; Q489-S492 PolarHBondContact O-N 3.49Å; E490-S492 VanDerWaalsContact C-N 3.33Å; E490-S492 PolarHBondContact O-N 2.92Å; S492-K495 PolarHBondContact O-N 3.47Å; S492-Q496 WeakPolarHBondContact O-CG 3.3Å; S492-Q496 PolarHBondContact O-N 2.85Å |
| 493 | R | 85.9 | Confident | 86.4 | Confident | 161 Ų | 161 | 111.4 Ų | 111.4 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -45.1 | 173.2 | -85 | 178 | 35.9 | 155.4 | -5 | 112.4 | Q489 E490 K495 Q496 S497 | Q489-R493 PolarHBondContact O-N 3Å; E490-R493 PolarHBondContact O-N 3.21Å; E490-R493 IonicContact OE1-NH2 4Å; E490-R493 IonicContact OE2-CZ 3.6Å; E490-R493 IonicContact OE2-NE 3.36Å; E490-R493 PolarHBondContact OE2-NE 3.42Å; E490-R493 IonicContact OE2-NH2 3.62Å; R493-K495 VanDerWaalsContact C-N 3.34Å; R493-K495 PolarHBondContact O-N 3Å; R493-Q496 PolarHBondContact O-N 3.36Å; R493-S497 WeakPolarHBondContact O-CB 3.42Å; R493-S497 PolarHBondContact O-N 3.45Å |
| 494 | R | 84.3 | Confident | 86.7 | Confident | 173 Ų | 173 | 110.9 Ų | 110.9 | 65% | 0.653 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 177 | -114.8 | -176.7 | 174.5 | 113.6 | -5.4 | 111.1 | E490 K491 Q496 S497 E498 | E490-R494 WeakPolarHBondContact O-CB 3.34Å; E490-R494 PolarHBondContact O-N 3.25Å; K491-R494 PolarHBondContact O-N 2.85Å; R494-Q496 VanDerWaalsContact C-N 3.35Å; R494-Q496 PolarHBondContact O-N 2.8Å; R494-S497 PolarHBondContact O-N 3.36Å; R494-E498 VanDerWaalsContact O-CB 3.28Å; R494-E498 WeakPolarHBondContact O-CB 3.44Å; R494-E498 PolarHBondContact O-N 3.28Å |
| 495 | K | 88 | Confident | 86.9 | Confident | 153 Ų | 153 | 110.2 Ų | 110.2 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 177.3 | -172.1 | 175.7 | -178 | 179.4 | 0 | 112.5 | K491 S492 R493 Q499 | K491-K495 WeakPolarHBondContact O-CB 3.49Å; K491-K495 PolarHBondContact O-N 2.87Å; S492-K495 PolarHBondContact O-N 3.47Å; R493-K495 VanDerWaalsContact C-N 3.34Å; R493-K495 PolarHBondContact O-N 3Å; K495-Q499 WeakPolarHBondContact O-CB 3.21Å; K495-Q499 PolarHBondContact O-N 2.8Å |
| 496 | Q | 87.5 | Confident | 86.9 | Confident | 140 Ų | 140 | 105.7 Ų | 105.7 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -44.6 | 175.1 | -77.1 | 178.8 | -15.1 | 0 | 0 | 112 | S492 R493 R494 E498 Q499 L500 | S492-Q496 WeakPolarHBondContact O-CG 3.3Å; S492-Q496 PolarHBondContact O-N 2.85Å; R493-Q496 PolarHBondContact O-N 3.36Å; R494-Q496 VanDerWaalsContact C-N 3.35Å; R494-Q496 PolarHBondContact O-N 2.8Å; Q496-E498 VanDerWaalsContact C-N 3.35Å; Q496-Q499 PolarHBondContact O-N 3.39Å; Q496-L500 WeakPolarHBondContact O-CB 3.47Å; Q496-L500 PolarHBondContact O-N 3.5Å |
| 497 | S | 83.2 | Confident | 87.1 | Confident | 75 Ų | 75 | 107.4 Ų | 107.4 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | R493 R494 L500 C501 | R493-S497 WeakPolarHBondContact O-CB 3.42Å; R493-S497 PolarHBondContact O-N 3.45Å; R494-S497 PolarHBondContact O-N 3.36Å; S497-L500 PolarHBondContact O-N 2.99Å; S497-C501 WeakPolarHBondContact O-CB 3.39Å; S497-C501 PolarHBondContact O-N 2.86Å; S497-C501 PolarHBondContact O-SG 2.98Å; S497-C501 VanDerWaalsContact O-SG 3.37Å |
| 498 | E | 88.8 | Confident | 86.9 | Confident | 138 Ų | 138 | 105.6 Ų | 105.6 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 177.6 | -170.3 | 169.8 | -160.3 | 0 | 0 | 112 | R494 Q496 L500 C501 Q502 | R494-E498 VanDerWaalsContact O-CB 3.28Å; R494-E498 WeakPolarHBondContact O-CB 3.44Å; R494-E498 PolarHBondContact O-N 3.28Å; Q496-E498 VanDerWaalsContact C-N 3.35Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.29Å; E498-C501 PolarHBondContact O-N 3.07Å; E498-Q502 WeakPolarHBondContact O-CB 3.41Å; E498-Q502 PolarHBondContact O-N 3.42Å |
| 499 | Q | 88.6 | Confident | 86.8 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 172.7 | -174.7 | 63.9 | 45.7 | 0 | 0 | 111.4 | K495 Q496 Q502 D503 | K495-Q499 WeakPolarHBondContact O-CB 3.21Å; K495-Q499 PolarHBondContact O-N 2.8Å; Q496-Q499 PolarHBondContact O-N 3.39Å; Q499-Q502 WeakPolarHBondContact O-CB 3.49Å; Q499-Q502 PolarHBondContact O-N 2.97Å; Q499-D503 PolarHBondContact NE2-OD1 3.48Å; Q499-D503 WeakPolarHBondContact O-CB 3.49Å; Q499-D503 PolarHBondContact O-N 3.26Å |
| 500 | L | 86.9 | Confident | 86.6 | Confident | 110 Ų | 110 | 107.4 Ų | 107.4 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | -178.4 | -146.5 | 144 | 0 | 0 | 0 | 111.4 | Q496 S497 E498 D503 L504 | Q496-L500 WeakPolarHBondContact O-CB 3.47Å; Q496-L500 PolarHBondContact O-N 3.5Å; S497-L500 PolarHBondContact O-N 2.99Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.29Å; L500-D503 PolarHBondContact O-N 3.31Å; L500-L504 HydrophobicContact CD2-CD1 4.04Å; L500-L504 HydrophobicContact CD2-CG 4.45Å; L500-L504 WeakPolarHBondContact O-CB 3.49Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.41Å; L500-L504 PolarHBondContact O-N 3.39Å |
| 501 | C | 86.4 | Confident | 86.3 | Confident | 71 Ų | 71 | 108.6 Ų | 108.6 | 48% | 0.48 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 169.5 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | S497 E498 L504 V505 | S497-C501 WeakPolarHBondContact O-CB 3.39Å; S497-C501 PolarHBondContact O-N 2.86Å; S497-C501 PolarHBondContact O-SG 2.98Å; S497-C501 VanDerWaalsContact O-SG 3.37Å; E498-C501 PolarHBondContact O-N 3.07Å; C501-L504 PolarHBondContact O-N 3Å; C501-V505 VanDerWaalsContact O-CG2 3.28Å; C501-V505 WeakPolarHBondContact O-CG2 3.3Å; C501-V505 PolarHBondContact O-N 3.39Å |
| 502 | Q | 87.5 | Confident | 85.9 | Confident | 89 Ų | 89 | 107.5 Ų | 107.5 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 178.5 | -172.5 | 61.2 | 52.9 | 0 | 0 | 112 | E498 Q499 V505 N506 | E498-Q502 WeakPolarHBondContact O-CB 3.41Å; E498-Q502 PolarHBondContact O-N 3.42Å; Q499-Q502 WeakPolarHBondContact O-CB 3.49Å; Q499-Q502 PolarHBondContact O-N 2.97Å; Q502-V505 PolarHBondContact O-N 2.9Å; Q502-N506 PolarHBondContact NE2-OD1 3.13Å; Q502-N506 WeakPolarHBondContact O-CB 3.38Å; Q502-N506 PolarHBondContact O-N 2.89Å; Q502-N506 PolarHBondContact O-ND2 3.46Å |
| 503 | D | 88.4 | Confident | 85.7 | Confident | 80 Ų | 80 | 109.3 Ų | 109.3 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.4 | -66.7 | -16.7 | 0 | 0 | 0 | 111 | Q499 L500 N506 R507 | Q499-D503 PolarHBondContact NE2-OD1 3.48Å; Q499-D503 WeakPolarHBondContact O-CB 3.49Å; Q499-D503 PolarHBondContact O-N 3.26Å; L500-D503 PolarHBondContact O-N 3.31Å; D503-N506 PolarHBondContact O-N 3.45Å; D503-R507 WeakPolarHBondContact O-CB 3.41Å; D503-R507 PolarHBondContact O-N 3.4Å |
| 504 | L | 87.2 | Confident | 85.5 | Confident | 97 Ų | 97 | 104.4 Ų | 104.4 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.6 | -74.2 | 172.1 | 0 | 0 | 0 | 112.2 | L500 C501 N506 R507 I508 | L500-L504 HydrophobicContact CD2-CD1 4.04Å; L500-L504 HydrophobicContact CD2-CG 4.45Å; L500-L504 WeakPolarHBondContact O-CB 3.49Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.41Å; L500-L504 PolarHBondContact O-N 3.39Å; C501-L504 PolarHBondContact O-N 3Å; L504-N506 VanDerWaalsContact C-N 3.34Å; L504-N506 PolarHBondContact O-N 2.93Å; L504-R507 PolarHBondContact O-N 3.33Å; L504-I508 WeakPolarHBondContact O-CG1 3.29Å; L504-I508 PolarHBondContact O-N 3.37Å |
| 505 | V | 88.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 111 | C501 Q502 R507 I508 R509 | C501-V505 VanDerWaalsContact O-CG2 3.28Å; C501-V505 WeakPolarHBondContact O-CG2 3.3Å; C501-V505 PolarHBondContact O-N 3.39Å; Q502-V505 PolarHBondContact O-N 2.9Å; V505-R507 VanDerWaalsContact C-N 3.34Å; V505-I508 PolarHBondContact O-N 2.92Å; V505-R509 VanDerWaalsContact CG1-NH2 3.27Å; V505-R509 PolarHBondContact O-N 3.43Å |
| 506 | N | 86.1 | Confident | 84.8 | Confident | 55 Ų | 55 | 95.6 Ų | 95.6 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.4 | -70.1 | -19.3 | 0 | 0 | 0 | 111.1 | Q502 D503 L504 R509 E510 | Q502-N506 PolarHBondContact NE2-OD1 3.13Å; Q502-N506 WeakPolarHBondContact O-CB 3.38Å; Q502-N506 PolarHBondContact O-N 2.89Å; Q502-N506 PolarHBondContact O-ND2 3.46Å; D503-N506 PolarHBondContact O-N 3.45Å; L504-N506 VanDerWaalsContact C-N 3.34Å; L504-N506 PolarHBondContact O-N 2.93Å; N506-R509 PolarHBondContact O-N 3.19Å; N506-R509 PolarHBondContact OD1-NH1 3.11Å; N506-R509 PolarHBondContact OD1-NH2 3.02Å; N506-E510 WeakPolarHBondContact O-CG 3.28Å; N506-E510 PolarHBondContact O-N 3.39Å |
| 507 | R | 89.4 | Confident | 84.3 | Confident | 145 Ų | 145 | 93.4 Ų | 93.4 | 55% | 0.547 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 177.7 | -168.3 | 58.7 | 172.7 | 157.2 | 2.1 | 112.8 | D503 L504 V505 E510 L511 | D503-R507 WeakPolarHBondContact O-CB 3.41Å; D503-R507 PolarHBondContact O-N 3.4Å; L504-R507 PolarHBondContact O-N 3.33Å; V505-R507 VanDerWaalsContact C-N 3.34Å; R507-E510 IonicContact CZ-OE2 3.88Å; R507-E510 IonicContact NH1-OE2 2.83Å; R507-E510 PolarHBondContact NH1-OE2 2.87Å; R507-E510 PolarHBondContact O-N 3.3Å; R507-L511 WeakPolarHBondContact O-CG 3.36Å; R507-L511 PolarHBondContact O-N 2.84Å; R507-L511 VanDerWaalsContact O-N 3.08Å |
| 508 | I | 83.7 | Confident | 83.9 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 173.3 | -69 | 166.7 | 0 | 0 | 0 | 110.1 | L504 V505 E510 L511 E512 | L504-I508 WeakPolarHBondContact O-CG1 3.29Å; L504-I508 PolarHBondContact O-N 3.37Å; V505-I508 PolarHBondContact O-N 2.92Å; I508-E510 VanDerWaalsContact C-N 3.34Å; I508-E510 PolarHBondContact O-N 2.81Å; I508-L511 PolarHBondContact O-N 2.83Å; I508-L511 VanDerWaalsContact O-N 3.15Å; I508-E512 HydrophobicContact CG2-CG 4.29Å; I508-E512 WeakPolarHBondContact O-CG 3.36Å; I508-E512 PolarHBondContact O-N 3.17Å |
| 509 | R | 84.7 | Confident | 83.3 | Confident | 117 Ų | 117 | 95.8 Ų | 95.8 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 176.8 | -89.9 | -171.9 | -99.7 | 114.6 | -2.4 | 113 | V505 N506 E512 L513 | V505-R509 VanDerWaalsContact CG1-NH2 3.27Å; V505-R509 PolarHBondContact O-N 3.43Å; N506-R509 PolarHBondContact O-N 3.19Å; N506-R509 PolarHBondContact OD1-NH1 3.11Å; N506-R509 PolarHBondContact OD1-NH2 3.02Å; R509-E512 PolarHBondContact O-N 3.35Å; R509-L513 WeakPolarHBondContact O-CB 3.23Å; R509-L513 PolarHBondContact O-N 2.95Å |
| 510 | E | 82.8 | Confident | 82.9 | Confident | 107 Ų | 107 | 96.6 Ų | 96.6 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.9 | -76 | 175 | -175.2 | 0 | 0 | 112.3 | N506 R507 I508 S514 | N506-E510 WeakPolarHBondContact O-CG 3.28Å; N506-E510 PolarHBondContact O-N 3.39Å; R507-E510 IonicContact CZ-OE2 3.88Å; R507-E510 IonicContact NH1-OE2 2.83Å; R507-E510 PolarHBondContact NH1-OE2 2.87Å; R507-E510 PolarHBondContact O-N 3.3Å; I508-E510 VanDerWaalsContact C-N 3.34Å; I508-E510 PolarHBondContact O-N 2.81Å; E510-S514 WeakPolarHBondContact O-CB 3.5Å; E510-S514 PolarHBondContact O-N 2.94Å |
| 511 | L | 80.9 | Confident | 82.4 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 177.9 | -71.2 | 171.4 | 0 | 0 | 0 | 111.8 | R507 I508 S514 A515 | R507-L511 WeakPolarHBondContact O-CG 3.36Å; R507-L511 PolarHBondContact O-N 2.84Å; R507-L511 VanDerWaalsContact O-N 3.08Å; I508-L511 PolarHBondContact O-N 2.83Å; I508-L511 VanDerWaalsContact O-N 3.15Å; L511-S514 PolarHBondContact O-N 3.14Å; L511-A515 VanDerWaalsContact O-CB 3.3Å; L511-A515 WeakPolarHBondContact O-CB 3.38Å; L511-A515 PolarHBondContact O-N 3.28Å |
| 512 | E | 78.6 | Confident | 82.2 | Confident | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 174.9 | -72.9 | 174.6 | 160.8 | 0 | 0 | 111.8 | I508 R509 A515 I516 | I508-E512 HydrophobicContact CG2-CG 4.29Å; I508-E512 WeakPolarHBondContact O-CG 3.36Å; I508-E512 PolarHBondContact O-N 3.17Å; R509-E512 PolarHBondContact O-N 3.35Å; E512-A515 PolarHBondContact O-N 2.98Å; E512-I516 VanDerWaalsContact O-CG1 3.29Å; E512-I516 WeakPolarHBondContact O-CG1 3.41Å; E512-I516 PolarHBondContact O-N 3.02Å |
| 513 | L | 82.7 | Confident | 82 | Confident | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 174.3 | -90.7 | 153 | 0 | 0 | 0 | 111.7 | R509 A515 I516 D517 | R509-L513 WeakPolarHBondContact O-CB 3.23Å; R509-L513 PolarHBondContact O-N 2.95Å; L513-A515 VanDerWaalsContact C-N 3.34Å; L513-A515 PolarHBondContact O-N 3.33Å; L513-I516 PolarHBondContact O-N 2.96Å; L513-D517 PolarHBondContact O-N 3.49Å |
| 514 | S | 81.4 | Confident | 81.6 | Confident | 58 Ų | 58 | 98 Ų | 98 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 178.4 | -177 | 0 | 0 | 0 | 0 | 112.5 | E510 L511 D517 Q518 | E510-S514 WeakPolarHBondContact O-CB 3.5Å; E510-S514 PolarHBondContact O-N 2.94Å; L511-S514 PolarHBondContact O-N 3.14Å; S514-D517 PolarHBondContact O-N 2.73Å; S514-Q518 WeakPolarHBondContact O-CB 3.39Å; S514-Q518 WeakPolarHBondContact O-CG 3.36Å; S514-Q518 PolarHBondContact O-N 3.13Å |
| 515 | A | 77.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L511 E512 L513 Q518 H519 | L511-A515 VanDerWaalsContact O-CB 3.3Å; L511-A515 WeakPolarHBondContact O-CB 3.38Å; L511-A515 PolarHBondContact O-N 3.28Å; E512-A515 PolarHBondContact O-N 2.98Å; L513-A515 VanDerWaalsContact C-N 3.34Å; L513-A515 PolarHBondContact O-N 3.33Å; A515-Q518 PolarHBondContact O-N 3.2Å; A515-H519 WeakPolarHBondContact O-CB 3.48Å; A515-H519 PolarHBondContact O-N 2.89Å |
| 516 | I | 80.1 | Confident | 80.8 | Confident | 88 Ų | 88 | 98 Ų | 98 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.9 | -70.6 | 165.7 | 0 | 0 | 0 | 110.7 | E512 L513 H519 K520 | E512-I516 VanDerWaalsContact O-CG1 3.29Å; E512-I516 WeakPolarHBondContact O-CG1 3.41Å; E512-I516 PolarHBondContact O-N 3.02Å; L513-I516 PolarHBondContact O-N 2.96Å; I516-H519 PolarHBondContact O-N 3.39Å; I516-K520 HydrophobicContact CG2-CD 4.22Å; I516-K520 WeakPolarHBondContact O-CG 3.46Å; I516-K520 PolarHBondContact O-N 2.76Å |
| 517 | D | 78.2 | Confident | 80.6 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | -179.6 | -71.7 | -19.8 | 0 | 0 | 0 | 112.2 | L513 S514 K520 A521 | L513-D517 PolarHBondContact O-N 3.49Å; S514-D517 PolarHBondContact O-N 2.73Å; D517-K520 PolarHBondContact O-N 2.92Å; D517-A521 WeakPolarHBondContact O-CB 3.41Å; D517-A521 PolarHBondContact O-N 3.05Å |
| 518 | Q | 74.4 | Confident | 80.2 | Confident | 127 Ų | 127 | 99.3 Ų | 99.3 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 171.7 | -75.6 | -178.7 | 0.2 | 0 | 0 | 111.8 | S514 A515 A521 L522 | S514-Q518 WeakPolarHBondContact O-CB 3.39Å; S514-Q518 WeakPolarHBondContact O-CG 3.36Å; S514-Q518 PolarHBondContact O-N 3.13Å; A515-Q518 PolarHBondContact O-N 3.2Å; Q518-A521 PolarHBondContact O-N 2.79Å; Q518-L522 WeakPolarHBondContact O-CB 3.41Å; Q518-L522 PolarHBondContact O-N 2.83Å |
| 519 | H | 76.6 | Confident | 80.2 | Confident | 136 Ų | 136 | 100.9 Ų | 100.9 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 178.6 | -171.4 | 60.1 | 0 | 0 | 0 | 112.2 | A515 I516 L522 K523 | A515-H519 WeakPolarHBondContact O-CB 3.48Å; A515-H519 PolarHBondContact O-N 2.89Å; I516-H519 PolarHBondContact O-N 3.39Å; H519-L522 PolarHBondContact O-N 3.06Å; H519-K523 WeakPolarHBondContact O-CB 3.21Å; H519-K523 PolarHBondContact O-N 3.17Å |
| 520 | K | 79 | Confident | 80.2 | Confident | 122 Ų | 122 | 100.6 Ų | 100.6 | 53% | 0.53 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 173.5 | -72 | 172.2 | -175.6 | 167.8 | 0 | 111.7 | I516 D517 L522 K523 V524 | I516-K520 HydrophobicContact CG2-CD 4.22Å; I516-K520 WeakPolarHBondContact O-CG 3.46Å; I516-K520 PolarHBondContact O-N 2.76Å; D517-K520 PolarHBondContact O-N 2.92Å; K520-L522 PolarHBondContact O-N 3.48Å; K520-K523 PolarHBondContact O-N 3.37Å; K520-V524 WeakPolarHBondContact O-CG2 3.32Å; K520-V524 PolarHBondContact O-N 2.75Å |
| 521 | A | 75.8 | Confident | 80 | Confident | 54 Ų | 54 | 98 Ų | 98 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D517 Q518 V524 T525 | D517-A521 WeakPolarHBondContact O-CB 3.41Å; D517-A521 PolarHBondContact O-N 3.05Å; Q518-A521 PolarHBondContact O-N 2.79Å; A521-V524 PolarHBondContact O-N 3.25Å; A521-T525 WeakPolarHBondContact O-CB 3.43Å; A521-T525 PolarHBondContact O-N 3.5Å; A521-T525 PolarHBondContact O-OG1 3.23Å |
| 522 | L | 83.3 | Confident | 80.2 | Confident | 119 Ų | 119 | 100 Ų | 100 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 176.1 | -123.4 | 146.8 | 0 | 0 | 0 | 111.5 | Q518 H519 K520 T525 E526 | Q518-L522 WeakPolarHBondContact O-CB 3.41Å; Q518-L522 PolarHBondContact O-N 2.83Å; H519-L522 PolarHBondContact O-N 3.06Å; K520-L522 PolarHBondContact O-N 3.48Å; L522-T525 PolarHBondContact O-N 2.71Å; L522-E526 WeakPolarHBondContact O-CB 3.2Å; L522-E526 PolarHBondContact O-N 3.03Å |
| 523 | K | 82.2 | Confident | 80.4 | Confident | 122 Ų | 122 | 98.1 Ų | 98.1 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 176.2 | -170 | -177.8 | -178.6 | -164.9 | 0 | 111.9 | H519 K520 T525 E526 E527 | H519-K523 WeakPolarHBondContact O-CB 3.21Å; H519-K523 PolarHBondContact O-N 3.17Å; K520-K523 PolarHBondContact O-N 3.37Å; K523-T525 VanDerWaalsContact C-N 3.29Å; K523-T525 PolarHBondContact O-N 3.32Å; K523-E526 PolarHBondContact O-N 3.37Å; K523-E527 WeakPolarHBondContact CE-OE1 3.42Å; K523-E527 IonicContact NZ-OE1 3.33Å; K523-E527 WeakPolarHBondContact O-CB 3.43Å; K523-E527 WeakPolarHBondContact O-CG 3.2Å; K523-E527 PolarHBondContact O-N 3.43Å |
| 524 | V | 80.4 | Confident | 80.5 | Confident | 86 Ų | 86 | 96.1 Ų | 96.1 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | K520 A521 E527 L528 | K520-V524 WeakPolarHBondContact O-CG2 3.32Å; K520-V524 PolarHBondContact O-N 2.75Å; A521-V524 PolarHBondContact O-N 3.25Å; V524-E527 PolarHBondContact O-N 3.17Å; V524-L528 WeakPolarHBondContact O-CB 3.19Å; V524-L528 PolarHBondContact O-N 3.16Å |
| 525 | T | 79 | Confident | 80.5 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 178.4 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | A521 L522 K523 K529 | A521-T525 WeakPolarHBondContact O-CB 3.43Å; A521-T525 PolarHBondContact O-N 3.5Å; A521-T525 PolarHBondContact O-OG1 3.23Å; L522-T525 PolarHBondContact O-N 2.71Å; K523-T525 VanDerWaalsContact C-N 3.29Å; K523-T525 PolarHBondContact O-N 3.32Å; T525-K529 WeakPolarHBondContact O-CG 3.18Å; T525-K529 PolarHBondContact O-N 3.5Å |
| 526 | E | 80.5 | Confident | 81 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 42% | 0.416 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.2 | -39.3 | 177.2 | -161.5 | 61.2 | -159.6 | 0 | 0 | 111.8 | L522 K523 L528 K529 Q530 | L522-E526 WeakPolarHBondContact O-CB 3.2Å; L522-E526 PolarHBondContact O-N 3.03Å; K523-E526 PolarHBondContact O-N 3.37Å; E526-L528 VanDerWaalsContact C-N 3.34Å; E526-L528 PolarHBondContact O-N 3.29Å; E526-K529 PolarHBondContact O-N 3Å; E526-Q530 WeakPolarHBondContact O-CB 3.47Å; E526-Q530 WeakPolarHBondContact O-CG 3.49Å; E526-Q530 PolarHBondContact O-N 3.45Å |
| 527 | E | 82.9 | Confident | 81.2 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 171.7 | -74.6 | 171.8 | -177 | 0 | 0 | 111.3 | K523 V524 Q530 A531 | K523-E527 WeakPolarHBondContact CE-OE1 3.42Å; K523-E527 IonicContact NZ-OE1 3.33Å; K523-E527 WeakPolarHBondContact O-CB 3.43Å; K523-E527 WeakPolarHBondContact O-CG 3.2Å; K523-E527 PolarHBondContact O-N 3.43Å; V524-E527 PolarHBondContact O-N 3.17Å; E527-Q530 PolarHBondContact O-N 3.15Å; E527-A531 WeakPolarHBondContact O-CB 3.27Å; E527-A531 PolarHBondContact O-N 3.35Å |
| 528 | L | 80.6 | Confident | 81.6 | Confident | 127 Ų | 127 | 106 Ų | 106 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.7 | -39.6 | 177.3 | -157.9 | 90.4 | 0 | 0 | 0 | 112.2 | V524 E526 A531 F532 | V524-L528 WeakPolarHBondContact O-CB 3.19Å; V524-L528 PolarHBondContact O-N 3.16Å; E526-L528 VanDerWaalsContact C-N 3.34Å; E526-L528 PolarHBondContact O-N 3.29Å; L528-A531 PolarHBondContact O-N 3.05Å; L528-F532 PolarHBondContact O-N 2.91Å |
| 529 | K | 83.7 | Confident | 82.3 | Confident | 123 Ų | 123 | 106.6 Ų | 106.6 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 174.5 | -79.8 | 179 | -177.6 | 173.8 | 0 | 111.5 | T525 E526 F532 T533 | T525-K529 WeakPolarHBondContact O-CG 3.18Å; T525-K529 PolarHBondContact O-N 3.5Å; E526-K529 PolarHBondContact O-N 3Å; K529-F532 PolarHBondContact O-N 3.44Å; K529-T533 WeakPolarHBondContact O-CG2 3.25Å; K529-T533 PolarHBondContact O-N 2.75Å; K529-T533 PolarHBondContact O-OG1 3.04Å |
| 530 | Q | 83.5 | Confident | 82.8 | Confident | 112 Ų | 112 | 105.3 Ų | 105.3 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.7 | -75.5 | 178.3 | 5.8 | 0 | 0 | 110.8 | E526 E527 F532 T533 T534 | E526-Q530 WeakPolarHBondContact O-CB 3.47Å; E526-Q530 WeakPolarHBondContact O-CG 3.49Å; E526-Q530 PolarHBondContact O-N 3.45Å; E527-Q530 PolarHBondContact O-N 3.15Å; Q530-F532 VanDerWaalsContact C-N 3.33Å; Q530-F532 PolarHBondContact O-N 3.28Å; Q530-T533 WeakPolarHBondContact CA-OG1 3.43Å; Q530-T533 PolarHBondContact O-N 2.97Å; Q530-T533 VanDerWaalsContact O-N 3.14Å; Q530-T533 PolarHBondContact O-OG1 2.88Å; Q530-T534 WeakPolarHBondContact O-CG2 3.33Å; Q530-T534 PolarHBondContact O-N 2.89Å; Q530-T534 PolarHBondContact O-OG1 2.99Å |
| 531 | A | 79.1 | Confident | 83.1 | Confident | 51 Ų | 51 | 104.2 Ų | 104.2 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | E527 L528 T534 E535 | E527-A531 WeakPolarHBondContact O-CB 3.27Å; E527-A531 PolarHBondContact O-N 3.35Å; L528-A531 PolarHBondContact O-N 3.05Å; A531-T534 WeakPolarHBondContact CA-OG1 3.3Å; A531-T534 PolarHBondContact O-N 3.29Å; A531-T534 PolarHBondContact O-OG1 2.83Å; A531-E535 WeakPolarHBondContact O-CB 3.36Å; A531-E535 PolarHBondContact O-N 3.3Å |
| 532 | F | 85.3 | Confident | 83.5 | Confident | 141 Ų | 141 | 105.2 Ų | 105.2 | 62% | 0.618 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -38.7 | 176.3 | -170.2 | -95 | 0 | 0 | 0 | 112.3 | L528 K529 Q530 H536 | L528-F532 PolarHBondContact O-N 2.91Å; K529-F532 PolarHBondContact O-N 3.44Å; Q530-F532 VanDerWaalsContact C-N 3.33Å; Q530-F532 PolarHBondContact O-N 3.28Å; F532-H536 WeakPolarHBondContact O-CB 3.49Å; F532-H536 PolarHBondContact O-N 3.11Å |
| 533 | T | 83.2 | Confident | 83.6 | Confident | 74 Ų | 74 | 104.6 Ų | 104.6 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 176.3 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | K529 Q530 Q537 | K529-T533 WeakPolarHBondContact O-CG2 3.25Å; K529-T533 PolarHBondContact O-N 2.75Å; K529-T533 PolarHBondContact O-OG1 3.04Å; Q530-T533 WeakPolarHBondContact CA-OG1 3.43Å; Q530-T533 PolarHBondContact O-N 2.97Å; Q530-T533 VanDerWaalsContact O-N 3.14Å; Q530-T533 PolarHBondContact O-OG1 2.88Å; T533-Q537 VanDerWaalsContact O-CG 3.28Å; T533-Q537 WeakPolarHBondContact O-CG 3.05Å; T533-Q537 PolarHBondContact O-N 3.43Å |
| 534 | T | 84.3 | Confident | 83.8 | Confident | 67 Ų | 67 | 101.5 Ų | 101.5 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | 176.2 | 53 | 0 | 0 | 0 | 0 | 111.2 | Q530 A531 H536 Q537 E538 | Q530-T534 WeakPolarHBondContact O-CG2 3.33Å; Q530-T534 PolarHBondContact O-N 2.89Å; Q530-T534 PolarHBondContact O-OG1 2.99Å; A531-T534 WeakPolarHBondContact CA-OG1 3.3Å; A531-T534 PolarHBondContact O-N 3.29Å; A531-T534 PolarHBondContact O-OG1 2.83Å; T534-H536 VanDerWaalsContact C-N 3.3Å; T534-H536 PolarHBondContact O-N 3.39Å; T534-Q537 PolarHBondContact O-N 3.31Å; T534-E538 WeakPolarHBondContact O-CG 3.29Å; T534-E538 PolarHBondContact O-N 2.88Å |
| 535 | E | 82.2 | Confident | 84.2 | Confident | 127 Ų | 127 | 101.8 Ų | 101.8 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 175.6 | -172.5 | -168.6 | 167.2 | 0 | 0 | 111.4 | A531 E538 K539 | A531-E535 WeakPolarHBondContact O-CB 3.36Å; A531-E535 PolarHBondContact O-N 3.3Å; E535-E538 PolarHBondContact O-N 3.38Å; E535-K539 WeakPolarHBondContact O-CB 3.47Å; E535-K539 PolarHBondContact O-N 3.32Å |
| 536 | H | 85.7 | Confident | 84.5 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.7 | -171.9 | 65.3 | 0 | 0 | 0 | 112.5 | F532 T534 L540 | F532-H536 WeakPolarHBondContact O-CB 3.49Å; F532-H536 PolarHBondContact O-N 3.11Å; T534-H536 VanDerWaalsContact C-N 3.3Å; T534-H536 PolarHBondContact O-N 3.39Å; H536-L540 PolarHBondContact O-N 3.05Å |
| 537 | Q | 86 | Confident | 84.9 | Confident | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.6 | -43.5 | 176.1 | -75 | 173.4 | -5.1 | 0 | 0 | 111.9 | T533 T534 L540 L541 | T533-Q537 VanDerWaalsContact O-CG 3.28Å; T533-Q537 WeakPolarHBondContact O-CG 3.05Å; T533-Q537 PolarHBondContact O-N 3.43Å; T534-Q537 PolarHBondContact O-N 3.31Å; Q537-L540 PolarHBondContact O-N 2.69Å; Q537-L541 PolarHBondContact O-N 2.78Å |
| 538 | E | 86.8 | Confident | 85.3 | Confident | 128 Ų | 128 | 104.9 Ų | 104.9 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 175 | -74.5 | 176.8 | -177.7 | 0 | 0 | 111.4 | T534 E535 L540 L541 V542 | T534-E538 WeakPolarHBondContact O-CG 3.29Å; T534-E538 PolarHBondContact O-N 2.88Å; E535-E538 PolarHBondContact O-N 3.38Å; E538-L540 VanDerWaalsContact C-N 3.33Å; E538-L540 PolarHBondContact O-N 3.15Å; E538-L541 PolarHBondContact O-N 3.17Å; E538-V542 WeakPolarHBondContact O-CG2 3.44Å; E538-V542 PolarHBondContact O-N 3.47Å |
| 539 | K | 87.8 | Confident | 85.5 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 175.2 | -177.7 | 177.6 | 178.5 | 177.4 | 0 | 112.2 | E535 L541 V542 Q543 | E535-K539 WeakPolarHBondContact O-CB 3.47Å; E535-K539 PolarHBondContact O-N 3.32Å; K539-L541 VanDerWaalsContact C-N 3.3Å; K539-L541 PolarHBondContact O-N 2.85Å; K539-V542 PolarHBondContact O-N 2.84Å; K539-Q543 VanDerWaalsContact O-CB 3.29Å; K539-Q543 WeakPolarHBondContact O-CB 3.38Å; K539-Q543 PolarHBondContact O-N 3.3Å |
| 540 | L | 86.7 | Confident | 85.6 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 178 | -147.7 | 88.5 | 0 | 0 | 0 | 111.4 | H536 Q537 E538 Q543 S544 | H536-L540 PolarHBondContact O-N 3.05Å; Q537-L540 PolarHBondContact O-N 2.69Å; E538-L540 VanDerWaalsContact C-N 3.33Å; E538-L540 PolarHBondContact O-N 3.15Å; L540-Q543 PolarHBondContact O-N 3.24Å; L540-S544 PolarHBondContact O-N 3.03Å |
| 541 | L | 86.8 | Confident | 85.9 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -43.7 | 177.4 | -167.7 | 116.9 | 0 | 0 | 0 | 112 | Q537 E538 K539 Q543 S544 Q545 | Q537-L541 PolarHBondContact O-N 2.78Å; E538-L541 PolarHBondContact O-N 3.17Å; K539-L541 VanDerWaalsContact C-N 3.3Å; K539-L541 PolarHBondContact O-N 2.85Å; L541-Q543 VanDerWaalsContact C-N 3.28Å; L541-Q543 PolarHBondContact O-N 2.91Å; L541-S544 PolarHBondContact O-N 3.43Å; L541-S544 PolarHBondContact O-OG 3.46Å; L541-Q545 WeakPolarHBondContact O-CB 3.39Å; L541-Q545 VanDerWaalsContact O-CG 3.32Å; L541-Q545 WeakPolarHBondContact O-CG 3.44Å; L541-Q545 PolarHBondContact O-N 2.91Å |
| 542 | V | 82.6 | Confident | 86.4 | Confident | 74 Ų | 74 | 105.1 Ų | 105.1 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 174.1 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | E538 K539 Q545 L546 | E538-V542 WeakPolarHBondContact O-CG2 3.44Å; E538-V542 PolarHBondContact O-N 3.47Å; K539-V542 PolarHBondContact O-N 2.84Å; V542-Q545 PolarHBondContact O-N 3.18Å; V542-L546 HydrophobicContact CG1-CD1 4.11Å; V542-L546 HydrophobicContact CG1-CG 4.44Å; V542-L546 WeakPolarHBondContact O-CB 3.37Å; V542-L546 WeakPolarHBondContact O-CG 3.49Å; V542-L546 PolarHBondContact O-N 2.83Å |
| 543 | Q | 85.6 | Confident | 86.5 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -34.3 | 177.6 | -167.7 | 175.3 | 3.7 | 0 | 0 | 112.7 | K539 L540 L541 K547 | K539-Q543 VanDerWaalsContact O-CB 3.29Å; K539-Q543 WeakPolarHBondContact O-CB 3.38Å; K539-Q543 PolarHBondContact O-N 3.3Å; L540-Q543 PolarHBondContact O-N 3.24Å; L541-Q543 VanDerWaalsContact C-N 3.28Å; L541-Q543 PolarHBondContact O-N 2.91Å; Q543-K547 PolarHBondContact O-N 3.39Å |
| 544 | S | 87.5 | Confident | 86.8 | Confident | 57 Ų | 57 | 104.9 Ų | 104.9 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.5 | -38.5 | 172.8 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | L540 L541 K547 I548 | L540-S544 PolarHBondContact O-N 3.03Å; L541-S544 PolarHBondContact O-N 3.43Å; L541-S544 PolarHBondContact O-OG 3.46Å; S544-K547 PolarHBondContact O-N 3Å; S544-I548 WeakPolarHBondContact O-CG1 3.47Å; S544-I548 PolarHBondContact O-N 2.95Å; S544-I548 VanDerWaalsContact O-N 3.11Å |
| 545 | Q | 88.1 | Confident | 87.1 | Confident | 91 Ų | 91 | 104.9 Ų | 104.9 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 173.3 | -74.6 | 177 | -12.9 | 0 | 0 | 112.1 | L541 V542 K547 I548 I549 | L541-Q545 WeakPolarHBondContact O-CB 3.39Å; L541-Q545 VanDerWaalsContact O-CG 3.32Å; L541-Q545 WeakPolarHBondContact O-CG 3.44Å; L541-Q545 PolarHBondContact O-N 2.91Å; V542-Q545 PolarHBondContact O-N 3.18Å; Q545-K547 VanDerWaalsContact C-N 3.32Å; Q545-K547 PolarHBondContact O-N 2.77Å; Q545-I548 PolarHBondContact O-N 2.98Å; Q545-I548 VanDerWaalsContact O-N 3.13Å; Q545-I549 VanDerWaalsContact O-CG1 3.31Å; Q545-I549 WeakPolarHBondContact O-CG1 3.44Å; Q545-I549 PolarHBondContact O-N 2.65Å |
| 546 | L | 85 | Confident | 87.3 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 175.7 | -81.1 | 168.3 | 0 | 0 | 0 | 111.9 | V542 I548 I549 E550 | V542-L546 HydrophobicContact CG1-CD1 4.11Å; V542-L546 HydrophobicContact CG1-CG 4.44Å; V542-L546 WeakPolarHBondContact O-CB 3.37Å; V542-L546 WeakPolarHBondContact O-CG 3.49Å; V542-L546 PolarHBondContact O-N 2.83Å; L546-I548 VanDerWaalsContact C-N 3.35Å; L546-I548 PolarHBondContact O-N 3.04Å; L546-I549 PolarHBondContact O-N 3.15Å; L546-E550 WeakPolarHBondContact O-CB 3.48Å; L546-E550 WeakPolarHBondContact O-CG 3.39Å; L546-E550 PolarHBondContact O-N 2.92Å |
| 547 | K | 89.1 | Confident | 87.3 | Confident | 141 Ų | 141 | 100.6 Ų | 100.6 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 174.6 | -78.6 | -174.8 | 175.6 | -175.3 | 0 | 113.1 | Q543 S544 Q545 Q551 | Q543-K547 PolarHBondContact O-N 3.39Å; S544-K547 PolarHBondContact O-N 3Å; Q545-K547 VanDerWaalsContact C-N 3.32Å; Q545-K547 PolarHBondContact O-N 2.77Å; K547-Q551 WeakPolarHBondContact O-CB 3.44Å; K547-Q551 PolarHBondContact O-N 2.69Å |
| 548 | I | 90.6 | Very high | 87.5 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 177 | -66.2 | 165.8 | 0 | 0 | 0 | 110 | S544 Q545 L546 Q551 K552 | S544-I548 WeakPolarHBondContact O-CG1 3.47Å; S544-I548 PolarHBondContact O-N 2.95Å; S544-I548 VanDerWaalsContact O-N 3.11Å; Q545-I548 PolarHBondContact O-N 2.98Å; Q545-I548 VanDerWaalsContact O-N 3.13Å; L546-I548 VanDerWaalsContact C-N 3.35Å; L546-I548 PolarHBondContact O-N 3.04Å; I548-Q551 PolarHBondContact O-N 3.42Å; I548-K552 HydrophobicContact CG2-CD 4.45Å; I548-K552 HydrophobicContact CG2-CG 4.48Å; I548-K552 WeakPolarHBondContact O-CB 3.35Å; I548-K552 WeakPolarHBondContact O-CG 3.39Å; I548-K552 PolarHBondContact O-N 3.49Å |
| 549 | I | 84.9 | Confident | 87.6 | Confident | 105 Ų | 105 | 98.6 Ų | 98.6 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 177.1 | -68 | 166.4 | 0 | 0 | 0 | 110.9 | Q545 L546 Q551 K552 F553 | Q545-I549 VanDerWaalsContact O-CG1 3.31Å; Q545-I549 WeakPolarHBondContact O-CG1 3.44Å; Q545-I549 PolarHBondContact O-N 2.65Å; L546-I549 PolarHBondContact O-N 3.15Å; I549-Q551 VanDerWaalsContact C-N 3.34Å; I549-Q551 PolarHBondContact O-N 3.46Å; I549-K552 PolarHBondContact O-N 3.49Å; I549-F553 WeakPolarHBondContact O-CB 3.33Å; I549-F553 PolarHBondContact O-N 3.12Å |
| 550 | E | 86.6 | Confident | 87.5 | Confident | 131 Ų | 131 | 94.9 Ų | 94.9 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 174.6 | -77.6 | 174.5 | 173.9 | 0 | 0 | 111.8 | L546 F553 N554 | L546-E550 WeakPolarHBondContact O-CB 3.48Å; L546-E550 WeakPolarHBondContact O-CG 3.39Å; L546-E550 PolarHBondContact O-N 2.92Å; E550-F553 PolarHBondContact O-N 3.02Å; E550-N554 PolarHBondContact O-N 2.86Å |
| 551 | Q | 89.9 | Confident | 87.6 | Confident | 104 Ų | 104 | 94 Ų | 94 | 49% | 0.486 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 175.3 | -175.6 | 62.5 | 39.4 | 0 | 0 | 111.5 | K547 I548 I549 F553 N554 D555 | K547-Q551 WeakPolarHBondContact O-CB 3.44Å; K547-Q551 PolarHBondContact O-N 2.69Å; I548-Q551 PolarHBondContact O-N 3.42Å; I549-Q551 VanDerWaalsContact C-N 3.34Å; I549-Q551 PolarHBondContact O-N 3.46Å; Q551-F553 VanDerWaalsContact C-N 3.31Å; Q551-F553 PolarHBondContact O-N 2.93Å; Q551-N554 WeakPolarHBondContact O-CB 3.23Å; Q551-N554 PolarHBondContact O-N 3.38Å; Q551-N554 VanDerWaalsContact O-N 3.11Å; Q551-D555 PolarHBondContact NE2-OD1 2.84Å; Q551-D555 VanDerWaalsContact O-CG 3.26Å; Q551-D555 PolarHBondContact O-N 3.17Å |
| 552 | K | 90.1 | Very high | 87.6 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 34% | 0.339 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 176.9 | -75.8 | -170.7 | 174.3 | -153.2 | 0 | 112.4 | D204 I548 I549 N554 D555 M556 | D204-K552 IonicContact OD1-NZ 3.82Å; D204-K552 PolarHBondContact OD1-NZ 2.6Å; I548-K552 HydrophobicContact CG2-CD 4.45Å; I548-K552 HydrophobicContact CG2-CG 4.48Å; I548-K552 WeakPolarHBondContact O-CB 3.35Å; I548-K552 WeakPolarHBondContact O-CG 3.39Å; I548-K552 PolarHBondContact O-N 3.49Å; I549-K552 PolarHBondContact O-N 3.49Å; K552-N554 VanDerWaalsContact C-N 3.31Å; K552-N554 PolarHBondContact O-N 3.15Å; K552-D555 PolarHBondContact O-N 2.98Å; K552-M556 VanDerWaalsContact O-CB 3.3Å; K552-M556 WeakPolarHBondContact O-CB 3.47Å; K552-M556 PolarHBondContact O-N 2.83Å |
| 553 | F | 87.5 | Confident | 87.8 | Confident | 127 Ų | 127 | 95.7 Ų | 95.7 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.9 | -42.4 | 175.3 | -174.7 | -94.5 | 0 | 0 | 0 | 111 | I549 E550 Q551 M556 C557 | I549-F553 WeakPolarHBondContact O-CB 3.33Å; I549-F553 PolarHBondContact O-N 3.12Å; E550-F553 PolarHBondContact O-N 3.02Å; Q551-F553 VanDerWaalsContact C-N 3.31Å; Q551-F553 PolarHBondContact O-N 2.93Å; F553-M556 HydrophobicContact CD2-CE 3.9Å; F553-M556 HydrophobicContact CE2-CE 4.25Å; F553-M556 PolarHBondContact O-N 2.78Å; F553-C557 PolarHBondContact O-N 3.26Å; F553-C557 PolarHBondContact O-SG 3.15Å; F553-C557 VanDerWaalsContact O-SG 3.32Å |
| 554 | N | 89.3 | Confident | 87.9 | Confident | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 177.6 | -159.3 | 41 | 0 | 0 | 0 | 112.5 | E550 Q551 K552 C557 Q558 | E550-N554 PolarHBondContact O-N 2.86Å; Q551-N554 WeakPolarHBondContact O-CB 3.23Å; Q551-N554 PolarHBondContact O-N 3.38Å; Q551-N554 VanDerWaalsContact O-N 3.11Å; K552-N554 VanDerWaalsContact C-N 3.31Å; K552-N554 PolarHBondContact O-N 3.15Å; N554-C557 PolarHBondContact O-N 3.3Å; N554-Q558 WeakPolarHBondContact O-CG 3.35Å; N554-Q558 PolarHBondContact O-N 3.23Å; N554-Q558 VanDerWaalsContact O-N 3.12Å |
| 555 | D | 89.2 | Confident | 88.1 | Confident | 66 Ų | 66 | 99.6 Ų | 99.6 | 35% | 0.353 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.8 | -63.2 | -18 | 0 | 0 | 0 | 110.9 | Q551 K552 Q558 I559 | Q551-D555 PolarHBondContact NE2-OD1 2.84Å; Q551-D555 VanDerWaalsContact O-CG 3.26Å; Q551-D555 PolarHBondContact O-N 3.17Å; K552-D555 PolarHBondContact O-N 2.98Å; D555-Q558 WeakPolarHBondContact O-CB 2.97Å; D555-Q558 PolarHBondContact O-N 3.22Å; D555-I559 WeakPolarHBondContact O-CG1 3.27Å; D555-I559 PolarHBondContact O-N 3.19Å |
| 556 | M | 87.1 | Confident | 88.1 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 174.4 | -176.6 | 173.8 | 61.3 | 0 | 0 | 111.9 | K552 F553 Q558 I559 V560 | K552-M556 VanDerWaalsContact O-CB 3.3Å; K552-M556 WeakPolarHBondContact O-CB 3.47Å; K552-M556 PolarHBondContact O-N 2.83Å; F553-M556 HydrophobicContact CD2-CE 3.9Å; F553-M556 HydrophobicContact CE2-CE 4.25Å; F553-M556 PolarHBondContact O-N 2.78Å; M556-Q558 VanDerWaalsContact C-N 3.32Å; M556-Q558 PolarHBondContact O-N 2.91Å; M556-I559 PolarHBondContact O-N 3.19Å; M556-V560 WeakPolarHBondContact O-CG2 3.5Å; M556-V560 PolarHBondContact O-N 3.26Å |
| 557 | C | 87.1 | Confident | 88.2 | Confident | 45 Ų | 45 | 102.8 Ų | 102.8 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 173.1 | -73.2 | 0 | 0 | 0 | 0 | 111.8 | F553 N554 I559 V560 D561 | F553-C557 PolarHBondContact O-N 3.26Å; F553-C557 PolarHBondContact O-SG 3.15Å; F553-C557 VanDerWaalsContact O-SG 3.32Å; N554-C557 PolarHBondContact O-N 3.3Å; C557-I559 PolarHBondContact O-N 2.85Å; C557-V560 PolarHBondContact O-N 3.12Å; C557-D561 PolarHBondContact O-N 3.07Å |
| 558 | Q | 89.5 | Confident | 88.2 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 176.6 | -69.1 | 172.7 | 31.5 | 0 | 0 | 112.7 | N554 D555 M556 D561 H562 | N554-Q558 WeakPolarHBondContact O-CG 3.35Å; N554-Q558 PolarHBondContact O-N 3.23Å; N554-Q558 VanDerWaalsContact O-N 3.12Å; D555-Q558 WeakPolarHBondContact O-CB 2.97Å; D555-Q558 PolarHBondContact O-N 3.22Å; M556-Q558 VanDerWaalsContact C-N 3.32Å; M556-Q558 PolarHBondContact O-N 2.91Å; Q558-D561 PolarHBondContact O-N 3.04Å; Q558-H562 WeakPolarHBondContact O-CB 3.05Å; Q558-H562 PolarHBondContact O-N 2.89Å |
| 559 | I | 88.1 | Confident | 88.1 | Confident | 106 Ų | 106 | 98.7 Ų | 98.7 | 54% | 0.544 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.6 | -67.5 | 167.1 | 0 | 0 | 0 | 110.4 | D555 M556 C557 D561 H562 L563 | D555-I559 WeakPolarHBondContact O-CG1 3.27Å; D555-I559 PolarHBondContact O-N 3.19Å; M556-I559 PolarHBondContact O-N 3.19Å; C557-I559 PolarHBondContact O-N 2.85Å; I559-D561 VanDerWaalsContact C-N 3.34Å; I559-D561 PolarHBondContact O-N 3.12Å; I559-H562 PolarHBondContact O-N 3.11Å; I559-L563 HydrophobicContact CG2-CD1 4.06Å; I559-L563 HydrophobicContact CG2-CG 4.39Å; I559-L563 WeakPolarHBondContact O-CG 3.49Å; I559-L563 PolarHBondContact O-N 3.39Å |
| 560 | V | 85.4 | Confident | 88.2 | Confident | 63 Ų | 63 | 99.1 Ų | 99.1 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | M556 C557 H562 L563 R564 | M556-V560 WeakPolarHBondContact O-CG2 3.5Å; M556-V560 PolarHBondContact O-N 3.26Å; C557-V560 PolarHBondContact O-N 3.12Å; V560-H562 VanDerWaalsContact C-N 3.34Å; V560-H562 PolarHBondContact O-N 3.29Å; V560-L563 PolarHBondContact O-N 3.1Å; V560-R564 WeakPolarHBondContact O-CG 3.38Å; V560-R564 PolarHBondContact O-N 3.05Å |
| 561 | D | 89 | Confident | 88.3 | Confident | 90 Ų | 90 | 98.6 Ų | 98.6 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.1 | -71.6 | -23.8 | 0 | 0 | 0 | 111.6 | C557 Q558 I559 R564 V565 | C557-D561 PolarHBondContact O-N 3.07Å; Q558-D561 PolarHBondContact O-N 3.04Å; I559-D561 VanDerWaalsContact C-N 3.34Å; I559-D561 PolarHBondContact O-N 3.12Å; D561-R564 PolarHBondContact O-N 3.28Å; D561-V565 WeakPolarHBondContact O-CG2 3.46Å; D561-V565 PolarHBondContact O-N 3.25Å; D561-V565 VanDerWaalsContact O-N 3.09Å |
| 562 | H | 87.5 | Confident | 88.3 | Confident | 109 Ų | 109 | 98.6 Ų | 98.6 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 175 | -166 | -39.9 | 0 | 0 | 0 | 112.3 | Q558 I559 V560 V565 K566 | Q558-H562 WeakPolarHBondContact O-CB 3.05Å; Q558-H562 PolarHBondContact O-N 2.89Å; I559-H562 PolarHBondContact O-N 3.11Å; V560-H562 VanDerWaalsContact C-N 3.34Å; V560-H562 PolarHBondContact O-N 3.29Å; H562-V565 PolarHBondContact O-N 3.06Å; H562-K566 VanDerWaalsContact CE1-CE 3.44Å; H562-K566 WeakPolarHBondContact CE1-CE 3.35Å; H562-K566 PolarHBondContact O-N 3.02Å; H562-K566 VanDerWaalsContact O-N 3.14Å |
| 563 | L | 85.7 | Confident | 88.4 | Confident | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 176.4 | -72.7 | 174.5 | 0 | 0 | 0 | 111.4 | I559 V560 V565 K566 E567 | I559-L563 HydrophobicContact CG2-CD1 4.06Å; I559-L563 HydrophobicContact CG2-CG 4.39Å; I559-L563 WeakPolarHBondContact O-CG 3.49Å; I559-L563 PolarHBondContact O-N 3.39Å; V560-L563 PolarHBondContact O-N 3.1Å; L563-V565 PolarHBondContact O-N 3.42Å; L563-K566 WeakPolarHBondContact O-CB 3.37Å; L563-K566 PolarHBondContact O-N 3.44Å; L563-K566 VanDerWaalsContact O-N 3.15Å; L563-E567 PolarHBondContact O-N 2.9Å |
| 564 | R | 88.7 | Confident | 88.5 | Confident | 149 Ų | 149 | 102.3 Ų | 102.3 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 173.5 | -78 | 177 | 172.3 | 179 | -2.9 | 112.4 | V560 D561 K566 E567 D568 | V560-R564 WeakPolarHBondContact O-CG 3.38Å; V560-R564 PolarHBondContact O-N 3.05Å; D561-R564 PolarHBondContact O-N 3.28Å; R564-K566 VanDerWaalsContact C-N 3.25Å; R564-K566 PolarHBondContact O-N 3.43Å; R564-E567 PolarHBondContact O-N 2.98Å; R564-D568 PolarHBondContact O-N 3.43Å |
| 565 | V | 90.9 | Very high | 88.4 | Confident | 98 Ų | 98 | 103.5 Ų | 103.5 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -34.8 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | D561 H562 L563 A569 | D561-V565 WeakPolarHBondContact O-CG2 3.46Å; D561-V565 PolarHBondContact O-N 3.25Å; D561-V565 VanDerWaalsContact O-N 3.09Å; H562-V565 PolarHBondContact O-N 3.06Å; L563-V565 PolarHBondContact O-N 3.42Å; V565-A569 WeakPolarHBondContact O-CB 3.37Å; V565-A569 PolarHBondContact O-N 3.19Å; V565-A569 VanDerWaalsContact O-N 3.15Å |
| 566 | K | 88.3 | Confident | 88.5 | Confident | 118 Ų | 118 | 106.2 Ų | 106.2 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.8 | -42.2 | 174.8 | -78.6 | 178.4 | 169.9 | 175 | 0 | 112.2 | H562 L563 R564 A569 E570 | H562-K566 VanDerWaalsContact CE1-CE 3.44Å; H562-K566 WeakPolarHBondContact CE1-CE 3.35Å; H562-K566 PolarHBondContact O-N 3.02Å; H562-K566 VanDerWaalsContact O-N 3.14Å; L563-K566 WeakPolarHBondContact O-CB 3.37Å; L563-K566 PolarHBondContact O-N 3.44Å; L563-K566 VanDerWaalsContact O-N 3.15Å; R564-K566 VanDerWaalsContact C-N 3.25Å; R564-K566 PolarHBondContact O-N 3.43Å; K566-A569 PolarHBondContact O-N 2.83Å; K566-E570 PolarHBondContact O-N 3.26Å |
| 567 | E | 87.6 | Confident | 88.7 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -45.8 | 176.3 | -175.3 | -178.3 | -178.6 | 0 | 0 | 111.1 | L563 R564 A569 E570 K571 | L563-E567 PolarHBondContact O-N 2.9Å; R564-E567 PolarHBondContact O-N 2.98Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 2.71Å; E567-E570 PolarHBondContact O-N 2.93Å; E567-K571 WeakPolarHBondContact O-CB 3.46Å; E567-K571 PolarHBondContact O-N 2.88Å |
| 568 | D | 89.4 | Confident | 88.7 | Confident | 93 Ų | 93 | 108.3 Ų | 108.3 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 175.8 | -72.9 | -28.8 | 0 | 0 | 0 | 111.5 | R564 K571 D572 | R564-D568 PolarHBondContact O-N 3.43Å; D568-K571 PolarHBondContact O-N 3.5Å; D568-D572 PolarHBondContact O-N 2.95Å |
| 569 | A | 88.8 | Confident | 88.7 | Confident | 59 Ų | 59 | 107.9 Ų | 107.9 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -36 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | V565 K566 E567 R573 | V565-A569 WeakPolarHBondContact O-CB 3.37Å; V565-A569 PolarHBondContact O-N 3.19Å; V565-A569 VanDerWaalsContact O-N 3.15Å; K566-A569 PolarHBondContact O-N 2.83Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 2.71Å; A569-R573 PolarHBondContact O-N 3.12Å |
| 570 | E | 86.8 | Confident | 88.9 | Confident | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 173.4 | -78.2 | -170.9 | 164.6 | 0 | 0 | 111.6 | K566 E567 R573 Y574 | K566-E570 PolarHBondContact O-N 3.26Å; E567-E570 PolarHBondContact O-N 2.93Å; E570-R573 WeakPolarHBondContact O-CB 3.35Å; E570-R573 PolarHBondContact O-N 3.22Å; E570-Y574 HydrophobicContact CB-CE2 4.46Å; E570-Y574 WeakPolarHBondContact O-CD2 3.42Å; E570-Y574 PolarHBondContact O-N 3.43Å |
| 571 | K | 89.3 | Confident | 89.1 | Confident | 119 Ų | 119 | 108.7 Ų | 108.7 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.4 | -172.6 | -179.5 | 175 | -174 | 0 | 111.8 | E567 D568 R573 Y574 E575 | E567-K571 WeakPolarHBondContact O-CB 3.46Å; E567-K571 PolarHBondContact O-N 2.88Å; D568-K571 PolarHBondContact O-N 3.5Å; K571-R573 VanDerWaalsContact C-N 3.26Å; K571-R573 PolarHBondContact O-N 2.97Å; K571-Y574 PolarHBondContact O-N 3.32Å; K571-E575 WeakPolarHBondContact O-CG 3.49Å; K571-E575 PolarHBondContact O-N 3.48Å |
| 572 | D | 89.7 | Confident | 89.1 | Confident | 105 Ų | 105 | 108.6 Ų | 108.6 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.7 | -38.9 | 175.1 | -76.5 | -10.5 | 0 | 0 | 0 | 111.8 | D568 E575 Q576 | D568-D572 PolarHBondContact O-N 2.95Å; D572-E575 PolarHBondContact O-N 3.4Å; D572-Q576 WeakPolarHBondContact O-CB 3.18Å; D572-Q576 PolarHBondContact O-N 3.41Å |
| 573 | R | 91.7 | Very high | 89.2 | Confident | 150 Ų | 150 | 108.3 Ų | 108.3 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 176.7 | -174.6 | -174.1 | 157.4 | -138.6 | -12.4 | 111.9 | A569 E570 K571 Q576 E577 | A569-R573 PolarHBondContact O-N 3.12Å; E570-R573 WeakPolarHBondContact O-CB 3.35Å; E570-R573 PolarHBondContact O-N 3.22Å; K571-R573 VanDerWaalsContact C-N 3.26Å; K571-R573 PolarHBondContact O-N 2.97Å; R573-Q576 PolarHBondContact O-N 2.88Å; R573-E577 PolarHBondContact O-N 3.15Å |
| 574 | Y | 89.8 | Confident | 89.4 | Confident | 132 Ų | 132 | 107.9 Ų | 107.9 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 176.2 | -73.3 | -57.7 | 0 | 0 | 0 | 112.1 | E570 K571 Q576 E577 I578 | E570-Y574 HydrophobicContact CB-CE2 4.46Å; E570-Y574 WeakPolarHBondContact O-CD2 3.42Å; E570-Y574 PolarHBondContact O-N 3.43Å; K571-Y574 PolarHBondContact O-N 3.32Å; Y574-Q576 VanDerWaalsContact C-N 3.33Å; Y574-Q576 PolarHBondContact O-N 3.48Å; Y574-E577 PolarHBondContact O-N 3.21Å; Y574-I578 VanDerWaalsContact O-CG1 3.3Å; Y574-I578 WeakPolarHBondContact O-CG1 3.46Å; Y574-I578 PolarHBondContact O-N 2.92Å |
| 575 | E | 87.8 | Confident | 89.4 | Confident | 109 Ų | 109 | 104.3 Ų | 104.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.5 | -74.6 | -176 | -171.5 | 0 | 0 | 111.6 | K571 D572 I578 E579 | K571-E575 WeakPolarHBondContact O-CG 3.49Å; K571-E575 PolarHBondContact O-N 3.48Å; D572-E575 PolarHBondContact O-N 3.4Å; E575-I578 PolarHBondContact O-N 2.94Å; E575-E579 PolarHBondContact O-N 2.74Å |
| 576 | Q | 90.1 | Very high | 89.3 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -37.5 | 176.1 | -164.3 | 174.4 | 30.7 | 0 | 0 | 112.6 | D572 R573 Y574 E579 N580 | D572-Q576 WeakPolarHBondContact O-CB 3.18Å; D572-Q576 PolarHBondContact O-N 3.41Å; R573-Q576 PolarHBondContact O-N 2.88Å; Y574-Q576 VanDerWaalsContact C-N 3.33Å; Y574-Q576 PolarHBondContact O-N 3.48Å; Q576-E579 PolarHBondContact O-N 2.97Å; Q576-N580 VanDerWaalsContact O-CG 3.26Å; Q576-N580 PolarHBondContact O-N 3.36Å; Q576-N580 PolarHBondContact O-ND2 3Å |
| 577 | E | 91 | Very high | 89.3 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 176.2 | -167 | 160.6 | -164.1 | 0 | 0 | 111.7 | R573 Y574 N580 L581 | R573-E577 PolarHBondContact O-N 3.15Å; Y574-E577 PolarHBondContact O-N 3.21Å; E577-N580 PolarHBondContact O-N 2.91Å; E577-L581 WeakPolarHBondContact O-CG 3.42Å; E577-L581 PolarHBondContact O-N 2.94Å |
| 578 | I | 86.5 | Confident | 89.4 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 171.7 | -70.3 | 167.9 | 0 | 0 | 0 | 110.9 | Y574 E575 N580 L581 N582 | Y574-I578 VanDerWaalsContact O-CG1 3.3Å; Y574-I578 WeakPolarHBondContact O-CG1 3.46Å; Y574-I578 PolarHBondContact O-N 2.92Å; E575-I578 PolarHBondContact O-N 2.94Å; I578-N580 VanDerWaalsContact C-N 3.35Å; I578-N580 PolarHBondContact O-N 2.94Å; I578-L581 PolarHBondContact O-N 2.66Å; I578-N582 WeakPolarHBondContact CG2-ND2 3.29Å; I578-N582 WeakPolarHBondContact O-CB 3.37Å; I578-N582 PolarHBondContact O-N 2.88Å; I578-N582 PolarHBondContact O-ND2 3.1Å |
| 579 | E | 90.5 | Very high | 89.4 | Confident | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.2 | -163.7 | -168 | 149.8 | 0 | 0 | 111.7 | E575 Q576 N582 K583 | E575-E579 PolarHBondContact O-N 2.74Å; Q576-E579 PolarHBondContact O-N 2.97Å; E579-N582 PolarHBondContact O-N 2.57Å; E579-K583 PolarHBondContact O-N 3.09Å; E579-K583 VanDerWaalsContact OE1-CE 3.28Å; E579-K583 WeakPolarHBondContact OE1-CE 3.5Å; E579-K583 IonicContact OE1-NZ 2.82Å; E579-K583 PolarHBondContact OE1-NZ 3.04Å |
| 580 | N | 91.6 | Very high | 89.4 | Confident | 90 Ų | 90 | 105.1 Ų | 105.1 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.6 | -70.8 | -24.7 | 0 | 0 | 0 | 112.3 | Q576 E577 I578 N582 K583 L584 | Q576-N580 VanDerWaalsContact O-CG 3.26Å; Q576-N580 PolarHBondContact O-N 3.36Å; Q576-N580 PolarHBondContact O-ND2 3Å; E577-N580 PolarHBondContact O-N 2.91Å; I578-N580 VanDerWaalsContact C-N 3.35Å; I578-N580 PolarHBondContact O-N 2.94Å; N580-N582 VanDerWaalsContact C-N 3.33Å; N580-N582 PolarHBondContact O-N 2.97Å; N580-K583 PolarHBondContact O-N 2.76Å; N580-L584 PolarHBondContact O-N 3.3Å |
| 581 | L | 89.7 | Confident | 89.6 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.8 | -74.1 | 170.4 | 0 | 0 | 0 | 111.6 | E577 I578 L584 I585 | E577-L581 WeakPolarHBondContact O-CG 3.42Å; E577-L581 PolarHBondContact O-N 2.94Å; I578-L581 PolarHBondContact O-N 2.66Å; L581-L584 PolarHBondContact O-N 2.97Å; L581-I585 WeakPolarHBondContact O-CG1 3.38Å; L581-I585 PolarHBondContact O-N 3.26Å |
| 582 | N | 88.6 | Confident | 89.5 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.7 | -78.2 | -41.8 | 0 | 0 | 0 | 112.3 | I578 E579 N580 I585 T586 | I578-N582 WeakPolarHBondContact CG2-ND2 3.29Å; I578-N582 WeakPolarHBondContact O-CB 3.37Å; I578-N582 PolarHBondContact O-N 2.88Å; I578-N582 PolarHBondContact O-ND2 3.1Å; E579-N582 PolarHBondContact O-N 2.57Å; N580-N582 VanDerWaalsContact C-N 3.33Å; N580-N582 PolarHBondContact O-N 2.97Å; N582-I585 PolarHBondContact O-N 3.08Å; N582-T586 WeakPolarHBondContact O-CG2 3.16Å; N582-T586 PolarHBondContact O-N 2.77Å; N582-T586 PolarHBondContact O-OG1 2.89Å |
| 583 | K | 90.4 | Very high | 89.4 | Confident | 103 Ų | 103 | 106.6 Ų | 106.6 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 172.5 | -74.5 | 172.2 | -174.4 | 158.3 | 0 | 111.4 | E579 N580 I585 T586 E587 | E579-K583 PolarHBondContact O-N 3.09Å; E579-K583 VanDerWaalsContact OE1-CE 3.28Å; E579-K583 WeakPolarHBondContact OE1-CE 3.5Å; E579-K583 IonicContact OE1-NZ 2.82Å; E579-K583 PolarHBondContact OE1-NZ 3.04Å; N580-K583 PolarHBondContact O-N 2.76Å; K583-I585 VanDerWaalsContact C-N 3.34Å; K583-I585 PolarHBondContact O-N 3.41Å; K583-T586 PolarHBondContact O-N 3.03Å; K583-T586 VanDerWaalsContact O-N 3.1Å; K583-T586 PolarHBondContact O-OG1 3.35Å; K583-E587 PolarHBondContact O-N 2.8Å |
| 584 | L | 90.5 | Very high | 89.3 | Confident | 90 Ų | 90 | 103.4 Ų | 103.4 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 177.3 | -176.5 | 64.1 | 0 | 0 | 0 | 112.4 | N580 L581 T586 E587 I588 | N580-L584 PolarHBondContact O-N 3.3Å; L581-L584 PolarHBondContact O-N 2.97Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.02Å; L584-E587 PolarHBondContact O-N 3.47Å; L584-I588 HydrophobicContact CD1-CD1 4.44Å; L584-I588 HydrophobicContact CG-CD1 4.11Å; L584-I588 WeakPolarHBondContact O-CG1 3.28Å; L584-I588 PolarHBondContact O-N 3.22Å |
| 585 | I | 88.8 | Confident | 89.1 | Confident | 74 Ų | 74 | 99.3 Ų | 99.3 | 38% | 0.379 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.3 | -70.6 | 167.6 | 0 | 0 | 0 | 110.9 | L581 N582 K583 I588 R589 | L581-I585 WeakPolarHBondContact O-CG1 3.38Å; L581-I585 PolarHBondContact O-N 3.26Å; N582-I585 PolarHBondContact O-N 3.08Å; K583-I585 VanDerWaalsContact C-N 3.34Å; K583-I585 PolarHBondContact O-N 3.41Å; I585-I588 PolarHBondContact O-N 3.37Å; I585-R589 HydrophobicContact CG2-CG 4.48Å; I585-R589 WeakPolarHBondContact O-CB 3.37Å; I585-R589 VanDerWaalsContact O-CG 3.27Å; I585-R589 WeakPolarHBondContact O-CG 3.44Å; I585-R589 PolarHBondContact O-N 2.99Å |
| 586 | T | 88.1 | Confident | 89.1 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 113 | N582 K583 L584 R589 A590 | N582-T586 WeakPolarHBondContact O-CG2 3.16Å; N582-T586 PolarHBondContact O-N 2.77Å; N582-T586 PolarHBondContact O-OG1 2.89Å; K583-T586 PolarHBondContact O-N 3.03Å; K583-T586 VanDerWaalsContact O-N 3.1Å; K583-T586 PolarHBondContact O-OG1 3.35Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.02Å; T586-R589 PolarHBondContact O-N 3Å; T586-A590 PolarHBondContact O-N 3.4Å |
| 587 | E | 89.4 | Confident | 88.8 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -47.9 | 174.5 | -73.6 | 178 | 173.7 | 0 | 0 | 111.5 | K583 L584 R589 A590 D591 | K583-E587 PolarHBondContact O-N 2.8Å; L584-E587 PolarHBondContact O-N 3.47Å; E587-R589 VanDerWaalsContact C-N 3.28Å; E587-R589 PolarHBondContact O-N 3.08Å; E587-A590 WeakPolarHBondContact O-CB 3.46Å; E587-A590 PolarHBondContact O-N 3.03Å; E587-D591 PolarHBondContact O-N 3.17Å |
| 588 | I | 89.6 | Confident | 88.6 | Confident | 88 Ų | 88 | 100 Ų | 100 | 45% | 0.451 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -39.7 | 176.9 | -66.8 | 169 | 0 | 0 | 0 | 111 | L584 I585 D591 N592 | L584-I588 HydrophobicContact CD1-CD1 4.44Å; L584-I588 HydrophobicContact CG-CD1 4.11Å; L584-I588 WeakPolarHBondContact O-CG1 3.28Å; L584-I588 PolarHBondContact O-N 3.22Å; I585-I588 PolarHBondContact O-N 3.37Å; I588-D591 PolarHBondContact O-N 2.96Å; I588-N592 WeakPolarHBondContact O-CB 3.38Å; I588-N592 PolarHBondContact O-N 3.45Å |
| 589 | R | 89.2 | Confident | 88.3 | Confident | 174 Ų | 174 | 98.1 Ų | 98.1 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 175.3 | -76.2 | 174.8 | 179.4 | 179.9 | 2.1 | 112.1 | I585 T586 E587 K593 | I585-R589 HydrophobicContact CG2-CG 4.48Å; I585-R589 WeakPolarHBondContact O-CB 3.37Å; I585-R589 VanDerWaalsContact O-CG 3.27Å; I585-R589 WeakPolarHBondContact O-CG 3.44Å; I585-R589 PolarHBondContact O-N 2.99Å; T586-R589 PolarHBondContact O-N 3Å; E587-R589 VanDerWaalsContact C-N 3.28Å; E587-R589 PolarHBondContact O-N 3.08Å; R589-K593 PolarHBondContact O-N 2.99Å; R589-K593 VanDerWaalsContact O-N 3.11Å |
| 590 | A | 89.2 | Confident | 88 | Confident | 48 Ų | 48 | 98.2 Ų | 98.2 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T586 E587 K593 N594 | T586-A590 PolarHBondContact O-N 3.4Å; E587-A590 WeakPolarHBondContact O-CB 3.46Å; E587-A590 PolarHBondContact O-N 3.03Å; A590-K593 WeakPolarHBondContact O-CB 3.15Å; A590-K593 PolarHBondContact O-N 3Å; A590-N594 PolarHBondContact O-N 3.02Å; A590-N594 PolarHBondContact O-ND2 3.03Å |
| 591 | D | 89.4 | Confident | 87.7 | Confident | 106 Ų | 106 | 98 Ų | 98 | 57% | 0.567 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 177.2 | -82.6 | -11.4 | 0 | 0 | 0 | 112.6 | E587 I588 K593 N594 A595 | E587-D591 PolarHBondContact O-N 3.17Å; I588-D591 PolarHBondContact O-N 2.96Å; D591-K593 VanDerWaalsContact C-N 3.33Å; D591-K593 PolarHBondContact O-N 3Å; D591-N594 WeakPolarHBondContact O-CB 3.38Å; D591-N594 PolarHBondContact O-N 3.29Å; D591-A595 PolarHBondContact O-N 3.06Å |
| 592 | N | 87.5 | Confident | 87.3 | Confident | 102 Ų | 102 | 96.2 Ų | 96.2 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 174.8 | -79.3 | -19.5 | 0 | 0 | 0 | 112.1 | I588 N594 A595 L596 | I588-N592 WeakPolarHBondContact O-CB 3.38Å; I588-N592 PolarHBondContact O-N 3.45Å; N592-N594 VanDerWaalsContact C-N 3.33Å; N592-N594 PolarHBondContact O-N 3.1Å; N592-A595 PolarHBondContact O-N 2.99Å; N592-L596 PolarHBondContact O-N 2.93Å |
| 593 | K | 88.7 | Confident | 87 | Confident | 163 Ų | 163 | 98.1 Ų | 98.1 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 174.4 | -173.5 | 179.4 | 179.4 | -179.2 | 0 | 111.5 | R589 A590 D591 L596 A597 | R589-K593 PolarHBondContact O-N 2.99Å; R589-K593 VanDerWaalsContact O-N 3.11Å; A590-K593 WeakPolarHBondContact O-CB 3.15Å; A590-K593 PolarHBondContact O-N 3Å; D591-K593 VanDerWaalsContact C-N 3.33Å; D591-K593 PolarHBondContact O-N 3Å; K593-L596 PolarHBondContact O-N 2.93Å; K593-A597 PolarHBondContact O-N 3.39Å; K593-A597 VanDerWaalsContact O-N 3.16Å |
| 594 | N | 88.4 | Confident | 86.6 | Confident | 82 Ų | 82 | 99 Ų | 99 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 176.6 | -69.4 | -28.8 | 0 | 0 | 0 | 112.3 | A590 D591 N592 R598 | A590-N594 PolarHBondContact O-N 3.02Å; A590-N594 PolarHBondContact O-ND2 3.03Å; D591-N594 WeakPolarHBondContact O-CB 3.38Å; D591-N594 PolarHBondContact O-N 3.29Å; N592-N594 VanDerWaalsContact C-N 3.33Å; N592-N594 PolarHBondContact O-N 3.1Å; N594-R598 WeakPolarHBondContact O-CG 3.33Å; N594-R598 PolarHBondContact O-N 3.03Å |
| 595 | A | 86.6 | Confident | 86.2 | Confident | 46 Ų | 46 | 101 Ų | 101 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D591 N592 A597 R598 A599 | D591-A595 PolarHBondContact O-N 3.06Å; N592-A595 PolarHBondContact O-N 2.99Å; A595-A597 PolarHBondContact O-N 3.5Å; A595-R598 PolarHBondContact O-N 3.03Å; A595-A599 PolarHBondContact O-N 2.93Å; A595-A599 VanDerWaalsContact O-N 3.11Å |
| 596 | L | 86.6 | Confident | 86 | Confident | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.4 | -46.2 | 177 | -142.4 | 102.3 | 0 | 0 | 0 | 111.5 | N592 K593 R598 A599 E600 | N592-L596 PolarHBondContact O-N 2.93Å; K593-L596 PolarHBondContact O-N 2.93Å; L596-R598 VanDerWaalsContact C-N 3.27Å; L596-R598 PolarHBondContact O-N 3.26Å; L596-A599 WeakPolarHBondContact O-CB 3.32Å; L596-A599 PolarHBondContact O-N 3.28Å; L596-E600 PolarHBondContact O-N 3.01Å |
| 597 | A | 84.7 | Confident | 85.6 | Confident | 53 Ų | 53 | 102.1 Ų | 102.1 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | K593 A595 N601 | K593-A597 PolarHBondContact O-N 3.39Å; K593-A597 VanDerWaalsContact O-N 3.16Å; A595-A597 PolarHBondContact O-N 3.5Å; A597-N601 PolarHBondContact O-N 3.4Å |
| 598 | R | 86 | Confident | 85.3 | Confident | 175 Ų | 175 | 103 Ų | 103 | 66% | 0.66 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.2 | -39.1 | 173.7 | -68.7 | -179.4 | -160.6 | 119.9 | 0.6 | 111.8 | N594 A595 L596 N601 A602 | N594-R598 WeakPolarHBondContact O-CG 3.33Å; N594-R598 PolarHBondContact O-N 3.03Å; A595-R598 PolarHBondContact O-N 3.03Å; L596-R598 VanDerWaalsContact C-N 3.27Å; L596-R598 PolarHBondContact O-N 3.26Å; R598-N601 PolarHBondContact O-N 2.94Å; R598-A602 PolarHBondContact O-N 3.44Å; R598-A602 VanDerWaalsContact O-N 3.16Å |
| 599 | A | 80.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 102.4 Ų | 102.4 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A595 L596 N601 A602 E603 | A595-A599 PolarHBondContact O-N 2.93Å; A595-A599 VanDerWaalsContact O-N 3.11Å; L596-A599 WeakPolarHBondContact O-CB 3.32Å; L596-A599 PolarHBondContact O-N 3.28Å; A599-N601 VanDerWaalsContact C-N 3.31Å; A599-N601 PolarHBondContact O-N 3.22Å; A599-A602 WeakPolarHBondContact O-CB 3.4Å; A599-A602 PolarHBondContact O-N 3.24Å; A599-A602 VanDerWaalsContact O-N 3.1Å; A599-E603 PolarHBondContact O-N 2.65Å |
| 600 | E | 83.4 | Confident | 84.3 | Confident | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 176.6 | -70.4 | 175.8 | 170.2 | 0 | 0 | 112.2 | L596 A602 E603 Q604 | L596-E600 PolarHBondContact O-N 3.01Å; E600-A602 VanDerWaalsContact C-N 3.34Å; E600-A602 PolarHBondContact O-N 3.5Å; E600-E603 PolarHBondContact O-N 2.89Å; E600-Q604 WeakPolarHBondContact O-CG 3.04Å; E600-Q604 PolarHBondContact O-N 2.97Å; E600-Q604 VanDerWaalsContact O-N 3.08Å |
| 601 | N | 86 | Confident | 83.9 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.8 | -34.2 | 177.4 | -164.2 | -11.2 | 0 | 0 | 0 | 112.2 | A597 R598 A599 K605 | A597-N601 PolarHBondContact O-N 3.4Å; R598-N601 PolarHBondContact O-N 2.94Å; A599-N601 VanDerWaalsContact C-N 3.31Å; A599-N601 PolarHBondContact O-N 3.22Å; N601-K605 WeakPolarHBondContact O-CG 3.12Å; N601-K605 PolarHBondContact O-N 3.22Å |
| 602 | A | 82.2 | Confident | 83.4 | Confident | 59 Ų | 59 | 101 Ų | 101 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | R598 A599 E600 K605 L606 | R598-A602 PolarHBondContact O-N 3.44Å; R598-A602 VanDerWaalsContact O-N 3.16Å; A599-A602 WeakPolarHBondContact O-CB 3.4Å; A599-A602 PolarHBondContact O-N 3.24Å; A599-A602 VanDerWaalsContact O-N 3.1Å; E600-A602 VanDerWaalsContact C-N 3.34Å; E600-A602 PolarHBondContact O-N 3.5Å; A602-K605 PolarHBondContact O-N 3.09Å; A602-L606 PolarHBondContact O-N 2.85Å; A602-L606 VanDerWaalsContact O-N 3.08Å |
| 603 | E | 81.4 | Confident | 83 | Confident | 128 Ų | 128 | 101.4 Ų | 101.4 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 177 | -168.5 | 173.1 | -165.9 | 0 | 0 | 112.1 | A599 E600 K605 L606 D607 | A599-E603 PolarHBondContact O-N 2.65Å; E600-E603 PolarHBondContact O-N 2.89Å; E603-K605 VanDerWaalsContact C-N 3.28Å; E603-K605 PolarHBondContact O-N 3.44Å; E603-L606 WeakPolarHBondContact O-CB 3.33Å; E603-L606 PolarHBondContact O-N 3.48Å; E603-L606 VanDerWaalsContact O-N 3.08Å; E603-D607 PolarHBondContact O-N 3.41Å |
| 604 | Q | 83 | Confident | 82.6 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -35.1 | 175 | -70.6 | -179.1 | 12.4 | 0 | 0 | 113.1 | E600 K608 | E600-Q604 WeakPolarHBondContact O-CG 3.04Å; E600-Q604 PolarHBondContact O-N 2.97Å; E600-Q604 VanDerWaalsContact O-N 3.08Å; Q604-K608 WeakPolarHBondContact O-CG 3.26Å; Q604-K608 PolarHBondContact O-N 2.93Å |
| 605 | K | 82.4 | Confident | 82 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.1 | -38.1 | 174.5 | -72.5 | 176.3 | -176.7 | 179.3 | 0 | 111.5 | N601 A602 E603 K608 T609 | N601-K605 WeakPolarHBondContact O-CG 3.12Å; N601-K605 PolarHBondContact O-N 3.22Å; A602-K605 PolarHBondContact O-N 3.09Å; E603-K605 VanDerWaalsContact C-N 3.28Å; E603-K605 PolarHBondContact O-N 3.44Å; K605-K608 PolarHBondContact O-N 3.27Å; K605-T609 PolarHBondContact O-N 2.88Å; K605-T609 VanDerWaalsContact O-N 3.12Å; K605-T609 PolarHBondContact O-OG1 3.22Å |
| 606 | L | 83 | Confident | 81.6 | Confident | 94 Ų | 94 | 105.5 Ų | 105.5 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177 | -178.5 | 63.6 | 0 | 0 | 0 | 111.2 | A602 E603 K608 T609 K610 | A602-L606 PolarHBondContact O-N 2.85Å; A602-L606 VanDerWaalsContact O-N 3.08Å; E603-L606 WeakPolarHBondContact O-CB 3.33Å; E603-L606 PolarHBondContact O-N 3.48Å; E603-L606 VanDerWaalsContact O-N 3.08Å; L606-K608 PolarHBondContact O-N 3.31Å; L606-T609 WeakPolarHBondContact O-CB 3.47Å; L606-T609 PolarHBondContact O-N 2.96Å; L606-T609 VanDerWaalsContact O-N 3.14Å; L606-K610 WeakPolarHBondContact O-CG 3.33Å; L606-K610 PolarHBondContact O-N 3.09Å |
| 607 | D | 80.8 | Confident | 81 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 179.3 | -93 | 5.6 | 0 | 0 | 0 | 113.4 | E603 T609 K610 T611 | E603-D607 PolarHBondContact O-N 3.41Å; D607-T609 VanDerWaalsContact C-N 3.28Å; D607-T609 PolarHBondContact O-N 3.46Å; D607-K610 PolarHBondContact O-N 2.94Å; D607-K610 IonicContact OD1-NZ 3.91Å; D607-K610 PolarHBondContact OD1-NZ 3.47Å; D607-T611 PolarHBondContact O-N 2.87Å; D607-T611 PolarHBondContact O-OG1 3.03Å |
| 608 | K | 83.1 | Confident | 80.5 | Confident | 140 Ų | 140 | 107.3 Ų | 107.3 | 61% | 0.609 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.1 | -42 | 170.5 | -74.5 | 174.8 | -177.5 | 174.8 | 0 | 111.6 | Q604 K605 L606 T611 L612 | Q604-K608 WeakPolarHBondContact O-CG 3.26Å; Q604-K608 PolarHBondContact O-N 2.93Å; K605-K608 PolarHBondContact O-N 3.27Å; L606-K608 PolarHBondContact O-N 3.31Å; K608-T611 PolarHBondContact O-N 3.14Å; K608-L612 WeakPolarHBondContact O-CG 3.41Å; K608-L612 PolarHBondContact O-N 3.32Å; K608-L612 VanDerWaalsContact O-N 3.11Å |
| 609 | T | 77.6 | Confident | 79.8 | Confident | 76 Ų | 76 | 104 Ų | 104 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | -179.7 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | K605 L606 D607 T611 L612 L613 | K605-T609 PolarHBondContact O-N 2.88Å; K605-T609 VanDerWaalsContact O-N 3.12Å; K605-T609 PolarHBondContact O-OG1 3.22Å; L606-T609 WeakPolarHBondContact O-CB 3.47Å; L606-T609 PolarHBondContact O-N 2.96Å; L606-T609 VanDerWaalsContact O-N 3.14Å; D607-T609 VanDerWaalsContact C-N 3.28Å; D607-T609 PolarHBondContact O-N 3.46Å; T609-T611 VanDerWaalsContact C-N 3.29Å; T609-T611 PolarHBondContact O-N 3.24Å; T609-L612 PolarHBondContact O-N 3.22Å; T609-L613 PolarHBondContact O-N 3.24Å |
| 610 | K | 79.6 | Confident | 78.5 | Confident | 103 Ų | 103 | 106.9 Ų | 106.9 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 173.3 | -71.6 | 175.3 | -175.7 | 163.4 | 0 | 112.4 | L606 D607 R614 | L606-K610 WeakPolarHBondContact O-CG 3.33Å; L606-K610 PolarHBondContact O-N 3.09Å; D607-K610 PolarHBondContact O-N 2.94Å; D607-K610 IonicContact OD1-NZ 3.91Å; D607-K610 PolarHBondContact OD1-NZ 3.47Å; K610-R614 PolarHBondContact O-N 3.26Å |
| 611 | T | 80.2 | Confident | 77.5 | Confident | 73 Ų | 73 | 109.1 Ų | 109.1 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | -179.2 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | D607 K608 T609 R614 N615 | D607-T611 PolarHBondContact O-N 2.87Å; D607-T611 PolarHBondContact O-OG1 3.03Å; K608-T611 PolarHBondContact O-N 3.14Å; T609-T611 VanDerWaalsContact C-N 3.29Å; T609-T611 PolarHBondContact O-N 3.24Å; T611-R614 PolarHBondContact O-N 3.01Å; T611-N615 PolarHBondContact O-N 3.35Å |
| 612 | L | 78.6 | Confident | 76.5 | Confident | 122 Ų | 122 | 112.9 Ų | 112.9 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 176.7 | -73.1 | 169.7 | 0 | 0 | 0 | 112.7 | K608 T609 N615 R616 | K608-L612 WeakPolarHBondContact O-CG 3.41Å; K608-L612 PolarHBondContact O-N 3.32Å; K608-L612 VanDerWaalsContact O-N 3.11Å; T609-L612 PolarHBondContact O-N 3.22Å; L612-N615 PolarHBondContact O-N 2.89Å; L612-R616 PolarHBondContact O-N 3.22Å |
| 613 | L | 80 | Confident | 75.2 | Confident | 112 Ų | 112 | 116.4 Ų | 116.4 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 176.5 | -75.5 | 167.1 | 0 | 0 | 0 | 111.8 | T609 N615 R616 E617 | T609-L613 PolarHBondContact O-N 3.24Å; L613-N615 VanDerWaalsContact C-N 3.3Å; L613-N615 PolarHBondContact O-N 2.96Å; L613-R616 WeakPolarHBondContact O-CB 3.41Å; L613-R616 PolarHBondContact O-N 3.14Å; L613-R616 VanDerWaalsContact O-N 3.16Å; L613-E617 PolarHBondContact O-N 3.01Å; L613-E617 VanDerWaalsContact O-N 3.16Å |
| 614 | R | 79.3 | Confident | 73.9 | Confident | 164 Ų | 164 | 117.1 Ų | 117.1 | 62% | 0.619 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62 | -36.5 | 179.6 | -159.6 | -179.6 | -76.1 | 140.2 | -7.6 | 112.3 | K610 T611 T618 | K610-R614 PolarHBondContact O-N 3.26Å; T611-R614 PolarHBondContact O-N 3.01Å; R614-T618 PolarHBondContact O-N 2.93Å |
| 615 | N | 77.2 | Confident | 72.4 | Confident | 89 Ų | 89 | 118.4 Ų | 118.4 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67 | -40.8 | 175.7 | -69.5 | -10.4 | 0 | 0 | 0 | 112 | T611 L612 L613 E617 T618 E619 | T611-N615 PolarHBondContact O-N 3.35Å; L612-N615 PolarHBondContact O-N 2.89Å; L613-N615 VanDerWaalsContact C-N 3.3Å; L613-N615 PolarHBondContact O-N 2.96Å; N615-E617 VanDerWaalsContact C-N 3.33Å; N615-E617 PolarHBondContact O-N 3.47Å; N615-T618 PolarHBondContact O-N 2.92Å; N615-T618 PolarHBondContact O-OG1 3.24Å; N615-E619 PolarHBondContact O-N 2.9Å |
| 616 | R | 78.4 | Confident | 70.6 | Confident | 123 Ų | 123 | 119.1 Ų | 119.1 | 46% | 0.464 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63 | -38.6 | 179.5 | -164.3 | 76.3 | 159 | 86.2 | 13.6 | 112.3 | L612 L613 T618 E619 Y620 | L612-R616 PolarHBondContact O-N 3.22Å; L613-R616 WeakPolarHBondContact O-CB 3.41Å; L613-R616 PolarHBondContact O-N 3.14Å; L613-R616 VanDerWaalsContact O-N 3.16Å; R616-T618 VanDerWaalsContact C-N 3.32Å; R616-T618 PolarHBondContact O-N 2.87Å; R616-E619 PolarHBondContact O-N 3.33Å; R616-Y620 HydrophobicContact CG-CD2 4.36Å; R616-Y620 HydrophobicContact CG-CE2 4.04Å; R616-Y620 VanDerWaalsContact NH1-CE2 3.35Å; R616-Y620 PolarHBondContact NH1-OH 2.9Å; R616-Y620 PolarHBondContact NH2-OH 3.3Å; R616-Y620 VanDerWaalsContact NH2-OH 3.08Å; R616-Y620 WeakPolarHBondContact O-CD2 3.49Å; R616-Y620 PolarHBondContact O-N 3Å |
| 617 | E | 73.8 | Confident | 68.4 | Low | 136 Ų | 136 | 125.2 Ų | 125.2 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.7 | -41.1 | 175.3 | -76 | 175.6 | 157.3 | 0 | 0 | 111.7 | L613 N615 E619 Y620 E621 | L613-E617 PolarHBondContact O-N 3.01Å; L613-E617 VanDerWaalsContact O-N 3.16Å; N615-E617 VanDerWaalsContact C-N 3.33Å; N615-E617 PolarHBondContact O-N 3.47Å; E617-E619 VanDerWaalsContact C-N 3.28Å; E617-E619 PolarHBondContact O-N 2.95Å; E617-Y620 PolarHBondContact O-N 2.97Å; E617-E621 PolarHBondContact O-N 2.98Å |
| 618 | T | 74.7 | Confident | 66.3 | Low | 68 Ų | 68 | 131.8 Ų | 131.8 | 42% | 0.417 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.6 | -21.6 | 178.3 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | R614 N615 R616 | R614-T618 PolarHBondContact O-N 2.93Å; N615-T618 PolarHBondContact O-N 2.92Å; N615-T618 PolarHBondContact O-OG1 3.24Å; R616-T618 VanDerWaalsContact C-N 3.32Å; R616-T618 PolarHBondContact O-N 2.87Å |
| 619 | E | 70.8 | Confident | 64.6 | Low | 105 Ų | 105 | 135.2 Ų | 135.2 | 49% | 0.491 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.5 | -43.3 | 173.8 | -71 | 178.1 | 164 | 0 | 0 | 111.2 | N615 R616 E617 E621 K622 E623 | N615-E619 PolarHBondContact O-N 2.9Å; R616-E619 PolarHBondContact O-N 3.33Å; E617-E619 VanDerWaalsContact C-N 3.28Å; E617-E619 PolarHBondContact O-N 2.95Å; E619-E621 VanDerWaalsContact C-N 3.3Å; E619-E621 PolarHBondContact O-N 2.92Å; E619-K622 PolarHBondContact O-N 3.32Å; E619-K622 VanDerWaalsContact O-N 3.17Å; E619-E623 PolarHBondContact O-N 2.77Å |
| 620 | Y | 54 | Low | 63.5 | Low | 121 Ų | 121 | 137 Ų | 137 | 48% | 0.475 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.1 | -35.3 | 178.3 | -83 | -61.7 | 0 | 0 | 0 | 113 | R616 E617 K622 E623 L624 | R616-Y620 HydrophobicContact CG-CD2 4.36Å; R616-Y620 HydrophobicContact CG-CE2 4.04Å; R616-Y620 VanDerWaalsContact NH1-CE2 3.35Å; R616-Y620 PolarHBondContact NH1-OH 2.9Å; R616-Y620 PolarHBondContact NH2-OH 3.3Å; R616-Y620 VanDerWaalsContact NH2-OH 3.08Å; R616-Y620 WeakPolarHBondContact O-CD2 3.49Å; R616-Y620 PolarHBondContact O-N 3Å; E617-Y620 PolarHBondContact O-N 2.97Å; Y620-K622 PolarHBondContact O-N 2.94Å; Y620-E623 PolarHBondContact O-N 2.9Å; Y620-L624 PolarHBondContact O-N 3.29Å |
| 621 | E | 62.5 | Low | 61.9 | Low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.9 | -28.1 | 178.1 | -156.4 | 166.8 | -160.9 | 0 | 0 | 112.4 | E617 E619 | E617-E621 PolarHBondContact O-N 2.98Å; E619-E621 VanDerWaalsContact C-N 3.3Å; E619-E621 PolarHBondContact O-N 2.92Å |
| 622 | K | 63.4 | Low | 60.3 | Low | 165 Ų | 165 | 139.7 Ų | 139.7 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.7 | -33.3 | 175.5 | -68.7 | 174.8 | -176.5 | 172.4 | 0 | 113 | E619 Y620 L624 | E619-K622 PolarHBondContact O-N 3.32Å; E619-K622 VanDerWaalsContact O-N 3.17Å; Y620-K622 PolarHBondContact O-N 2.94Å; K622-L624 VanDerWaalsContact C-N 3.34Å |
| 623 | E | 54.9 | Low | 59.3 | Low | 133 Ų | 133 | 138.5 Ų | 138.5 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72 | -26.9 | -179.2 | -72.1 | -177.6 | 165.4 | 0 | 0 | 113.1 | E619 Y620 N625 | E619-E623 PolarHBondContact O-N 2.77Å; Y620-E623 PolarHBondContact O-N 2.9Å; E623-N625 VanDerWaalsContact C-N 3.32Å; E623-N625 PolarHBondContact O-N 2.75Å |
| 624 | L | 54.3 | Low | 58.2 | Low | 144 Ų | 144 | 139.7 Ų | 139.7 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -19.6 | -175.1 | -138.1 | 81.7 | 0 | 0 | 0 | 113.9 | Y620 K622 N626 | Y620-L624 PolarHBondContact O-N 3.29Å; K622-L624 VanDerWaalsContact C-N 3.34Å; L624-N626 PolarHBondContact O-N 2.92Å; L624-N626 VanDerWaalsContact O-N 3.14Å |
| 625 | N | 52.4 | Low | 57.1 | Low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 4.1 | -171.4 | -121.6 | 5.5 | 0 | 0 | 0 | 115.2 | E623 | E623-N625 VanDerWaalsContact C-N 3.32Å; E623-N625 PolarHBondContact O-N 2.75Å |
| 626 | N | 44.5 | Very low | 56.5 | Low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -119.6 | 41.8 | -175.2 | -86.1 | -14 | 0 | 0 | 0 | 114.2 | L624 | L624-N626 PolarHBondContact O-N 2.92Å; L624-N626 VanDerWaalsContact O-N 3.14Å |
| 627 | R | 35.7 | Very low | 56.2 | Low | 222 Ų | 222 | 137.3 Ų | 137.3 | 84% | 0.838 | 66% | 0.663 | S | S | * | * | trans | -133.6 | 156.2 | 179.5 | -65.7 | -168.9 | -178.7 | -131.6 | 1.9 | 115.4 | ||||
| 628 | Y | 36.8 | Very low | 56.1 | Low | 223 Ų | 223 | 137.8 Ų | 137.8 | 88% | 0.875 | 66% | 0.664 | S | S | * | * | trans | -70.4 | 155.8 | -158.4 | -72.4 | -94.4 | 0 | 0 | 0 | 116.8 | ||||
| 629 | K | 47.8 | Very low | 56.1 | Low | 213 Ų | 213 | 137 Ų | 137 | 93% | 0.926 | 66% | 0.656 | S | S | * | * | trans | -76.5 | 153.9 | -171.8 | -67.3 | -178.6 | 176.4 | -178.1 | 0 | 114.8 | ||||
| 630 | L | 55.7 | Low | 56.6 | Low | 113 Ų | 113 | 135 Ų | 135 | 59% | 0.592 | 65% | 0.654 | S | S | * | * | trans | -101.9 | -4 | -149.6 | -97 | 99.6 | 0 | 0 | 0 | 119.7 | S632 L635 I639 | L630-S632 PolarHBondContact O-N 3.37Å; L630-S632 VanDerWaalsContact O-N 3.1Å; L630-L635 HydrophobicContact CG-CD2 4.48Å; L630-I639 HydrophobicContact CD2-CD1 3.94Å | ||
| 631 | D | 45.6 | Very low | 57.9 | Low | 175 Ų | 175 | 132.1 Ų | 132.1 | 94% | 0.936 | 66% | 0.656 | S | S | * | * | trans | -92.7 | 56.4 | -163.6 | -71.4 | -26.5 | 0 | 0 | 0 | 116.1 | ||||
| 632 | S | 46.1 | Very low | 58.9 | Low | 58 Ų | 58 | 129.8 Ų | 129.8 | 41% | 0.406 | 64% | 0.643 | S | S | . | * | trans | -110.1 | 132.7 | 165.5 | -154.8 | 0 | 0 | 0 | 0 | 111.5 | L630 E634 L635 S636 | L630-S632 PolarHBondContact O-N 3.37Å; L630-S632 VanDerWaalsContact O-N 3.1Å; S632-E634 VanDerWaalsContact C-N 3.32Å; S632-E634 PolarHBondContact O-N 3.21Å; S632-E634 PolarHBondContact OG-OE2 2.98Å; S632-L635 WeakPolarHBondContact O-CA 3.38Å; S632-L635 VanDerWaalsContact O-CB 3.27Å; S632-L635 WeakPolarHBondContact O-CB 3.42Å; S632-L635 PolarHBondContact O-N 3.01Å; S632-S636 PolarHBondContact O-N 3.34Å | ||
| 633 | P | 56.7 | Low | 60.1 | Low | 97 Ų | 97 | 125.2 Ų | 125.2 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66 | -26.5 | -175.6 | 24.1 | -32.5 | 0 | 0 | 0 | 114.3 | S636 K637 | P633-S636 PolarHBondContact O-N 3.25Å; P633-K637 PolarHBondContact O-N 3.44Å |
| 634 | E | 56.8 | Low | 61.5 | Low | 137 Ų | 137 | 123 Ų | 123 | 64% | 0.64 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.8 | -37 | 171.3 | -57.8 | 79.4 | -168.1 | 0 | 0 | 111.6 | S632 F638 | S632-E634 VanDerWaalsContact C-N 3.32Å; S632-E634 PolarHBondContact O-N 3.21Å; S632-E634 PolarHBondContact OG-OE2 2.98Å; E634-F638 PolarHBondContact O-N 3.41Å |
| 635 | L | 56.5 | Low | 63.1 | Low | 72 Ų | 72 | 121.3 Ų | 121.3 | 38% | 0.377 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.2 | -40.6 | 174.1 | -167.6 | 74.3 | 0 | 0 | 0 | 109.8 | L630 S632 K637 F638 I639 | L630-L635 HydrophobicContact CG-CD2 4.48Å; S632-L635 WeakPolarHBondContact O-CA 3.38Å; S632-L635 VanDerWaalsContact O-CB 3.27Å; S632-L635 WeakPolarHBondContact O-CB 3.42Å; S632-L635 PolarHBondContact O-N 3.01Å; L635-K637 VanDerWaalsContact C-N 3.32Å; L635-K637 PolarHBondContact O-N 3.2Å; L635-F638 PolarHBondContact O-N 3.35Å; L635-I639 HydrophobicContact CD1-CD1 4.25Å; L635-I639 HydrophobicContact CD1-CG1 4.35Å; L635-I639 HydrophobicContact CD2-CD1 3.7Å; L635-I639 HydrophobicContact CG-CD1 3.49Å; L635-I639 VanDerWaalsContact CG-CD1 3.49Å; L635-I639 HydrophobicContact CG-CG1 3.94Å; L635-I639 WeakPolarHBondContact O-CA 3.44Å; L635-I639 WeakPolarHBondContact O-CB 3.3Å; L635-I639 WeakPolarHBondContact O-CG1 3.46Å; L635-I639 PolarHBondContact O-N 3.16Å |
| 636 | S | 65.9 | Low | 64.9 | Low | 79 Ų | 79 | 117.3 Ų | 117.3 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.3 | -35.2 | 179.9 | -154.2 | 0 | 0 | 0 | 0 | 113.4 | S632 P633 S640 | S632-S636 PolarHBondContact O-N 3.34Å; P633-S636 PolarHBondContact O-N 3.25Å; S636-S640 VanDerWaalsContact O-CB 3.32Å; S636-S640 WeakPolarHBondContact O-CB 3.42Å; S636-S640 PolarHBondContact O-N 3.2Å |
| 637 | K | 72.3 | Confident | 67.1 | Low | 174 Ų | 174 | 118.1 Ų | 118.1 | 76% | 0.757 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.8 | -39.7 | 178.6 | -140.7 | 176.5 | -171.5 | 177.7 | 0 | 112.1 | P633 L635 S640 A641 | P633-K637 PolarHBondContact O-N 3.44Å; L635-K637 VanDerWaalsContact C-N 3.32Å; L635-K637 PolarHBondContact O-N 3.2Å; K637-S640 PolarHBondContact O-N 2.96Å; K637-A641 PolarHBondContact O-N 3.46Å |
| 638 | F | 70.4 | Confident | 69.7 | Low | 147 Ų | 147 | 110.7 Ų | 110.7 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.9 | -42 | 173.2 | -174.2 | -96.1 | 0 | 0 | 0 | 111.6 | E634 L635 K642 | E634-F638 PolarHBondContact O-N 3.41Å; L635-F638 PolarHBondContact O-N 3.35Å; F638-K642 WeakPolarHBondContact O-CB 3.26Å; F638-K642 PolarHBondContact O-N 3.28Å |
| 639 | I | 75.6 | Confident | 72.2 | Confident | 51 Ų | 51 | 105 Ų | 105 | 26% | 0.262 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 172.4 | -75.3 | 178.3 | 0 | 0 | 0 | 109.5 | L630 L635 A641 K642 I643 | L630-I639 HydrophobicContact CD2-CD1 3.94Å; L635-I639 HydrophobicContact CD1-CD1 4.25Å; L635-I639 HydrophobicContact CD1-CG1 4.35Å; L635-I639 HydrophobicContact CD2-CD1 3.7Å; L635-I639 HydrophobicContact CG-CD1 3.49Å; L635-I639 VanDerWaalsContact CG-CD1 3.49Å; L635-I639 HydrophobicContact CG-CG1 3.94Å; L635-I639 WeakPolarHBondContact O-CA 3.44Å; L635-I639 WeakPolarHBondContact O-CB 3.3Å; L635-I639 WeakPolarHBondContact O-CG1 3.46Å; L635-I639 PolarHBondContact O-N 3.16Å; I639-A641 PolarHBondContact O-N 3.11Å; I639-K642 CarbonylContact O-C 3.6Å; I639-K642 PolarHBondContact O-N 2.92Å; I639-I643 HydrophobicContact CG2-CD1 3.32Å; I639-I643 HydrophobicContact CG2-CG1 3.91Å; I639-I643 WeakPolarHBondContact O-CB 3.36Å; I639-I643 WeakPolarHBondContact O-CG1 3.47Å; I639-I643 PolarHBondContact O-N 3.18Å |
| 640 | S | 81.2 | Confident | 74.2 | Confident | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | -179.3 | -159.4 | 0 | 0 | 0 | 0 | 112.1 | S636 K637 K642 I643 D644 | S636-S640 VanDerWaalsContact O-CB 3.32Å; S636-S640 WeakPolarHBondContact O-CB 3.42Å; S636-S640 PolarHBondContact O-N 3.2Å; K637-S640 PolarHBondContact O-N 2.96Å; S640-K642 VanDerWaalsContact C-N 3.31Å; S640-K642 PolarHBondContact O-N 3.29Å; S640-I643 PolarHBondContact O-N 3.04Å; S640-D644 VanDerWaalsContact O-CG 3.26Å; S640-D644 PolarHBondContact O-N 3.23Å |
| 641 | A | 81.9 | Confident | 76 | Confident | 62 Ų | 62 | 100.4 Ų | 100.4 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K637 I639 L645 | K637-A641 PolarHBondContact O-N 3.46Å; I639-A641 PolarHBondContact O-N 3.11Å; A641-L645 WeakPolarHBondContact O-CB 3.43Å; A641-L645 PolarHBondContact O-N 3.09Å; A641-L645 VanDerWaalsContact O-N 3.08Å |
| 642 | K | 83.4 | Confident | 78.2 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.8 | -38.4 | 176.3 | -165.2 | 59.4 | 179.4 | 163.4 | 0 | 111.5 | F638 I639 S640 D644 L645 E646 | F638-K642 WeakPolarHBondContact O-CB 3.26Å; F638-K642 PolarHBondContact O-N 3.28Å; I639-K642 CarbonylContact O-C 3.6Å; I639-K642 PolarHBondContact O-N 2.92Å; S640-K642 VanDerWaalsContact C-N 3.31Å; S640-K642 PolarHBondContact O-N 3.29Å; K642-D644 VanDerWaalsContact C-N 3.35Å; K642-L645 HydrophobicContact CD-CD2 4.47Å; K642-L645 PolarHBondContact O-N 3.15Å; K642-E646 WeakPolarHBondContact O-CB 3.47Å; K642-E646 PolarHBondContact O-N 3.05Å |
| 643 | I | 86.8 | Confident | 80.4 | Confident | 70 Ų | 70 | 99.6 Ų | 99.6 | 36% | 0.359 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 172.7 | -76.7 | 174.5 | 0 | 0 | 0 | 110.2 | I639 S640 E646 R647 | I639-I643 HydrophobicContact CG2-CD1 3.32Å; I639-I643 HydrophobicContact CG2-CG1 3.91Å; I639-I643 WeakPolarHBondContact O-CB 3.36Å; I639-I643 WeakPolarHBondContact O-CG1 3.47Å; I639-I643 PolarHBondContact O-N 3.18Å; S640-I643 PolarHBondContact O-N 3.04Å; I643-E646 PolarHBondContact O-N 3.15Å; I643-R647 HydrophobicContact CG2-CG 4.12Å; I643-R647 WeakPolarHBondContact O-CB 3.44Å; I643-R647 WeakPolarHBondContact O-CG 3.48Å; I643-R647 PolarHBondContact O-N 3.42Å |
| 644 | D | 86 | Confident | 82.1 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -41.7 | -179.1 | -68.1 | -28.8 | 0 | 0 | 0 | 111.5 | S640 K642 E646 R647 A648 | S640-D644 VanDerWaalsContact O-CG 3.26Å; S640-D644 PolarHBondContact O-N 3.23Å; K642-D644 VanDerWaalsContact C-N 3.35Å; D644-E646 VanDerWaalsContact C-N 3.34Å; D644-R647 PolarHBondContact O-N 3.07Å; D644-A648 WeakPolarHBondContact O-CB 3.19Å; D644-A648 PolarHBondContact O-N 2.7Å |
| 645 | L | 88 | Confident | 83.8 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 173.5 | -171 | 118.8 | 0 | 0 | 0 | 111.5 | A641 K642 A648 H649 | A641-L645 WeakPolarHBondContact O-CB 3.43Å; A641-L645 PolarHBondContact O-N 3.09Å; A641-L645 VanDerWaalsContact O-N 3.08Å; K642-L645 HydrophobicContact CD-CD2 4.47Å; K642-L645 PolarHBondContact O-N 3.15Å; L645-A648 PolarHBondContact O-N 3.08Å; L645-H649 PolarHBondContact O-N 2.99Å |
| 646 | E | 88.5 | Confident | 85.6 | Confident | 64 Ų | 64 | 96.2 Ų | 96.2 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 178.5 | -162.7 | 76.1 | -160.8 | 0 | 0 | 111.5 | K642 I643 D644 H649 Y650 | K642-E646 WeakPolarHBondContact O-CB 3.47Å; K642-E646 PolarHBondContact O-N 3.05Å; I643-E646 PolarHBondContact O-N 3.15Å; D644-E646 VanDerWaalsContact C-N 3.34Å; E646-H649 WeakPolarHBondContact O-CB 3.33Å; E646-H649 PolarHBondContact O-N 2.87Å; E646-Y650 HydrophobicContact CB-CE2 4.45Å; E646-Y650 HydrophobicContact CG-CD2 3.78Å; E646-Y650 HydrophobicContact CG-CE2 3.24Å; E646-Y650 WeakPolarHBondContact O-CD2 3.42Å; E646-Y650 PolarHBondContact O-N 3.03Å; E646-Y650 WeakPolarHBondContact OE1-CE2 3.03Å; E646-Y650 PolarHBondContact OE1-OH 3.16Å |
| 647 | R | 91.5 | Very high | 86.9 | Confident | 165 Ų | 165 | 97.8 Ų | 97.8 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 172.2 | -81.6 | 176 | 179.5 | 172.1 | -0.4 | 111.3 | I643 D644 H649 Y650 Q651 | I643-R647 HydrophobicContact CG2-CG 4.12Å; I643-R647 WeakPolarHBondContact O-CB 3.44Å; I643-R647 WeakPolarHBondContact O-CG 3.48Å; I643-R647 PolarHBondContact O-N 3.42Å; D644-R647 PolarHBondContact O-N 3.07Å; R647-H649 VanDerWaalsContact C-N 3.32Å; R647-Y650 PolarHBondContact O-N 2.69Å; R647-Q651 VanDerWaalsContact O-CB 3.22Å; R647-Q651 WeakPolarHBondContact O-CB 3.24Å; R647-Q651 PolarHBondContact O-N 3.37Å |
| 648 | A | 89.7 | Confident | 87.9 | Confident | 66 Ų | 66 | 94.5 Ų | 94.5 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D644 L645 K652 | D644-A648 WeakPolarHBondContact O-CB 3.19Å; D644-A648 PolarHBondContact O-N 2.7Å; L645-A648 PolarHBondContact O-N 3.08Å; A648-K652 WeakPolarHBondContact O-CB 3.39Å; A648-K652 PolarHBondContact O-N 2.64Å; A648-K652 VanDerWaalsContact O-N 3.1Å |
| 649 | H | 90.1 | Very high | 89 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -52.4 | 173.5 | -170 | -74.2 | 0 | 0 | 0 | 111.5 | L645 E646 R647 Q651 K652 D653 | L645-H649 PolarHBondContact O-N 2.99Å; E646-H649 WeakPolarHBondContact O-CB 3.33Å; E646-H649 PolarHBondContact O-N 2.87Å; R647-H649 VanDerWaalsContact C-N 3.32Å; H649-Q651 VanDerWaalsContact C-N 3.31Å; H649-Q651 PolarHBondContact O-N 2.95Å; H649-K652 WeakPolarHBondContact O-CB 3.13Å; H649-K652 PolarHBondContact O-N 3.36Å; H649-D653 IonicContact CE1-OD1 3.79Å; H649-D653 IonicContact CE1-OD2 3.02Å; H649-D653 PolarHBondContact CE1-OD2 3.03Å; H649-D653 IonicContact ND1-OD2 2.89Å; H649-D653 PolarHBondContact ND1-OD2 3.4Å; H649-D653 PolarHBondContact O-N 2.9Å |
| 650 | Y | 90.6 | Very high | 89.9 | Confident | 128 Ų | 128 | 97.1 Ų | 97.1 | 50% | 0.502 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 178.6 | -71 | -49.2 | 0 | 0 | 0 | 112.8 | E646 R647 D653 I654 | E646-Y650 HydrophobicContact CB-CE2 4.45Å; E646-Y650 HydrophobicContact CG-CD2 3.78Å; E646-Y650 HydrophobicContact CG-CE2 3.24Å; E646-Y650 WeakPolarHBondContact O-CD2 3.42Å; E646-Y650 PolarHBondContact O-N 3.03Å; E646-Y650 WeakPolarHBondContact OE1-CE2 3.03Å; E646-Y650 PolarHBondContact OE1-OH 3.16Å; R647-Y650 PolarHBondContact O-N 2.69Å; Y650-D653 PolarHBondContact O-N 3.41Å; Y650-I654 WeakPolarHBondContact O-CB 3.05Å; Y650-I654 WeakPolarHBondContact O-CD1 3.27Å; Y650-I654 WeakPolarHBondContact O-CG1 3.38Å; Y650-I654 PolarHBondContact O-N 2.91Å |
| 651 | Q | 91.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 99.6 Ų | 99.6 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 175 | -173.4 | 60.8 | 52.4 | 0 | 0 | 110.9 | R647 H649 D653 I654 D655 | R647-Q651 VanDerWaalsContact O-CB 3.22Å; R647-Q651 WeakPolarHBondContact O-CB 3.24Å; R647-Q651 PolarHBondContact O-N 3.37Å; H649-Q651 VanDerWaalsContact C-N 3.31Å; H649-Q651 PolarHBondContact O-N 2.95Å; Q651-D653 VanDerWaalsContact C-N 3.32Å; Q651-D653 PolarHBondContact O-N 2.93Å; Q651-I654 PolarHBondContact O-N 3.33Å; Q651-D655 PolarHBondContact NE2-OD1 3.29Å; Q651-D655 PolarHBondContact O-N 3.35Å |
| 652 | K | 91.9 | Very high | 91.2 | Very high | 157 Ų | 157 | 101.2 Ų | 101.2 | 68% | 0.683 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 175.3 | -172.9 | -178.5 | 179.1 | -177.9 | 0 | 112.1 | A648 H649 D655 L656 | A648-K652 WeakPolarHBondContact O-CB 3.39Å; A648-K652 PolarHBondContact O-N 2.64Å; A648-K652 VanDerWaalsContact O-N 3.1Å; H649-K652 WeakPolarHBondContact O-CB 3.13Å; H649-K652 PolarHBondContact O-N 3.36Å; K652-D655 PolarHBondContact O-N 3.37Å; K652-L656 WeakPolarHBondContact O-CB 3.14Å; K652-L656 PolarHBondContact O-N 3.04Å |
| 653 | D | 92.8 | Very high | 91.7 | Very high | 58 Ų | 58 | 100.9 Ų | 100.9 | 31% | 0.31 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 175.9 | -69.3 | -25.3 | 0 | 0 | 0 | 111.6 | H649 Y650 Q651 L656 L657 | H649-D653 IonicContact CE1-OD1 3.79Å; H649-D653 IonicContact CE1-OD2 3.02Å; H649-D653 PolarHBondContact CE1-OD2 3.03Å; H649-D653 IonicContact ND1-OD2 2.89Å; H649-D653 PolarHBondContact ND1-OD2 3.4Å; H649-D653 PolarHBondContact O-N 2.9Å; Y650-D653 PolarHBondContact O-N 3.41Å; Q651-D653 VanDerWaalsContact C-N 3.32Å; Q651-D653 PolarHBondContact O-N 2.93Å; D653-L656 PolarHBondContact O-N 3.26Å; D653-L657 WeakPolarHBondContact O-CB 3.29Å; D653-L657 VanDerWaalsContact O-CG 3.24Å; D653-L657 WeakPolarHBondContact O-CG 3.41Å; D653-L657 PolarHBondContact O-N 2.96Å |
| 654 | I | 92 | Very high | 92.1 | Very high | 74 Ų | 74 | 99.7 Ų | 99.7 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 174.1 | -73 | 164.9 | 0 | 0 | 0 | 110.2 | Y650 Q651 L656 L657 Q658 | Y650-I654 WeakPolarHBondContact O-CB 3.05Å; Y650-I654 WeakPolarHBondContact O-CD1 3.27Å; Y650-I654 WeakPolarHBondContact O-CG1 3.38Å; Y650-I654 PolarHBondContact O-N 2.91Å; Q651-I654 PolarHBondContact O-N 3.33Å; I654-L656 VanDerWaalsContact C-N 3.35Å; I654-L656 PolarHBondContact O-N 2.93Å; I654-L657 PolarHBondContact O-N 2.98Å; I654-Q658 HydrophobicContact CG2-CG 4.34Å; I654-Q658 WeakPolarHBondContact O-CB 3.42Å; I654-Q658 VanDerWaalsContact O-CG 3.3Å; I654-Q658 WeakPolarHBondContact O-CG 3.26Å; I654-Q658 PolarHBondContact O-N 2.9Å |
| 655 | D | 93.4 | Very high | 92.6 | Very high | 78 Ų | 78 | 99 Ų | 99 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.7 | -63.3 | -15.9 | 0 | 0 | 0 | 110.9 | Q651 K652 Q658 E659 | Q651-D655 PolarHBondContact NE2-OD1 3.29Å; Q651-D655 PolarHBondContact O-N 3.35Å; K652-D655 PolarHBondContact O-N 3.37Å; D655-Q658 PolarHBondContact O-N 3.48Å; D655-E659 PolarHBondContact O-N 3.49Å |
| 656 | L | 93.6 | Very high | 92.9 | Very high | 83 Ų | 83 | 100.5 Ų | 100.5 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.1 | -174.3 | 70.2 | 0 | 0 | 0 | 112.4 | K652 D653 I654 E659 K660 | K652-L656 WeakPolarHBondContact O-CB 3.14Å; K652-L656 PolarHBondContact O-N 3.04Å; D653-L656 PolarHBondContact O-N 3.26Å; I654-L656 VanDerWaalsContact C-N 3.35Å; I654-L656 PolarHBondContact O-N 2.93Å; L656-E659 PolarHBondContact O-N 3.19Å; L656-K660 WeakPolarHBondContact O-CG 3.37Å; L656-K660 PolarHBondContact O-N 2.91Å |
| 657 | L | 92.7 | Very high | 93.2 | Very high | 113 Ų | 113 | 104.5 Ų | 104.5 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 175.6 | -75.1 | 171 | 0 | 0 | 0 | 111.6 | D653 I654 K660 L661 | D653-L657 WeakPolarHBondContact O-CB 3.29Å; D653-L657 VanDerWaalsContact O-CG 3.24Å; D653-L657 WeakPolarHBondContact O-CG 3.41Å; D653-L657 PolarHBondContact O-N 2.96Å; I654-L657 PolarHBondContact O-N 2.98Å; L657-K660 PolarHBondContact O-N 3.31Å; L657-L661 VanDerWaalsContact O-CB 3.25Å; L657-L661 WeakPolarHBondContact O-CB 3.12Å; L657-L661 PolarHBondContact O-N 2.94Å |
| 658 | Q | 93.8 | Very high | 93.3 | Very high | 105 Ų | 105 | 103.8 Ų | 103.8 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -42 | 173.3 | -75.6 | 178.9 | -0.2 | 0 | 0 | 111.3 | I654 D655 L661 I662 | I654-Q658 HydrophobicContact CG2-CG 4.34Å; I654-Q658 WeakPolarHBondContact O-CB 3.42Å; I654-Q658 VanDerWaalsContact O-CG 3.3Å; I654-Q658 WeakPolarHBondContact O-CG 3.26Å; I654-Q658 PolarHBondContact O-N 2.9Å; D655-Q658 PolarHBondContact O-N 3.48Å; Q658-L661 WeakPolarHBondContact O-CB 3.16Å; Q658-L661 PolarHBondContact O-N 3.29Å; Q658-I662 VanDerWaalsContact O-CG1 3.26Å; Q658-I662 WeakPolarHBondContact O-CG1 3.37Å; Q658-I662 PolarHBondContact O-N 3.15Å |
| 659 | E | 93.7 | Very high | 93.6 | Very high | 131 Ų | 131 | 103.7 Ų | 103.7 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -47.4 | 175 | -171.9 | 178.6 | -167.6 | 0 | 0 | 111.6 | D655 L656 L661 I662 E663 | D655-E659 PolarHBondContact O-N 3.49Å; L656-E659 PolarHBondContact O-N 3.19Å; E659-L661 VanDerWaalsContact C-N 3.29Å; E659-L661 PolarHBondContact O-N 3.15Å; E659-I662 PolarHBondContact O-N 2.88Å; E659-E663 WeakPolarHBondContact O-CB 3.32Å; E659-E663 PolarHBondContact O-N 3.46Å |
| 660 | K | 95.1 | Very high | 93.7 | Very high | 122 Ų | 122 | 101 Ų | 101 | 53% | 0.53 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 174.4 | -75 | 178.5 | 179.7 | 178 | 0 | 112.4 | L656 L657 S664 | L656-K660 WeakPolarHBondContact O-CG 3.37Å; L656-K660 PolarHBondContact O-N 2.91Å; L657-K660 PolarHBondContact O-N 3.31Å; K660-S664 WeakPolarHBondContact O-CB 3.2Å; K660-S664 PolarHBondContact O-N 2.97Å |
| 661 | L | 93.5 | Very high | 93.9 | Very high | 113 Ų | 113 | 98.6 Ų | 98.6 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66 | -45.1 | 176.5 | -179.3 | 65.1 | 0 | 0 | 0 | 111 | L657 Q658 E659 S664 T665 | L657-L661 VanDerWaalsContact O-CB 3.25Å; L657-L661 WeakPolarHBondContact O-CB 3.12Å; L657-L661 PolarHBondContact O-N 2.94Å; Q658-L661 WeakPolarHBondContact O-CB 3.16Å; Q658-L661 PolarHBondContact O-N 3.29Å; E659-L661 VanDerWaalsContact C-N 3.29Å; E659-L661 PolarHBondContact O-N 3.15Å; L661-S664 PolarHBondContact O-N 2.91Å; L661-T665 VanDerWaalsContact O-CB 3.29Å; L661-T665 WeakPolarHBondContact O-CB 3.17Å; L661-T665 PolarHBondContact O-N 2.56Å; L661-T665 PolarHBondContact O-OG1 2.56Å |
| 662 | I | 95.7 | Very high | 94 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 175.6 | -69.9 | 164.4 | 0 | 0 | 0 | 110.2 | Q658 E659 T665 K666 | Q658-I662 VanDerWaalsContact O-CG1 3.26Å; Q658-I662 WeakPolarHBondContact O-CG1 3.37Å; Q658-I662 PolarHBondContact O-N 3.15Å; E659-I662 PolarHBondContact O-N 2.88Å; I662-T665 PolarHBondContact O-N 3.44Å; I662-K666 HydrophobicContact CG2-CD 4.43Å; I662-K666 WeakPolarHBondContact O-CG 3.46Å; I662-K666 PolarHBondContact O-N 3.34Å |
| 663 | E | 95 | Very high | 94 | Very high | 95 Ų | 95 | 94.9 Ų | 94.9 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | -180 | -162.8 | -176.2 | -160 | 0 | 0 | 112 | E659 T665 K666 R667 | E659-E663 WeakPolarHBondContact O-CB 3.32Å; E659-E663 PolarHBondContact O-N 3.46Å; E663-T665 VanDerWaalsContact C-N 3.32Å; E663-T665 PolarHBondContact O-N 3.19Å; E663-K666 PolarHBondContact O-N 3.36Å; E663-R667 WeakPolarHBondContact O-CG 3.32Å; E663-R667 PolarHBondContact O-N 2.66Å; E663-R667 IonicContact OE1-CZ 3.97Å; E663-R667 IonicContact OE1-NH2 3.96Å; E663-R667 PolarHBondContact OE1-NH2 3.04Å; E663-R667 IonicContact OE2-CZ 2.66Å; E663-R667 IonicContact OE2-NH1 2.7Å; E663-R667 PolarHBondContact OE2-NH1 3.46Å; E663-R667 IonicContact OE2-NH2 2.65Å; E663-R667 PolarHBondContact OE2-NH2 3.21Å |
| 664 | S | 95.1 | Very high | 94.1 | Very high | 45 Ų | 45 | 98.4 Ų | 98.4 | 32% | 0.315 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 174.2 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | K660 L661 R667 Y668 | K660-S664 WeakPolarHBondContact O-CB 3.2Å; K660-S664 PolarHBondContact O-N 2.97Å; L661-S664 PolarHBondContact O-N 2.91Å; S664-R667 PolarHBondContact O-N 3.17Å; S664-Y668 WeakPolarHBondContact O-CD2 3.41Å; S664-Y668 PolarHBondContact O-N 3.29Å; S664-Y668 WeakPolarHBondContact OG-CE2 3.32Å |
| 665 | T | 95.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 101.1 Ų | 101.1 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.7 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | L661 I662 E663 R667 Y668 T669 | L661-T665 VanDerWaalsContact O-CB 3.29Å; L661-T665 WeakPolarHBondContact O-CB 3.17Å; L661-T665 PolarHBondContact O-N 2.56Å; L661-T665 PolarHBondContact O-OG1 2.56Å; I662-T665 PolarHBondContact O-N 3.44Å; E663-T665 VanDerWaalsContact C-N 3.32Å; E663-T665 PolarHBondContact O-N 3.19Å; T665-R667 VanDerWaalsContact C-N 3.34Å; T665-R667 PolarHBondContact O-N 2.73Å; T665-Y668 PolarHBondContact O-N 2.86Å; T665-T669 WeakPolarHBondContact O-CG2 3.19Å; T665-T669 PolarHBondContact O-N 2.81Å; T665-T669 PolarHBondContact O-OG1 2.73Å |
| 666 | K | 95.2 | Very high | 94.2 | Very high | 139 Ų | 139 | 103.8 Ų | 103.8 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 174.5 | -73.9 | 176.5 | -179 | 177.5 | 0 | 112.6 | I662 E663 T669 A670 | I662-K666 HydrophobicContact CG2-CD 4.43Å; I662-K666 WeakPolarHBondContact O-CG 3.46Å; I662-K666 PolarHBondContact O-N 3.34Å; E663-K666 PolarHBondContact O-N 3.36Å; K666-T669 WeakPolarHBondContact CA-OG1 3.44Å; K666-T669 PolarHBondContact O-N 3Å; K666-T669 PolarHBondContact O-OG1 3.37Å; K666-A670 WeakPolarHBondContact O-CB 3.38Å; K666-A670 PolarHBondContact O-N 3.11Å |
| 667 | R | 94.3 | Very high | 94.3 | Very high | 147 Ų | 147 | 104.8 Ų | 104.8 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -42.4 | 176 | -68.9 | -175 | -168.5 | 114.8 | 2.4 | 111.6 | E663 S664 T665 A670 L671 | E663-R667 WeakPolarHBondContact O-CG 3.32Å; E663-R667 PolarHBondContact O-N 2.66Å; E663-R667 IonicContact OE1-CZ 3.97Å; E663-R667 IonicContact OE1-NH2 3.96Å; E663-R667 PolarHBondContact OE1-NH2 3.04Å; E663-R667 IonicContact OE2-CZ 2.66Å; E663-R667 IonicContact OE2-NH1 2.7Å; E663-R667 PolarHBondContact OE2-NH1 3.46Å; E663-R667 IonicContact OE2-NH2 2.65Å; E663-R667 PolarHBondContact OE2-NH2 3.21Å; S664-R667 PolarHBondContact O-N 3.17Å; T665-R667 VanDerWaalsContact C-N 3.34Å; T665-R667 PolarHBondContact O-N 2.73Å; R667-A670 PolarHBondContact O-N 2.85Å; R667-L671 WeakPolarHBondContact O-CB 3.36Å; R667-L671 PolarHBondContact O-N 3.46Å |
| 668 | Y | 93.9 | Very high | 94.3 | Very high | 151 Ų | 151 | 101.9 Ų | 101.9 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 175 | -81.9 | -67.9 | 0 | 0 | 0 | 112.1 | S664 T665 A670 L671 E672 | S664-Y668 WeakPolarHBondContact O-CD2 3.41Å; S664-Y668 PolarHBondContact O-N 3.29Å; S664-Y668 WeakPolarHBondContact OG-CE2 3.32Å; T665-Y668 PolarHBondContact O-N 2.86Å; Y668-A670 PolarHBondContact O-N 2.89Å; Y668-L671 PolarHBondContact O-N 2.83Å; Y668-E672 WeakPolarHBondContact O-CG 3.36Å; Y668-E672 PolarHBondContact O-N 2.84Å |
| 669 | T | 95.5 | Very high | 94.3 | Very high | 63 Ų | 63 | 102.8 Ų | 102.8 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.3 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | T665 K666 E672 D673 | T665-T669 WeakPolarHBondContact O-CG2 3.19Å; T665-T669 PolarHBondContact O-N 2.81Å; T665-T669 PolarHBondContact O-OG1 2.73Å; K666-T669 WeakPolarHBondContact CA-OG1 3.44Å; K666-T669 PolarHBondContact O-N 3Å; K666-T669 PolarHBondContact O-OG1 3.37Å; T669-E672 PolarHBondContact O-N 2.87Å; T669-D673 WeakPolarHBondContact O-CB 3.37Å; T669-D673 PolarHBondContact O-N 3.08Å |
| 670 | A | 93.1 | Very high | 94.3 | Very high | 49 Ų | 49 | 103.3 Ų | 103.3 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K666 R667 Y668 D673 E674 | K666-A670 WeakPolarHBondContact O-CB 3.38Å; K666-A670 PolarHBondContact O-N 3.11Å; R667-A670 PolarHBondContact O-N 2.85Å; Y668-A670 PolarHBondContact O-N 2.89Å; A670-D673 PolarHBondContact O-N 3.14Å; A670-E674 WeakPolarHBondContact O-CG 3.36Å; A670-E674 PolarHBondContact O-N 2.99Å |
| 671 | L | 94.2 | Very high | 94.2 | Very high | 77 Ų | 77 | 100.8 Ų | 100.8 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.7 | -175.8 | 64.3 | 0 | 0 | 0 | 111.8 | R667 Y668 D673 E674 F675 | R667-L671 WeakPolarHBondContact O-CB 3.36Å; R667-L671 PolarHBondContact O-N 3.46Å; Y668-L671 PolarHBondContact O-N 2.83Å; L671-D673 VanDerWaalsContact C-N 3.31Å; L671-D673 PolarHBondContact O-N 3.45Å; L671-E674 WeakPolarHBondContact O-CB 3.25Å; L671-E674 PolarHBondContact O-N 2.81Å; L671-F675 HydrophobicContact CD1-CD2 4.1Å; L671-F675 HydrophobicContact CD1-CE2 3.72Å; L671-F675 HydrophobicContact CD2-CE2 4.15Å; L671-F675 HydrophobicContact CG-CD2 3.89Å; L671-F675 HydrophobicContact CG-CE2 3.68Å; L671-F675 WeakPolarHBondContact O-CD2 3.43Å; L671-F675 PolarHBondContact O-N 3.26Å |
| 672 | E | 93.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 173.8 | -76.8 | -178 | -172.9 | 0 | 0 | 112.1 | Y668 T669 F675 R676 | Y668-E672 WeakPolarHBondContact O-CG 3.36Å; Y668-E672 PolarHBondContact O-N 2.84Å; T669-E672 PolarHBondContact O-N 2.87Å; E672-F675 PolarHBondContact O-N 2.91Å; E672-R676 WeakPolarHBondContact O-CB 3.26Å; E672-R676 VanDerWaalsContact O-CG 3.28Å; E672-R676 WeakPolarHBondContact O-CG 3.4Å; E672-R676 PolarHBondContact O-N 3.24Å; E672-R676 IonicContact OE2-NH2 2.87Å |
| 673 | D | 93.3 | Very high | 94 | Very high | 85 Ų | 85 | 98.9 Ų | 98.9 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 177.1 | -73.8 | -22.5 | 0 | 0 | 0 | 111.8 | T669 A670 L671 R676 M677 | T669-D673 WeakPolarHBondContact O-CB 3.37Å; T669-D673 PolarHBondContact O-N 3.08Å; A670-D673 PolarHBondContact O-N 3.14Å; L671-D673 VanDerWaalsContact C-N 3.31Å; L671-D673 PolarHBondContact O-N 3.45Å; D673-R676 PolarHBondContact O-N 3.09Å; D673-R676 IonicContact OD1-NH1 3.2Å; D673-R676 PolarHBondContact OD1-NH1 2.78Å; D673-M677 WeakPolarHBondContact O-CB 3.35Å; D673-M677 PolarHBondContact O-N 3.49Å |
| 674 | E | 93.6 | Very high | 94 | Very high | 132 Ų | 132 | 100.1 Ų | 100.1 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.6 | -46.1 | 170.7 | -73.9 | 179.5 | -178.7 | 0 | 0 | 111.6 | A670 L671 R676 M677 A678 | A670-E674 WeakPolarHBondContact O-CG 3.36Å; A670-E674 PolarHBondContact O-N 2.99Å; L671-E674 WeakPolarHBondContact O-CB 3.25Å; L671-E674 PolarHBondContact O-N 2.81Å; E674-R676 PolarHBondContact O-N 3.16Å; E674-M677 PolarHBondContact O-N 2.88Å; E674-A678 WeakPolarHBondContact O-CB 3.37Å; E674-A678 PolarHBondContact O-N 2.91Å |
| 675 | F | 94.1 | Very high | 94 | Very high | 130 Ų | 130 | 105.4 Ų | 105.4 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 175.7 | -85.6 | -69.2 | 0 | 0 | 0 | 112.2 | L671 E672 M677 A678 L679 | L671-F675 HydrophobicContact CD1-CD2 4.1Å; L671-F675 HydrophobicContact CD1-CE2 3.72Å; L671-F675 HydrophobicContact CD2-CE2 4.15Å; L671-F675 HydrophobicContact CG-CD2 3.89Å; L671-F675 HydrophobicContact CG-CE2 3.68Å; L671-F675 WeakPolarHBondContact O-CD2 3.43Å; L671-F675 PolarHBondContact O-N 3.26Å; E672-F675 PolarHBondContact O-N 2.91Å; F675-M677 VanDerWaalsContact C-N 3.3Å; F675-M677 PolarHBondContact O-N 2.95Å; F675-A678 PolarHBondContact O-N 3.45Å; F675-L679 WeakPolarHBondContact O-CB 3.47Å; F675-L679 VanDerWaalsContact O-CG 3.32Å; F675-L679 WeakPolarHBondContact O-CG 3.5Å; F675-L679 PolarHBondContact O-N 3.49Å |
| 676 | R | 95.1 | Very high | 93.9 | Very high | 134 Ų | 134 | 109.5 Ų | 109.5 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.7 | -75.1 | 172 | -179.2 | 160.5 | 4.9 | 111.9 | E672 D673 E674 R680 | E672-R676 WeakPolarHBondContact O-CB 3.26Å; E672-R676 VanDerWaalsContact O-CG 3.28Å; E672-R676 WeakPolarHBondContact O-CG 3.4Å; E672-R676 PolarHBondContact O-N 3.24Å; E672-R676 IonicContact OE2-NH2 2.87Å; D673-R676 PolarHBondContact O-N 3.09Å; D673-R676 IonicContact OD1-NH1 3.2Å; D673-R676 PolarHBondContact OD1-NH1 2.78Å; E674-R676 PolarHBondContact O-N 3.16Å; R676-R680 PolarHBondContact O-N 2.99Å; R676-R680 VanDerWaalsContact O-N 3.1Å |
| 677 | M | 94.4 | Very high | 94 | Very high | 104 Ų | 104 | 107.7 Ų | 107.7 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 176.5 | -167.7 | 66.8 | 163.5 | 0 | 0 | 111.1 | D673 E674 F675 L679 R680 I681 | D673-M677 WeakPolarHBondContact O-CB 3.35Å; D673-M677 PolarHBondContact O-N 3.49Å; E674-M677 PolarHBondContact O-N 2.88Å; F675-M677 VanDerWaalsContact C-N 3.3Å; F675-M677 PolarHBondContact O-N 2.95Å; M677-L679 VanDerWaalsContact C-N 3.35Å; M677-L679 PolarHBondContact O-N 3.14Å; M677-R680 PolarHBondContact O-N 3.43Å; M677-I681 HydrophobicContact CG-CD1 4.26Å; M677-I681 WeakPolarHBondContact O-CG1 3.16Å; M677-I681 PolarHBondContact O-N 3.5Å |
| 678 | A | 93.5 | Very high | 93.9 | Very high | 53 Ų | 53 | 104.7 Ų | 104.7 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E674 F675 R680 I681 E682 | E674-A678 WeakPolarHBondContact O-CB 3.37Å; E674-A678 PolarHBondContact O-N 2.91Å; F675-A678 PolarHBondContact O-N 3.45Å; A678-R680 VanDerWaalsContact C-N 3.33Å; A678-R680 PolarHBondContact O-N 3.2Å; A678-I681 PolarHBondContact O-N 3.21Å; A678-E682 WeakPolarHBondContact O-CB 3.28Å; A678-E682 PolarHBondContact O-N 3.18Å |
| 679 | L | 93.4 | Very high | 93.9 | Very high | 123 Ų | 123 | 102.8 Ų | 102.8 | 64% | 0.644 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -37.1 | 176 | -74 | 172.6 | 0 | 0 | 0 | 112.7 | F675 M677 A683 | F675-L679 WeakPolarHBondContact O-CB 3.47Å; F675-L679 VanDerWaalsContact O-CG 3.32Å; F675-L679 WeakPolarHBondContact O-CG 3.5Å; F675-L679 PolarHBondContact O-N 3.49Å; M677-L679 VanDerWaalsContact C-N 3.35Å; M677-L679 PolarHBondContact O-N 3.14Å; L679-A683 WeakPolarHBondContact O-CB 3.39Å; L679-A683 PolarHBondContact O-N 3.46Å |
| 680 | R | 94.2 | Very high | 93.9 | Very high | 142 Ų | 142 | 103.8 Ų | 103.8 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 173.9 | -80.1 | -174.7 | -115.3 | 143.1 | -3.1 | 112 | R676 M677 A678 E682 A683 E684 | R676-R680 PolarHBondContact O-N 2.99Å; R676-R680 VanDerWaalsContact O-N 3.1Å; M677-R680 PolarHBondContact O-N 3.43Å; A678-R680 VanDerWaalsContact C-N 3.33Å; A678-R680 PolarHBondContact O-N 3.2Å; R680-E682 VanDerWaalsContact C-N 3.28Å; R680-E682 PolarHBondContact O-N 3.18Å; R680-A683 PolarHBondContact O-N 3.47Å; R680-E684 WeakPolarHBondContact O-CG 3.01Å; R680-E684 PolarHBondContact O-N 2.9Å |
| 681 | I | 93.5 | Very high | 94 | Very high | 70 Ų | 70 | 107 Ų | 107 | 36% | 0.359 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.1 | -67.5 | 167.3 | 0 | 0 | 0 | 110.4 | M677 A678 E684 R685 | M677-I681 HydrophobicContact CG-CD1 4.26Å; M677-I681 WeakPolarHBondContact O-CG1 3.16Å; M677-I681 PolarHBondContact O-N 3.5Å; A678-I681 PolarHBondContact O-N 3.21Å; I681-E684 PolarHBondContact O-N 3.35Å; I681-R685 WeakPolarHBondContact O-CB 3.44Å; I681-R685 VanDerWaalsContact O-CG 3.3Å; I681-R685 WeakPolarHBondContact O-CG 3.41Å; I681-R685 PolarHBondContact O-N 3.42Å |
| 682 | E | 91.3 | Very high | 93.9 | Very high | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 179.4 | -161.8 | 58.9 | -153.7 | 0 | 0 | 112.1 | A678 R680 R685 Y686 | A678-E682 WeakPolarHBondContact O-CB 3.28Å; A678-E682 PolarHBondContact O-N 3.18Å; R680-E682 VanDerWaalsContact C-N 3.28Å; R680-E682 PolarHBondContact O-N 3.18Å; E682-R685 PolarHBondContact O-N 3.43Å; E682-R685 IonicContact OE2-NH1 3.35Å; E682-Y686 WeakPolarHBondContact O-CB 3.33Å; E682-Y686 PolarHBondContact O-N 2.93Å |
| 683 | A | 93.6 | Very high | 93.9 | Very high | 61 Ų | 61 | 105.3 Ų | 105.3 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L679 R680 Y686 E687 | L679-A683 WeakPolarHBondContact O-CB 3.39Å; L679-A683 PolarHBondContact O-N 3.46Å; R680-A683 PolarHBondContact O-N 3.47Å; A683-Y686 PolarHBondContact O-N 2.76Å; A683-E687 WeakPolarHBondContact O-CB 3.31Å; A683-E687 PolarHBondContact O-N 3.01Å |
| 684 | E | 94.4 | Very high | 94 | Very high | 120 Ų | 120 | 105.1 Ų | 105.1 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 176.2 | -73.9 | 173.9 | -170.5 | 0 | 0 | 112.2 | R680 I681 E687 T688 | R680-E684 WeakPolarHBondContact O-CG 3.01Å; R680-E684 PolarHBondContact O-N 2.9Å; I681-E684 PolarHBondContact O-N 3.35Å; E684-E687 PolarHBondContact O-N 2.85Å; E684-T688 WeakPolarHBondContact O-CB 3.26Å; E684-T688 PolarHBondContact O-N 3.04Å; E684-T688 PolarHBondContact O-OG1 3.03Å |
| 685 | R | 94.5 | Very high | 94 | Very high | 157 Ų | 157 | 103.9 Ų | 103.9 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 174.2 | -77.1 | 174 | 177 | -179.4 | -1.7 | 111.7 | I681 E682 T688 L689 | I681-R685 WeakPolarHBondContact O-CB 3.44Å; I681-R685 VanDerWaalsContact O-CG 3.3Å; I681-R685 WeakPolarHBondContact O-CG 3.41Å; I681-R685 PolarHBondContact O-N 3.42Å; E682-R685 PolarHBondContact O-N 3.43Å; E682-R685 IonicContact OE2-NH1 3.35Å; R685-T688 PolarHBondContact O-N 2.89Å; R685-L689 WeakPolarHBondContact O-CB 3.43Å; R685-L689 PolarHBondContact O-N 3.15Å |
| 686 | Y | 94.4 | Very high | 93.8 | Very high | 157 Ų | 157 | 101.4 Ų | 101.4 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 177.4 | -174.2 | -93.5 | 0 | 0 | 0 | 111.7 | E682 A683 T688 L689 L690 | E682-Y686 WeakPolarHBondContact O-CB 3.33Å; E682-Y686 PolarHBondContact O-N 2.93Å; A683-Y686 PolarHBondContact O-N 2.76Å; Y686-T688 VanDerWaalsContact C-N 3.33Å; Y686-T688 PolarHBondContact O-N 2.99Å; Y686-L689 PolarHBondContact O-N 2.71Å; Y686-L690 WeakPolarHBondContact O-CB 3.19Å; Y686-L690 PolarHBondContact O-N 3.3Å |
| 687 | E | 95.5 | Very high | 93.7 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.2 | -169.6 | -174.1 | 158.5 | 0 | 0 | 111.8 | A683 E684 L690 K691 | A683-E687 WeakPolarHBondContact O-CB 3.31Å; A683-E687 PolarHBondContact O-N 3.01Å; E684-E687 PolarHBondContact O-N 2.85Å; E687-L690 PolarHBondContact O-N 2.86Å; E687-K691 WeakPolarHBondContact O-CG 3.49Å; E687-K691 PolarHBondContact O-N 3.49Å; E687-K691 VanDerWaalsContact OE1-CE 3.3Å; E687-K691 WeakPolarHBondContact OE1-CE 3.37Å; E687-K691 IonicContact OE1-NZ 2.6Å; E687-K691 PolarHBondContact OE1-NZ 2.98Å |
| 688 | T | 93.9 | Very high | 93.7 | Very high | 83 Ų | 83 | 100.5 Ų | 100.5 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | E684 R685 Y686 L690 K691 T692 | E684-T688 WeakPolarHBondContact O-CB 3.26Å; E684-T688 PolarHBondContact O-N 3.04Å; E684-T688 PolarHBondContact O-OG1 3.03Å; R685-T688 PolarHBondContact O-N 2.89Å; Y686-T688 VanDerWaalsContact C-N 3.33Å; Y686-T688 PolarHBondContact O-N 2.99Å; T688-L690 VanDerWaalsContact C-N 3.34Å; T688-L690 PolarHBondContact O-N 3.21Å; T688-K691 PolarHBondContact O-N 2.66Å; T688-T692 WeakPolarHBondContact O-CG2 3.23Å; T688-T692 PolarHBondContact O-N 3.35Å; T688-T692 PolarHBondContact O-OG1 3.48Å |
| 689 | L | 93.6 | Very high | 93.6 | Very high | 112 Ų | 112 | 104 Ų | 104 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 177 | -178.7 | 62.8 | 0 | 0 | 0 | 112.2 | R685 Y686 T692 S693 | R685-L689 WeakPolarHBondContact O-CB 3.43Å; R685-L689 PolarHBondContact O-N 3.15Å; Y686-L689 PolarHBondContact O-N 2.71Å; L689-T692 WeakPolarHBondContact CA-OG1 3.26Å; L689-T692 PolarHBondContact O-N 3.4Å; L689-T692 PolarHBondContact O-OG1 3.44Å; L689-S693 VanDerWaalsContact O-CB 3.3Å; L689-S693 WeakPolarHBondContact O-CB 3.28Å; L689-S693 PolarHBondContact O-N 3.05Å |
| 690 | L | 95.5 | Very high | 93.5 | Very high | 84 Ų | 84 | 102.5 Ų | 102.5 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 175.5 | -175.8 | 62.9 | 0 | 0 | 0 | 110.7 | Y686 E687 T688 T692 S693 D694 | Y686-L690 WeakPolarHBondContact O-CB 3.19Å; Y686-L690 PolarHBondContact O-N 3.3Å; E687-L690 PolarHBondContact O-N 2.86Å; T688-L690 VanDerWaalsContact C-N 3.34Å; T688-L690 PolarHBondContact O-N 3.21Å; L690-T692 PolarHBondContact O-N 3.49Å; L690-S693 WeakPolarHBondContact O-CB 3.33Å; L690-S693 PolarHBondContact O-N 2.97Å; L690-D694 PolarHBondContact O-N 3.33Å |
| 691 | K | 95.2 | Very high | 93.4 | Very high | 115 Ų | 115 | 99.4 Ų | 99.4 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.8 | -73.6 | 170.8 | -174.9 | 167.7 | 0 | 112.2 | E687 T688 D694 L695 | E687-K691 WeakPolarHBondContact O-CG 3.49Å; E687-K691 PolarHBondContact O-N 3.49Å; E687-K691 VanDerWaalsContact OE1-CE 3.3Å; E687-K691 WeakPolarHBondContact OE1-CE 3.37Å; E687-K691 IonicContact OE1-NZ 2.6Å; E687-K691 PolarHBondContact OE1-NZ 2.98Å; T688-K691 PolarHBondContact O-N 2.66Å; K691-D694 PolarHBondContact O-N 3.04Å; K691-L695 VanDerWaalsContact O-CG 3.31Å; K691-L695 WeakPolarHBondContact O-CG 3.19Å; K691-L695 PolarHBondContact O-N 3.35Å |
| 692 | T | 92 | Very high | 93.3 | Very high | 70 Ų | 70 | 100.8 Ų | 100.8 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 178.4 | 57 | 0 | 0 | 0 | 0 | 112.3 | T688 L689 L690 L695 C696 | T688-T692 WeakPolarHBondContact O-CG2 3.23Å; T688-T692 PolarHBondContact O-N 3.35Å; T688-T692 PolarHBondContact O-OG1 3.48Å; L689-T692 WeakPolarHBondContact CA-OG1 3.26Å; L689-T692 PolarHBondContact O-N 3.4Å; L689-T692 PolarHBondContact O-OG1 3.44Å; L690-T692 PolarHBondContact O-N 3.49Å; T692-L695 PolarHBondContact O-N 3.34Å; T692-C696 VanDerWaalsContact O-CB 3.3Å; T692-C696 WeakPolarHBondContact O-CB 3.28Å; T692-C696 PolarHBondContact O-N 2.61Å |
| 693 | S | 93.6 | Very high | 93.1 | Very high | 69 Ų | 69 | 99.2 Ų | 99.2 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | L689 L690 C696 K697 | L689-S693 VanDerWaalsContact O-CB 3.3Å; L689-S693 WeakPolarHBondContact O-CB 3.28Å; L689-S693 PolarHBondContact O-N 3.05Å; L690-S693 WeakPolarHBondContact O-CB 3.33Å; L690-S693 PolarHBondContact O-N 2.97Å; S693-C696 PolarHBondContact O-N 3.01Å; S693-K697 WeakPolarHBondContact O-CB 3.25Å; S693-K697 PolarHBondContact O-N 2.95Å |
| 694 | D | 94.1 | Very high | 93.1 | Very high | 80 Ų | 80 | 101.3 Ų | 101.3 | 43% | 0.428 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 177.6 | -73.2 | -27 | 0 | 0 | 0 | 111.9 | L690 K691 K697 N698 | L690-D694 PolarHBondContact O-N 3.33Å; K691-D694 PolarHBondContact O-N 3.04Å; D694-K697 PolarHBondContact O-N 2.96Å; D694-N698 VanDerWaalsContact O-CG 3.28Å; D694-N698 PolarHBondContact O-N 3.48Å; D694-N698 PolarHBondContact O-ND2 3.05Å |
| 695 | L | 93.9 | Very high | 93 | Very high | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -48.6 | 173 | -72.6 | 172 | 0 | 0 | 0 | 111.6 | K691 T692 K697 N698 E699 | K691-L695 VanDerWaalsContact O-CG 3.31Å; K691-L695 WeakPolarHBondContact O-CG 3.19Å; K691-L695 PolarHBondContact O-N 3.35Å; T692-L695 PolarHBondContact O-N 3.34Å; L695-K697 VanDerWaalsContact C-N 3.28Å; L695-K697 PolarHBondContact O-N 3.33Å; L695-N698 PolarHBondContact O-N 2.91Å; L695-N698 VanDerWaalsContact O-N 3.09Å; L695-E699 WeakPolarHBondContact O-CG 3.4Å; L695-E699 PolarHBondContact O-N 3.26Å |
| 696 | C | 89.9 | Confident | 92.9 | Very high | 78 Ų | 78 | 98.5 Ų | 98.5 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 178.5 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | T692 S693 E699 L700 | T692-C696 VanDerWaalsContact O-CB 3.3Å; T692-C696 WeakPolarHBondContact O-CB 3.28Å; T692-C696 PolarHBondContact O-N 2.61Å; S693-C696 PolarHBondContact O-N 3.01Å; C696-E699 PolarHBondContact O-N 3.32Å; C696-L700 WeakPolarHBondContact O-CB 3.43Å; C696-L700 PolarHBondContact O-N 2.88Å |
| 697 | K | 93.4 | Very high | 92.6 | Very high | 129 Ų | 129 | 96.2 Ų | 96.2 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | 174.1 | -171.4 | 177.9 | -179.8 | -178.2 | 0 | 112.3 | S693 D694 L695 L700 N701 | S693-K697 WeakPolarHBondContact O-CB 3.25Å; S693-K697 PolarHBondContact O-N 2.95Å; D694-K697 PolarHBondContact O-N 2.96Å; L695-K697 VanDerWaalsContact C-N 3.28Å; L695-K697 PolarHBondContact O-N 3.33Å; K697-L700 PolarHBondContact O-N 3.18Å; K697-N701 VanDerWaalsContact O-CG 3.3Å; K697-N701 PolarHBondContact O-N 3.43Å; K697-N701 PolarHBondContact O-ND2 3.2Å |
| 698 | N | 93.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 97.3 Ų | 97.3 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 175.8 | -69.9 | -25 | 0 | 0 | 0 | 111.9 | D694 L695 L700 N701 N702 | D694-N698 VanDerWaalsContact O-CG 3.28Å; D694-N698 PolarHBondContact O-N 3.48Å; D694-N698 PolarHBondContact O-ND2 3.05Å; L695-N698 PolarHBondContact O-N 2.91Å; L695-N698 VanDerWaalsContact O-N 3.09Å; N698-L700 VanDerWaalsContact C-N 3.35Å; N698-N701 PolarHBondContact O-N 3.18Å; N698-N702 WeakPolarHBondContact O-CB 3.2Å; N698-N702 PolarHBondContact O-N 3.12Å |
| 699 | E | 92.7 | Very high | 92.5 | Very high | 127 Ų | 127 | 97.7 Ų | 97.7 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 173.2 | -72.5 | 177.8 | 172 | 0 | 0 | 111.7 | L695 C696 N702 T703 | L695-E699 WeakPolarHBondContact O-CG 3.4Å; L695-E699 PolarHBondContact O-N 3.26Å; C696-E699 PolarHBondContact O-N 3.32Å; E699-N702 PolarHBondContact O-N 3.03Å; E699-T703 WeakPolarHBondContact O-CB 3.34Å; E699-T703 WeakPolarHBondContact O-CG2 3.42Å; E699-T703 PolarHBondContact O-N 3.06Å; E699-T703 PolarHBondContact O-OG1 3.44Å |
| 700 | L | 90 | Very high | 92.5 | Very high | 92 Ų | 92 | 96.9 Ų | 96.9 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 173.6 | -179.4 | 63.6 | 0 | 0 | 0 | 111.7 | C696 K697 N698 N702 T703 Q704 | C696-L700 WeakPolarHBondContact O-CB 3.43Å; C696-L700 PolarHBondContact O-N 2.88Å; K697-L700 PolarHBondContact O-N 3.18Å; N698-L700 VanDerWaalsContact C-N 3.35Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.46Å; L700-T703 WeakPolarHBondContact CA-OG1 3.26Å; L700-T703 PolarHBondContact O-N 2.95Å; L700-T703 PolarHBondContact O-OG1 3.47Å; L700-Q704 HydrophobicContact CD1-CG 4.42Å; L700-Q704 WeakPolarHBondContact O-CB 3.13Å; L700-Q704 VanDerWaalsContact O-CG 3.23Å; L700-Q704 WeakPolarHBondContact O-CG 3.32Å; L700-Q704 PolarHBondContact O-N 2.94Å |
| 701 | N | 93.1 | Very high | 92.3 | Very high | 76 Ų | 76 | 96.4 Ų | 96.4 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 177.5 | -71.6 | -19.3 | 0 | 0 | 0 | 112 | K697 N698 Q704 L705 | K697-N701 VanDerWaalsContact O-CG 3.3Å; K697-N701 PolarHBondContact O-N 3.43Å; K697-N701 PolarHBondContact O-ND2 3.2Å; N698-N701 PolarHBondContact O-N 3.18Å; N701-Q704 PolarHBondContact O-N 2.79Å; N701-L705 PolarHBondContact O-N 3.47Å |
| 702 | N | 91.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 95.7 Ų | 95.7 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 177.8 | -74.5 | -11.2 | 0 | 0 | 0 | 111.9 | N698 E699 L700 Q704 L705 Q706 | N698-N702 WeakPolarHBondContact O-CB 3.2Å; N698-N702 PolarHBondContact O-N 3.12Å; E699-N702 PolarHBondContact O-N 3.03Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.46Å; N702-Q704 VanDerWaalsContact C-N 3.34Å; N702-Q704 PolarHBondContact O-N 2.88Å; N702-L705 PolarHBondContact O-N 3.08Å; N702-Q706 WeakPolarHBondContact O-CG 3.37Å; N702-Q706 PolarHBondContact O-N 3.06Å |
| 703 | T | 87.1 | Confident | 92.2 | Very high | 75 Ų | 75 | 99.4 Ų | 99.4 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | 176.9 | 51.1 | 0 | 0 | 0 | 0 | 112 | E699 L700 L707 | E699-T703 WeakPolarHBondContact O-CB 3.34Å; E699-T703 WeakPolarHBondContact O-CG2 3.42Å; E699-T703 PolarHBondContact O-N 3.06Å; E699-T703 PolarHBondContact O-OG1 3.44Å; L700-T703 WeakPolarHBondContact CA-OG1 3.26Å; L700-T703 PolarHBondContact O-N 2.95Å; L700-T703 PolarHBondContact O-OG1 3.47Å; T703-L707 WeakPolarHBondContact O-CB 3.24Å; T703-L707 PolarHBondContact O-N 3.31Å |
| 704 | Q | 92.7 | Very high | 92 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 171.9 | -76.2 | 176.3 | -0.4 | 0 | 0 | 112.7 | L700 N701 N702 L707 K708 | L700-Q704 HydrophobicContact CD1-CG 4.42Å; L700-Q704 WeakPolarHBondContact O-CB 3.13Å; L700-Q704 VanDerWaalsContact O-CG 3.23Å; L700-Q704 WeakPolarHBondContact O-CG 3.32Å; L700-Q704 PolarHBondContact O-N 2.94Å; N701-Q704 PolarHBondContact O-N 2.79Å; N702-Q704 VanDerWaalsContact C-N 3.34Å; N702-Q704 PolarHBondContact O-N 2.88Å; Q704-L707 PolarHBondContact O-N 3.37Å; Q704-K708 PolarHBondContact O-N 2.93Å; Q704-K708 VanDerWaalsContact O-N 3.11Å |
| 705 | L | 93.4 | Very high | 92 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 176.1 | -174.4 | 64.7 | 0 | 0 | 0 | 111.3 | N701 N702 L707 K708 E709 | N701-L705 PolarHBondContact O-N 3.47Å; N702-L705 PolarHBondContact O-N 3.08Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3Å; L705-K708 WeakPolarHBondContact O-CB 3.36Å; L705-K708 PolarHBondContact O-N 3.05Å; L705-K708 VanDerWaalsContact O-N 3.14Å; L705-E709 PolarHBondContact O-N 3.44Å |
| 706 | Q | 92 | Very high | 92 | Very high | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 175.5 | -73.7 | 177.6 | -12.3 | 0 | 0 | 112.1 | N702 K708 E709 M710 | N702-Q706 WeakPolarHBondContact O-CG 3.37Å; N702-Q706 PolarHBondContact O-N 3.06Å; Q706-K708 VanDerWaalsContact C-N 3.32Å; Q706-K708 PolarHBondContact O-N 3.47Å; Q706-E709 PolarHBondContact O-N 3.12Å; Q706-M710 WeakPolarHBondContact O-CB 3.45Å; Q706-M710 VanDerWaalsContact O-CG 3.29Å; Q706-M710 WeakPolarHBondContact O-CG 3.37Å; Q706-M710 PolarHBondContact O-N 2.9Å |
| 707 | L | 88.6 | Confident | 92 | Very high | 108 Ų | 108 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 175.6 | 178.8 | 62.4 | 0 | 0 | 0 | 111.3 | T703 Q704 L705 M710 I711 | T703-L707 WeakPolarHBondContact O-CB 3.24Å; T703-L707 PolarHBondContact O-N 3.31Å; Q704-L707 PolarHBondContact O-N 3.37Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3Å; L707-M710 PolarHBondContact O-N 2.92Å; L707-I711 HydrophobicContact CD1-CD1 4.3Å; L707-I711 HydrophobicContact CG-CD1 4.09Å; L707-I711 VanDerWaalsContact O-CG1 3.3Å; L707-I711 WeakPolarHBondContact O-CG1 3.46Å; L707-I711 PolarHBondContact O-N 3.45Å |
| 708 | K | 93.6 | Very high | 91.9 | Very high | 125 Ų | 125 | 101 Ų | 101 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.3 | -169.8 | -176.4 | 174.7 | -168.7 | 0 | 111.9 | Q704 L705 Q706 M710 I711 E712 | Q704-K708 PolarHBondContact O-N 2.93Å; Q704-K708 VanDerWaalsContact O-N 3.11Å; L705-K708 WeakPolarHBondContact O-CB 3.36Å; L705-K708 PolarHBondContact O-N 3.05Å; L705-K708 VanDerWaalsContact O-N 3.14Å; Q706-K708 VanDerWaalsContact C-N 3.32Å; Q706-K708 PolarHBondContact O-N 3.47Å; K708-M710 VanDerWaalsContact C-N 3.3Å; K708-M710 PolarHBondContact O-N 3.05Å; K708-I711 PolarHBondContact O-N 2.92Å; K708-E712 WeakPolarHBondContact CE-OE1 3.41Å; K708-E712 PolarHBondContact O-N 3.33Å |
| 709 | E | 93.7 | Very high | 91.9 | Very high | 91 Ų | 91 | 99.8 Ų | 99.8 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 176 | -69.8 | 177 | 177.6 | 0 | 0 | 112.7 | L705 Q706 R713 | L705-E709 PolarHBondContact O-N 3.44Å; Q706-E709 PolarHBondContact O-N 3.12Å; E709-R713 WeakPolarHBondContact O-CB 3.46Å; E709-R713 WeakPolarHBondContact O-CG 3.38Å; E709-R713 PolarHBondContact O-N 3.36Å; E709-R713 PolarHBondContact O-NE 3.43Å |
| 710 | M | 91.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 98.3 Ų | 98.3 | 47% | 0.473 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 174.9 | -77.3 | -59.3 | -49.1 | 0 | 0 | 111.8 | Q706 L707 K708 R713 E714 | Q706-M710 WeakPolarHBondContact O-CB 3.45Å; Q706-M710 VanDerWaalsContact O-CG 3.29Å; Q706-M710 WeakPolarHBondContact O-CG 3.37Å; Q706-M710 PolarHBondContact O-N 2.9Å; L707-M710 PolarHBondContact O-N 2.92Å; K708-M710 VanDerWaalsContact C-N 3.3Å; K708-M710 PolarHBondContact O-N 3.05Å; M710-R713 PolarHBondContact O-N 3.41Å; M710-R713 PolarHBondContact SD-NH1 3.46Å; M710-R713 PolarHBondContact SD-NH2 2.9Å; M710-E714 WeakPolarHBondContact O-CB 3.5Å; M710-E714 PolarHBondContact O-N 2.94Å |
| 711 | I | 92.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 98.6 Ų | 98.6 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 175.8 | -69 | 164.7 | 0 | 0 | 0 | 110.7 | L707 K708 R713 E714 E715 | L707-I711 HydrophobicContact CD1-CD1 4.3Å; L707-I711 HydrophobicContact CG-CD1 4.09Å; L707-I711 VanDerWaalsContact O-CG1 3.3Å; L707-I711 WeakPolarHBondContact O-CG1 3.46Å; L707-I711 PolarHBondContact O-N 3.45Å; K708-I711 PolarHBondContact O-N 2.92Å; I711-R713 VanDerWaalsContact C-N 3.32Å; I711-R713 PolarHBondContact O-N 3.23Å; I711-E714 WeakPolarHBondContact O-CB 3.37Å; I711-E714 PolarHBondContact O-N 3.5Å; I711-E714 VanDerWaalsContact O-N 3.15Å; I711-E715 WeakPolarHBondContact O-CG 3.38Å; I711-E715 PolarHBondContact O-N 3.21Å |
| 712 | E | 93.6 | Very high | 91.7 | Very high | 99 Ų | 99 | 101.6 Ų | 101.6 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 178.2 | -70.4 | 174.8 | -172.5 | 0 | 0 | 112 | K708 S716 | K708-E712 WeakPolarHBondContact CE-OE1 3.41Å; K708-E712 PolarHBondContact O-N 3.33Å; E712-S716 WeakPolarHBondContact O-CB 3.45Å; E712-S716 PolarHBondContact O-N 3.27Å; E712-S716 VanDerWaalsContact O-N 3.09Å; E712-S716 PolarHBondContact O-OG 2.87Å |
| 713 | R | 91.4 | Very high | 91.7 | Very high | 148 Ų | 148 | 102.1 Ų | 102.1 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 172.7 | -81.9 | -173 | -82.5 | 160.8 | -12.7 | 112.4 | E709 M710 I711 S716 A717 | E709-R713 WeakPolarHBondContact O-CB 3.46Å; E709-R713 WeakPolarHBondContact O-CG 3.38Å; E709-R713 PolarHBondContact O-N 3.36Å; E709-R713 PolarHBondContact O-NE 3.43Å; M710-R713 PolarHBondContact O-N 3.41Å; M710-R713 PolarHBondContact SD-NH1 3.46Å; M710-R713 PolarHBondContact SD-NH2 2.9Å; I711-R713 VanDerWaalsContact C-N 3.32Å; I711-R713 PolarHBondContact O-N 3.23Å; R713-S716 PolarHBondContact O-N 3.41Å; R713-A717 WeakPolarHBondContact O-CB 3.28Å; R713-A717 PolarHBondContact O-N 3.37Å |
| 714 | E | 90.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 103.3 Ų | 103.3 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 177.5 | -169 | -170.6 | 169.7 | 0 | 0 | 111.8 | M710 I711 S716 A717 R718 | M710-E714 WeakPolarHBondContact O-CB 3.5Å; M710-E714 PolarHBondContact O-N 2.94Å; I711-E714 WeakPolarHBondContact O-CB 3.37Å; I711-E714 PolarHBondContact O-N 3.5Å; I711-E714 VanDerWaalsContact O-N 3.15Å; E714-S716 VanDerWaalsContact C-N 3.34Å; E714-S716 PolarHBondContact O-N 3.33Å; E714-A717 PolarHBondContact O-N 3.33Å; E714-R718 WeakPolarHBondContact O-CB 3.3Å; E714-R718 WeakPolarHBondContact O-CG 3.3Å; E714-R718 PolarHBondContact O-N 3.11Å; E714-R718 IonicContact OE1-CZ 3.87Å; E714-R718 IonicContact OE1-NE 2.8Å; E714-R718 PolarHBondContact OE1-NE 3.13Å; E714-R718 IonicContact OE1-NH2 3.24Å; E714-R718 PolarHBondContact OE1-NH2 3.45Å |
| 715 | E | 93.4 | Very high | 91.8 | Very high | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 176.2 | -74.5 | -179.2 | 169.4 | 0 | 0 | 111.9 | I711 R718 C719 | I711-E715 WeakPolarHBondContact O-CG 3.38Å; I711-E715 PolarHBondContact O-N 3.21Å; E715-R718 PolarHBondContact O-N 3.05Å; E715-C719 PolarHBondContact O-N 2.89Å |
| 716 | S | 92.8 | Very high | 91.7 | Very high | 81 Ų | 81 | 101 Ų | 101 | 57% | 0.566 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 112 | E712 R713 E714 C719 L720 | E712-S716 WeakPolarHBondContact O-CB 3.45Å; E712-S716 PolarHBondContact O-N 3.27Å; E712-S716 VanDerWaalsContact O-N 3.09Å; E712-S716 PolarHBondContact O-OG 2.87Å; R713-S716 PolarHBondContact O-N 3.41Å; E714-S716 VanDerWaalsContact C-N 3.34Å; E714-S716 PolarHBondContact O-N 3.33Å; S716-C719 PolarHBondContact O-N 3.34Å; S716-L720 PolarHBondContact O-N 2.84Å |
| 717 | A | 90.6 | Very high | 91.7 | Very high | 47 Ų | 47 | 98.2 Ų | 98.2 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R713 E714 C719 L720 I721 | R713-A717 WeakPolarHBondContact O-CB 3.28Å; R713-A717 PolarHBondContact O-N 3.37Å; E714-A717 PolarHBondContact O-N 3.33Å; A717-C719 VanDerWaalsContact C-N 3.34Å; A717-C719 PolarHBondContact O-N 3.41Å; A717-L720 PolarHBondContact O-N 3.35Å; A717-I721 VanDerWaalsContact O-CG1 3.26Å; A717-I721 WeakPolarHBondContact O-CG1 3.38Å; A717-I721 PolarHBondContact O-N 3.47Å |
| 718 | R | 92 | Very high | 91.7 | Very high | 150 Ų | 150 | 96.2 Ų | 96.2 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 174.8 | -74.9 | 172 | -176.5 | -116.9 | 8.7 | 111.6 | E714 E715 I721 Q722 | E714-R718 WeakPolarHBondContact O-CB 3.3Å; E714-R718 WeakPolarHBondContact O-CG 3.3Å; E714-R718 PolarHBondContact O-N 3.11Å; E714-R718 IonicContact OE1-CZ 3.87Å; E714-R718 IonicContact OE1-NE 2.8Å; E714-R718 PolarHBondContact OE1-NE 3.13Å; E714-R718 IonicContact OE1-NH2 3.24Å; E714-R718 PolarHBondContact OE1-NH2 3.45Å; E715-R718 PolarHBondContact O-N 3.05Å; R718-I721 PolarHBondContact O-N 3.18Å; R718-Q722 WeakPolarHBondContact O-CG 3.47Å; R718-Q722 PolarHBondContact O-N 3.14Å |
| 719 | C | 92 | Very high | 91.5 | Very high | 64 Ų | 64 | 97.8 Ų | 97.8 | 43% | 0.432 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 175.3 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | E715 S716 A717 I721 Q722 E723 | E715-C719 PolarHBondContact O-N 2.89Å; S716-C719 PolarHBondContact O-N 3.34Å; A717-C719 VanDerWaalsContact C-N 3.34Å; A717-C719 PolarHBondContact O-N 3.41Å; C719-I721 VanDerWaalsContact C-N 3.32Å; C719-I721 PolarHBondContact O-N 3.47Å; C719-Q722 WeakPolarHBondContact O-CB 3.47Å; C719-Q722 PolarHBondContact O-N 2.82Å; C719-E723 PolarHBondContact O-N 2.92Å |
| 720 | L | 91.8 | Very high | 91.4 | Very high | 97 Ų | 97 | 98.2 Ų | 98.2 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 177.4 | -176.7 | 65.4 | 0 | 0 | 0 | 112.3 | S716 A717 Q722 E723 L724 | S716-L720 PolarHBondContact O-N 2.84Å; A717-L720 PolarHBondContact O-N 3.35Å; L720-Q722 VanDerWaalsContact C-N 3.33Å; L720-Q722 PolarHBondContact O-N 3.15Å; L720-E723 PolarHBondContact O-N 3.48Å; L720-L724 HydrophobicContact CG-CD1 4.25Å; L720-L724 WeakPolarHBondContact O-CB 3.41Å; L720-L724 WeakPolarHBondContact O-CG 3.33Å; L720-L724 PolarHBondContact O-N 3.26Å |
| 721 | I | 90 | Very high | 91.3 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 175.5 | -69.9 | 166.6 | 0 | 0 | 0 | 111 | A717 R718 C719 N725 | A717-I721 VanDerWaalsContact O-CG1 3.26Å; A717-I721 WeakPolarHBondContact O-CG1 3.38Å; A717-I721 PolarHBondContact O-N 3.47Å; R718-I721 PolarHBondContact O-N 3.18Å; C719-I721 VanDerWaalsContact C-N 3.32Å; C719-I721 PolarHBondContact O-N 3.47Å; I721-N725 WeakPolarHBondContact CG2-ND2 3.48Å; I721-N725 VanDerWaalsContact O-CB 3.3Å; I721-N725 WeakPolarHBondContact O-CB 3.4Å; I721-N725 VanDerWaalsContact O-CG 3.25Å; I721-N725 PolarHBondContact O-N 3.47Å; I721-N725 PolarHBondContact O-ND2 2.83Å |
| 722 | Q | 90.8 | Very high | 91.2 | Very high | 139 Ų | 139 | 102.7 Ų | 102.7 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | 174.8 | -74.3 | -178.7 | 0.3 | 0 | 0 | 112.1 | R718 C719 L720 N725 S726 | R718-Q722 WeakPolarHBondContact O-CG 3.47Å; R718-Q722 PolarHBondContact O-N 3.14Å; C719-Q722 WeakPolarHBondContact O-CB 3.47Å; C719-Q722 PolarHBondContact O-N 2.82Å; L720-Q722 VanDerWaalsContact C-N 3.33Å; L720-Q722 PolarHBondContact O-N 3.15Å; Q722-N725 PolarHBondContact O-N 3.03Å; Q722-S726 PolarHBondContact O-N 3.46Å |
| 723 | E | 92.6 | Very high | 91 | Very high | 112 Ų | 112 | 101.9 Ų | 101.9 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 174.6 | -70.1 | -177.7 | 174.7 | 0 | 0 | 111.4 | C719 L720 N725 S726 V727 | C719-E723 PolarHBondContact O-N 2.92Å; L720-E723 PolarHBondContact O-N 3.48Å; E723-N725 VanDerWaalsContact C-N 3.31Å; E723-N725 PolarHBondContact O-N 2.85Å; E723-S726 WeakPolarHBondContact O-CA 3.35Å; E723-S726 WeakPolarHBondContact O-CB 3.44Å; E723-S726 PolarHBondContact O-N 3.21Å; E723-S726 PolarHBondContact O-OG 3.02Å; E723-V727 WeakPolarHBondContact O-CG2 3.28Å; E723-V727 PolarHBondContact O-N 3.39Å |
| 724 | L | 90.6 | Very high | 91 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 176.3 | -73.7 | 171.4 | 0 | 0 | 0 | 111.9 | L720 S726 V727 V728 | L720-L724 HydrophobicContact CG-CD1 4.25Å; L720-L724 WeakPolarHBondContact O-CB 3.41Å; L720-L724 WeakPolarHBondContact O-CG 3.33Å; L720-L724 PolarHBondContact O-N 3.26Å; L724-S726 VanDerWaalsContact C-N 3.29Å; L724-S726 PolarHBondContact O-N 2.9Å; L724-V727 PolarHBondContact O-N 3.21Å; L724-V728 WeakPolarHBondContact O-CB 3.37Å; L724-V728 VanDerWaalsContact O-CG2 3.26Å; L724-V728 WeakPolarHBondContact O-CG2 3.23Å; L724-V728 PolarHBondContact O-N 3.47Å |
| 725 | N | 90.1 | Very high | 91.1 | Very high | 87 Ų | 87 | 103.3 Ų | 103.3 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 175 | -81.7 | -46.1 | 0 | 0 | 0 | 112.5 | I721 Q722 E723 K729 | I721-N725 WeakPolarHBondContact CG2-ND2 3.48Å; I721-N725 VanDerWaalsContact O-CB 3.3Å; I721-N725 WeakPolarHBondContact O-CB 3.4Å; I721-N725 VanDerWaalsContact O-CG 3.25Å; I721-N725 PolarHBondContact O-N 3.47Å; I721-N725 PolarHBondContact O-ND2 2.83Å; Q722-N725 PolarHBondContact O-N 3.03Å; E723-N725 VanDerWaalsContact C-N 3.31Å; E723-N725 PolarHBondContact O-N 2.85Å; N725-K729 WeakPolarHBondContact O-CG 3.46Å; N725-K729 PolarHBondContact O-N 3.32Å; N725-K729 VanDerWaalsContact O-N 3.09Å |
| 726 | S | 91.8 | Very high | 90.9 | Very high | 68 Ų | 68 | 100.3 Ų | 100.3 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 175.2 | 81.3 | 0 | 0 | 0 | 0 | 111.7 | Q722 E723 L724 K729 E730 | Q722-S726 PolarHBondContact O-N 3.46Å; E723-S726 WeakPolarHBondContact O-CA 3.35Å; E723-S726 WeakPolarHBondContact O-CB 3.44Å; E723-S726 PolarHBondContact O-N 3.21Å; E723-S726 PolarHBondContact O-OG 3.02Å; L724-S726 VanDerWaalsContact C-N 3.29Å; L724-S726 PolarHBondContact O-N 2.9Å; S726-K729 WeakPolarHBondContact O-CB 3.49Å; S726-K729 PolarHBondContact O-N 3.47Å; S726-E730 PolarHBondContact O-N 3.09Å |
| 727 | V | 92 | Very high | 90.7 | Very high | 63 Ų | 63 | 99.9 Ų | 99.9 | 38% | 0.382 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 177.6 | 174 | 0 | 0 | 0 | 0 | 111 | E723 L724 K729 E730 Q731 | E723-V727 WeakPolarHBondContact O-CG2 3.28Å; E723-V727 PolarHBondContact O-N 3.39Å; L724-V727 PolarHBondContact O-N 3.21Å; V727-K729 VanDerWaalsContact C-N 3.33Å; V727-K729 PolarHBondContact O-N 2.93Å; V727-E730 PolarHBondContact O-N 3.45Å; V727-Q731 HydrophobicContact CG1-CG 4.41Å; V727-Q731 WeakPolarHBondContact O-CG 3.46Å; V727-Q731 PolarHBondContact O-N 2.99Å |
| 728 | V | 88.3 | Confident | 90.8 | Very high | 65 Ų | 65 | 104.3 Ų | 104.3 | 39% | 0.394 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L724 Q731 K732 | L724-V728 WeakPolarHBondContact O-CB 3.37Å; L724-V728 VanDerWaalsContact O-CG2 3.26Å; L724-V728 WeakPolarHBondContact O-CG2 3.23Å; L724-V728 PolarHBondContact O-N 3.47Å; V728-Q731 PolarHBondContact O-N 2.91Å; V728-K732 HydrophobicContact CG1-CD 4.27Å; V728-K732 WeakPolarHBondContact O-CB 3.47Å; V728-K732 WeakPolarHBondContact O-CG 3.41Å; V728-K732 PolarHBondContact O-N 2.93Å |
| 729 | K | 90.2 | Very high | 90.7 | Very high | 159 Ų | 159 | 101.9 Ų | 101.9 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 174.4 | -76.6 | 174.7 | -177.8 | 177.1 | 0 | 111.5 | N725 S726 V727 K732 S733 | N725-K729 WeakPolarHBondContact O-CG 3.46Å; N725-K729 PolarHBondContact O-N 3.32Å; N725-K729 VanDerWaalsContact O-N 3.09Å; S726-K729 WeakPolarHBondContact O-CB 3.49Å; S726-K729 PolarHBondContact O-N 3.47Å; V727-K729 VanDerWaalsContact C-N 3.33Å; V727-K729 PolarHBondContact O-N 2.93Å; K729-K732 PolarHBondContact O-N 3.47Å; K729-S733 PolarHBondContact O-N 3.33Å |
| 730 | E | 91.1 | Very high | 90.7 | Very high | 99 Ų | 99 | 105.9 Ų | 105.9 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 176.8 | -167.7 | -169.1 | 156.9 | 0 | 0 | 111.6 | S726 V727 K732 S733 K734 | S726-E730 PolarHBondContact O-N 3.09Å; V727-E730 PolarHBondContact O-N 3.45Å; E730-K732 PolarHBondContact O-N 2.9Å; E730-S733 WeakPolarHBondContact O-CB 3.49Å; E730-S733 PolarHBondContact O-N 3.28Å; E730-K734 PolarHBondContact O-N 3.47Å; E730-K734 WeakPolarHBondContact OE1-CE 3.41Å; E730-K734 IonicContact OE1-NZ 3.96Å; E730-K734 PolarHBondContact OE1-NZ 3.28Å |
| 731 | Q | 89.3 | Confident | 90.6 | Very high | 123 Ų | 123 | 104.1 Ų | 104.1 | 58% | 0.575 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 178 | -74 | -169.9 | -7.2 | 0 | 0 | 112.6 | V727 V728 S733 K734 Y735 | V727-Q731 HydrophobicContact CG1-CG 4.41Å; V727-Q731 WeakPolarHBondContact O-CG 3.46Å; V727-Q731 PolarHBondContact O-N 2.99Å; V728-Q731 PolarHBondContact O-N 2.91Å; Q731-S733 VanDerWaalsContact C-N 3.3Å; Q731-S733 PolarHBondContact O-N 3.02Å; Q731-K734 PolarHBondContact O-N 3.37Å; Q731-Y735 WeakPolarHBondContact O-CB 3.39Å; Q731-Y735 PolarHBondContact O-N 3.44Å |
| 732 | K | 89.9 | Confident | 90.7 | Very high | 141 Ų | 141 | 105.3 Ų | 105.3 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60 | -40.3 | 173.1 | -77.7 | 178.7 | 179.1 | 179.7 | 0 | 111.8 | V728 K729 E730 T736 | V728-K732 HydrophobicContact CG1-CD 4.27Å; V728-K732 WeakPolarHBondContact O-CB 3.47Å; V728-K732 WeakPolarHBondContact O-CG 3.41Å; V728-K732 PolarHBondContact O-N 2.93Å; K729-K732 PolarHBondContact O-N 3.47Å; E730-K732 PolarHBondContact O-N 2.9Å; K732-T736 WeakPolarHBondContact O-CB 3.5Å; K732-T736 PolarHBondContact O-N 3.18Å; K732-T736 PolarHBondContact O-OG1 3.35Å |
| 733 | S | 90 | Very high | 90.7 | Very high | 82 Ų | 82 | 103.3 Ų | 103.3 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -47 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | K729 E730 Q731 T736 S737 | K729-S733 PolarHBondContact O-N 3.33Å; E730-S733 WeakPolarHBondContact O-CB 3.49Å; E730-S733 PolarHBondContact O-N 3.28Å; Q731-S733 VanDerWaalsContact C-N 3.3Å; Q731-S733 PolarHBondContact O-N 3.02Å; S733-T736 PolarHBondContact O-N 3.31Å; S733-S737 PolarHBondContact O-N 2.84Å |
| 734 | K | 91.9 | Very high | 90.6 | Very high | 120 Ų | 120 | 103.1 Ų | 103.1 | 52% | 0.522 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 175.6 | -74.1 | -179.8 | -177.3 | 168 | 0 | 111.9 | E730 Q731 T736 S737 Q738 | E730-K734 PolarHBondContact O-N 3.47Å; E730-K734 WeakPolarHBondContact OE1-CE 3.41Å; E730-K734 IonicContact OE1-NZ 3.96Å; E730-K734 PolarHBondContact OE1-NZ 3.28Å; Q731-K734 PolarHBondContact O-N 3.37Å; K734-T736 VanDerWaalsContact C-N 3.31Å; K734-T736 PolarHBondContact O-N 3.4Å; K734-S737 PolarHBondContact O-N 2.87Å; K734-S737 VanDerWaalsContact O-N 3.15Å; K734-S737 PolarHBondContact O-OG 3.21Å; K734-Q738 WeakPolarHBondContact O-CB 3.13Å; K734-Q738 PolarHBondContact O-N 3.01Å |
| 735 | Y | 91.1 | Very high | 90.8 | Very high | 151 Ų | 151 | 103 Ų | 103 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.5 | -44.5 | 176.9 | -179.4 | -94.4 | 0 | 0 | 0 | 111.9 | Q731 S737 Q738 Q739 | Q731-Y735 WeakPolarHBondContact O-CB 3.39Å; Q731-Y735 PolarHBondContact O-N 3.44Å; Y735-S737 PolarHBondContact O-N 2.85Å; Y735-Q738 PolarHBondContact O-N 2.98Å; Y735-Q739 WeakPolarHBondContact O-CB 3.39Å; Y735-Q739 PolarHBondContact O-N 3.13Å |
| 736 | T | 90.1 | Very high | 90.8 | Very high | 63 Ų | 63 | 102.8 Ų | 102.8 | 39% | 0.387 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | K732 S733 K734 K740 | K732-T736 WeakPolarHBondContact O-CB 3.5Å; K732-T736 PolarHBondContact O-N 3.18Å; K732-T736 PolarHBondContact O-OG1 3.35Å; S733-T736 PolarHBondContact O-N 3.31Å; K734-T736 VanDerWaalsContact C-N 3.31Å; K734-T736 PolarHBondContact O-N 3.4Å; T736-K740 WeakPolarHBondContact O-CG 3.43Å; T736-K740 PolarHBondContact O-N 3.3Å; T736-K740 VanDerWaalsContact O-N 3.07Å |
| 737 | S | 88.9 | Confident | 90.9 | Very high | 72 Ų | 72 | 104.3 Ų | 104.3 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 175.9 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | S733 K734 Y735 K740 A741 | S733-S737 PolarHBondContact O-N 2.84Å; K734-S737 PolarHBondContact O-N 2.87Å; K734-S737 VanDerWaalsContact O-N 3.15Å; K734-S737 PolarHBondContact O-OG 3.21Å; Y735-S737 PolarHBondContact O-N 2.85Å; S737-K740 PolarHBondContact O-N 3.14Å; S737-A741 PolarHBondContact O-N 3.36Å |
| 738 | Q | 91.8 | Very high | 90.9 | Very high | 140 Ų | 140 | 105.1 Ų | 105.1 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 176.9 | -171.4 | 176.5 | -1.3 | 0 | 0 | 111.8 | K734 Y735 A741 H742 | K734-Q738 WeakPolarHBondContact O-CB 3.13Å; K734-Q738 PolarHBondContact O-N 3.01Å; Y735-Q738 PolarHBondContact O-N 2.98Å; Q738-A741 PolarHBondContact O-N 2.97Å; Q738-H742 WeakPolarHBondContact O-CB 3.5Å; Q738-H742 PolarHBondContact O-N 2.79Å |
| 739 | Q | 90.6 | Very high | 91 | Very high | 98 Ų | 98 | 106.7 Ų | 106.7 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.2 | -170.4 | 178.5 | 18.3 | 0 | 0 | 111.6 | Y735 H742 L743 | Y735-Q739 WeakPolarHBondContact O-CB 3.39Å; Y735-Q739 PolarHBondContact O-N 3.13Å; Q739-H742 PolarHBondContact O-N 2.85Å; Q739-L743 HydrophobicContact CG-CD1 4.43Å; Q739-L743 WeakPolarHBondContact O-CB 3.4Å; Q739-L743 WeakPolarHBondContact O-CG 3.42Å; Q739-L743 PolarHBondContact O-N 2.87Å |
| 740 | K | 92 | Very high | 91.1 | Very high | 148 Ų | 148 | 105 Ų | 105 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 173.4 | -73.8 | 176.6 | -179.1 | 179.8 | 0 | 112 | T736 S737 H742 L743 L744 | T736-K740 WeakPolarHBondContact O-CG 3.43Å; T736-K740 PolarHBondContact O-N 3.3Å; T736-K740 VanDerWaalsContact O-N 3.07Å; S737-K740 PolarHBondContact O-N 3.14Å; K740-H742 VanDerWaalsContact C-N 3.35Å; K740-L743 PolarHBondContact O-N 3.32Å; K740-L744 PolarHBondContact O-N 3.4Å |
| 741 | A | 90.4 | Very high | 91.2 | Very high | 61 Ų | 61 | 105.1 Ų | 105.1 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S737 Q738 L744 L745 | S737-A741 PolarHBondContact O-N 3.36Å; Q738-A741 PolarHBondContact O-N 2.97Å; A741-L744 PolarHBondContact O-N 2.81Å; A741-L745 WeakPolarHBondContact O-CB 3.37Å; A741-L745 PolarHBondContact O-N 3.44Å |
| 742 | H | 91.4 | Very high | 91.4 | Very high | 121 Ų | 121 | 106.9 Ų | 106.9 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 176.7 | -173.8 | -82.1 | 0 | 0 | 0 | 112.3 | Q738 Q739 K740 L744 L745 Q746 | Q738-H742 WeakPolarHBondContact O-CB 3.5Å; Q738-H742 PolarHBondContact O-N 2.79Å; Q739-H742 PolarHBondContact O-N 2.85Å; K740-H742 VanDerWaalsContact C-N 3.35Å; H742-L744 VanDerWaalsContact C-N 3.34Å; H742-L744 PolarHBondContact O-N 2.84Å; H742-L745 PolarHBondContact O-N 3.28Å; H742-Q746 WeakPolarHBondContact O-CB 3.49Å; H742-Q746 PolarHBondContact O-N 3.41Å |
| 743 | L | 90.5 | Very high | 91.6 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175 | -77.7 | 166.5 | 0 | 0 | 0 | 111.9 | Q739 K740 Q746 H747 | Q739-L743 HydrophobicContact CG-CD1 4.43Å; Q739-L743 WeakPolarHBondContact O-CB 3.4Å; Q739-L743 WeakPolarHBondContact O-CG 3.42Å; Q739-L743 PolarHBondContact O-N 2.87Å; K740-L743 PolarHBondContact O-N 3.32Å; L743-Q746 PolarHBondContact O-N 3.5Å; L743-H747 WeakPolarHBondContact O-CB 3.26Å; L743-H747 PolarHBondContact O-N 2.9Å |
| 744 | L | 91.8 | Very high | 91.7 | Very high | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 175.5 | -173.9 | 69.5 | 0 | 0 | 0 | 111.6 | K740 A741 H742 H747 N748 | K740-L744 PolarHBondContact O-N 3.4Å; A741-L744 PolarHBondContact O-N 2.81Å; H742-L744 VanDerWaalsContact C-N 3.34Å; H742-L744 PolarHBondContact O-N 2.84Å; L744-H747 WeakPolarHBondContact O-CB 3.41Å; L744-H747 PolarHBondContact O-N 3.2Å; L744-N748 VanDerWaalsContact O-CG 3.28Å; L744-N748 PolarHBondContact O-N 2.99Å; L744-N748 PolarHBondContact O-ND2 2.94Å |
| 745 | L | 93.2 | Very high | 91.7 | Very high | 97 Ų | 97 | 100.7 Ų | 100.7 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.7 | -177.1 | 66.2 | 0 | 0 | 0 | 111.5 | A741 H742 H747 N748 L749 | A741-L745 WeakPolarHBondContact O-CB 3.37Å; A741-L745 PolarHBondContact O-N 3.44Å; H742-L745 PolarHBondContact O-N 3.28Å; L745-H747 VanDerWaalsContact C-N 3.31Å; L745-H747 PolarHBondContact O-N 2.84Å; L745-N748 PolarHBondContact O-N 3.45Å; L745-L749 HydrophobicContact CG-CD1 4.17Å; L745-L749 WeakPolarHBondContact O-CB 3.49Å; L745-L749 WeakPolarHBondContact O-CG 3.49Å; L745-L749 PolarHBondContact O-N 3.1Å |
| 746 | Q | 90.4 | Very high | 91.8 | Very high | 83 Ų | 83 | 98.1 Ų | 98.1 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 176.9 | -170 | -175.7 | 12.3 | 0 | 0 | 111.7 | H742 L743 K750 | H742-Q746 WeakPolarHBondContact O-CB 3.49Å; H742-Q746 PolarHBondContact O-N 3.41Å; L743-Q746 PolarHBondContact O-N 3.5Å; Q746-K750 WeakPolarHBondContact O-CB 3.48Å; Q746-K750 WeakPolarHBondContact O-CG 3.3Å; Q746-K750 PolarHBondContact O-N 3Å |
| 747 | H | 93.1 | Very high | 91.9 | Very high | 100 Ų | 100 | 100.6 Ų | 100.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 174 | -177.1 | -87.7 | 0 | 0 | 0 | 111.5 | L743 L744 L745 L749 K750 E751 | L743-H747 WeakPolarHBondContact O-CB 3.26Å; L743-H747 PolarHBondContact O-N 2.9Å; L744-H747 WeakPolarHBondContact O-CB 3.41Å; L744-H747 PolarHBondContact O-N 3.2Å; L745-H747 VanDerWaalsContact C-N 3.31Å; L745-H747 PolarHBondContact O-N 2.84Å; H747-L749 VanDerWaalsContact C-N 3.31Å; H747-L749 PolarHBondContact O-N 3.41Å; H747-K750 WeakPolarHBondContact O-CB 3.43Å; H747-K750 PolarHBondContact O-N 3.25Å; H747-K750 VanDerWaalsContact O-N 3.14Å; H747-E751 IonicContact CE1-OE1 3.21Å; H747-E751 PolarHBondContact CE1-OE1 3.39Å; H747-E751 IonicContact CE1-OE2 3.51Å; H747-E751 IonicContact ND1-OE1 2.85Å; H747-E751 IonicContact ND1-OE2 3.79Å; H747-E751 IonicContact NE2-OE1 2.66Å; H747-E751 PolarHBondContact O-N 2.96Å |
| 748 | N | 92 | Very high | 92.1 | Very high | 79 Ų | 79 | 102.8 Ų | 102.8 | 42% | 0.422 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 178.7 | -68.4 | -16.5 | 0 | 0 | 0 | 112.3 | L744 L745 R752 | L744-N748 VanDerWaalsContact O-CG 3.28Å; L744-N748 PolarHBondContact O-N 2.99Å; L744-N748 PolarHBondContact O-ND2 2.94Å; L745-N748 PolarHBondContact O-N 3.45Å; N748-R752 WeakPolarHBondContact O-CB 3.42Å; N748-R752 PolarHBondContact O-N 3.15Å |
| 749 | L | 91.3 | Very high | 92.3 | Very high | 99 Ų | 99 | 101.6 Ų | 101.6 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 176.1 | -71.1 | 174 | 0 | 0 | 0 | 111.9 | L745 H747 R752 I753 | L745-L749 HydrophobicContact CG-CD1 4.17Å; L745-L749 WeakPolarHBondContact O-CB 3.49Å; L745-L749 WeakPolarHBondContact O-CG 3.49Å; L745-L749 PolarHBondContact O-N 3.1Å; H747-L749 VanDerWaalsContact C-N 3.31Å; H747-L749 PolarHBondContact O-N 3.41Å; L749-R752 PolarHBondContact O-N 2.86Å; L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.43Å; L749-I753 PolarHBondContact O-N 3.05Å |
| 750 | K | 92.7 | Very high | 92.3 | Very high | 122 Ų | 122 | 101.8 Ų | 101.8 | 53% | 0.53 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.6 | -78.1 | 177.1 | 178.4 | -179.6 | 0 | 111.6 | Q746 H747 R752 I753 T754 | Q746-K750 WeakPolarHBondContact O-CB 3.48Å; Q746-K750 WeakPolarHBondContact O-CG 3.3Å; Q746-K750 PolarHBondContact O-N 3Å; H747-K750 WeakPolarHBondContact O-CB 3.43Å; H747-K750 PolarHBondContact O-N 3.25Å; H747-K750 VanDerWaalsContact O-N 3.14Å; K750-R752 VanDerWaalsContact C-N 3.29Å; K750-R752 PolarHBondContact O-N 3.03Å; K750-I753 PolarHBondContact O-N 2.99Å; K750-T754 WeakPolarHBondContact O-CG2 3.45Å; K750-T754 PolarHBondContact O-N 3.41Å; K750-T754 PolarHBondContact O-OG1 3.46Å |
| 751 | E | 92.5 | Very high | 92.3 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 174.3 | -74.8 | -173.3 | 154.7 | 0 | 0 | 110.9 | H747 I753 T754 T755 | H747-E751 IonicContact CE1-OE1 3.21Å; H747-E751 PolarHBondContact CE1-OE1 3.39Å; H747-E751 IonicContact CE1-OE2 3.51Å; H747-E751 IonicContact ND1-OE1 2.85Å; H747-E751 IonicContact ND1-OE2 3.79Å; H747-E751 IonicContact NE2-OE1 2.66Å; H747-E751 PolarHBondContact O-N 2.96Å; E751-I753 VanDerWaalsContact C-N 3.35Å; E751-I753 PolarHBondContact O-N 3.24Å; E751-T754 WeakPolarHBondContact CA-OG1 3.29Å; E751-T754 PolarHBondContact O-N 3.31Å; E751-T754 PolarHBondContact O-OG1 3.07Å; E751-T755 WeakPolarHBondContact O-CG2 3.28Å; E751-T755 PolarHBondContact O-N 3.21Å; E751-T755 PolarHBondContact O-OG1 3.01Å |
| 752 | R | 94.6 | Very high | 92.4 | Very high | 160 Ų | 160 | 101.6 Ų | 101.6 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | 177 | -169.7 | 56.6 | 160.1 | 175.8 | -4.4 | 112.4 | N748 L749 K750 T755 L756 | N748-R752 WeakPolarHBondContact O-CB 3.42Å; N748-R752 PolarHBondContact O-N 3.15Å; L749-R752 PolarHBondContact O-N 2.86Å; K750-R752 VanDerWaalsContact C-N 3.29Å; K750-R752 PolarHBondContact O-N 3.03Å; R752-T755 PolarHBondContact O-N 3.45Å; R752-T755 PolarHBondContact O-OG1 3.34Å; R752-L756 HydrophobicContact CG-CD1 4.24Å; R752-L756 WeakPolarHBondContact O-CG 3.4Å; R752-L756 PolarHBondContact O-N 3.41Å |
| 753 | I | 92.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 97.7 Ų | 97.7 | 46% | 0.456 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 175 | -70.6 | 164.8 | 0 | 0 | 0 | 110.1 | L749 K750 E751 T755 L756 E757 | L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.43Å; L749-I753 PolarHBondContact O-N 3.05Å; K750-I753 PolarHBondContact O-N 2.99Å; E751-I753 VanDerWaalsContact C-N 3.35Å; E751-I753 PolarHBondContact O-N 3.24Å; I753-T755 VanDerWaalsContact C-N 3.3Å; I753-T755 PolarHBondContact O-N 2.73Å; I753-L756 PolarHBondContact O-N 2.94Å; I753-E757 HydrophobicContact CG2-CG 4.2Å; I753-E757 WeakPolarHBondContact CG2-OE1 3.32Å; I753-E757 WeakPolarHBondContact O-CG 3.44Å; I753-E757 PolarHBondContact O-N 3.3Å |
| 754 | T | 92.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 97.6 Ų | 97.6 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 179.6 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | K750 E751 E757 M758 | K750-T754 WeakPolarHBondContact O-CG2 3.45Å; K750-T754 PolarHBondContact O-N 3.41Å; K750-T754 PolarHBondContact O-OG1 3.46Å; E751-T754 WeakPolarHBondContact CA-OG1 3.29Å; E751-T754 PolarHBondContact O-N 3.31Å; E751-T754 PolarHBondContact O-OG1 3.07Å; T754-E757 PolarHBondContact O-N 3.42Å; T754-M758 PolarHBondContact O-N 2.91Å |
| 755 | T | 92.6 | Very high | 92.7 | Very high | 52 Ų | 52 | 95 Ų | 95 | 32% | 0.319 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.7 | 60 | 0 | 0 | 0 | 0 | 112 | E751 R752 I753 M758 H759 | E751-T755 WeakPolarHBondContact O-CG2 3.28Å; E751-T755 PolarHBondContact O-N 3.21Å; E751-T755 PolarHBondContact O-OG1 3.01Å; R752-T755 PolarHBondContact O-N 3.45Å; R752-T755 PolarHBondContact O-OG1 3.34Å; I753-T755 VanDerWaalsContact C-N 3.3Å; I753-T755 PolarHBondContact O-N 2.73Å; T755-M758 PolarHBondContact O-N 3.35Å; T755-H759 PolarHBondContact O-CD2 2.76Å; T755-H759 PolarHBondContact O-N 3.39Å |
| 756 | L | 92.7 | Very high | 92.7 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 178.3 | -71.8 | 172.2 | 0 | 0 | 0 | 111.9 | R752 I753 H759 L760 | R752-L756 HydrophobicContact CG-CD1 4.24Å; R752-L756 WeakPolarHBondContact O-CG 3.4Å; R752-L756 PolarHBondContact O-N 3.41Å; I753-L756 PolarHBondContact O-N 2.94Å; L756-H759 PolarHBondContact O-N 2.93Å; L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 PolarHBondContact O-N 3.48Å |
| 757 | E | 92.8 | Very high | 92.9 | Very high | 115 Ų | 115 | 98.2 Ų | 98.2 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.1 | -72.3 | 171.4 | 161.8 | 0 | 0 | 111.1 | I753 T754 L760 E761 | I753-E757 HydrophobicContact CG2-CG 4.2Å; I753-E757 WeakPolarHBondContact CG2-OE1 3.32Å; I753-E757 WeakPolarHBondContact O-CG 3.44Å; I753-E757 PolarHBondContact O-N 3.3Å; T754-E757 PolarHBondContact O-N 3.42Å; E757-L760 WeakPolarHBondContact O-CB 3.3Å; E757-L760 PolarHBondContact O-N 3.01Å; E757-E761 PolarHBondContact O-N 2.75Å |
| 758 | M | 93.9 | Very high | 92.9 | Very high | 119 Ų | 119 | 99.9 Ų | 99.9 | 59% | 0.586 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.3 | -47.1 | 172.8 | -77.4 | -177.3 | 59.2 | 0 | 0 | 112.3 | T754 T755 L760 E761 E762 | T754-M758 PolarHBondContact O-N 2.91Å; T755-M758 PolarHBondContact O-N 3.35Å; M758-L760 VanDerWaalsContact C-N 3.28Å; M758-L760 PolarHBondContact O-N 2.94Å; M758-E761 PolarHBondContact O-N 2.94Å; M758-E762 WeakPolarHBondContact O-CG 3.42Å; M758-E762 PolarHBondContact O-N 3.3Å |
| 759 | H | 94.3 | Very high | 92.9 | Very high | 115 Ų | 115 | 100.7 Ų | 100.7 | 53% | 0.532 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 177.3 | -77.5 | -68.5 | 0 | 0 | 0 | 112.5 | T755 L756 A763 | T755-H759 PolarHBondContact O-CD2 2.76Å; T755-H759 PolarHBondContact O-N 3.39Å; L756-H759 PolarHBondContact O-N 2.93Å; H759-A763 WeakPolarHBondContact O-CB 3.41Å; H759-A763 PolarHBondContact O-N 3.3Å |
| 760 | L | 91.4 | Very high | 93 | Very high | 102 Ų | 102 | 102.3 Ų | 102.3 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 176 | -176.1 | 66.7 | 0 | 0 | 0 | 111.2 | L756 E757 M758 A763 Q764 | L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 PolarHBondContact O-N 3.48Å; E757-L760 WeakPolarHBondContact O-CB 3.3Å; E757-L760 PolarHBondContact O-N 3.01Å; M758-L760 VanDerWaalsContact C-N 3.28Å; M758-L760 PolarHBondContact O-N 2.94Å; L760-A763 PolarHBondContact O-N 2.83Å; L760-Q764 VanDerWaalsContact O-CG 3.31Å; L760-Q764 WeakPolarHBondContact O-CG 3.35Å; L760-Q764 PolarHBondContact O-N 2.91Å |
| 761 | E | 92.6 | Very high | 92.9 | Very high | 123 Ų | 123 | 101.4 Ų | 101.4 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 176.7 | -171 | 163.5 | -162.7 | 0 | 0 | 111.8 | E757 M758 A763 Q764 T765 | E757-E761 PolarHBondContact O-N 2.75Å; M758-E761 PolarHBondContact O-N 2.94Å; E761-A763 PolarHBondContact O-N 3.16Å; E761-Q764 PolarHBondContact O-N 3.46Å; E761-T765 WeakPolarHBondContact O-CG2 3.3Å; E761-T765 PolarHBondContact O-N 3.36Å; E761-T765 PolarHBondContact O-OG1 2.89Å |
| 762 | E | 92.7 | Very high | 92.9 | Very high | 81 Ų | 81 | 100.1 Ų | 100.1 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 170 | -76.1 | -174.7 | -169.1 | 0 | 0 | 112.4 | M758 T765 R766 | M758-E762 WeakPolarHBondContact O-CG 3.42Å; M758-E762 PolarHBondContact O-N 3.3Å; E762-T765 WeakPolarHBondContact CA-OG1 3.49Å; E762-T765 PolarHBondContact O-N 2.72Å; E762-T765 PolarHBondContact O-OG1 3.36Å; E762-R766 WeakPolarHBondContact O-CG 3.27Å; E762-R766 PolarHBondContact O-N 3.4Å; E762-R766 VanDerWaalsContact O-N 3.08Å; E762-R766 IonicContact OE2-NH2 3.32Å; E762-R766 PolarHBondContact OE2-NH2 3.02Å |
| 763 | A | 92.5 | Very high | 92.8 | Very high | 39 Ų | 39 | 97.2 Ų | 97.2 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H759 L760 E761 T765 R766 I767 | H759-A763 WeakPolarHBondContact O-CB 3.41Å; H759-A763 PolarHBondContact O-N 3.3Å; L760-A763 PolarHBondContact O-N 2.83Å; E761-A763 PolarHBondContact O-N 3.16Å; A763-T765 PolarHBondContact O-N 2.97Å; A763-R766 PolarHBondContact O-N 3.05Å; A763-I767 WeakPolarHBondContact O-CG1 3.48Å; A763-I767 PolarHBondContact O-N 3.16Å |
| 764 | Q | 93.7 | Very high | 92.8 | Very high | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.4 | -73.9 | 176.3 | -1.2 | 0 | 0 | 112.6 | L760 E761 I767 R768 | L760-Q764 VanDerWaalsContact O-CG 3.31Å; L760-Q764 WeakPolarHBondContact O-CG 3.35Å; L760-Q764 PolarHBondContact O-N 2.91Å; E761-Q764 PolarHBondContact O-N 3.46Å; Q764-I767 PolarHBondContact O-N 2.79Å; Q764-R768 PolarHBondContact O-N 3.46Å |
| 765 | T | 93.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 103.8 Ų | 103.8 | 33% | 0.325 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 173.5 | 53 | 0 | 0 | 0 | 0 | 111.5 | E761 E762 A763 R768 N769 | E761-T765 WeakPolarHBondContact O-CG2 3.3Å; E761-T765 PolarHBondContact O-N 3.36Å; E761-T765 PolarHBondContact O-OG1 2.89Å; E762-T765 WeakPolarHBondContact CA-OG1 3.49Å; E762-T765 PolarHBondContact O-N 2.72Å; E762-T765 PolarHBondContact O-OG1 3.36Å; A763-T765 PolarHBondContact O-N 2.97Å; T765-R768 PolarHBondContact O-N 3.11Å; T765-N769 VanDerWaalsContact O-CG 3.25Å; T765-N769 PolarHBondContact O-N 3.14Å; T765-N769 PolarHBondContact O-ND2 2.95Å |
| 766 | R | 93.8 | Very high | 92.7 | Very high | 150 Ų | 150 | 106.6 Ų | 106.6 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 173.2 | -69.8 | 177.3 | -159.8 | 166 | 10.5 | 112.4 | E762 A763 N769 H770 | E762-R766 WeakPolarHBondContact O-CG 3.27Å; E762-R766 PolarHBondContact O-N 3.4Å; E762-R766 VanDerWaalsContact O-N 3.08Å; E762-R766 IonicContact OE2-NH2 3.32Å; E762-R766 PolarHBondContact OE2-NH2 3.02Å; A763-R766 PolarHBondContact O-N 3.05Å; R766-N769 PolarHBondContact O-N 3.43Å; R766-H770 PolarHBondContact O-CD2 3.28Å; R766-H770 PolarHBondContact O-N 2.9Å |
| 767 | I | 93.9 | Very high | 92.6 | Very high | 97 Ų | 97 | 106.8 Ų | 106.8 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 176 | -69.7 | 166.4 | 0 | 0 | 0 | 110.6 | A763 Q764 N769 H770 E771 | A763-I767 WeakPolarHBondContact O-CG1 3.48Å; A763-I767 PolarHBondContact O-N 3.16Å; Q764-I767 PolarHBondContact O-N 2.79Å; I767-N769 VanDerWaalsContact C-N 3.29Å; I767-N769 PolarHBondContact O-N 3.46Å; I767-H770 PolarHBondContact O-N 3.49Å; I767-H770 VanDerWaalsContact O-N 3.13Å; I767-E771 HydrophobicContact CG2-CG 4.48Å; I767-E771 WeakPolarHBondContact O-CG 3.45Å; I767-E771 PolarHBondContact O-N 2.89Å |
| 768 | R | 93 | Very high | 92.5 | Very high | 134 Ų | 134 | 107.9 Ų | 107.9 | 51% | 0.506 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -42 | 175.3 | -80.9 | -175.2 | -77.7 | 160.5 | -9.7 | 112.3 | Q764 T765 E771 N772 | Q764-R768 PolarHBondContact O-N 3.46Å; T765-R768 PolarHBondContact O-N 3.11Å; R768-E771 PolarHBondContact O-N 3.02Å; R768-N772 PolarHBondContact O-N 3.37Å |
| 769 | N | 92.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 107.5 Ų | 107.5 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.3 | -70 | -13.5 | 0 | 0 | 0 | 112 | T765 R766 I767 E771 N772 L773 | T765-N769 VanDerWaalsContact O-CG 3.25Å; T765-N769 PolarHBondContact O-N 3.14Å; T765-N769 PolarHBondContact O-ND2 2.95Å; R766-N769 PolarHBondContact O-N 3.43Å; I767-N769 VanDerWaalsContact C-N 3.29Å; I767-N769 PolarHBondContact O-N 3.46Å; N769-E771 VanDerWaalsContact C-N 3.33Å; N769-E771 PolarHBondContact O-N 3.41Å; N769-N772 PolarHBondContact O-N 3.45Å; N769-L773 WeakPolarHBondContact O-CG 3.47Å; N769-L773 PolarHBondContact O-N 3.07Å |
| 770 | H | 91.8 | Very high | 92.2 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 61% | 0.611 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -37 | 174.4 | -77.7 | -56.5 | 0 | 0 | 0 | 112.7 | R766 I767 R774 | R766-H770 PolarHBondContact O-CD2 3.28Å; R766-H770 PolarHBondContact O-N 2.9Å; I767-H770 PolarHBondContact O-N 3.49Å; I767-H770 VanDerWaalsContact O-N 3.13Å; H770-R774 VanDerWaalsContact O-CB 3.28Å; H770-R774 WeakPolarHBondContact O-CB 3.33Å; H770-R774 PolarHBondContact O-N 2.95Å |
| 771 | E | 92.5 | Very high | 92.1 | Very high | 103 Ų | 103 | 108.3 Ų | 108.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 174.3 | -73.2 | 179.6 | 171.4 | 0 | 0 | 112.2 | I767 R768 N769 R774 K775 | I767-E771 HydrophobicContact CG2-CG 4.48Å; I767-E771 WeakPolarHBondContact O-CG 3.45Å; I767-E771 PolarHBondContact O-N 2.89Å; R768-E771 PolarHBondContact O-N 3.02Å; N769-E771 VanDerWaalsContact C-N 3.33Å; N769-E771 PolarHBondContact O-N 3.41Å; E771-R774 WeakPolarHBondContact O-CB 3.36Å; E771-R774 PolarHBondContact O-N 2.92Å; E771-K775 WeakPolarHBondContact O-CG 3.34Å; E771-K775 PolarHBondContact O-N 2.94Å |
| 772 | N | 92.3 | Very high | 91.9 | Very high | 75 Ų | 75 | 105.2 Ų | 105.2 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 174.9 | -71.7 | -17.5 | 0 | 0 | 0 | 111.4 | R768 N769 R774 K775 E776 | R768-N772 PolarHBondContact O-N 3.37Å; N769-N772 PolarHBondContact O-N 3.45Å; N772-R774 PolarHBondContact O-N 3.06Å; N772-K775 WeakPolarHBondContact O-CA 3.4Å; N772-K775 WeakPolarHBondContact O-CB 3.38Å; N772-K775 PolarHBondContact O-N 2.65Å; N772-E776 WeakPolarHBondContact O-CG 3.31Å; N772-E776 PolarHBondContact O-N 3.5Å |
| 773 | L | 91.6 | Very high | 91.7 | Very high | 99 Ų | 99 | 104.8 Ų | 104.8 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -34.4 | 173.6 | -73.3 | 168.1 | 0 | 0 | 0 | 112.1 | N769 E776 L777 | N769-L773 WeakPolarHBondContact O-CG 3.47Å; N769-L773 PolarHBondContact O-N 3.07Å; L773-E776 PolarHBondContact O-N 3.29Å; L773-L777 VanDerWaalsContact O-CB 3.31Å; L773-L777 WeakPolarHBondContact O-CB 3.5Å; L773-L777 PolarHBondContact O-N 3.06Å |
| 774 | R | 92.3 | Very high | 91.4 | Very high | 169 Ų | 169 | 107.5 Ų | 107.5 | 64% | 0.638 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.7 | -35.9 | 175.7 | -168.1 | 177.9 | -173.2 | 179.4 | 3 | 112 | H770 E771 N772 K778 | H770-R774 VanDerWaalsContact O-CB 3.28Å; H770-R774 WeakPolarHBondContact O-CB 3.33Å; H770-R774 PolarHBondContact O-N 2.95Å; E771-R774 WeakPolarHBondContact O-CB 3.36Å; E771-R774 PolarHBondContact O-N 2.92Å; N772-R774 PolarHBondContact O-N 3.06Å; R774-K778 WeakPolarHBondContact O-CB 3.3Å; R774-K778 WeakPolarHBondContact O-CG 3.32Å; R774-K778 PolarHBondContact O-N 3.03Å |
| 775 | K | 91.4 | Very high | 91.1 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -45.7 | 172 | -71.3 | 170.8 | -174.8 | 169.9 | 0 | 110.3 | E771 N772 L777 K778 Q779 | E771-K775 WeakPolarHBondContact O-CG 3.34Å; E771-K775 PolarHBondContact O-N 2.94Å; N772-K775 WeakPolarHBondContact O-CA 3.4Å; N772-K775 WeakPolarHBondContact O-CB 3.38Å; N772-K775 PolarHBondContact O-N 2.65Å; K775-L777 PolarHBondContact O-N 3.31Å; K775-K778 WeakPolarHBondContact O-CB 3.5Å; K775-K778 PolarHBondContact O-N 3.34Å; K775-Q779 WeakPolarHBondContact O-CB 3.26Å; K775-Q779 PolarHBondContact O-N 3.49Å |
| 776 | E | 91.5 | Very high | 90.6 | Very high | 110 Ų | 110 | 106.6 Ų | 106.6 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 174.1 | -71.5 | 172.1 | -167.6 | 0 | 0 | 111.5 | N772 L773 K778 Q779 Q780 | N772-E776 WeakPolarHBondContact O-CG 3.31Å; N772-E776 PolarHBondContact O-N 3.5Å; L773-E776 PolarHBondContact O-N 3.29Å; E776-K778 PolarHBondContact O-N 3.1Å; E776-Q779 CarbonylContact O-C 3.56Å; E776-Q779 WeakPolarHBondContact O-CB 3.33Å; E776-Q779 PolarHBondContact O-N 3.39Å; E776-Q780 WeakPolarHBondContact O-CB 3.5Å; E776-Q780 WeakPolarHBondContact O-CG 3.27Å; E776-Q780 PolarHBondContact O-N 2.94Å |
| 777 | L | 90.4 | Very high | 90.2 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.4 | -177.5 | 70.2 | 0 | 0 | 0 | 112 | L773 K775 K781 | L773-L777 VanDerWaalsContact O-CB 3.31Å; L773-L777 WeakPolarHBondContact O-CB 3.5Å; L773-L777 PolarHBondContact O-N 3.06Å; K775-L777 PolarHBondContact O-N 3.31Å; L777-K781 WeakPolarHBondContact O-CB 3.41Å; L777-K781 WeakPolarHBondContact O-CG 3.35Å; L777-K781 PolarHBondContact O-N 2.89Å |
| 778 | K | 90.9 | Very high | 89.8 | Confident | 138 Ų | 138 | 105.6 Ų | 105.6 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 174.7 | -79 | 179.1 | 179.3 | -176.2 | 0 | 111.2 | R774 K775 E776 K781 A782 | R774-K778 WeakPolarHBondContact O-CB 3.3Å; R774-K778 WeakPolarHBondContact O-CG 3.32Å; R774-K778 PolarHBondContact O-N 3.03Å; K775-K778 WeakPolarHBondContact O-CB 3.5Å; K775-K778 PolarHBondContact O-N 3.34Å; E776-K778 PolarHBondContact O-N 3.1Å; K778-K781 PolarHBondContact O-N 3.42Å; K778-A782 WeakPolarHBondContact O-CB 3.47Å; K778-A782 PolarHBondContact O-N 3.4Å |
| 779 | Q | 92 | Very high | 89.3 | Confident | 111 Ų | 111 | 102.8 Ų | 102.8 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 176.5 | 178.9 | 177.7 | -7.5 | 0 | 0 | 110.7 | K775 E776 K781 A782 E783 | K775-Q779 WeakPolarHBondContact O-CB 3.26Å; K775-Q779 PolarHBondContact O-N 3.49Å; E776-Q779 CarbonylContact O-C 3.56Å; E776-Q779 WeakPolarHBondContact O-CB 3.33Å; E776-Q779 PolarHBondContact O-N 3.39Å; Q779-K781 VanDerWaalsContact C-N 3.33Å; Q779-K781 PolarHBondContact O-N 2.92Å; Q779-A782 CarbonylContact O-C 3.19Å; Q779-A782 WeakPolarHBondContact O-CB 3.23Å; Q779-A782 PolarHBondContact O-N 2.81Å; Q779-A782 VanDerWaalsContact O-N 3.09Å; Q779-E783 HydrophobicContact CG-CG 4.47Å; Q779-E783 WeakPolarHBondContact CG-OE1 3.48Å; Q779-E783 PolarHBondContact NE2-OE1 3.33Å; Q779-E783 WeakPolarHBondContact O-CB 3.39Å; Q779-E783 WeakPolarHBondContact O-CG 3.48Å; Q779-E783 PolarHBondContact O-N 2.84Å |
| 780 | Q | 89.8 | Confident | 88.8 | Confident | 102 Ų | 102 | 103 Ų | 103 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.5 | -73.1 | -61.8 | -55.9 | 0 | 0 | 111.5 | E776 A782 E783 M784 | E776-Q780 WeakPolarHBondContact O-CB 3.5Å; E776-Q780 WeakPolarHBondContact O-CG 3.27Å; E776-Q780 PolarHBondContact O-N 2.94Å; Q780-A782 PolarHBondContact O-N 3.34Å; Q780-E783 PolarHBondContact NE2-OE2 2.89Å; Q780-E783 PolarHBondContact O-N 3.22Å; Q780-M784 WeakPolarHBondContact O-CB 3.42Å; Q780-M784 VanDerWaalsContact O-CG 3.24Å; Q780-M784 WeakPolarHBondContact O-CG 3.27Å; Q780-M784 PolarHBondContact O-N 3.31Å |
| 781 | K | 90.6 | Very high | 88.2 | Confident | 132 Ų | 132 | 101.1 Ų | 101.1 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 172.3 | -80.1 | -176.1 | 178 | -171.3 | 0 | 112.1 | L777 K778 Q779 M784 T785 | L777-K781 WeakPolarHBondContact O-CB 3.41Å; L777-K781 WeakPolarHBondContact O-CG 3.35Å; L777-K781 PolarHBondContact O-N 2.89Å; K778-K781 PolarHBondContact O-N 3.42Å; Q779-K781 VanDerWaalsContact C-N 3.33Å; Q779-K781 PolarHBondContact O-N 2.92Å; K781-M784 PolarHBondContact O-N 2.86Å; K781-T785 WeakPolarHBondContact O-CB 3.32Å; K781-T785 PolarHBondContact O-N 3.34Å; K781-T785 PolarHBondContact O-OG1 3.25Å |
| 782 | A | 86.7 | Confident | 87.6 | Confident | 59 Ų | 59 | 98.8 Ų | 98.8 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | K778 Q779 Q780 T785 A786 | K778-A782 WeakPolarHBondContact O-CB 3.47Å; K778-A782 PolarHBondContact O-N 3.4Å; Q779-A782 CarbonylContact O-C 3.19Å; Q779-A782 WeakPolarHBondContact O-CB 3.23Å; Q779-A782 PolarHBondContact O-N 2.81Å; Q779-A782 VanDerWaalsContact O-N 3.09Å; Q780-A782 PolarHBondContact O-N 3.34Å; A782-T785 PolarHBondContact O-N 3.45Å; A782-A786 WeakPolarHBondContact O-CB 3.38Å; A782-A786 PolarHBondContact O-N 2.95Å |
| 783 | E | 89 | Confident | 86.9 | Confident | 72 Ų | 72 | 96.3 Ų | 96.3 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 172.8 | -76 | 173.1 | -163.6 | 0 | 0 | 111 | Q779 Q780 A786 Q787 | Q779-E783 HydrophobicContact CG-CG 4.47Å; Q779-E783 WeakPolarHBondContact CG-OE1 3.48Å; Q779-E783 PolarHBondContact NE2-OE1 3.33Å; Q779-E783 WeakPolarHBondContact O-CB 3.39Å; Q779-E783 WeakPolarHBondContact O-CG 3.48Å; Q779-E783 PolarHBondContact O-N 2.84Å; Q780-E783 PolarHBondContact NE2-OE2 2.89Å; Q780-E783 PolarHBondContact O-N 3.22Å; E783-A786 PolarHBondContact O-N 2.93Å; E783-Q787 WeakPolarHBondContact O-CB 3.41Å; E783-Q787 VanDerWaalsContact O-CG 3.26Å; E783-Q787 WeakPolarHBondContact O-CG 3.45Å; E783-Q787 PolarHBondContact O-N 3.42Å |
| 784 | M | 86.8 | Confident | 86.1 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 173.9 | -72.3 | -58 | -57.6 | 0 | 0 | 111.7 | Q780 K781 A786 Q787 E788 | Q780-M784 WeakPolarHBondContact O-CB 3.42Å; Q780-M784 VanDerWaalsContact O-CG 3.24Å; Q780-M784 WeakPolarHBondContact O-CG 3.27Å; Q780-M784 PolarHBondContact O-N 3.31Å; K781-M784 PolarHBondContact O-N 2.86Å; M784-A786 VanDerWaalsContact C-N 3.32Å; M784-A786 PolarHBondContact O-N 3.42Å; M784-Q787 CarbonylContact O-C 3.32Å; M784-Q787 PolarHBondContact O-N 2.9Å; M784-E788 WeakPolarHBondContact O-CB 3.41Å; M784-E788 VanDerWaalsContact O-CG 3.28Å; M784-E788 WeakPolarHBondContact O-CG 3.45Å; M784-E788 PolarHBondContact O-N 3.25Å |
| 785 | T | 86.4 | Confident | 85.3 | Confident | 84 Ų | 84 | 95.1 Ų | 95.1 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | K781 A782 E788 S789 | K781-T785 WeakPolarHBondContact O-CB 3.32Å; K781-T785 PolarHBondContact O-N 3.34Å; K781-T785 PolarHBondContact O-OG1 3.25Å; A782-T785 PolarHBondContact O-N 3.45Å; T785-E788 PolarHBondContact O-N 3.02Å; T785-S789 WeakPolarHBondContact O-CB 3.45Å; T785-S789 PolarHBondContact O-N 3.47Å |
| 786 | A | 83.5 | Confident | 84.2 | Confident | 47 Ų | 47 | 90.8 Ų | 90.8 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A782 E783 M784 S789 I790 | A782-A786 WeakPolarHBondContact O-CB 3.38Å; A782-A786 PolarHBondContact O-N 2.95Å; E783-A786 PolarHBondContact O-N 2.93Å; M784-A786 VanDerWaalsContact C-N 3.32Å; M784-A786 PolarHBondContact O-N 3.42Å; A786-S789 CarbonylContact O-C 3.35Å; A786-S789 PolarHBondContact O-N 3.3Å; A786-I790 WeakPolarHBondContact O-CB 3.33Å; A786-I790 WeakPolarHBondContact O-CG1 3.4Å; A786-I790 PolarHBondContact O-N 2.89Å |
| 787 | Q | 85.3 | Confident | 82.7 | Confident | 107 Ų | 107 | 89.9 Ų | 89.9 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 173.7 | -74.7 | 176.2 | 8.5 | 0 | 0 | 111.8 | E783 M784 S789 I790 I791 | E783-Q787 WeakPolarHBondContact O-CB 3.41Å; E783-Q787 VanDerWaalsContact O-CG 3.26Å; E783-Q787 WeakPolarHBondContact O-CG 3.45Å; E783-Q787 PolarHBondContact O-N 3.42Å; M784-Q787 CarbonylContact O-C 3.32Å; M784-Q787 PolarHBondContact O-N 2.9Å; Q787-S789 VanDerWaalsContact C-N 3.29Å; Q787-S789 PolarHBondContact O-N 2.88Å; Q787-I790 PolarHBondContact O-N 3.48Å; Q787-I791 WeakPolarHBondContact O-CB 3.49Å; Q787-I791 WeakPolarHBondContact O-CD1 3.33Å; Q787-I791 WeakPolarHBondContact O-CG1 3.4Å; Q787-I791 PolarHBondContact O-N 2.92Å |
| 788 | E | 85.1 | Confident | 81.4 | Confident | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.5 | -41.9 | 171.7 | -74.8 | 171.1 | 173.1 | 0 | 0 | 111 | M784 T785 I791 A792 | M784-E788 WeakPolarHBondContact O-CB 3.41Å; M784-E788 VanDerWaalsContact O-CG 3.28Å; M784-E788 WeakPolarHBondContact O-CG 3.45Å; M784-E788 PolarHBondContact O-N 3.25Å; T785-E788 PolarHBondContact O-N 3.02Å; E788-I791 PolarHBondContact O-N 3.33Å; E788-A792 WeakPolarHBondContact O-CB 3.22Å; E788-A792 PolarHBondContact O-N 3.04Å |
| 789 | S | 83.2 | Confident | 80.1 | Confident | 75 Ų | 75 | 96.5 Ų | 96.5 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.7 | -33.1 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | T785 A786 Q787 G793 | T785-S789 WeakPolarHBondContact O-CB 3.45Å; T785-S789 PolarHBondContact O-N 3.47Å; A786-S789 CarbonylContact O-C 3.35Å; A786-S789 PolarHBondContact O-N 3.3Å; Q787-S789 VanDerWaalsContact C-N 3.29Å; Q787-S789 PolarHBondContact O-N 2.88Å; S789-G793 VanDerWaalsContact O-CA 3.26Å; S789-G793 WeakPolarHBondContact O-CA 3.5Å; S789-G793 PolarHBondContact O-N 3.43Å |
| 790 | I | 81.6 | Confident | 78.3 | Confident | 101 Ų | 101 | 94.1 Ų | 94.1 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.3 | -39 | 171.3 | -72.2 | 163.8 | 0 | 0 | 0 | 108.9 | A786 Q787 G793 L794 | A786-I790 WeakPolarHBondContact O-CB 3.33Å; A786-I790 WeakPolarHBondContact O-CG1 3.4Å; A786-I790 PolarHBondContact O-N 2.89Å; Q787-I790 PolarHBondContact O-N 3.48Å; I790-G793 CarbonylContact O-C 3.56Å; I790-G793 PolarHBondContact O-N 2.91Å; I790-L794 HydrophobicContact CG2-CD1 3.76Å; I790-L794 HydrophobicContact CG2-CG 4.04Å; I790-L794 VanDerWaalsContact O-CB 3.25Å; I790-L794 WeakPolarHBondContact O-CB 3.49Å; I790-L794 WeakPolarHBondContact O-CG 3.39Å; I790-L794 PolarHBondContact O-N 3.28Å |
| 791 | I | 79.2 | Confident | 76.2 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 173.8 | -70.1 | 162.9 | 0 | 0 | 0 | 110.1 | Q787 E788 K795 | Q787-I791 WeakPolarHBondContact O-CB 3.49Å; Q787-I791 WeakPolarHBondContact O-CD1 3.33Å; Q787-I791 WeakPolarHBondContact O-CG1 3.4Å; Q787-I791 PolarHBondContact O-N 2.92Å; E788-I791 PolarHBondContact O-N 3.33Å; I791-K795 HydrophobicContact CG2-CD 4.31Å; I791-K795 WeakPolarHBondContact O-CB 3.26Å; I791-K795 WeakPolarHBondContact O-CD 3.41Å; I791-K795 WeakPolarHBondContact O-CG 3.48Å; I791-K795 PolarHBondContact O-N 3.28Å; I791-K795 VanDerWaalsContact O-N 3.09Å |
| 792 | A | 80.1 | Confident | 74.2 | Confident | 54 Ų | 54 | 94.5 Ų | 94.5 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | E788 K795 A796 | E788-A792 WeakPolarHBondContact O-CB 3.22Å; E788-A792 PolarHBondContact O-N 3.04Å; A792-K795 CarbonylContact O-C 3.56Å; A792-K795 WeakPolarHBondContact O-CB 3.3Å; A792-K795 PolarHBondContact O-N 3.02Å; A792-A796 VanDerWaalsContact O-CB 3.26Å; A792-A796 WeakPolarHBondContact O-CB 3.4Å; A792-A796 PolarHBondContact O-N 3.42Å |
| 793 | G | 76.8 | Confident | 72.4 | Confident | 23 Ų | 23 | 97.4 Ų | 97.4 | 24% | 0.237 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.3 | -55.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S789 I790 K795 A796 E797 | S789-G793 VanDerWaalsContact O-CA 3.26Å; S789-G793 WeakPolarHBondContact O-CA 3.5Å; S789-G793 PolarHBondContact O-N 3.43Å; I790-G793 CarbonylContact O-C 3.56Å; I790-G793 PolarHBondContact O-N 2.91Å; G793-K795 PolarHBondContact O-N 3.43Å; G793-A796 CarbonylContact O-C 3.59Å; G793-A796 WeakPolarHBondContact O-CA 3.45Å; G793-A796 PolarHBondContact O-N 2.99Å; G793-E797 WeakPolarHBondContact O-CA 3.41Å; G793-E797 WeakPolarHBondContact O-CB 3.43Å; G793-E797 PolarHBondContact O-N 3.01Å |
| 794 | L | 76.5 | Confident | 70.5 | Confident | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.8 | -36.7 | 172 | -69.6 | 171.7 | 0 | 0 | 0 | 112.2 | I790 R798 | I790-L794 HydrophobicContact CG2-CD1 3.76Å; I790-L794 HydrophobicContact CG2-CG 4.04Å; I790-L794 VanDerWaalsContact O-CB 3.25Å; I790-L794 WeakPolarHBondContact O-CB 3.49Å; I790-L794 WeakPolarHBondContact O-CG 3.39Å; I790-L794 PolarHBondContact O-N 3.28Å; L794-R798 VanDerWaalsContact O-CB 3.22Å; L794-R798 WeakPolarHBondContact O-CB 3.35Å; L794-R798 PolarHBondContact O-N 3.41Å |
| 795 | K | 75.3 | Confident | 68.6 | Low | 132 Ų | 132 | 100.8 Ų | 100.8 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.3 | -38.3 | 171.8 | -74.7 | 169 | -177.5 | 177.9 | 0 | 112.4 | I791 A792 G793 | I791-K795 HydrophobicContact CG2-CD 4.31Å; I791-K795 WeakPolarHBondContact O-CB 3.26Å; I791-K795 WeakPolarHBondContact O-CD 3.41Å; I791-K795 WeakPolarHBondContact O-CG 3.48Å; I791-K795 PolarHBondContact O-N 3.28Å; I791-K795 VanDerWaalsContact O-N 3.09Å; A792-K795 CarbonylContact O-C 3.56Å; A792-K795 WeakPolarHBondContact O-CB 3.3Å; A792-K795 PolarHBondContact O-N 3.02Å; G793-K795 PolarHBondContact O-N 3.43Å |
| 796 | A | 68.7 | Low | 67 | Low | 41 Ų | 41 | 100.8 Ų | 100.8 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -87.2 | -25.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A792 G793 R799 N800 | A792-A796 VanDerWaalsContact O-CB 3.26Å; A792-A796 WeakPolarHBondContact O-CB 3.4Å; A792-A796 PolarHBondContact O-N 3.42Å; G793-A796 CarbonylContact O-C 3.59Å; G793-A796 WeakPolarHBondContact O-CA 3.45Å; G793-A796 PolarHBondContact O-N 2.99Å; A796-R799 CarbonylContact O-C 3.4Å; A796-R799 VanDerWaalsContact O-CA 3.29Å; A796-R799 WeakPolarHBondContact O-CA 3.31Å; A796-R799 WeakPolarHBondContact O-CB 3.49Å; A796-R799 PolarHBondContact O-N 3.36Å; A796-R799 VanDerWaalsContact O-N 3.09Å; A796-N800 VanDerWaalsContact O-CB 3.28Å; A796-N800 WeakPolarHBondContact O-CB 3.48Å; A796-N800 VanDerWaalsContact O-CG 3.3Å; A796-N800 PolarHBondContact O-N 3.5Å |
| 797 | E | 58.5 | Low | 65.5 | Low | 92 Ų | 92 | 106 Ų | 106 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -84 | -33.4 | 176.8 | -85.5 | -170.4 | -170.4 | 0 | 0 | 109.4 | G793 R799 N800 W801 | G793-E797 WeakPolarHBondContact O-CA 3.41Å; G793-E797 WeakPolarHBondContact O-CB 3.43Å; G793-E797 PolarHBondContact O-N 3.01Å; E797-R799 PolarHBondContact O-N 2.95Å; E797-R799 VanDerWaalsContact O-N 3.11Å; E797-N800 PolarHBondContact O-N 2.94Å; E797-W801 VanDerWaalsContact CB-CD1 3.41Å; E797-W801 HydrophobicContact CB-CG 4.41Å; E797-W801 WeakPolarHBondContact O-CA 3.37Å; E797-W801 WeakPolarHBondContact O-CB 3.48Å; E797-W801 VanDerWaalsContact O-CD1 3.23Å; E797-W801 PolarHBondContact O-N 2.84Å; E797-W801 PolarHBondContact OE2-NE1 3.22Å |
| 798 | R | 64.3 | Low | 63.5 | Low | 208 Ų | 208 | 107.5 Ų | 107.5 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -53.4 | -30.3 | 157.7 | -173.1 | -176.3 | 68.2 | -171.6 | 2 | 111.9 | L794 | L794-R798 VanDerWaalsContact O-CB 3.22Å; L794-R798 WeakPolarHBondContact O-CB 3.35Å; L794-R798 PolarHBondContact O-N 3.41Å |
| 799 | R | 63.6 | Low | 61.8 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 63% | 0.634 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -82.7 | -42 | 177.5 | -148.2 | -168 | 84 | 97.1 | 11.7 | 112.4 | A796 E797 | A796-R799 CarbonylContact O-C 3.4Å; A796-R799 VanDerWaalsContact O-CA 3.29Å; A796-R799 WeakPolarHBondContact O-CA 3.31Å; A796-R799 WeakPolarHBondContact O-CB 3.49Å; A796-R799 PolarHBondContact O-N 3.36Å; A796-R799 VanDerWaalsContact O-N 3.09Å; E797-R799 PolarHBondContact O-N 2.95Å; E797-R799 VanDerWaalsContact O-N 3.11Å |
| 800 | N | 52.6 | Low | 60.5 | Low | 61 Ų | 61 | 107.5 Ų | 107.5 | 33% | 0.326 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -105.5 | -10.9 | -168 | -67.4 | 2.1 | 0 | 0 | 0 | 113.8 | A796 E797 G802 E803 E804 | A796-N800 VanDerWaalsContact O-CB 3.28Å; A796-N800 WeakPolarHBondContact O-CB 3.48Å; A796-N800 VanDerWaalsContact O-CG 3.3Å; A796-N800 PolarHBondContact O-N 3.5Å; E797-N800 PolarHBondContact O-N 2.94Å; N800-G802 PolarHBondContact O-N 2.89Å; N800-E803 CarbonylContact O-C 3.54Å; N800-E803 WeakPolarHBondContact O-CA 3.46Å; N800-E803 PolarHBondContact O-N 3.38Å; N800-E804 PolarHBondContact O-N 2.84Å |
| 801 | W | 45.8 | Very low | 59.2 | Low | 173 Ų | 173 | 105.7 Ų | 105.7 | 66% | 0.655 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -12.7 | 159.6 | -75.6 | 39.3 | 0 | 0 | 0 | 110.8 | E797 E803 | E797-W801 VanDerWaalsContact CB-CD1 3.41Å; E797-W801 HydrophobicContact CB-CG 4.41Å; E797-W801 WeakPolarHBondContact O-CA 3.37Å; E797-W801 WeakPolarHBondContact O-CB 3.48Å; E797-W801 VanDerWaalsContact O-CD1 3.23Å; E797-W801 PolarHBondContact O-N 2.84Å; E797-W801 PolarHBondContact OE2-NE1 3.22Å; W801-E803 VanDerWaalsContact C-N 3.31Å |
| 802 | G | 48.4 | Very low | 58.5 | Low | 69 Ų | 69 | 107.7 Ų | 107.7 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -23.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N800 | N800-G802 PolarHBondContact O-N 2.89Š|
| 803 | E | 49.7 | Very low | 57.5 | Low | 120 Ų | 120 | 109.3 Ų | 109.3 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -37.1 | -169.3 | -70.2 | -179.4 | 170.6 | 0 | 0 | 114.4 | N800 W801 | N800-E803 CarbonylContact O-C 3.54Å; N800-E803 WeakPolarHBondContact O-CA 3.46Å; N800-E803 PolarHBondContact O-N 3.38Å; W801-E803 VanDerWaalsContact C-N 3.31Å |
| 804 | E | 49.1 | Very low | 57.1 | Low | 84 Ų | 84 | 116.1 Ų | 116.1 | 39% | 0.393 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -102 | 1 | -168.3 | -153.4 | 59.8 | -164.5 | 0 | 0 | 115.4 | N800 A806 K807 Q808 | N800-E804 PolarHBondContact O-N 2.84Å; E804-A806 PolarHBondContact O-N 3.44Å; E804-K807 PolarHBondContact O-N 3.29Å; E804-K807 WeakPolarHBondContact OE1-CB 3.28Å; E804-Q808 HydrophobicContact CG-CG 4.17Å |
| 805 | L | 46.6 | Very low | 56.9 | Low | 155 Ų | 155 | 115.4 Ų | 115.4 | 81% | 0.812 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -56.1 | -14.1 | 158.7 | -88.9 | 169.9 | 0 | 0 | 0 | 112 | ||
| 806 | A | 52.4 | Low | 56.9 | Low | 85 Ų | 85 | 117.4 Ų | 117.4 | 70% | 0.702 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -86.3 | -10.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | E804 | E804-A806 PolarHBondContact O-N 3.44Š|
| 807 | K | 53.4 | Low | 57.2 | Low | 157 Ų | 157 | 117.6 Ų | 117.6 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | -10.8 | -166.2 | -88.5 | 179.6 | -176.4 | 173.2 | 0 | 119.8 | E804 G809 | E804-K807 PolarHBondContact O-N 3.29Å; E804-K807 WeakPolarHBondContact OE1-CB 3.28Å; K807-G809 VanDerWaalsContact C-N 3.33Å; K807-G809 PolarHBondContact O-N 3.14Å |
| 808 | Q | 42.2 | Very low | 58.1 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 64% | 0.64 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 1.9 | -171.6 | -66.6 | -173.3 | -6.4 | 0 | 0 | 117.1 | E804 S810 | E804-Q808 HydrophobicContact CG-CG 4.17Å; Q808-S810 PolarHBondContact O-N 2.79Å |
| 809 | G | 50.5 | Low | 58.9 | Low | 81 Ų | 81 | 117.1 Ų | 117.1 | 84% | 0.835 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -24.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | K807 | K807-G809 VanDerWaalsContact C-N 3.33Å; K807-G809 PolarHBondContact O-N 3.14Å |
| 810 | S | 54.4 | Low | 59.7 | Low | 112 Ų | 112 | 114 Ų | 114 | 78% | 0.783 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -10.3 | -167.3 | 74.1 | 0 | 0 | 0 | 0 | 116.9 | Q808 | Q808-S810 PolarHBondContact O-N 2.79Š|
| 811 | A | 55.9 | Low | 61 | Low | 64 Ų | 64 | 114 Ų | 114 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -28.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | A813 Q814 | A811-A813 VanDerWaalsContact C-N 3.3Å; A811-A813 PolarHBondContact O-N 3.32Å; A811-Q814 PolarHBondContact O-N 2.96Å |
| 812 | L | 63.9 | Low | 63 | Low | 135 Ų | 135 | 111.6 Ų | 111.6 | 71% | 0.707 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.3 | -19.3 | -169.2 | -72.8 | 166.9 | 0 | 0 | 0 | 115.1 | ||
| 813 | A | 59 | Low | 64.8 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.4 | -28.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A811 | A811-A813 VanDerWaalsContact C-N 3.3Å; A811-A813 PolarHBondContact O-N 3.32Å |
| 814 | Q | 67.9 | Low | 66.6 | Low | 167 Ų | 167 | 112.8 Ų | 112.8 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -83.4 | -32.3 | -175.2 | -166.9 | 173.1 | 2.5 | 0 | 0 | 112.7 | A811 R816 | A811-Q814 PolarHBondContact O-N 2.96Å; Q814-R816 VanDerWaalsContact C-N 3.32Å; Q814-R816 PolarHBondContact O-N 2.95Å |
| 815 | D | 73.9 | Confident | 68.3 | Low | 96 Ų | 96 | 111.6 Ų | 111.6 | 51% | 0.513 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.2 | -30.2 | -179.6 | -73.3 | -27.7 | 0 | 0 | 0 | 112.8 | R818 L819 | D815-R818 PolarHBondContact O-N 2.87Å; D815-L819 PolarHBondContact O-N 3.49Å |
| 816 | R | 74.3 | Confident | 70.3 | Confident | 174 Ų | 174 | 109.8 Ų | 109.8 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.9 | -49.1 | -179.9 | -177.8 | 175.7 | 174 | 165.8 | 0.6 | 112.7 | Q814 R818 L819 E820 | Q814-R816 VanDerWaalsContact C-N 3.32Å; Q814-R816 PolarHBondContact O-N 2.95Å; R816-R818 VanDerWaalsContact C-N 3.26Å; R816-R818 PolarHBondContact O-N 2.95Å; R816-L819 PolarHBondContact O-N 3.39Å; R816-E820 IonicContact CZ-OE1 3.84Å; R816-E820 IonicContact NE-OE1 3.02Å; R816-E820 PolarHBondContact NE-OE1 2.93Å; R816-E820 IonicContact NH2-OE1 3.73Å; R816-E820 PolarHBondContact O-N 3.28Å |
| 817 | G | 74.7 | Confident | 72.1 | Confident | 45 Ų | 45 | 111.6 Ų | 111.6 | 46% | 0.464 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.3 | -29.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A821 | G817-A821 PolarHBondContact O-N 3.39Å |
| 818 | R | 77.3 | Confident | 73.9 | Confident | 182 Ų | 182 | 110.1 Ų | 110.1 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.4 | -29 | 179.3 | -160.6 | 179.1 | 179.4 | -169.5 | 0.4 | 112.7 | D815 R816 | D815-R818 PolarHBondContact O-N 2.87Å; R816-R818 VanDerWaalsContact C-N 3.26Å; R816-R818 PolarHBondContact O-N 2.95Å |
| 819 | L | 81.2 | Confident | 76.2 | Confident | 107 Ų | 107 | 109.7 Ų | 109.7 | 56% | 0.56 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77 | -39.5 | 176.6 | -69.1 | 173.3 | 0 | 0 | 0 | 111.6 | D815 R816 A821 K822 I823 | D815-L819 PolarHBondContact O-N 3.49Å; R816-L819 PolarHBondContact O-N 3.39Å; L819-A821 PolarHBondContact O-N 2.95Å; L819-K822 PolarHBondContact O-N 3.35Å; L819-K822 VanDerWaalsContact O-N 3.16Å; L819-I823 WeakPolarHBondContact O-CG1 3.38Å; L819-I823 PolarHBondContact O-N 3.44Å; L819-I823 VanDerWaalsContact O-N 3.16Å |
| 820 | E | 80.1 | Confident | 78.1 | Confident | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.6 | -43 | 178.2 | -71.2 | 171.3 | -179 | 0 | 0 | 111.6 | R816 K822 I823 E824 | R816-E820 IonicContact CZ-OE1 3.84Å; R816-E820 IonicContact NE-OE1 3.02Å; R816-E820 PolarHBondContact NE-OE1 2.93Å; R816-E820 IonicContact NH2-OE1 3.73Å; R816-E820 PolarHBondContact O-N 3.28Å; E820-K822 VanDerWaalsContact C-N 3.34Å; E820-K822 PolarHBondContact O-N 3.45Å; E820-I823 PolarHBondContact O-N 2.92Å; E820-E824 PolarHBondContact O-N 3Å |
| 821 | A | 81.3 | Confident | 79.9 | Confident | 62 Ų | 62 | 107.5 Ų | 107.5 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.9 | -30.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G817 L819 A825 | G817-A821 PolarHBondContact O-N 3.39Å; L819-A821 PolarHBondContact O-N 2.95Å; A821-A825 PolarHBondContact O-N 2.88Å |
| 822 | K | 86.7 | Confident | 81.5 | Confident | 122 Ų | 122 | 106.6 Ų | 106.6 | 53% | 0.53 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72 | -36.6 | 176.2 | -79 | -175.3 | 177.2 | -176.5 | 0 | 111.9 | L819 E820 A825 Q826 | L819-K822 PolarHBondContact O-N 3.35Å; L819-K822 VanDerWaalsContact O-N 3.16Å; E820-K822 VanDerWaalsContact C-N 3.34Å; E820-K822 PolarHBondContact O-N 3.45Å; K822-A825 PolarHBondContact O-N 3.09Å; K822-Q826 WeakPolarHBondContact O-CG 3.25Å; K822-Q826 PolarHBondContact O-N 3.34Å |
| 823 | I | 86.9 | Confident | 82.8 | Confident | 87 Ų | 87 | 105.4 Ų | 105.4 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.4 | -47.5 | 177.8 | -68.2 | 167.6 | 0 | 0 | 0 | 109.4 | L819 E820 A825 Q826 E827 | L819-I823 WeakPolarHBondContact O-CG1 3.38Å; L819-I823 PolarHBondContact O-N 3.44Å; L819-I823 VanDerWaalsContact O-N 3.16Å; E820-I823 PolarHBondContact O-N 2.92Å; I823-A825 PolarHBondContact O-N 2.99Å; I823-Q826 PolarHBondContact O-N 3.45Å; I823-E827 HydrophobicContact CG2-CG 4.35Å; I823-E827 WeakPolarHBondContact O-CG 3.41Å; I823-E827 PolarHBondContact O-N 3.3Å |
| 824 | E | 87.4 | Confident | 84.4 | Confident | 128 Ų | 128 | 108 Ų | 108 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -41.4 | 178.8 | -171.1 | 177.5 | -170.5 | 0 | 0 | 112.5 | E820 Q826 E827 L828 | E820-E824 PolarHBondContact O-N 3Å; E824-Q826 PolarHBondContact O-N 3.06Å; E824-E827 PolarHBondContact O-N 3.07Å; E824-L828 PolarHBondContact O-N 3.11Å |
| 825 | A | 84.9 | Confident | 85.6 | Confident | 58 Ų | 58 | 106.7 Ų | 106.7 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A821 K822 I823 L828 E829 | A821-A825 PolarHBondContact O-N 2.88Å; K822-A825 PolarHBondContact O-N 3.09Å; I823-A825 PolarHBondContact O-N 2.99Å; A825-L828 PolarHBondContact O-N 3.32Å; A825-E829 PolarHBondContact O-N 2.89Å |
| 826 | Q | 89 | Confident | 86.4 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 177.5 | -72.8 | -179.4 | -37.1 | 0 | 0 | 112.1 | K822 I823 E824 L828 E829 I830 | K822-Q826 WeakPolarHBondContact O-CG 3.25Å; K822-Q826 PolarHBondContact O-N 3.34Å; I823-Q826 PolarHBondContact O-N 3.45Å; E824-Q826 PolarHBondContact O-N 3.06Å; Q826-L828 VanDerWaalsContact C-N 3.34Å; Q826-L828 PolarHBondContact O-N 3.26Å; Q826-E829 PolarHBondContact O-N 2.96Å; Q826-I830 WeakPolarHBondContact O-CB 3.49Å; Q826-I830 VanDerWaalsContact O-CG1 3.24Å; Q826-I830 WeakPolarHBondContact O-CG1 3.3Å; Q826-I830 PolarHBondContact O-N 3.29Å |
| 827 | E | 90.4 | Very high | 87.3 | Confident | 123 Ų | 123 | 102.9 Ų | 102.9 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 175.6 | -74.8 | 177.4 | 168.3 | 0 | 0 | 112 | I823 E824 A831 | I823-E827 HydrophobicContact CG2-CG 4.35Å; I823-E827 WeakPolarHBondContact O-CG 3.41Å; I823-E827 PolarHBondContact O-N 3.3Å; E824-E827 PolarHBondContact O-N 3.07Å; E827-A831 PolarHBondContact O-N 3.32Å; E827-A831 VanDerWaalsContact O-N 3.08Å |
| 828 | L | 89.2 | Confident | 88.2 | Confident | 126 Ų | 126 | 106.6 Ų | 106.6 | 66% | 0.66 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.8 | -41.1 | 174.6 | -73.3 | 171.3 | 0 | 0 | 0 | 112.7 | E824 A825 Q826 A831 G832 | E824-L828 PolarHBondContact O-N 3.11Å; A825-L828 PolarHBondContact O-N 3.32Å; Q826-L828 VanDerWaalsContact C-N 3.34Å; Q826-L828 PolarHBondContact O-N 3.26Å; L828-A831 PolarHBondContact O-N 2.96Å; L828-G832 PolarHBondContact O-N 3.43Å; L828-G832 VanDerWaalsContact O-N 3.1Å |
| 829 | E | 92.3 | Very high | 89 | Confident | 129 Ų | 129 | 102.5 Ų | 102.5 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 176.7 | -173.1 | 177.7 | -171.9 | 0 | 0 | 111.7 | A825 Q826 A831 G832 L833 | A825-E829 PolarHBondContact O-N 2.89Å; Q826-E829 PolarHBondContact O-N 2.96Å; E829-A831 VanDerWaalsContact C-N 3.28Å; E829-A831 PolarHBondContact O-N 2.89Å; E829-G832 PolarHBondContact O-N 3.42Å; E829-G832 VanDerWaalsContact O-N 3.13Å; E829-L833 HydrophobicContact CG-CD1 4.28Å; E829-L833 WeakPolarHBondContact O-CG 3.43Å; E829-L833 PolarHBondContact O-N 2.95Å |
| 830 | I | 90.2 | Very high | 89.5 | Confident | 88 Ų | 88 | 102.7 Ų | 102.7 | 45% | 0.451 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 175.8 | -70.7 | 166.9 | 0 | 0 | 0 | 110.8 | Q826 K834 | Q826-I830 WeakPolarHBondContact O-CB 3.49Å; Q826-I830 VanDerWaalsContact O-CG1 3.24Å; Q826-I830 WeakPolarHBondContact O-CG1 3.3Å; Q826-I830 PolarHBondContact O-N 3.29Å; I830-K834 HydrophobicContact CG2-CD 4.21Å; I830-K834 WeakPolarHBondContact O-CB 3.37Å; I830-K834 WeakPolarHBondContact O-CG 3.43Å; I830-K834 PolarHBondContact O-N 2.91Å |
| 831 | A | 90.6 | Very high | 90.1 | Very high | 58 Ų | 58 | 101.8 Ų | 101.8 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E827 L828 E829 K835 | E827-A831 PolarHBondContact O-N 3.32Å; E827-A831 VanDerWaalsContact O-N 3.08Å; L828-A831 PolarHBondContact O-N 2.96Å; E829-A831 VanDerWaalsContact C-N 3.28Å; E829-A831 PolarHBondContact O-N 2.89Å; A831-K835 PolarHBondContact O-N 3.21Å |
| 832 | G | 90.9 | Very high | 90.7 | Very high | 45 Ų | 45 | 102.1 Ų | 102.1 | 46% | 0.464 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L828 E829 K834 K835 S836 | L828-G832 PolarHBondContact O-N 3.43Å; L828-G832 VanDerWaalsContact O-N 3.1Å; E829-G832 PolarHBondContact O-N 3.42Å; E829-G832 VanDerWaalsContact O-N 3.13Å; G832-K834 PolarHBondContact O-N 3.26Å; G832-K835 PolarHBondContact O-N 2.95Å; G832-S836 PolarHBondContact O-N 3.16Å |
| 833 | L | 90.8 | Very high | 91 | Very high | 110 Ų | 110 | 98 Ų | 98 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -38.6 | 178.4 | -71.2 | 173.7 | 0 | 0 | 0 | 112.3 | E829 K835 S836 L837 | E829-L833 HydrophobicContact CG-CD1 4.28Å; E829-L833 WeakPolarHBondContact O-CG 3.43Å; E829-L833 PolarHBondContact O-N 2.95Å; L833-K835 PolarHBondContact O-N 2.84Å; L833-S836 PolarHBondContact O-N 3.15Å; L833-L837 WeakPolarHBondContact O-CB 3.47Å; L833-L837 PolarHBondContact O-N 3.44Å |
| 834 | K | 92.8 | Very high | 91.3 | Very high | 142 Ų | 142 | 98 Ų | 98 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 174.8 | -78.5 | 176.6 | 178.8 | 178.2 | 0 | 112.3 | I830 G832 L837 E838 | I830-K834 HydrophobicContact CG2-CD 4.21Å; I830-K834 WeakPolarHBondContact O-CB 3.37Å; I830-K834 WeakPolarHBondContact O-CG 3.43Å; I830-K834 PolarHBondContact O-N 2.91Å; G832-K834 PolarHBondContact O-N 3.26Å; K834-L837 PolarHBondContact O-N 3.37Å; K834-E838 PolarHBondContact O-N 2.81Å |
| 835 | K | 92.8 | Very high | 91.6 | Very high | 140 Ų | 140 | 97.3 Ų | 97.3 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 176.8 | -172.3 | 176.9 | -178.1 | 178.9 | 0 | 112.1 | A831 G832 L833 E838 N839 | A831-K835 PolarHBondContact O-N 3.21Å; G832-K835 PolarHBondContact O-N 2.95Å; L833-K835 PolarHBondContact O-N 2.84Å; K835-E838 PolarHBondContact O-N 3.4Å; K835-N839 PolarHBondContact O-N 3.32Å; K835-N839 VanDerWaalsContact O-N 3.16Å |
| 836 | S | 91.3 | Very high | 92 | Very high | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.2 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | G832 L833 E838 N839 E840 | G832-S836 PolarHBondContact O-N 3.16Å; L833-S836 PolarHBondContact O-N 3.15Å; S836-E838 VanDerWaalsContact C-N 3.34Å; S836-E838 PolarHBondContact O-N 3.45Å; S836-N839 PolarHBondContact O-N 2.76Å; S836-E840 PolarHBondContact O-N 2.81Å |
| 837 | L | 93 | Very high | 92.2 | Very high | 124 Ų | 124 | 100.6 Ų | 100.6 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 176.2 | -178.7 | 64.5 | 0 | 0 | 0 | 112.6 | L833 K834 E840 N841 | L833-L837 WeakPolarHBondContact O-CB 3.47Å; L833-L837 PolarHBondContact O-N 3.44Å; K834-L837 PolarHBondContact O-N 3.37Å; L837-E840 PolarHBondContact O-N 3.42Å; L837-N841 WeakPolarHBondContact O-CB 3.45Å; L837-N841 PolarHBondContact O-N 2.89Å |
| 838 | E | 93.8 | Very high | 92.3 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 175.5 | -173.2 | 172.8 | -161.2 | 0 | 0 | 111.8 | K834 K835 S836 E840 N841 D842 | K834-E838 PolarHBondContact O-N 2.81Å; K835-E838 PolarHBondContact O-N 3.4Å; S836-E838 VanDerWaalsContact C-N 3.34Å; S836-E838 PolarHBondContact O-N 3.45Å; E838-E840 PolarHBondContact O-N 2.78Å; E838-N841 WeakPolarHBondContact O-CB 3.3Å; E838-N841 PolarHBondContact O-N 3.38Å; E838-D842 PolarHBondContact O-N 3.41Å |
| 839 | N | 93.2 | Very high | 92.6 | Very high | 97 Ų | 97 | 98 Ų | 98 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.3 | -68.7 | -17.4 | 0 | 0 | 0 | 112.5 | K835 S836 N841 D842 S843 | K835-N839 PolarHBondContact O-N 3.32Å; K835-N839 VanDerWaalsContact O-N 3.16Å; S836-N839 PolarHBondContact O-N 2.76Å; N839-N841 VanDerWaalsContact C-N 3.34Å; N839-D842 PolarHBondContact O-N 2.91Å; N839-S843 PolarHBondContact O-N 3.41Å |
| 840 | E | 92.1 | Very high | 92.7 | Very high | 110 Ų | 110 | 95.1 Ų | 95.1 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 176.2 | -75.4 | -57.8 | 140.1 | 0 | 0 | 111.9 | S836 L837 E838 D842 S843 V844 | S836-E840 PolarHBondContact O-N 2.81Å; L837-E840 PolarHBondContact O-N 3.42Å; E838-E840 PolarHBondContact O-N 2.78Å; E840-D842 VanDerWaalsContact C-N 3.35Å; E840-D842 PolarHBondContact O-N 3.48Å; E840-S843 WeakPolarHBondContact O-CB 3.33Å; E840-S843 PolarHBondContact O-N 3.2Å; E840-V844 WeakPolarHBondContact O-CG2 3.34Å; E840-V844 PolarHBondContact O-N 3.4Å |
| 841 | N | 93.7 | Very high | 92.8 | Very high | 83 Ų | 83 | 95.4 Ų | 95.4 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.6 | -171.5 | 42.4 | 0 | 0 | 0 | 112 | L837 E838 N839 V844 K845 | L837-N841 WeakPolarHBondContact O-CB 3.45Å; L837-N841 PolarHBondContact O-N 2.89Å; E838-N841 WeakPolarHBondContact O-CB 3.3Å; E838-N841 PolarHBondContact O-N 3.38Å; N839-N841 VanDerWaalsContact C-N 3.34Å; N841-V844 PolarHBondContact O-N 2.94Å; N841-K845 WeakPolarHBondContact ND2-CE 3.31Å; N841-K845 PolarHBondContact ND2-NZ 2.95Å; N841-K845 WeakPolarHBondContact O-CG 3.39Å; N841-K845 PolarHBondContact O-N 3.43Å |
| 842 | D | 93.4 | Very high | 92.9 | Very high | 69 Ų | 69 | 97.3 Ų | 97.3 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.4 | -37 | 175.4 | -73.4 | -15.4 | 0 | 0 | 0 | 112.4 | E838 N839 E840 V844 K845 I846 | E838-D842 PolarHBondContact O-N 3.41Å; N839-D842 PolarHBondContact O-N 2.91Å; E840-D842 VanDerWaalsContact C-N 3.35Å; E840-D842 PolarHBondContact O-N 3.48Å; D842-V844 VanDerWaalsContact C-N 3.33Å; D842-V844 PolarHBondContact O-N 3.45Å; D842-K845 PolarHBondContact O-N 2.86Å; D842-K845 IonicContact OD1-NZ 2.79Å; D842-K845 PolarHBondContact OD1-NZ 2.97Å; D842-I846 WeakPolarHBondContact O-CG1 3.46Å; D842-I846 PolarHBondContact O-N 3.11Å |
| 843 | S | 93.1 | Very high | 93.1 | Very high | 37 Ų | 37 | 99 Ų | 99 | 26% | 0.259 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.6 | -44.2 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | N839 E840 I846 K847 | N839-S843 PolarHBondContact O-N 3.41Å; E840-S843 WeakPolarHBondContact O-CB 3.33Å; E840-S843 PolarHBondContact O-N 3.2Å; S843-I846 PolarHBondContact O-N 3.2Å; S843-K847 WeakPolarHBondContact O-CG 3.47Å; S843-K847 PolarHBondContact O-N 3.16Å |
| 844 | V | 92.6 | Very high | 93.2 | Very high | 86 Ų | 86 | 99.2 Ų | 99.2 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | E840 N841 D842 I846 K847 S848 | E840-V844 WeakPolarHBondContact O-CG2 3.34Å; E840-V844 PolarHBondContact O-N 3.4Å; N841-V844 PolarHBondContact O-N 2.94Å; D842-V844 VanDerWaalsContact C-N 3.33Å; D842-V844 PolarHBondContact O-N 3.45Å; V844-I846 PolarHBondContact O-N 3.03Å; V844-K847 PolarHBondContact O-N 3.32Å; V844-S848 WeakPolarHBondContact O-CB 3.33Å; V844-S848 PolarHBondContact O-N 3.44Å |
| 845 | K | 94.5 | Very high | 93.1 | Very high | 113 Ų | 113 | 95.7 Ų | 95.7 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.2 | -70.5 | 172 | -160 | 155.5 | 0 | 112.4 | N841 D842 S848 K849 | N841-K845 WeakPolarHBondContact ND2-CE 3.31Å; N841-K845 PolarHBondContact ND2-NZ 2.95Å; N841-K845 WeakPolarHBondContact O-CG 3.39Å; N841-K845 PolarHBondContact O-N 3.43Å; D842-K845 PolarHBondContact O-N 2.86Å; D842-K845 IonicContact OD1-NZ 2.79Å; D842-K845 PolarHBondContact OD1-NZ 2.97Å; K845-S848 PolarHBondContact O-N 3.49Å; K845-K849 PolarHBondContact O-N 3.44Å |
| 846 | I | 92.2 | Very high | 93.2 | Very high | 116 Ų | 116 | 94.6 Ų | 94.6 | 60% | 0.595 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -47.5 | 177.4 | -66.5 | 167 | 0 | 0 | 0 | 109.9 | D842 S843 V844 S848 K849 V850 | D842-I846 WeakPolarHBondContact O-CG1 3.46Å; D842-I846 PolarHBondContact O-N 3.11Å; S843-I846 PolarHBondContact O-N 3.2Å; V844-I846 PolarHBondContact O-N 3.03Å; I846-S848 VanDerWaalsContact C-N 3.35Å; I846-S848 PolarHBondContact O-N 3.3Å; I846-K849 PolarHBondContact O-N 3Å; I846-V850 WeakPolarHBondContact O-CG2 3.32Å; I846-V850 PolarHBondContact O-N 3.41Å |
| 847 | K | 93.2 | Very high | 93.1 | Very high | 128 Ų | 128 | 95.3 Ų | 95.3 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 177.3 | -71 | 173.6 | -174.6 | 174.7 | 0 | 112.1 | S843 V844 K849 V850 I851 | S843-K847 WeakPolarHBondContact O-CG 3.47Å; S843-K847 PolarHBondContact O-N 3.16Å; V844-K847 PolarHBondContact O-N 3.32Å; K847-K849 PolarHBondContact O-N 2.92Å; K847-V850 PolarHBondContact O-N 3.29Å; K847-I851 WeakPolarHBondContact O-CG1 3.48Å; K847-I851 PolarHBondContact O-N 3.25Å |
| 848 | S | 93.1 | Very high | 93.1 | Very high | 60 Ų | 60 | 94.8 Ų | 94.8 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 175.4 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | V844 K845 I846 V850 I851 D852 | V844-S848 WeakPolarHBondContact O-CB 3.33Å; V844-S848 PolarHBondContact O-N 3.44Å; K845-S848 PolarHBondContact O-N 3.49Å; I846-S848 VanDerWaalsContact C-N 3.35Å; I846-S848 PolarHBondContact O-N 3.3Å; S848-V850 PolarHBondContact O-N 2.86Å; S848-I851 PolarHBondContact O-N 2.8Å; S848-D852 PolarHBondContact O-N 3.02Å |
| 849 | K | 95.6 | Very high | 93 | Very high | 136 Ų | 136 | 94.1 Ų | 94.1 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 177.9 | -170.7 | -176.7 | 176.6 | -165.9 | 0 | 112.2 | K845 I846 K847 I851 D852 D853 | K845-K849 PolarHBondContact O-N 3.44Å; I846-K849 PolarHBondContact O-N 3Å; K847-K849 PolarHBondContact O-N 2.92Å; K849-I851 VanDerWaalsContact C-N 3.31Å; K849-I851 PolarHBondContact O-N 3.37Å; K849-D852 PolarHBondContact O-N 2.58Å; K849-D853 VanDerWaalsContact O-CG 3.32Å; K849-D853 PolarHBondContact O-N 2.84Å |
| 850 | V | 93.5 | Very high | 92.9 | Very high | 67 Ų | 67 | 94.1 Ų | 94.1 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | I846 K847 S848 Q854 | I846-V850 WeakPolarHBondContact O-CG2 3.32Å; I846-V850 PolarHBondContact O-N 3.41Å; K847-V850 PolarHBondContact O-N 3.29Å; S848-V850 PolarHBondContact O-N 2.86Å; V850-Q854 HydrophobicContact CG1-CG 4.47Å; V850-Q854 WeakPolarHBondContact O-CB 3.49Å; V850-Q854 VanDerWaalsContact O-CG 3.23Å; V850-Q854 WeakPolarHBondContact O-CG 3.42Å; V850-Q854 PolarHBondContact O-N 2.93Å |
| 851 | I | 93.4 | Very high | 92.8 | Very high | 95 Ų | 95 | 93.8 Ų | 93.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 175.8 | -69.5 | 166.1 | 0 | 0 | 0 | 110.9 | K847 S848 K849 Q854 T855 | K847-I851 WeakPolarHBondContact O-CG1 3.48Å; K847-I851 PolarHBondContact O-N 3.25Å; S848-I851 PolarHBondContact O-N 2.8Å; K849-I851 VanDerWaalsContact C-N 3.31Å; K849-I851 PolarHBondContact O-N 3.37Å; I851-Q854 PolarHBondContact O-N 3.46Å; I851-T855 WeakPolarHBondContact O-CB 3.4Å; I851-T855 PolarHBondContact O-N 2.87Å; I851-T855 PolarHBondContact O-OG1 2.89Å |
| 852 | D | 93 | Very high | 92.7 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 177.3 | -65.8 | -28.7 | 0 | 0 | 0 | 111.1 | S848 K849 Q854 T855 E856 | S848-D852 PolarHBondContact O-N 3.02Å; K849-D852 PolarHBondContact O-N 2.58Å; D852-Q854 VanDerWaalsContact C-N 3.33Å; D852-Q854 PolarHBondContact O-N 3.46Å; D852-T855 WeakPolarHBondContact O-CB 3.42Å; D852-T855 PolarHBondContact O-N 2.73Å; D852-T855 VanDerWaalsContact O-N 3.16Å; D852-E856 PolarHBondContact O-N 3.02Å |
| 853 | D | 93.9 | Very high | 92.7 | Very high | 81 Ų | 81 | 99.4 Ų | 99.4 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.4 | -66.6 | -18.4 | 0 | 0 | 0 | 111.5 | K849 T857 | K849-D853 VanDerWaalsContact O-CG 3.32Å; K849-D853 PolarHBondContact O-N 2.84Å; D853-T857 PolarHBondContact O-N 2.83Å; D853-T857 PolarHBondContact O-OG1 2.67Å |
| 854 | Q | 92.3 | Very high | 92.6 | Very high | 114 Ų | 114 | 100.5 Ų | 100.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 174.9 | -75.9 | 177.4 | -13.1 | 0 | 0 | 112.1 | V850 I851 D852 T857 I858 | V850-Q854 HydrophobicContact CG1-CG 4.47Å; V850-Q854 WeakPolarHBondContact O-CB 3.49Å; V850-Q854 VanDerWaalsContact O-CG 3.23Å; V850-Q854 WeakPolarHBondContact O-CG 3.42Å; V850-Q854 PolarHBondContact O-N 2.93Å; I851-Q854 PolarHBondContact O-N 3.46Å; D852-Q854 VanDerWaalsContact C-N 3.33Å; D852-Q854 PolarHBondContact O-N 3.46Å; Q854-T857 PolarHBondContact O-N 3.31Å; Q854-I858 VanDerWaalsContact O-CG1 3.3Å; Q854-I858 WeakPolarHBondContact O-CG1 3.44Å; Q854-I858 PolarHBondContact O-N 3.47Å |
| 855 | T | 92.7 | Very high | 92.3 | Very high | 68 Ų | 68 | 101 Ų | 101 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | I851 D852 I858 L859 | I851-T855 WeakPolarHBondContact O-CB 3.4Å; I851-T855 PolarHBondContact O-N 2.87Å; I851-T855 PolarHBondContact O-OG1 2.89Å; D852-T855 WeakPolarHBondContact O-CB 3.42Å; D852-T855 PolarHBondContact O-N 2.73Å; D852-T855 VanDerWaalsContact O-N 3.16Å; T855-I858 PolarHBondContact O-N 3.31Å; T855-L859 HydrophobicContact CG2-CD1 4.39Å; T855-L859 WeakPolarHBondContact O-CG 3.43Å; T855-L859 PolarHBondContact O-N 2.83Å |
| 856 | E | 93.1 | Very high | 92.2 | Very high | 118 Ų | 118 | 101.4 Ų | 101.4 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 174.3 | -173.4 | 171.3 | -168 | 0 | 0 | 111.8 | D852 I858 L859 N860 | D852-E856 PolarHBondContact O-N 3.02Å; E856-I858 PolarHBondContact O-N 2.95Å; E856-L859 PolarHBondContact O-N 3.31Å; E856-N860 PolarHBondContact O-N 3.42Å; E856-N860 PolarHBondContact O-ND2 3.24Å |
| 857 | T | 91 | Very high | 92.2 | Very high | 81 Ų | 81 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | D853 Q854 N860 L861 | D853-T857 PolarHBondContact O-N 2.83Å; D853-T857 PolarHBondContact O-OG1 2.67Å; Q854-T857 PolarHBondContact O-N 3.31Å; T857-N860 PolarHBondContact O-N 2.81Å; T857-L861 HydrophobicContact CG2-CD1 4.26Å; T857-L861 WeakPolarHBondContact O-CG 3.38Å; T857-L861 PolarHBondContact O-N 3.46Å |
| 858 | I | 90.9 | Very high | 92.1 | Very high | 112 Ų | 112 | 98.9 Ų | 98.9 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -41.3 | 177.7 | -69.1 | 165.7 | 0 | 0 | 0 | 111.1 | Q854 T855 E856 L861 K862 | Q854-I858 VanDerWaalsContact O-CG1 3.3Å; Q854-I858 WeakPolarHBondContact O-CG1 3.44Å; Q854-I858 PolarHBondContact O-N 3.47Å; T855-I858 PolarHBondContact O-N 3.31Å; E856-I858 PolarHBondContact O-N 2.95Å; I858-L861 PolarHBondContact O-N 3.08Å; I858-K862 WeakPolarHBondContact O-CB 3.36Å; I858-K862 PolarHBondContact O-N 3.5Å |
| 859 | L | 92.5 | Very high | 91.8 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 176.9 | -74.9 | 170.4 | 0 | 0 | 0 | 111.9 | T855 E856 K862 K863 | T855-L859 HydrophobicContact CG2-CD1 4.39Å; T855-L859 WeakPolarHBondContact O-CG 3.43Å; T855-L859 PolarHBondContact O-N 2.83Å; E856-L859 PolarHBondContact O-N 3.31Å; L859-K862 PolarHBondContact O-N 3.26Å; L859-K863 PolarHBondContact O-N 3.46Å |
| 860 | N | 92 | Very high | 91.5 | Very high | 97 Ų | 97 | 98.9 Ų | 98.9 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.3 | -73.4 | -28.9 | 0 | 0 | 0 | 112.1 | E856 T857 K863 C864 | E856-N860 PolarHBondContact O-N 3.42Å; E856-N860 PolarHBondContact O-ND2 3.24Å; T857-N860 PolarHBondContact O-N 2.81Å; N860-K863 PolarHBondContact O-N 3.49Å; N860-C864 PolarHBondContact O-N 3.34Å |
| 861 | L | 89.8 | Confident | 91.4 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.9 | -71.6 | 172 | 0 | 0 | 0 | 111.9 | T857 I858 K863 C864 I865 | T857-L861 HydrophobicContact CG2-CD1 4.26Å; T857-L861 WeakPolarHBondContact O-CG 3.38Å; T857-L861 PolarHBondContact O-N 3.46Å; I858-L861 PolarHBondContact O-N 3.08Å; L861-K863 VanDerWaalsContact C-N 3.33Å; L861-K863 PolarHBondContact O-N 3.47Å; L861-C864 PolarHBondContact O-N 3.16Å; L861-I865 VanDerWaalsContact O-CG1 3.31Å; L861-I865 WeakPolarHBondContact O-CG1 3.5Å; L861-I865 PolarHBondContact O-N 3Å |
| 862 | K | 91.6 | Very high | 91.2 | Very high | 144 Ų | 144 | 99.3 Ų | 99.3 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 177.3 | -173 | 176.7 | 179.7 | -179.3 | 0 | 111.8 | I858 L859 I865 Q866 | I858-K862 WeakPolarHBondContact O-CB 3.36Å; I858-K862 PolarHBondContact O-N 3.5Å; L859-K862 PolarHBondContact O-N 3.26Å; K862-I865 PolarHBondContact O-N 2.96Å; K862-Q866 PolarHBondContact O-N 2.91Å |
| 863 | K | 92.3 | Very high | 91.1 | Very high | 126 Ų | 126 | 101.1 Ų | 101.1 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.2 | -174.8 | -177.7 | 173.9 | -170.8 | 0 | 111.6 | L859 N860 L861 I865 Q866 E867 | L859-K863 PolarHBondContact O-N 3.46Å; N860-K863 PolarHBondContact O-N 3.49Å; L861-K863 VanDerWaalsContact C-N 3.33Å; L861-K863 PolarHBondContact O-N 3.47Å; K863-I865 VanDerWaalsContact C-N 3.34Å; K863-I865 PolarHBondContact O-N 3.33Å; K863-Q866 WeakPolarHBondContact O-CB 3.3Å; K863-Q866 PolarHBondContact O-N 3.5Å; K863-Q866 VanDerWaalsContact O-N 3.14Å; K863-E867 WeakPolarHBondContact CE-OE1 3.44Å; K863-E867 WeakPolarHBondContact O-CG 3.44Å; K863-E867 PolarHBondContact O-N 3.27Å |
| 864 | C | 90.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 102.9 Ų | 102.9 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | N860 L861 Q866 E867 N868 | N860-C864 PolarHBondContact O-N 3.34Å; L861-C864 PolarHBondContact O-N 3.16Å; C864-Q866 VanDerWaalsContact C-N 3.33Å; C864-Q866 PolarHBondContact O-N 3.06Å; C864-E867 PolarHBondContact O-N 3.28Å; C864-N868 WeakPolarHBondContact O-CB 3.33Å; C864-N868 VanDerWaalsContact O-CG 3.3Å; C864-N868 PolarHBondContact O-N 2.93Å; C864-N868 PolarHBondContact O-ND2 2.93Å |
| 865 | I | 87.7 | Confident | 90.9 | Very high | 97 Ų | 97 | 101.1 Ų | 101.1 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.3 | -69.3 | 166.8 | 0 | 0 | 0 | 111.2 | L861 K862 K863 N868 Q869 | L861-I865 VanDerWaalsContact O-CG1 3.31Å; L861-I865 WeakPolarHBondContact O-CG1 3.5Å; L861-I865 PolarHBondContact O-N 3Å; K862-I865 PolarHBondContact O-N 2.96Å; K863-I865 VanDerWaalsContact C-N 3.34Å; K863-I865 PolarHBondContact O-N 3.33Å; I865-N868 PolarHBondContact O-N 3.42Å; I865-Q869 WeakPolarHBondContact O-CG 3.29Å; I865-Q869 PolarHBondContact O-N 2.92Å |
| 866 | Q | 92.3 | Very high | 90.8 | Very high | 122 Ų | 122 | 103 Ų | 103 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 178.7 | -172 | 174.9 | -6.8 | 0 | 0 | 111.9 | K862 K863 C864 Q869 T870 | K862-Q866 PolarHBondContact O-N 2.91Å; K863-Q866 WeakPolarHBondContact O-CB 3.3Å; K863-Q866 PolarHBondContact O-N 3.5Å; K863-Q866 VanDerWaalsContact O-N 3.14Å; C864-Q866 VanDerWaalsContact C-N 3.33Å; C864-Q866 PolarHBondContact O-N 3.06Å; Q866-Q869 PolarHBondContact O-N 3.4Å; Q866-T870 PolarHBondContact O-N 3.24Å; Q866-T870 PolarHBondContact O-OG1 2.68Å |
| 867 | E | 92.1 | Very high | 90.7 | Very high | 100 Ų | 100 | 102.6 Ų | 102.6 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.4 | -72 | 170.2 | 179.6 | 0 | 0 | 111.2 | K863 C864 Q869 T870 E871 | K863-E867 WeakPolarHBondContact CE-OE1 3.44Å; K863-E867 WeakPolarHBondContact O-CG 3.44Å; K863-E867 PolarHBondContact O-N 3.27Å; C864-E867 PolarHBondContact O-N 3.28Å; E867-Q869 VanDerWaalsContact C-N 3.35Å; E867-Q869 PolarHBondContact O-N 2.92Å; E867-T870 WeakPolarHBondContact CA-OG1 3.44Å; E867-T870 PolarHBondContact O-N 2.94Å; E867-T870 VanDerWaalsContact O-N 3.15Å; E867-T870 PolarHBondContact O-OG1 2.91Å; E867-E871 PolarHBondContact O-N 3.34Å |
| 868 | N | 91.4 | Very high | 90.8 | Very high | 91 Ų | 91 | 102.9 Ų | 102.9 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 175.3 | -71.5 | -21.4 | 0 | 0 | 0 | 112.3 | C864 I865 T870 E871 I872 | C864-N868 WeakPolarHBondContact O-CB 3.33Å; C864-N868 VanDerWaalsContact O-CG 3.3Å; C864-N868 PolarHBondContact O-N 2.93Å; C864-N868 PolarHBondContact O-ND2 2.93Å; I865-N868 PolarHBondContact O-N 3.42Å; N868-T870 VanDerWaalsContact C-N 3.32Å; N868-T870 PolarHBondContact O-N 2.95Å; N868-E871 PolarHBondContact O-N 3.39Å; N868-I872 VanDerWaalsContact O-CG1 3.25Å; N868-I872 WeakPolarHBondContact O-CG1 3.37Å; N868-I872 PolarHBondContact O-N 3.31Å |
| 869 | Q | 85.5 | Confident | 90.6 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 174.9 | -77.1 | 178.4 | 0.2 | 0 | 0 | 112.4 | I865 Q866 E867 K873 | I865-Q869 WeakPolarHBondContact O-CG 3.29Å; I865-Q869 PolarHBondContact O-N 2.92Å; Q866-Q869 PolarHBondContact O-N 3.4Å; E867-Q869 VanDerWaalsContact C-N 3.35Å; E867-Q869 PolarHBondContact O-N 2.92Å; Q869-K873 WeakPolarHBondContact O-CG 3.36Å; Q869-K873 PolarHBondContact O-N 2.79Å |
| 870 | T | 90.7 | Very high | 90.5 | Very high | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 174.6 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | Q866 E867 N868 K873 R874 | Q866-T870 PolarHBondContact O-N 3.24Å; Q866-T870 PolarHBondContact O-OG1 2.68Å; E867-T870 WeakPolarHBondContact CA-OG1 3.44Å; E867-T870 PolarHBondContact O-N 2.94Å; E867-T870 VanDerWaalsContact O-N 3.15Å; E867-T870 PolarHBondContact O-OG1 2.91Å; N868-T870 VanDerWaalsContact C-N 3.32Å; N868-T870 PolarHBondContact O-N 2.95Å; T870-K873 PolarHBondContact O-N 3.45Å; T870-R874 PolarHBondContact O-N 2.62Å |
| 871 | E | 90.7 | Very high | 90.4 | Very high | 80 Ų | 80 | 103 Ų | 103 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 178.4 | -172.6 | 59 | -165 | 0 | 0 | 112.1 | E867 N868 K873 R874 L875 | E867-E871 PolarHBondContact O-N 3.34Å; N868-E871 PolarHBondContact O-N 3.39Å; E871-K873 VanDerWaalsContact C-N 3.31Å; E871-K873 PolarHBondContact O-N 2.85Å; E871-R874 WeakPolarHBondContact O-CB 3.27Å; E871-R874 PolarHBondContact O-N 3.19Å; E871-R874 VanDerWaalsContact O-N 3.16Å; E871-R874 IonicContact OE1-CZ 3.83Å; E871-R874 VanDerWaalsContact OE1-CZ 3.31Å; E871-R874 IonicContact OE1-NE 3.06Å; E871-R874 PolarHBondContact OE1-NE 3.31Å; E871-R874 VanDerWaalsContact OE1-NE 3.09Å; E871-R874 IonicContact OE1-NH2 3.9Å; E871-R874 PolarHBondContact OE1-NH2 3.23Å; E871-R874 IonicContact OE2-CZ 2.61Å; E871-R874 IonicContact OE2-NE 3.01Å; E871-R874 PolarHBondContact OE2-NE 3.44Å; E871-L875 HydrophobicContact CG-CD1 4.29Å; E871-L875 WeakPolarHBondContact O-CG 3.38Å; E871-L875 PolarHBondContact O-N 3.48Å |
| 872 | I | 88.1 | Confident | 90.6 | Very high | 92 Ų | 92 | 101.4 Ų | 101.4 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 173.6 | -69.9 | 167.9 | 0 | 0 | 0 | 110.6 | N868 R874 L875 Q876 | N868-I872 VanDerWaalsContact O-CG1 3.25Å; N868-I872 WeakPolarHBondContact O-CG1 3.37Å; N868-I872 PolarHBondContact O-N 3.31Å; I872-R874 PolarHBondContact O-N 2.96Å; I872-L875 PolarHBondContact O-N 2.88Å; I872-Q876 HydrophobicContact CG2-CG 4.37Å; I872-Q876 WeakPolarHBondContact O-CB 3.46Å; I872-Q876 VanDerWaalsContact O-CG 3.24Å; I872-Q876 WeakPolarHBondContact O-CG 3.45Å; I872-Q876 PolarHBondContact O-N 2.82Å |
| 873 | K | 92.5 | Very high | 90.4 | Very high | 134 Ų | 134 | 101.6 Ų | 101.6 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 177.1 | -74.3 | 177.1 | -179.6 | 179.6 | 0 | 112.2 | Q869 T870 E871 Q876 N877 | Q869-K873 WeakPolarHBondContact O-CG 3.36Å; Q869-K873 PolarHBondContact O-N 2.79Å; T870-K873 PolarHBondContact O-N 3.45Å; E871-K873 VanDerWaalsContact C-N 3.31Å; E871-K873 PolarHBondContact O-N 2.85Å; K873-Q876 PolarHBondContact O-N 3.5Å; K873-N877 PolarHBondContact O-N 2.82Å |
| 874 | R | 93.6 | Very high | 90.4 | Very high | 119 Ų | 119 | 100.1 Ų | 100.1 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 175.7 | -168.6 | -170.8 | 73.5 | 73.2 | 0.9 | 110.8 | T870 E871 I872 Q876 N877 E878 | T870-R874 PolarHBondContact O-N 2.62Å; E871-R874 WeakPolarHBondContact O-CB 3.27Å; E871-R874 PolarHBondContact O-N 3.19Å; E871-R874 VanDerWaalsContact O-N 3.16Å; E871-R874 IonicContact OE1-CZ 3.83Å; E871-R874 VanDerWaalsContact OE1-CZ 3.31Å; E871-R874 IonicContact OE1-NE 3.06Å; E871-R874 PolarHBondContact OE1-NE 3.31Å; E871-R874 VanDerWaalsContact OE1-NE 3.09Å; E871-R874 IonicContact OE1-NH2 3.9Å; E871-R874 PolarHBondContact OE1-NH2 3.23Å; E871-R874 IonicContact OE2-CZ 2.61Å; E871-R874 IonicContact OE2-NE 3.01Å; E871-R874 PolarHBondContact OE2-NE 3.44Å; I872-R874 PolarHBondContact O-N 2.96Å; R874-Q876 VanDerWaalsContact C-N 3.35Å; R874-Q876 PolarHBondContact O-N 3.17Å; R874-N877 PolarHBondContact O-N 3.18Å; R874-E878 IonicContact CZ-OE2 3.26Å; R874-E878 IonicContact NH1-OE2 2.97Å; R874-E878 PolarHBondContact NH1-OE2 2.92Å; R874-E878 PolarHBondContact O-N 2.77Å |
| 875 | L | 88.3 | Confident | 90.4 | Very high | 77 Ų | 77 | 100.7 Ų | 100.7 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 178.9 | -68.6 | 172.4 | 0 | 0 | 0 | 112.5 | E871 I872 E878 N879 | E871-L875 HydrophobicContact CG-CD1 4.29Å; E871-L875 WeakPolarHBondContact O-CG 3.38Å; E871-L875 PolarHBondContact O-N 3.48Å; I872-L875 PolarHBondContact O-N 2.88Å; L875-E878 PolarHBondContact O-N 3.3Å; L875-N879 WeakPolarHBondContact O-CB 3.29Å; L875-N879 PolarHBondContact O-N 3Å |
| 876 | Q | 90.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 101.3 Ų | 101.3 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.3 | -78.3 | 174.4 | -18.4 | 0 | 0 | 112.1 | I872 K873 R874 N879 I880 | I872-Q876 HydrophobicContact CG2-CG 4.37Å; I872-Q876 WeakPolarHBondContact O-CB 3.46Å; I872-Q876 VanDerWaalsContact O-CG 3.24Å; I872-Q876 WeakPolarHBondContact O-CG 3.45Å; I872-Q876 PolarHBondContact O-N 2.82Å; K873-Q876 PolarHBondContact O-N 3.5Å; R874-Q876 VanDerWaalsContact C-N 3.35Å; R874-Q876 PolarHBondContact O-N 3.17Å; Q876-N879 PolarHBondContact O-N 2.85Å; Q876-I880 VanDerWaalsContact O-CG1 3.29Å; Q876-I880 WeakPolarHBondContact O-CG1 3.43Å; Q876-I880 PolarHBondContact O-N 3.27Å |
| 877 | N | 90.4 | Very high | 90.2 | Very high | 109 Ų | 109 | 99.7 Ų | 99.7 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 176.8 | -73.4 | -15.7 | 0 | 0 | 0 | 111.8 | K873 R874 I880 Q881 | K873-N877 PolarHBondContact O-N 2.82Å; R874-N877 PolarHBondContact O-N 3.18Å; N877-I880 PolarHBondContact O-N 3.34Å; N877-Q881 PolarHBondContact O-N 3.08Å |
| 878 | E | 92.8 | Very high | 90.2 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.3 | -168 | 174.4 | 167.5 | 0 | 0 | 111.6 | R874 L875 I880 Q881 N882 | R874-E878 IonicContact CZ-OE2 3.26Å; R874-E878 IonicContact NH1-OE2 2.97Å; R874-E878 PolarHBondContact NH1-OE2 2.92Å; R874-E878 PolarHBondContact O-N 2.77Å; L875-E878 PolarHBondContact O-N 3.3Å; E878-I880 PolarHBondContact O-N 2.82Å; E878-Q881 PolarHBondContact O-N 3.31Å; E878-N882 WeakPolarHBondContact O-CB 3.43Å; E878-N882 VanDerWaalsContact O-CG 3.26Å; E878-N882 PolarHBondContact O-N 3.1Å; E878-N882 PolarHBondContact O-ND2 3.1Å |
| 879 | N | 86 | Confident | 90.2 | Very high | 110 Ų | 110 | 99.2 Ų | 99.2 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 174.9 | -82 | -20.9 | 0 | 0 | 0 | 113 | L875 Q876 N882 R883 | L875-N879 WeakPolarHBondContact O-CB 3.29Å; L875-N879 PolarHBondContact O-N 3Å; Q876-N879 PolarHBondContact O-N 2.85Å; N879-N882 PolarHBondContact O-N 3.2Å; N879-R883 WeakPolarHBondContact O-CB 3.48Å; N879-R883 PolarHBondContact O-N 3.29Å |
| 880 | I | 91 | Very high | 90.3 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 175.5 | -69.6 | 164.8 | 0 | 0 | 0 | 110.4 | Q876 N877 E878 R883 H884 | Q876-I880 VanDerWaalsContact O-CG1 3.29Å; Q876-I880 WeakPolarHBondContact O-CG1 3.43Å; Q876-I880 PolarHBondContact O-N 3.27Å; N877-I880 PolarHBondContact O-N 3.34Å; E878-I880 PolarHBondContact O-N 2.82Å; I880-R883 PolarHBondContact O-N 3.3Å; I880-H884 PolarHBondContact O-N 2.9Å |
| 881 | Q | 90.5 | Very high | 90.3 | Very high | 118 Ų | 118 | 101.6 Ų | 101.6 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 177 | -165.9 | 80.1 | 12.3 | 0 | 0 | 111.4 | N877 E878 R883 H884 N885 | N877-Q881 PolarHBondContact O-N 3.08Å; E878-Q881 PolarHBondContact O-N 3.31Å; Q881-R883 PolarHBondContact O-N 3.02Å; Q881-H884 PolarHBondContact O-N 3.08Å; Q881-N885 PolarHBondContact O-N 3.48Å |
| 882 | N | 93.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 103.3 Ų | 103.3 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 178.4 | -72.2 | -18.4 | 0 | 0 | 0 | 111.9 | E878 N879 H884 N885 L886 | E878-N882 WeakPolarHBondContact O-CB 3.43Å; E878-N882 VanDerWaalsContact O-CG 3.26Å; E878-N882 PolarHBondContact O-N 3.1Å; E878-N882 PolarHBondContact O-ND2 3.1Å; N879-N882 PolarHBondContact O-N 3.2Å; N882-H884 PolarHBondContact O-N 3.35Å; N882-N885 PolarHBondContact O-N 3.36Å; N882-L886 WeakPolarHBondContact O-CG 3.39Å; N882-L886 PolarHBondContact O-N 2.99Å |
| 883 | R | 88.2 | Confident | 90.7 | Very high | 147 Ų | 147 | 104.5 Ų | 104.5 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 174.4 | -174.2 | 178.9 | 62.8 | -154.9 | -4.3 | 111.5 | N879 I880 Q881 N885 L886 E887 | N879-R883 WeakPolarHBondContact O-CB 3.48Å; N879-R883 PolarHBondContact O-N 3.29Å; I880-R883 PolarHBondContact O-N 3.3Å; Q881-R883 PolarHBondContact O-N 3.02Å; R883-N885 VanDerWaalsContact C-N 3.32Å; R883-N885 PolarHBondContact O-N 2.93Å; R883-L886 PolarHBondContact O-N 3.3Å; R883-E887 HydrophobicContact CG-CG 4.45Å; R883-E887 WeakPolarHBondContact CG-OE1 3.34Å; R883-E887 IonicContact NE-OE1 3.88Å; R883-E887 WeakPolarHBondContact O-CB 3.49Å; R883-E887 WeakPolarHBondContact O-CG 3.32Å; R883-E887 PolarHBondContact O-N 3.46Å |
| 884 | H | 92 | Very high | 90.6 | Very high | 95 Ų | 95 | 102.5 Ų | 102.5 | 44% | 0.44 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.2 | -172.5 | 59.2 | 0 | 0 | 0 | 112.2 | I880 Q881 N882 N888 | I880-H884 PolarHBondContact O-N 2.9Å; Q881-H884 PolarHBondContact O-N 3.08Å; N882-H884 PolarHBondContact O-N 3.35Å; H884-N888 PolarHBondContact CD2-ND2 2.98Å; H884-N888 PolarHBondContact NE2-ND2 3.44Å; H884-N888 VanDerWaalsContact NE2-ND2 3.16Å; H884-N888 WeakPolarHBondContact O-CB 3.44Å; H884-N888 VanDerWaalsContact O-CG 3.23Å; H884-N888 PolarHBondContact O-N 2.87Å; H884-N888 PolarHBondContact O-ND2 3.3Å |
| 885 | N | 91.5 | Very high | 90.6 | Very high | 71 Ų | 71 | 101.8 Ų | 101.8 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 175.5 | -71.3 | -18.8 | 0 | 0 | 0 | 112.3 | Q881 N882 R883 N888 Q889 | Q881-N885 PolarHBondContact O-N 3.48Å; N882-N885 PolarHBondContact O-N 3.36Å; R883-N885 VanDerWaalsContact C-N 3.32Å; R883-N885 PolarHBondContact O-N 2.93Å; N885-N888 PolarHBondContact O-N 3.25Å; N885-Q889 WeakPolarHBondContact O-CG 3.45Å; N885-Q889 PolarHBondContact O-N 2.91Å |
| 886 | L | 88.1 | Confident | 90.8 | Very high | 110 Ų | 110 | 101.3 Ų | 101.3 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 177.6 | -71.4 | 169.8 | 0 | 0 | 0 | 112.1 | N882 R883 N888 Q889 L890 | N882-L886 WeakPolarHBondContact O-CG 3.39Å; N882-L886 PolarHBondContact O-N 2.99Å; R883-L886 PolarHBondContact O-N 3.3Å; L886-N888 VanDerWaalsContact C-N 3.31Å; L886-N888 PolarHBondContact O-N 2.84Å; L886-Q889 PolarHBondContact O-N 3.48Å; L886-L890 WeakPolarHBondContact O-CB 3.47Å; L886-L890 PolarHBondContact O-N 2.84Å |
| 887 | E | 86.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 101.4 Ų | 101.4 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 174.5 | -77.8 | 173.5 | -169 | 0 | 0 | 111.9 | R883 L890 K891 | R883-E887 HydrophobicContact CG-CG 4.45Å; R883-E887 WeakPolarHBondContact CG-OE1 3.34Å; R883-E887 IonicContact NE-OE1 3.88Å; R883-E887 WeakPolarHBondContact O-CB 3.49Å; R883-E887 WeakPolarHBondContact O-CG 3.32Å; R883-E887 PolarHBondContact O-N 3.46Å; E887-L890 PolarHBondContact O-N 3.19Å; E887-K891 WeakPolarHBondContact O-CG 3.39Å; E887-K891 PolarHBondContact O-N 3.42Å |
| 888 | N | 92.6 | Very high | 90.8 | Very high | 67 Ų | 67 | 99.1 Ų | 99.1 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 176.5 | -70.6 | -23.8 | 0 | 0 | 0 | 111.9 | H884 N885 L886 K891 Q892 | H884-N888 PolarHBondContact CD2-ND2 2.98Å; H884-N888 PolarHBondContact NE2-ND2 3.44Å; H884-N888 VanDerWaalsContact NE2-ND2 3.16Å; H884-N888 WeakPolarHBondContact O-CB 3.44Å; H884-N888 VanDerWaalsContact O-CG 3.23Å; H884-N888 PolarHBondContact O-N 2.87Å; H884-N888 PolarHBondContact O-ND2 3.3Å; N885-N888 PolarHBondContact O-N 3.25Å; L886-N888 VanDerWaalsContact C-N 3.31Å; L886-N888 PolarHBondContact O-N 2.84Å; N888-K891 PolarHBondContact O-N 3.39Å; N888-Q892 PolarHBondContact O-N 2.97Å |
| 889 | Q | 92.1 | Very high | 90.8 | Very high | 115 Ų | 115 | 100 Ų | 100 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 173.8 | -72.3 | 178.1 | 17.6 | 0 | 0 | 111.9 | N885 L886 Q892 K893 | N885-Q889 WeakPolarHBondContact O-CG 3.45Å; N885-Q889 PolarHBondContact O-N 2.91Å; L886-Q889 PolarHBondContact O-N 3.48Å; Q889-Q892 PolarHBondContact O-N 2.92Å; Q889-K893 WeakPolarHBondContact O-CG 3.35Å; Q889-K893 PolarHBondContact O-N 2.76Å |
| 890 | L | 86.8 | Confident | 91.1 | Very high | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 176.8 | -177 | 63.8 | 0 | 0 | 0 | 111.2 | L886 E887 Q892 K893 I894 | L886-L890 WeakPolarHBondContact O-CB 3.47Å; L886-L890 PolarHBondContact O-N 2.84Å; E887-L890 PolarHBondContact O-N 3.19Å; L890-Q892 VanDerWaalsContact C-N 3.33Å; L890-Q892 PolarHBondContact O-N 2.91Å; L890-K893 PolarHBondContact O-N 3.09Å; L890-I894 HydrophobicContact CD1-CD1 4.38Å; L890-I894 HydrophobicContact CG-CD1 4Å; L890-I894 VanDerWaalsContact O-CG1 3.29Å; L890-I894 WeakPolarHBondContact O-CG1 3.32Å; L890-I894 PolarHBondContact O-N 3.2Å |
| 891 | K | 91.5 | Very high | 91.1 | Very high | 136 Ų | 136 | 99.2 Ų | 99.2 | 59% | 0.591 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59 | -43.1 | 174.4 | -76.6 | 176 | -178.3 | 175.2 | 0 | 112.2 | E887 N888 I894 Q895 | E887-K891 WeakPolarHBondContact O-CG 3.39Å; E887-K891 PolarHBondContact O-N 3.42Å; N888-K891 PolarHBondContact O-N 3.39Å; K891-I894 PolarHBondContact O-N 3.24Å; K891-Q895 PolarHBondContact O-N 3.09Å |
| 892 | Q | 92.4 | Very high | 91.2 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.3 | -174.3 | -177.3 | -7.5 | 0 | 0 | 111.4 | N888 Q889 L890 Q895 E896 | N888-Q892 PolarHBondContact O-N 2.97Å; Q889-Q892 PolarHBondContact O-N 2.92Å; L890-Q892 VanDerWaalsContact C-N 3.33Å; L890-Q892 PolarHBondContact O-N 2.91Å; Q892-Q895 PolarHBondContact O-N 3.25Å; Q892-E896 PolarHBondContact NE2-OE1 3.3Å; Q892-E896 VanDerWaalsContact NE2-OE1 3.11Å; Q892-E896 WeakPolarHBondContact O-CG 3.49Å; Q892-E896 PolarHBondContact O-N 2.77Å |
| 893 | K | 93.3 | Very high | 91.3 | Very high | 117 Ų | 117 | 97.5 Ų | 97.5 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 178.2 | -71.3 | -71.3 | 162.9 | -156.6 | 0 | 113.1 | Q889 L890 E896 N897 | Q889-K893 WeakPolarHBondContact O-CG 3.35Å; Q889-K893 PolarHBondContact O-N 2.76Å; L890-K893 PolarHBondContact O-N 3.09Å; K893-E896 IonicContact NZ-OE1 2.75Å; K893-E896 IonicContact NZ-OE2 2.9Å; K893-E896 PolarHBondContact NZ-OE2 3.48Å; K893-E896 PolarHBondContact O-N 3.05Å; K893-N897 WeakPolarHBondContact O-CB 3.29Å; K893-N897 PolarHBondContact O-N 2.86Å |
| 894 | I | 91.4 | Very high | 91.4 | Very high | 92 Ų | 92 | 95.1 Ų | 95.1 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 172.7 | -70.6 | 166.5 | 0 | 0 | 0 | 110 | L890 K891 N897 T898 | L890-I894 HydrophobicContact CD1-CD1 4.38Å; L890-I894 HydrophobicContact CG-CD1 4Å; L890-I894 VanDerWaalsContact O-CG1 3.29Å; L890-I894 WeakPolarHBondContact O-CG1 3.32Å; L890-I894 PolarHBondContact O-N 3.2Å; K891-I894 PolarHBondContact O-N 3.24Å; I894-N897 PolarHBondContact O-N 3.08Å; I894-T898 WeakPolarHBondContact O-CG2 3.47Å; I894-T898 PolarHBondContact O-N 3.38Å; I894-T898 PolarHBondContact O-OG1 3.26Å |
| 895 | Q | 93 | Very high | 91.4 | Very high | 104 Ų | 104 | 96 Ų | 96 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 177.2 | -177.5 | 61.5 | 32.7 | 0 | 0 | 111.9 | K891 Q892 N897 T898 E899 | K891-Q895 PolarHBondContact O-N 3.09Å; Q892-Q895 PolarHBondContact O-N 3.25Å; Q895-N897 VanDerWaalsContact C-N 3.31Å; Q895-N897 PolarHBondContact O-N 3.5Å; Q895-T898 WeakPolarHBondContact CA-OG1 3.41Å; Q895-T898 PolarHBondContact O-N 3.12Å; Q895-T898 VanDerWaalsContact O-N 3.16Å; Q895-T898 PolarHBondContact O-OG1 3.04Å; Q895-E899 PolarHBondContact NE2-OE1 2.93Å; Q895-E899 WeakPolarHBondContact O-CG 3.43Å; Q895-E899 PolarHBondContact O-N 3.28Å |
| 896 | E | 93.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 99.5 Ų | 99.5 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 175.6 | -73.4 | 171.6 | -166.2 | 0 | 0 | 111.7 | Q892 K893 E899 L900 | Q892-E896 PolarHBondContact NE2-OE1 3.3Å; Q892-E896 VanDerWaalsContact NE2-OE1 3.11Å; Q892-E896 WeakPolarHBondContact O-CG 3.49Å; Q892-E896 PolarHBondContact O-N 2.77Å; K893-E896 IonicContact NZ-OE1 2.75Å; K893-E896 IonicContact NZ-OE2 2.9Å; K893-E896 PolarHBondContact NZ-OE2 3.48Å; K893-E896 PolarHBondContact O-N 3.05Å; E896-E899 PolarHBondContact O-N 2.97Å; E896-L900 WeakPolarHBondContact O-CG 3.4Å; E896-L900 PolarHBondContact O-N 3.29Å |
| 897 | N | 87.8 | Confident | 91.7 | Very high | 109 Ų | 109 | 99 Ų | 99 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.3 | -38.2 | 176.4 | -85.3 | -7.2 | 0 | 0 | 0 | 112.8 | K893 I894 Q895 E899 L900 D901 | K893-N897 WeakPolarHBondContact O-CB 3.29Å; K893-N897 PolarHBondContact O-N 2.86Å; I894-N897 PolarHBondContact O-N 3.08Å; Q895-N897 VanDerWaalsContact C-N 3.31Å; Q895-N897 PolarHBondContact O-N 3.5Å; N897-E899 VanDerWaalsContact C-N 3.33Å; N897-L900 PolarHBondContact O-N 3.36Å; N897-D901 WeakPolarHBondContact O-CB 3.45Å; N897-D901 PolarHBondContact O-N 2.95Å |
| 898 | T | 92 | Very high | 92 | Very high | 62 Ų | 62 | 99 Ų | 99 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 175.8 | 54.3 | 0 | 0 | 0 | 0 | 112 | I894 Q895 D901 D902 | I894-T898 WeakPolarHBondContact O-CG2 3.47Å; I894-T898 PolarHBondContact O-N 3.38Å; I894-T898 PolarHBondContact O-OG1 3.26Å; Q895-T898 WeakPolarHBondContact CA-OG1 3.41Å; Q895-T898 PolarHBondContact O-N 3.12Å; Q895-T898 VanDerWaalsContact O-N 3.16Å; Q895-T898 PolarHBondContact O-OG1 3.04Å; T898-D901 PolarHBondContact O-N 2.87Å; T898-D902 PolarHBondContact O-N 3.49Å |
| 899 | E | 93.4 | Very high | 92 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176 | -71.3 | 171.8 | -165.5 | 0 | 0 | 112 | Q895 E896 N897 E903 | Q895-E899 PolarHBondContact NE2-OE1 2.93Å; Q895-E899 WeakPolarHBondContact O-CG 3.43Å; Q895-E899 PolarHBondContact O-N 3.28Å; E896-E899 PolarHBondContact O-N 2.97Å; N897-E899 VanDerWaalsContact C-N 3.33Å; E899-E903 PolarHBondContact O-N 3.44Å |
| 900 | L | 91.3 | Very high | 92.2 | Very high | 105 Ų | 105 | 105.1 Ų | 105.1 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 174.1 | -72.2 | 173 | 0 | 0 | 0 | 112.4 | E896 N897 D902 E903 I904 | E896-L900 WeakPolarHBondContact O-CG 3.4Å; E896-L900 PolarHBondContact O-N 3.29Å; N897-L900 PolarHBondContact O-N 3.36Å; L900-D902 VanDerWaalsContact C-N 3.33Å; L900-D902 PolarHBondContact O-N 3.45Å; L900-E903 PolarHBondContact O-N 3.49Å; L900-I904 VanDerWaalsContact O-CG1 3.31Å; L900-I904 WeakPolarHBondContact O-CG1 3.33Å; L900-I904 PolarHBondContact O-N 2.91Å |
| 901 | D | 92.1 | Very high | 92.5 | Very high | 78 Ų | 78 | 106.1 Ų | 106.1 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.4 | -173.8 | 58 | 0 | 0 | 0 | 111.5 | N897 T898 E903 I904 K905 | N897-D901 WeakPolarHBondContact O-CB 3.45Å; N897-D901 PolarHBondContact O-N 2.95Å; T898-D901 PolarHBondContact O-N 2.87Å; D901-E903 PolarHBondContact O-N 2.83Å; D901-I904 PolarHBondContact O-N 2.89Å; D901-K905 WeakPolarHBondContact O-CG 3.4Å; D901-K905 PolarHBondContact O-N 3.43Å; D901-K905 WeakPolarHBondContact OD2-CE 3.31Å; D901-K905 IonicContact OD2-NZ 2.68Å; D901-K905 PolarHBondContact OD2-NZ 2.84Å |
| 902 | D | 93.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 103.9 Ų | 103.9 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 174.2 | -75.6 | -14.8 | 0 | 0 | 0 | 112.7 | T898 L900 K905 R906 | T898-D902 PolarHBondContact O-N 3.49Å; L900-D902 VanDerWaalsContact C-N 3.33Å; L900-D902 PolarHBondContact O-N 3.45Å; D902-K905 PolarHBondContact O-N 3Å; D902-K905 IonicContact OD1-NZ 3.78Å; D902-K905 PolarHBondContact OD1-NZ 2.82Å; D902-R906 WeakPolarHBondContact O-CG 3.45Å; D902-R906 PolarHBondContact O-N 2.88Å |
| 903 | E | 94.2 | Very high | 92.6 | Very high | 79 Ų | 79 | 102.7 Ų | 102.7 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 172.5 | -172.2 | 58.6 | -157.8 | 0 | 0 | 111.9 | E899 L900 D901 K905 R906 L907 | E899-E903 PolarHBondContact O-N 3.44Å; L900-E903 PolarHBondContact O-N 3.49Å; D901-E903 PolarHBondContact O-N 2.83Å; E903-K905 VanDerWaalsContact C-N 3.35Å; E903-K905 PolarHBondContact O-N 3.2Å; E903-R906 WeakPolarHBondContact O-CB 3.36Å; E903-R906 PolarHBondContact O-N 3.29Å; E903-R906 IonicContact OE2-CZ 2.7Å; E903-R906 IonicContact OE2-NE 3.63Å; E903-R906 PolarHBondContact OE2-NE 3.31Å; E903-R906 IonicContact OE2-NH2 3.09Å; E903-R906 PolarHBondContact OE2-NH2 2.9Å; E903-L907 HydrophobicContact CG-CD1 4.22Å; E903-L907 WeakPolarHBondContact O-CG 3.2Å; E903-L907 PolarHBondContact O-N 2.88Å |
| 904 | I | 90.4 | Very high | 92.5 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 174.2 | -71.1 | 167.6 | 0 | 0 | 0 | 110.1 | L900 D901 R906 L907 V908 | L900-I904 VanDerWaalsContact O-CG1 3.31Å; L900-I904 WeakPolarHBondContact O-CG1 3.33Å; L900-I904 PolarHBondContact O-N 2.91Å; D901-I904 PolarHBondContact O-N 2.89Å; I904-R906 VanDerWaalsContact C-N 3.33Å; I904-R906 PolarHBondContact O-N 3.38Å; I904-L907 PolarHBondContact O-N 2.87Å; I904-V908 HydrophobicContact CG2-CG2 4.2Å; I904-V908 WeakPolarHBondContact O-CB 3.44Å; I904-V908 VanDerWaalsContact O-CG2 3.28Å; I904-V908 WeakPolarHBondContact O-CG2 3.34Å; I904-V908 PolarHBondContact O-N 3.41Å |
| 905 | K | 92.3 | Very high | 92.4 | Very high | 112 Ų | 112 | 101.8 Ų | 101.8 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 175.8 | -71.5 | 170.9 | -164 | 149.2 | 0 | 112 | D901 D902 E903 V908 K909 | D901-K905 WeakPolarHBondContact O-CG 3.4Å; D901-K905 PolarHBondContact O-N 3.43Å; D901-K905 WeakPolarHBondContact OD2-CE 3.31Å; D901-K905 IonicContact OD2-NZ 2.68Å; D901-K905 PolarHBondContact OD2-NZ 2.84Å; D902-K905 PolarHBondContact O-N 3Å; D902-K905 IonicContact OD1-NZ 3.78Å; D902-K905 PolarHBondContact OD1-NZ 2.82Å; E903-K905 VanDerWaalsContact C-N 3.35Å; E903-K905 PolarHBondContact O-N 3.2Å; K905-V908 PolarHBondContact O-N 3.11Å; K905-K909 PolarHBondContact O-N 3.37Å |
| 906 | R | 93.6 | Very high | 92.3 | Very high | 145 Ų | 145 | 102.1 Ų | 102.1 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.9 | -76.1 | -170.8 | -71.8 | -99.9 | 2.8 | 111.8 | D902 E903 I904 K909 R910 | D902-R906 WeakPolarHBondContact O-CG 3.45Å; D902-R906 PolarHBondContact O-N 2.88Å; E903-R906 WeakPolarHBondContact O-CB 3.36Å; E903-R906 PolarHBondContact O-N 3.29Å; E903-R906 IonicContact OE2-CZ 2.7Å; E903-R906 IonicContact OE2-NE 3.63Å; E903-R906 PolarHBondContact OE2-NE 3.31Å; E903-R906 IonicContact OE2-NH2 3.09Å; E903-R906 PolarHBondContact OE2-NH2 2.9Å; I904-R906 VanDerWaalsContact C-N 3.33Å; I904-R906 PolarHBondContact O-N 3.38Å; R906-K909 PolarHBondContact O-N 2.82Å; R906-R910 PolarHBondContact O-N 3.33Å |
| 907 | L | 92.6 | Very high | 92.3 | Very high | 100 Ų | 100 | 103.4 Ų | 103.4 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 179.1 | -70.4 | 173.5 | 0 | 0 | 0 | 112.5 | E903 I904 R910 K911 | E903-L907 HydrophobicContact CG-CD1 4.22Å; E903-L907 WeakPolarHBondContact O-CG 3.2Å; E903-L907 PolarHBondContact O-N 2.88Å; I904-L907 PolarHBondContact O-N 2.87Å; L907-R910 PolarHBondContact O-N 3.32Å; L907-K911 WeakPolarHBondContact O-CB 3.48Å; L907-K911 PolarHBondContact O-N 2.89Å |
| 908 | V | 91.4 | Very high | 92.4 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.1 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | I904 K905 R910 K911 E912 | I904-V908 HydrophobicContact CG2-CG2 4.2Å; I904-V908 WeakPolarHBondContact O-CB 3.44Å; I904-V908 VanDerWaalsContact O-CG2 3.28Å; I904-V908 WeakPolarHBondContact O-CG2 3.34Å; I904-V908 PolarHBondContact O-N 3.41Å; K905-V908 PolarHBondContact O-N 3.11Å; V908-R910 VanDerWaalsContact C-N 3.34Å; V908-R910 PolarHBondContact O-N 3.02Å; V908-K911 WeakPolarHBondContact O-CB 3.28Å; V908-K911 PolarHBondContact O-N 3.4Å; V908-E912 PolarHBondContact O-N 3.49Å |
| 909 | K | 93.8 | Very high | 92.3 | Very high | 144 Ų | 144 | 102.6 Ų | 102.6 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.8 | -46.6 | 174.5 | -175.1 | 178.6 | 178.5 | 179.9 | 0 | 111.3 | K905 R906 K911 E912 D913 | K905-K909 PolarHBondContact O-N 3.37Å; R906-K909 PolarHBondContact O-N 2.82Å; K909-K911 VanDerWaalsContact C-N 3.33Å; K909-K911 PolarHBondContact O-N 3.14Å; K909-E912 PolarHBondContact O-N 2.75Å; K909-E912 VanDerWaalsContact O-N 3.1Å; K909-D913 PolarHBondContact O-N 3.31Å |
| 910 | R | 95 | Very high | 92.3 | Very high | 167 Ų | 167 | 102.3 Ų | 102.3 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | 178.2 | -174.6 | 159.5 | 175.8 | 100.6 | -4.8 | 112.8 | R906 L907 V908 E912 L914 | R906-R910 PolarHBondContact O-N 3.33Å; L907-R910 PolarHBondContact O-N 3.32Å; V908-R910 VanDerWaalsContact C-N 3.34Å; V908-R910 PolarHBondContact O-N 3.02Å; R910-E912 VanDerWaalsContact C-N 3.31Å; R910-L914 HydrophobicContact CG-CD1 4.26Å; R910-L914 WeakPolarHBondContact O-CB 3.45Å; R910-L914 VanDerWaalsContact O-CG 3.26Å; R910-L914 WeakPolarHBondContact O-CG 3.49Å; R910-L914 PolarHBondContact O-N 3.4Å |
| 911 | K | 93.4 | Very high | 92.4 | Very high | 129 Ų | 129 | 101.8 Ų | 101.8 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 172.2 | 175.8 | -174.9 | 174.1 | -178.2 | 0 | 110.7 | L907 V908 K909 L914 K915 | L907-K911 WeakPolarHBondContact O-CB 3.48Å; L907-K911 PolarHBondContact O-N 2.89Å; V908-K911 WeakPolarHBondContact O-CB 3.28Å; V908-K911 PolarHBondContact O-N 3.4Å; K909-K911 VanDerWaalsContact C-N 3.33Å; K909-K911 PolarHBondContact O-N 3.14Å; K911-L914 PolarHBondContact O-N 2.84Å; K911-K915 WeakPolarHBondContact O-CG 3.46Å; K911-K915 PolarHBondContact O-N 3.37Å |
| 912 | E | 92.1 | Very high | 92.3 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 42% | 0.416 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 180 | -155.5 | 58.2 | -151.2 | 0 | 0 | 112.1 | V908 K909 R910 L914 K915 L916 | V908-E912 PolarHBondContact O-N 3.49Å; K909-E912 PolarHBondContact O-N 2.75Å; K909-E912 VanDerWaalsContact O-N 3.1Å; R910-E912 VanDerWaalsContact C-N 3.31Å; E912-L914 VanDerWaalsContact C-N 3.29Å; E912-L914 PolarHBondContact O-N 3.45Å; E912-K915 WeakPolarHBondContact O-CB 3.48Å; E912-K915 PolarHBondContact O-N 3.32Å; E912-K915 VanDerWaalsContact O-N 3.16Å; E912-K915 IonicContact OE1-NZ 3.49Å; E912-K915 WeakPolarHBondContact OE2-CD 3.44Å; E912-K915 IonicContact OE2-NZ 3.83Å; E912-K915 PolarHBondContact OE2-NZ 3.18Å; E912-L916 PolarHBondContact O-N 2.93Å |
| 913 | D | 93.9 | Very high | 92.3 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 173 | -66 | -24.4 | 0 | 0 | 0 | 111.6 | K909 L916 L917 | K909-D913 PolarHBondContact O-N 3.31Å; D913-L916 PolarHBondContact O-N 3.45Å; D913-L917 PolarHBondContact O-N 3.35Å |
| 914 | L | 91.8 | Very high | 92.2 | Very high | 87 Ų | 87 | 104.7 Ų | 104.7 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 176.6 | -74.3 | 171.8 | 0 | 0 | 0 | 112.6 | R910 K911 E912 L916 L917 V918 | R910-L914 HydrophobicContact CG-CD1 4.26Å; R910-L914 WeakPolarHBondContact O-CB 3.45Å; R910-L914 VanDerWaalsContact O-CG 3.26Å; R910-L914 WeakPolarHBondContact O-CG 3.49Å; R910-L914 PolarHBondContact O-N 3.4Å; K911-L914 PolarHBondContact O-N 2.84Å; E912-L914 VanDerWaalsContact C-N 3.29Å; E912-L914 PolarHBondContact O-N 3.45Å; L914-L916 VanDerWaalsContact C-N 3.34Å; L914-L917 PolarHBondContact O-N 3.24Å; L914-V918 VanDerWaalsContact O-CG2 3.3Å; L914-V918 WeakPolarHBondContact O-CG2 3.45Å; L914-V918 PolarHBondContact O-N 3.48Å |
| 915 | K | 89.8 | Confident | 92.3 | Very high | 103 Ų | 103 | 103.1 Ų | 103.1 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 173.7 | -75.8 | -178.7 | -166.8 | 160.6 | 0 | 111.6 | K911 E912 L917 V918 A919 | K911-K915 WeakPolarHBondContact O-CG 3.46Å; K911-K915 PolarHBondContact O-N 3.37Å; E912-K915 WeakPolarHBondContact O-CB 3.48Å; E912-K915 PolarHBondContact O-N 3.32Å; E912-K915 VanDerWaalsContact O-N 3.16Å; E912-K915 IonicContact OE1-NZ 3.49Å; E912-K915 WeakPolarHBondContact OE2-CD 3.44Å; E912-K915 IonicContact OE2-NZ 3.83Å; E912-K915 PolarHBondContact OE2-NZ 3.18Å; K915-L917 VanDerWaalsContact C-N 3.33Å; K915-V918 PolarHBondContact O-N 2.87Å; K915-A919 WeakPolarHBondContact O-CB 3.41Å; K915-A919 PolarHBondContact O-N 3.24Å |
| 916 | L | 90.2 | Very high | 92.2 | Very high | 112 Ų | 112 | 100.9 Ų | 100.9 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 176.3 | -70.9 | 172.6 | 0 | 0 | 0 | 111.1 | E912 D913 L914 A919 D920 | E912-L916 PolarHBondContact O-N 2.93Å; D913-L916 PolarHBondContact O-N 3.45Å; L914-L916 VanDerWaalsContact C-N 3.34Å; L916-A919 PolarHBondContact O-N 3.43Å; L916-D920 PolarHBondContact O-N 3.01Å |
| 917 | L | 92.9 | Very high | 92.1 | Very high | 93 Ų | 93 | 99.4 Ų | 99.4 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.4 | -177 | 63.2 | 0 | 0 | 0 | 112.4 | D913 L914 K915 A919 D920 L921 | D913-L917 PolarHBondContact O-N 3.35Å; L914-L917 PolarHBondContact O-N 3.24Å; K915-L917 VanDerWaalsContact C-N 3.33Å; L917-A919 VanDerWaalsContact C-N 3.35Å; L917-D920 PolarHBondContact O-N 3.47Å; L917-L921 HydrophobicContact CD1-CD1 4.49Å; L917-L921 HydrophobicContact CD1-CG 4.45Å; L917-L921 HydrophobicContact CG-CD1 4.18Å; L917-L921 WeakPolarHBondContact O-CB 3.26Å; L917-L921 VanDerWaalsContact O-CG 3.27Å; L917-L921 WeakPolarHBondContact O-CG 3.37Å; L917-L921 PolarHBondContact O-N 2.83Å |
| 918 | V | 90.3 | Very high | 92.1 | Very high | 95 Ų | 95 | 99.4 Ų | 99.4 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 111 | L914 K915 L921 Q922 | L914-V918 VanDerWaalsContact O-CG2 3.3Å; L914-V918 WeakPolarHBondContact O-CG2 3.45Å; L914-V918 PolarHBondContact O-N 3.48Å; K915-V918 PolarHBondContact O-N 2.87Å; V918-L921 PolarHBondContact O-N 2.85Å; V918-Q922 WeakPolarHBondContact O-CB 3.48Å; V918-Q922 PolarHBondContact O-N 3.15Å |
| 919 | A | 90.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 100.2 Ų | 100.2 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K915 L916 L917 Q922 S923 | K915-A919 WeakPolarHBondContact O-CB 3.41Å; K915-A919 PolarHBondContact O-N 3.24Å; L916-A919 PolarHBondContact O-N 3.43Å; L917-A919 VanDerWaalsContact C-N 3.35Å; A919-Q922 PolarHBondContact O-N 2.79Å; A919-S923 PolarHBondContact O-N 3.44Å |
| 920 | D | 93.1 | Very high | 92 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 175.2 | -176.4 | 64.9 | 0 | 0 | 0 | 111.6 | L916 L917 Q922 S923 K924 | L916-D920 PolarHBondContact O-N 3.01Å; L917-D920 PolarHBondContact O-N 3.47Å; D920-Q922 VanDerWaalsContact C-N 3.33Å; D920-Q922 PolarHBondContact O-N 3.49Å; D920-S923 WeakPolarHBondContact O-CB 3.23Å; D920-S923 PolarHBondContact O-N 2.83Å; D920-K924 WeakPolarHBondContact O-CB 3.29Å; D920-K924 PolarHBondContact O-N 2.93Å |
| 921 | L | 92.9 | Very high | 91.9 | Very high | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 175.7 | -72.5 | 174.2 | 0 | 0 | 0 | 112.1 | L917 V918 K924 V925 | L917-L921 HydrophobicContact CD1-CD1 4.49Å; L917-L921 HydrophobicContact CD1-CG 4.45Å; L917-L921 HydrophobicContact CG-CD1 4.18Å; L917-L921 WeakPolarHBondContact O-CB 3.26Å; L917-L921 VanDerWaalsContact O-CG 3.27Å; L917-L921 WeakPolarHBondContact O-CG 3.37Å; L917-L921 PolarHBondContact O-N 2.83Å; V918-L921 PolarHBondContact O-N 2.85Å; L921-K924 PolarHBondContact O-N 2.94Å; L921-V925 WeakPolarHBondContact O-CG2 3.38Å; L921-V925 PolarHBondContact O-N 3.29Å |
| 922 | Q | 91.7 | Very high | 91.9 | Very high | 99 Ų | 99 | 96.3 Ų | 96.3 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 176 | -173 | 61.2 | 48.2 | 0 | 0 | 111.4 | V918 A919 D920 K924 V925 D926 | V918-Q922 WeakPolarHBondContact O-CB 3.48Å; V918-Q922 PolarHBondContact O-N 3.15Å; A919-Q922 PolarHBondContact O-N 2.79Å; D920-Q922 VanDerWaalsContact C-N 3.33Å; D920-Q922 PolarHBondContact O-N 3.49Å; Q922-K924 PolarHBondContact O-N 3.42Å; Q922-V925 WeakPolarHBondContact O-CB 3.28Å; Q922-V925 PolarHBondContact O-N 2.84Å; Q922-V925 VanDerWaalsContact O-N 3.14Å; Q922-D926 PolarHBondContact NE2-OD1 3.49Å; Q922-D926 VanDerWaalsContact O-CG 3.28Å; Q922-D926 PolarHBondContact O-N 3.42Å |
| 923 | S | 91.7 | Very high | 91.9 | Very high | 70 Ų | 70 | 98 Ų | 98 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -41.3 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | A919 D920 D926 E927 | A919-S923 PolarHBondContact O-N 3.44Å; D920-S923 WeakPolarHBondContact O-CB 3.23Å; D920-S923 PolarHBondContact O-N 2.83Å; S923-D926 PolarHBondContact O-N 3.23Å; S923-E927 WeakPolarHBondContact O-CB 3.41Å; S923-E927 PolarHBondContact O-N 3.2Å |
| 924 | K | 93.2 | Very high | 91.8 | Very high | 125 Ų | 125 | 96.1 Ų | 96.1 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 177.8 | -160.6 | 154.4 | -171.1 | 166.5 | 0 | 112.6 | D920 L921 Q922 L928 | D920-K924 WeakPolarHBondContact O-CB 3.29Å; D920-K924 PolarHBondContact O-N 2.93Å; L921-K924 PolarHBondContact O-N 2.94Å; Q922-K924 PolarHBondContact O-N 3.42Å; K924-L928 WeakPolarHBondContact O-CB 3.41Å; K924-L928 VanDerWaalsContact O-CG 3.26Å; K924-L928 WeakPolarHBondContact O-CG 3.32Å; K924-L928 PolarHBondContact O-N 3.35Å |
| 925 | V | 91.5 | Very high | 91.8 | Very high | 64 Ų | 64 | 96 Ų | 96 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 172.5 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | L921 Q922 E927 L928 Q929 | L921-V925 WeakPolarHBondContact O-CG2 3.38Å; L921-V925 PolarHBondContact O-N 3.29Å; Q922-V925 WeakPolarHBondContact O-CB 3.28Å; Q922-V925 PolarHBondContact O-N 2.84Å; Q922-V925 VanDerWaalsContact O-N 3.14Å; V925-E927 VanDerWaalsContact C-N 3.32Å; V925-E927 PolarHBondContact O-N 3.16Å; V925-L928 PolarHBondContact O-N 3.43Å; V925-Q929 HydrophobicContact CG1-CG 4.37Å; V925-Q929 WeakPolarHBondContact O-CB 3.41Å; V925-Q929 WeakPolarHBondContact O-CG 3.46Å; V925-Q929 PolarHBondContact O-N 2.88Å |
| 926 | D | 91 | Very high | 91.9 | Very high | 66 Ų | 66 | 93.2 Ų | 93.2 | 35% | 0.353 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 178.9 | -67.3 | -5.2 | 0 | 0 | 0 | 111.5 | Q922 S923 Q929 K930 | Q922-D926 PolarHBondContact NE2-OD1 3.49Å; Q922-D926 VanDerWaalsContact O-CG 3.28Å; Q922-D926 PolarHBondContact O-N 3.42Å; S923-D926 PolarHBondContact O-N 3.23Å; D926-Q929 PolarHBondContact O-N 3.24Å; D926-K930 WeakPolarHBondContact O-CG 3.49Å; D926-K930 PolarHBondContact O-N 3.4Å |
| 927 | E | 92.5 | Very high | 91.9 | Very high | 114 Ų | 114 | 91.6 Ų | 91.6 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 175 | -173.9 | 166.3 | -160.4 | 0 | 0 | 111.8 | S923 V925 Q929 K930 Q931 | S923-E927 WeakPolarHBondContact O-CB 3.41Å; S923-E927 PolarHBondContact O-N 3.2Å; V925-E927 VanDerWaalsContact C-N 3.32Å; V925-E927 PolarHBondContact O-N 3.16Å; E927-Q929 VanDerWaalsContact C-N 3.31Å; E927-Q929 PolarHBondContact O-N 3.35Å; E927-K930 PolarHBondContact O-N 3.39Å; E927-Q931 WeakPolarHBondContact O-CG 3.14Å; E927-Q931 PolarHBondContact O-N 3.39Å |
| 928 | L | 92.2 | Very high | 91.9 | Very high | 100 Ų | 100 | 94.4 Ų | 94.4 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 174.4 | -73.5 | 172.7 | 0 | 0 | 0 | 112.1 | K924 V925 Q931 N932 | K924-L928 WeakPolarHBondContact O-CB 3.41Å; K924-L928 VanDerWaalsContact O-CG 3.26Å; K924-L928 WeakPolarHBondContact O-CG 3.32Å; K924-L928 PolarHBondContact O-N 3.35Å; V925-L928 PolarHBondContact O-N 3.43Å; L928-Q931 PolarHBondContact O-N 3.23Å; L928-N932 VanDerWaalsContact O-CB 3.28Å; L928-N932 WeakPolarHBondContact O-CB 3.21Å; L928-N932 PolarHBondContact O-N 3.08Å |
| 929 | Q | 92 | Very high | 91.8 | Very high | 105 Ų | 105 | 97.2 Ų | 97.2 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 173.7 | -80 | 178.6 | -8.5 | 0 | 0 | 111.3 | V925 D926 E927 Q931 N932 E933 | V925-Q929 HydrophobicContact CG1-CG 4.37Å; V925-Q929 WeakPolarHBondContact O-CB 3.41Å; V925-Q929 WeakPolarHBondContact O-CG 3.46Å; V925-Q929 PolarHBondContact O-N 2.88Å; D926-Q929 PolarHBondContact O-N 3.24Å; E927-Q929 VanDerWaalsContact C-N 3.31Å; E927-Q929 PolarHBondContact O-N 3.35Å; Q929-Q931 VanDerWaalsContact C-N 3.33Å; Q929-Q931 PolarHBondContact O-N 3.16Å; Q929-N932 CarbonylContact O-C 3.57Å; Q929-N932 PolarHBondContact O-N 2.68Å; Q929-N932 VanDerWaalsContact O-N 3.15Å; Q929-E933 WeakPolarHBondContact O-CG 3.49Å; Q929-E933 PolarHBondContact O-N 3.26Å |
| 930 | K | 91.6 | Very high | 91.8 | Very high | 149 Ų | 149 | 101.6 Ų | 101.6 | 65% | 0.648 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.3 | -42.9 | 174.3 | -75.5 | 176.6 | -177.7 | 173.2 | 0 | 112.1 | D926 E927 N932 E933 S934 | D926-K930 WeakPolarHBondContact O-CG 3.49Å; D926-K930 PolarHBondContact O-N 3.4Å; E927-K930 PolarHBondContact O-N 3.39Å; K930-N932 VanDerWaalsContact C-N 3.35Å; K930-E933 PolarHBondContact O-N 3.45Å; K930-S934 WeakPolarHBondContact O-CB 3.42Å; K930-S934 PolarHBondContact O-N 3Å |
| 931 | Q | 92 | Very high | 91.7 | Very high | 103 Ų | 103 | 100.7 Ų | 100.7 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 174.8 | -75.4 | -175.2 | -7.3 | 0 | 0 | 111 | E927 L928 Q929 S934 M935 | E927-Q931 WeakPolarHBondContact O-CG 3.14Å; E927-Q931 PolarHBondContact O-N 3.39Å; L928-Q931 PolarHBondContact O-N 3.23Å; Q929-Q931 VanDerWaalsContact C-N 3.33Å; Q929-Q931 PolarHBondContact O-N 3.16Å; Q931-S934 PolarHBondContact O-N 3.26Å; Q931-S934 PolarHBondContact O-OG 2.93Å; Q931-M935 WeakPolarHBondContact O-CB 3.19Å; Q931-M935 VanDerWaalsContact O-CG 3.31Å; Q931-M935 WeakPolarHBondContact O-CG 3.45Å; Q931-M935 PolarHBondContact O-N 3.16Å |
| 932 | N | 93.3 | Very high | 91.7 | Very high | 105 Ų | 105 | 103.3 Ų | 103.3 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -39.9 | 177.7 | -174 | 56.6 | 0 | 0 | 0 | 112.8 | L928 Q929 K930 M935 S936 | L928-N932 VanDerWaalsContact O-CB 3.28Å; L928-N932 WeakPolarHBondContact O-CB 3.21Å; L928-N932 PolarHBondContact O-N 3.08Å; Q929-N932 CarbonylContact O-C 3.57Å; Q929-N932 PolarHBondContact O-N 2.68Å; Q929-N932 VanDerWaalsContact O-N 3.15Å; K930-N932 VanDerWaalsContact C-N 3.35Å; N932-M935 PolarHBondContact O-N 2.84Å; N932-S936 VanDerWaalsContact O-CB 3.25Å; N932-S936 WeakPolarHBondContact O-CB 3.4Å; N932-S936 PolarHBondContact O-N 3.38Å; N932-S936 PolarHBondContact O-OG 2.92Å |
| 933 | E | 91.3 | Very high | 91.7 | Very high | 126 Ų | 126 | 102.1 Ų | 102.1 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 173.3 | -75.7 | 176.3 | 178.8 | 0 | 0 | 111.3 | Q929 K930 M935 S936 Q937 | Q929-E933 WeakPolarHBondContact O-CG 3.49Å; Q929-E933 PolarHBondContact O-N 3.26Å; K930-E933 PolarHBondContact O-N 3.45Å; E933-M935 VanDerWaalsContact C-N 3.33Å; E933-M935 PolarHBondContact O-N 2.87Å; E933-S936 PolarHBondContact O-N 3.02Å; E933-Q937 WeakPolarHBondContact O-CB 3.41Å; E933-Q937 PolarHBondContact O-N 3.46Å |
| 934 | S | 92.8 | Very high | 91.6 | Very high | 50 Ų | 50 | 101.1 Ų | 101.1 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.8 | 83.5 | 0 | 0 | 0 | 0 | 111.6 | K930 Q931 Q937 R938 | K930-S934 WeakPolarHBondContact O-CB 3.42Å; K930-S934 PolarHBondContact O-N 3Å; Q931-S934 PolarHBondContact O-N 3.26Å; Q931-S934 PolarHBondContact O-OG 2.93Å; S934-Q937 PolarHBondContact O-N 3.01Å; S934-R938 VanDerWaalsContact O-CG 3.32Å; S934-R938 WeakPolarHBondContact O-CG 3.19Å; S934-R938 PolarHBondContact O-N 3.46Å |
| 935 | M | 90.7 | Very high | 91.5 | Very high | 83 Ų | 83 | 99.9 Ų | 99.9 | 41% | 0.409 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -42 | 175.4 | -73.7 | -62 | -66.9 | 0 | 0 | 110.8 | Q931 N932 E933 Q937 R938 W939 | Q931-M935 WeakPolarHBondContact O-CB 3.19Å; Q931-M935 VanDerWaalsContact O-CG 3.31Å; Q931-M935 WeakPolarHBondContact O-CG 3.45Å; Q931-M935 PolarHBondContact O-N 3.16Å; N932-M935 PolarHBondContact O-N 2.84Å; E933-M935 VanDerWaalsContact C-N 3.33Å; E933-M935 PolarHBondContact O-N 2.87Å; M935-Q937 VanDerWaalsContact C-N 3.34Å; M935-Q937 PolarHBondContact O-N 3.25Å; M935-R938 PolarHBondContact O-N 2.86Å; M935-W939 WeakPolarHBondContact O-CB 3.33Å; M935-W939 PolarHBondContact O-N 2.78Å |
| 936 | S | 91.7 | Very high | 91.4 | Very high | 46 Ų | 46 | 101 Ų | 101 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 176.2 | -62 | 0 | 0 | 0 | 0 | 112.3 | N932 E933 W939 R940 | N932-S936 VanDerWaalsContact O-CB 3.25Å; N932-S936 WeakPolarHBondContact O-CB 3.4Å; N932-S936 PolarHBondContact O-N 3.38Å; N932-S936 PolarHBondContact O-OG 2.92Å; E933-S936 PolarHBondContact O-N 3.02Å; S936-W939 PolarHBondContact O-N 3.35Å; S936-R940 WeakPolarHBondContact O-CG 3.47Å; S936-R940 PolarHBondContact O-N 2.96Å |
| 937 | Q | 91.1 | Very high | 91.3 | Very high | 78 Ų | 78 | 101.5 Ų | 101.5 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 172.1 | -174.4 | 63.3 | 44.5 | 0 | 0 | 111 | E933 S934 M935 W939 R940 D941 | E933-Q937 WeakPolarHBondContact O-CB 3.41Å; E933-Q937 PolarHBondContact O-N 3.46Å; S934-Q937 PolarHBondContact O-N 3.01Å; M935-Q937 VanDerWaalsContact C-N 3.34Å; M935-Q937 PolarHBondContact O-N 3.25Å; Q937-W939 VanDerWaalsContact C-N 3.25Å; Q937-W939 PolarHBondContact O-N 3.26Å; Q937-R940 WeakPolarHBondContact O-CB 3.44Å; Q937-R940 PolarHBondContact O-N 2.82Å; Q937-R940 VanDerWaalsContact O-N 3.08Å; Q937-D941 PolarHBondContact NE2-OD1 2.8Å; Q937-D941 VanDerWaalsContact O-CG 3.25Å; Q937-D941 PolarHBondContact O-N 3.24Å |
| 938 | R | 92.5 | Very high | 91.1 | Very high | 151 Ų | 151 | 102.5 Ų | 102.5 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.3 | -38.7 | 175 | -71.7 | 174.7 | -171.7 | -174.1 | 3.3 | 112 | S934 M935 R942 | S934-R938 VanDerWaalsContact O-CG 3.32Å; S934-R938 WeakPolarHBondContact O-CG 3.19Å; S934-R938 PolarHBondContact O-N 3.46Å; M935-R938 PolarHBondContact O-N 2.86Å; R938-R942 WeakPolarHBondContact O-CB 3.48Å; R938-R942 VanDerWaalsContact O-CG 3.29Å; R938-R942 WeakPolarHBondContact O-CG 3.44Å; R938-R942 PolarHBondContact O-N 2.9Å |
| 939 | W | 89.7 | Confident | 90.9 | Very high | 155 Ų | 155 | 102 Ų | 102 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 173.3 | -81.8 | 114.9 | 0 | 0 | 0 | 111.4 | M935 S936 Q937 D941 R942 T943 | M935-W939 WeakPolarHBondContact O-CB 3.33Å; M935-W939 PolarHBondContact O-N 2.78Å; S936-W939 PolarHBondContact O-N 3.35Å; Q937-W939 VanDerWaalsContact C-N 3.25Å; Q937-W939 PolarHBondContact O-N 3.26Å; W939-D941 PolarHBondContact O-N 2.85Å; W939-R942 PolarHBondContact O-N 2.9Å; W939-T943 PolarHBondContact O-N 3.46Å; W939-T943 PolarHBondContact O-OG1 3.26Å |
| 940 | R | 90.4 | Very high | 90.7 | Very high | 151 Ų | 151 | 102.6 Ų | 102.6 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.8 | -43.8 | 175.1 | -78.2 | -175.6 | -74.1 | 165.4 | -6.6 | 113 | S936 Q937 T943 S944 | S936-R940 WeakPolarHBondContact O-CG 3.47Å; S936-R940 PolarHBondContact O-N 2.96Å; Q937-R940 WeakPolarHBondContact O-CB 3.44Å; Q937-R940 PolarHBondContact O-N 2.82Å; Q937-R940 VanDerWaalsContact O-N 3.08Å; R940-T943 PolarHBondContact O-N 3.44Å; R940-S944 WeakPolarHBondContact O-CB 3.29Å; R940-S944 PolarHBondContact O-N 3.33Å |
| 941 | D | 90.6 | Very high | 90.6 | Very high | 81 Ų | 81 | 102.9 Ų | 102.9 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 178.6 | -64.2 | -20 | 0 | 0 | 0 | 110.4 | Q937 W939 S944 L945 | Q937-D941 PolarHBondContact NE2-OD1 2.8Å; Q937-D941 VanDerWaalsContact O-CG 3.25Å; Q937-D941 PolarHBondContact O-N 3.24Å; W939-D941 PolarHBondContact O-N 2.85Å; D941-S944 PolarHBondContact O-N 3.47Å; D941-S944 PolarHBondContact O-OG 3.33Å; D941-L945 WeakPolarHBondContact O-CB 3.49Å; D941-L945 PolarHBondContact O-N 2.68Å |
| 942 | R | 91.9 | Very high | 90.4 | Very high | 149 Ų | 149 | 103.4 Ų | 103.4 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 173.7 | -76.9 | 176.6 | 176 | 176.6 | -1.7 | 112.1 | R938 W939 S944 L945 I946 | R938-R942 WeakPolarHBondContact O-CB 3.48Å; R938-R942 VanDerWaalsContact O-CG 3.29Å; R938-R942 WeakPolarHBondContact O-CG 3.44Å; R938-R942 PolarHBondContact O-N 2.9Å; W939-R942 PolarHBondContact O-N 2.9Å; R942-S944 VanDerWaalsContact C-N 3.34Å; R942-S944 PolarHBondContact O-N 2.71Å; R942-L945 PolarHBondContact O-N 3.33Å; R942-I946 VanDerWaalsContact O-CG1 3.27Å; R942-I946 WeakPolarHBondContact O-CG1 3.25Å; R942-I946 PolarHBondContact O-N 3.21Å |
| 943 | T | 92.3 | Very high | 90.2 | Very high | 73 Ų | 73 | 102.9 Ų | 102.9 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | W939 R940 L945 I946 D947 | W939-T943 PolarHBondContact O-N 3.46Å; W939-T943 PolarHBondContact O-OG1 3.26Å; R940-T943 PolarHBondContact O-N 3.44Å; T943-L945 VanDerWaalsContact C-N 3.29Å; T943-L945 PolarHBondContact O-N 3.48Å; T943-I946 PolarHBondContact O-N 3.33Å; T943-D947 PolarHBondContact O-N 3.02Å |
| 944 | S | 88.4 | Confident | 90.1 | Very high | 50 Ų | 50 | 101.2 Ų | 101.2 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.4 | -32.9 | 177.5 | 84.3 | 0 | 0 | 0 | 0 | 113.3 | R940 D941 R942 K948 | R940-S944 WeakPolarHBondContact O-CB 3.29Å; R940-S944 PolarHBondContact O-N 3.33Å; D941-S944 PolarHBondContact O-N 3.47Å; D941-S944 PolarHBondContact O-OG 3.33Å; R942-S944 VanDerWaalsContact C-N 3.34Å; R942-S944 PolarHBondContact O-N 2.71Å; S944-K948 WeakPolarHBondContact O-CG 3.1Å; S944-K948 PolarHBondContact O-N 2.89Å; S944-K948 VanDerWaalsContact O-N 3.09Å |
| 945 | L | 91.7 | Very high | 89.8 | Confident | 98 Ų | 98 | 104.5 Ų | 104.5 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.5 | -42.6 | 175.4 | -178.6 | 64.6 | 0 | 0 | 0 | 110.4 | D941 R942 T943 K948 L949 | D941-L945 WeakPolarHBondContact O-CB 3.49Å; D941-L945 PolarHBondContact O-N 2.68Å; R942-L945 PolarHBondContact O-N 3.33Å; T943-L945 VanDerWaalsContact C-N 3.29Å; T943-L945 PolarHBondContact O-N 3.48Å; L945-K948 PolarHBondContact O-N 2.84Å; L945-L949 HydrophobicContact CG-CD1 4.23Å; L945-L949 WeakPolarHBondContact O-CB 3.42Å; L945-L949 VanDerWaalsContact O-CG 3.32Å; L945-L949 WeakPolarHBondContact O-CG 3.27Å; L945-L949 PolarHBondContact O-N 2.88Å |
| 946 | I | 90.1 | Very high | 89.7 | Confident | 88 Ų | 88 | 107 Ų | 107 | 45% | 0.451 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 172.6 | -68.1 | 165.3 | 0 | 0 | 0 | 109.6 | R942 T943 K948 L949 E950 | R942-I946 VanDerWaalsContact O-CG1 3.27Å; R942-I946 WeakPolarHBondContact O-CG1 3.25Å; R942-I946 PolarHBondContact O-N 3.21Å; T943-I946 PolarHBondContact O-N 3.33Å; I946-K948 VanDerWaalsContact C-N 3.28Å; I946-K948 PolarHBondContact O-N 3.25Å; I946-L949 CarbonylContact O-C 3.54Å; I946-L949 PolarHBondContact O-N 2.82Å; I946-L949 VanDerWaalsContact O-N 3.09Å; I946-E950 HydrophobicContact CG2-CG 4.14Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.32Å; I946-E950 WeakPolarHBondContact O-CB 3.14Å; I946-E950 WeakPolarHBondContact O-CG 3.23Å; I946-E950 PolarHBondContact O-N 3.45Å |
| 947 | D | 88.7 | Confident | 89.5 | Confident | 77 Ų | 77 | 111.8 Ų | 111.8 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.9 | -39.6 | 176.9 | -70.5 | -14.6 | 0 | 0 | 0 | 112.6 | T943 K951 | T943-D947 PolarHBondContact O-N 3.02Å; D947-K951 WeakPolarHBondContact O-CB 3.39Å; D947-K951 VanDerWaalsContact O-CG 3.31Å; D947-K951 WeakPolarHBondContact O-CG 3.26Å; D947-K951 PolarHBondContact O-N 3.01Å |
| 948 | K | 88.4 | Confident | 89.4 | Confident | 134 Ų | 134 | 112.4 Ų | 112.4 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | 176.2 | -77.6 | 174 | -176.2 | 174.7 | 0 | 111.6 | S944 L945 I946 K951 Q952 | S944-K948 WeakPolarHBondContact O-CG 3.1Å; S944-K948 PolarHBondContact O-N 2.89Å; S944-K948 VanDerWaalsContact O-N 3.09Å; L945-K948 PolarHBondContact O-N 2.84Å; I946-K948 VanDerWaalsContact C-N 3.28Å; I946-K948 PolarHBondContact O-N 3.25Å; K948-K951 PolarHBondContact O-N 3.43Å; K948-Q952 WeakPolarHBondContact O-CG 3.47Å; K948-Q952 PolarHBondContact O-N 3.41Å |
| 949 | L | 88 | Confident | 89.1 | Confident | 89 Ų | 89 | 109.3 Ų | 109.3 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 177 | -71.9 | 171 | 0 | 0 | 0 | 110.7 | L945 I946 Q952 V953 | L945-L949 HydrophobicContact CG-CD1 4.23Å; L945-L949 WeakPolarHBondContact O-CB 3.42Å; L945-L949 VanDerWaalsContact O-CG 3.32Å; L945-L949 WeakPolarHBondContact O-CG 3.27Å; L945-L949 PolarHBondContact O-N 2.88Å; I946-L949 CarbonylContact O-C 3.54Å; I946-L949 PolarHBondContact O-N 2.82Å; I946-L949 VanDerWaalsContact O-N 3.09Å; L949-Q952 PolarHBondContact O-N 3.34Å; L949-V953 WeakPolarHBondContact O-CB 3.34Å; L949-V953 VanDerWaalsContact O-CG2 3.26Å; L949-V953 WeakPolarHBondContact O-CG2 3.33Å; L949-V953 PolarHBondContact O-N 3.24Å |
| 950 | E | 88.3 | Confident | 89 | Confident | 118 Ų | 118 | 109.9 Ų | 109.9 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.1 | -45.7 | 174 | -75.1 | 179.3 | 176.1 | 0 | 0 | 111.4 | I946 Q952 V953 E954 | I946-E950 HydrophobicContact CG2-CG 4.14Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.32Å; I946-E950 WeakPolarHBondContact O-CB 3.14Å; I946-E950 WeakPolarHBondContact O-CG 3.23Å; I946-E950 PolarHBondContact O-N 3.45Å; E950-Q952 PolarHBondContact O-N 3.44Å; E950-V953 PolarHBondContact O-N 2.96Å; E950-E954 WeakPolarHBondContact O-CB 3.32Å; E950-E954 PolarHBondContact O-N 3.27Å |
| 951 | K | 89 | Confident | 89 | Confident | 156 Ų | 156 | 106.2 Ų | 106.2 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 174.1 | -77.2 | 175.5 | -177.9 | 176.2 | 0 | 113.1 | D947 K948 E954 Q955 | D947-K951 WeakPolarHBondContact O-CB 3.39Å; D947-K951 VanDerWaalsContact O-CG 3.31Å; D947-K951 WeakPolarHBondContact O-CG 3.26Å; D947-K951 PolarHBondContact O-N 3.01Å; K948-K951 PolarHBondContact O-N 3.43Å; K951-E954 PolarHBondContact O-N 3.5Å; K951-Q955 WeakPolarHBondContact O-CB 3.29Å; K951-Q955 PolarHBondContact O-N 2.88Å |
| 952 | Q | 87.6 | Confident | 88.7 | Confident | 113 Ų | 113 | 108.2 Ų | 108.2 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 175.2 | -78.9 | -179.6 | -20 | 0 | 0 | 111.3 | K948 L949 E950 E954 Q955 M956 | K948-Q952 WeakPolarHBondContact O-CG 3.47Å; K948-Q952 PolarHBondContact O-N 3.41Å; L949-Q952 PolarHBondContact O-N 3.34Å; E950-Q952 PolarHBondContact O-N 3.44Å; Q952-E954 VanDerWaalsContact C-N 3.34Å; Q952-Q955 PolarHBondContact O-N 3.39Å; Q952-M956 WeakPolarHBondContact O-CB 3.45Å; Q952-M956 VanDerWaalsContact O-CG 3.29Å; Q952-M956 WeakPolarHBondContact O-CG 3.31Å; Q952-M956 PolarHBondContact O-N 2.81Å |
| 953 | V | 89.2 | Confident | 88.4 | Confident | 95 Ų | 95 | 106.5 Ų | 106.5 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | L949 E950 M956 R957 | L949-V953 WeakPolarHBondContact O-CB 3.34Å; L949-V953 VanDerWaalsContact O-CG2 3.26Å; L949-V953 WeakPolarHBondContact O-CG2 3.33Å; L949-V953 PolarHBondContact O-N 3.24Å; E950-V953 PolarHBondContact O-N 2.96Å; V953-M956 PolarHBondContact O-N 2.84Å; V953-R957 WeakPolarHBondContact O-CB 3.24Å; V953-R957 PolarHBondContact O-N 3.38Å |
| 954 | E | 88.6 | Confident | 88 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 176.3 | -168.7 | 62.8 | -160.9 | 0 | 0 | 111.9 | E950 K951 Q952 R957 L958 | E950-E954 WeakPolarHBondContact O-CB 3.32Å; E950-E954 PolarHBondContact O-N 3.27Å; K951-E954 PolarHBondContact O-N 3.5Å; Q952-E954 VanDerWaalsContact C-N 3.34Å; E954-R957 WeakPolarHBondContact O-CB 3.36Å; E954-R957 PolarHBondContact O-N 3.01Å; E954-R957 IonicContact OE1-NH1 3.63Å; E954-R957 IonicContact OE2-NH1 2.71Å; E954-L958 PolarHBondContact O-N 2.8Å |
| 955 | Q | 87 | Confident | 88 | Confident | 119 Ų | 119 | 111.6 Ų | 111.6 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.3 | -41.2 | 174.8 | -171.3 | 176.5 | 7.5 | 0 | 0 | 111.9 | K951 Q952 R957 L958 N959 | K951-Q955 WeakPolarHBondContact O-CB 3.29Å; K951-Q955 PolarHBondContact O-N 2.88Å; Q952-Q955 PolarHBondContact O-N 3.39Å; Q955-R957 VanDerWaalsContact C-N 3.26Å; Q955-R957 PolarHBondContact O-N 3.11Å; Q955-L958 PolarHBondContact O-N 3.42Å; Q955-N959 WeakPolarHBondContact O-CB 3.39Å; Q955-N959 VanDerWaalsContact O-CG 3.26Å; Q955-N959 PolarHBondContact O-N 2.76Å; Q955-N959 PolarHBondContact O-OD1 3.48Å |
| 956 | M | 88 | Confident | 87.6 | Confident | 134 Ų | 134 | 112.5 Ų | 112.5 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -38.5 | 172.8 | -76.5 | -179.9 | 64.2 | 0 | 0 | 111.2 | Q952 V953 W960 | Q952-M956 WeakPolarHBondContact O-CB 3.45Å; Q952-M956 VanDerWaalsContact O-CG 3.29Å; Q952-M956 WeakPolarHBondContact O-CG 3.31Å; Q952-M956 PolarHBondContact O-N 2.81Å; V953-M956 PolarHBondContact O-N 2.84Å; M956-W960 VanDerWaalsContact O-CB 3.23Å; M956-W960 WeakPolarHBondContact O-CB 3.36Å; M956-W960 PolarHBondContact O-N 3.38Å |
| 957 | R | 88.8 | Confident | 87.3 | Confident | 147 Ų | 147 | 113.2 Ų | 113.2 | 56% | 0.555 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 174.9 | -175.2 | -174.3 | 176.5 | -165.9 | 1 | 112 | V953 E954 Q955 W960 D961 | V953-R957 WeakPolarHBondContact O-CB 3.24Å; V953-R957 PolarHBondContact O-N 3.38Å; E954-R957 WeakPolarHBondContact O-CB 3.36Å; E954-R957 PolarHBondContact O-N 3.01Å; E954-R957 IonicContact OE1-NH1 3.63Å; E954-R957 IonicContact OE2-NH1 2.71Å; Q955-R957 VanDerWaalsContact C-N 3.26Å; Q955-R957 PolarHBondContact O-N 3.11Å; R957-W960 WeakPolarHBondContact O-CB 3.3Å; R957-W960 PolarHBondContact O-N 3.45Å; R957-D961 WeakPolarHBondContact O-CB 3.43Å; R957-D961 VanDerWaalsContact O-CG 3.24Å; R957-D961 PolarHBondContact O-N 3.29Å |
| 958 | L | 87.5 | Confident | 87 | Confident | 92 Ų | 92 | 112.1 Ų | 112.1 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 174.9 | -88.1 | 157.4 | 0 | 0 | 0 | 112.3 | E954 Q955 W960 D961 E962 | E954-L958 PolarHBondContact O-N 2.8Å; Q955-L958 PolarHBondContact O-N 3.42Å; L958-W960 VanDerWaalsContact C-N 3.3Å; L958-W960 PolarHBondContact O-N 2.74Å; L958-D961 PolarHBondContact O-N 3.17Å; L958-E962 PolarHBondContact O-N 3.17Å |
| 959 | N | 87.7 | Confident | 86.8 | Confident | 85 Ų | 85 | 109.6 Ų | 109.6 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 176.4 | -72.5 | 0.5 | 0 | 0 | 0 | 111.1 | Q955 E962 E963 | Q955-N959 WeakPolarHBondContact O-CB 3.39Å; Q955-N959 VanDerWaalsContact O-CG 3.26Å; Q955-N959 PolarHBondContact O-N 2.76Å; Q955-N959 PolarHBondContact O-OD1 3.48Å; N959-E962 PolarHBondContact O-N 3.35Å; N959-E963 WeakPolarHBondContact O-CB 3.23Å; N959-E963 PolarHBondContact O-N 3.28Å |
| 960 | W | 87.8 | Confident | 86.5 | Confident | 167 Ų | 167 | 111.8 Ų | 111.8 | 63% | 0.633 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 174.9 | -179.9 | -88.3 | 0 | 0 | 0 | 111.7 | M956 R957 L958 E962 E963 Q964 | M956-W960 VanDerWaalsContact O-CB 3.23Å; M956-W960 WeakPolarHBondContact O-CB 3.36Å; M956-W960 PolarHBondContact O-N 3.38Å; R957-W960 WeakPolarHBondContact O-CB 3.3Å; R957-W960 PolarHBondContact O-N 3.45Å; L958-W960 VanDerWaalsContact C-N 3.3Å; L958-W960 PolarHBondContact O-N 2.74Å; W960-E962 VanDerWaalsContact C-N 3.35Å; W960-E962 PolarHBondContact O-N 2.83Å; W960-E963 PolarHBondContact O-N 3.34Å; W960-Q964 WeakPolarHBondContact O-CB 3.25Å; W960-Q964 PolarHBondContact O-N 3.32Å |
| 961 | D | 88.6 | Confident | 86.2 | Confident | 75 Ų | 75 | 111.4 Ų | 111.4 | 40% | 0.401 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.8 | -72.1 | -19.2 | 0 | 0 | 0 | 111.5 | R957 L958 K965 | R957-D961 WeakPolarHBondContact O-CB 3.43Å; R957-D961 VanDerWaalsContact O-CG 3.24Å; R957-D961 PolarHBondContact O-N 3.29Å; L958-D961 PolarHBondContact O-N 3.17Å; D961-K965 VanDerWaalsContact O-CB 3.28Å; D961-K965 WeakPolarHBondContact O-CB 3.49Å; D961-K965 PolarHBondContact O-N 3.38Å |
| 962 | E | 85.2 | Confident | 85.9 | Confident | 123 Ų | 123 | 106.4 Ų | 106.4 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -47.1 | 173.8 | -77.5 | -175.6 | 174.3 | 0 | 0 | 112.6 | L958 N959 W960 Q964 K965 L966 | L958-E962 PolarHBondContact O-N 3.17Å; N959-E962 PolarHBondContact O-N 3.35Å; W960-E962 VanDerWaalsContact C-N 3.35Å; W960-E962 PolarHBondContact O-N 2.83Å; E962-Q964 VanDerWaalsContact C-N 3.32Å; E962-Q964 PolarHBondContact O-N 3.4Å; E962-K965 WeakPolarHBondContact O-CB 3.39Å; E962-K965 PolarHBondContact O-N 2.73Å; E962-K965 VanDerWaalsContact O-N 3.16Å; E962-L966 WeakPolarHBondContact O-CG 3.47Å; E962-L966 PolarHBondContact O-N 2.82Å |
| 963 | E | 85 | Confident | 85.6 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.3 | -170.2 | 171 | -164.6 | 0 | 0 | 110.5 | N959 W960 K965 L966 L967 | N959-E963 WeakPolarHBondContact O-CB 3.23Å; N959-E963 PolarHBondContact O-N 3.28Å; W960-E963 PolarHBondContact O-N 3.34Å; E963-K965 VanDerWaalsContact C-N 3.32Å; E963-K965 PolarHBondContact O-N 3.32Å; E963-L966 PolarHBondContact O-N 3.44Å; E963-L967 HydrophobicContact CG-CD1 4.38Å; E963-L967 WeakPolarHBondContact O-CB 3.34Å; E963-L967 VanDerWaalsContact O-CG 3.27Å; E963-L967 WeakPolarHBondContact O-CG 3.49Å; E963-L967 PolarHBondContact O-N 3.18Å |
| 964 | Q | 85.5 | Confident | 85 | Confident | 95 Ų | 95 | 102 Ų | 102 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 174.2 | -156.6 | -158.4 | -27.7 | 0 | 0 | 111.4 | W960 E962 I968 | W960-Q964 WeakPolarHBondContact O-CB 3.25Å; W960-Q964 PolarHBondContact O-N 3.32Å; E962-Q964 VanDerWaalsContact C-N 3.32Å; E962-Q964 PolarHBondContact O-N 3.4Å; Q964-I968 HydrophobicContact CG-CD1 4.33Å; Q964-I968 WeakPolarHBondContact O-CB 3.42Å; Q964-I968 WeakPolarHBondContact O-CD1 3.43Å; Q964-I968 WeakPolarHBondContact O-CG1 3.3Å; Q964-I968 PolarHBondContact O-N 3.37Å |
| 965 | K | 87.9 | Confident | 84.6 | Confident | 135 Ų | 135 | 104.3 Ų | 104.3 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -44.1 | 175.9 | -169.9 | -177.2 | 177.6 | -175.5 | 0 | 112 | D961 E962 E963 I968 D969 | D961-K965 VanDerWaalsContact O-CB 3.28Å; D961-K965 WeakPolarHBondContact O-CB 3.49Å; D961-K965 PolarHBondContact O-N 3.38Å; E962-K965 WeakPolarHBondContact O-CB 3.39Å; E962-K965 PolarHBondContact O-N 2.73Å; E962-K965 VanDerWaalsContact O-N 3.16Å; E963-K965 VanDerWaalsContact C-N 3.32Å; E963-K965 PolarHBondContact O-N 3.32Å; K965-I968 WeakPolarHBondContact O-CB 3.31Å; K965-I968 PolarHBondContact O-N 3.23Å; K965-D969 WeakPolarHBondContact O-CB 3.24Å; K965-D969 PolarHBondContact O-N 3.41Å |
| 966 | L | 83.6 | Confident | 84.2 | Confident | 117 Ų | 117 | 105.4 Ų | 105.4 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 174.4 | -78.2 | 166 | 0 | 0 | 0 | 111.4 | E962 E963 I968 D969 E970 | E962-L966 WeakPolarHBondContact O-CG 3.47Å; E962-L966 PolarHBondContact O-N 2.82Å; E963-L966 PolarHBondContact O-N 3.44Å; L966-I968 VanDerWaalsContact C-N 3.31Å; L966-I968 PolarHBondContact O-N 3Å; L966-D969 PolarHBondContact O-N 3.1Å; L966-E970 WeakPolarHBondContact O-CB 3.48Å; L966-E970 PolarHBondContact O-N 2.87Å |
| 967 | L | 82.1 | Confident | 83.7 | Confident | 102 Ų | 102 | 104.7 Ų | 104.7 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 175.4 | -72 | 170.2 | 0 | 0 | 0 | 112.1 | E963 R971 | E963-L967 HydrophobicContact CG-CD1 4.38Å; E963-L967 WeakPolarHBondContact O-CB 3.34Å; E963-L967 VanDerWaalsContact O-CG 3.27Å; E963-L967 WeakPolarHBondContact O-CG 3.49Å; E963-L967 PolarHBondContact O-N 3.18Å; L967-R971 WeakPolarHBondContact O-CB 3.4Å; L967-R971 PolarHBondContact O-N 3.44Å |
| 968 | I | 83.5 | Confident | 83.1 | Confident | 55 Ų | 55 | 102.2 Ų | 102.2 | 28% | 0.282 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 173.1 | -75.4 | 164.9 | 0 | 0 | 0 | 111.1 | Q964 K965 L966 R971 D972 | Q964-I968 HydrophobicContact CG-CD1 4.33Å; Q964-I968 WeakPolarHBondContact O-CB 3.42Å; Q964-I968 WeakPolarHBondContact O-CD1 3.43Å; Q964-I968 WeakPolarHBondContact O-CG1 3.3Å; Q964-I968 PolarHBondContact O-N 3.37Å; K965-I968 WeakPolarHBondContact O-CB 3.31Å; K965-I968 PolarHBondContact O-N 3.23Å; L966-I968 VanDerWaalsContact C-N 3.31Å; L966-I968 PolarHBondContact O-N 3Å; I968-R971 PolarHBondContact O-N 3.16Å; I968-D972 VanDerWaalsContact O-CB 3.31Å; I968-D972 WeakPolarHBondContact O-CB 3.44Å; I968-D972 PolarHBondContact O-N 3.21Å |
| 969 | D | 83.6 | Confident | 82.4 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 179.6 | -77.6 | -20.7 | 0 | 0 | 0 | 111.5 | K965 L966 D972 T973 | K965-D969 WeakPolarHBondContact O-CB 3.24Å; K965-D969 PolarHBondContact O-N 3.41Å; L966-D969 PolarHBondContact O-N 3.1Å; D969-D972 PolarHBondContact O-N 3.33Å; D969-T973 WeakPolarHBondContact O-CB 3.18Å; D969-T973 PolarHBondContact O-N 3.07Å; D969-T973 PolarHBondContact O-OG1 2.79Å |
| 970 | E | 81.3 | Confident | 81.6 | Confident | 134 Ų | 134 | 109.3 Ų | 109.3 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 175 | -170.5 | 176.4 | -166.3 | 0 | 0 | 110.8 | L966 D972 T973 A974 | L966-E970 WeakPolarHBondContact O-CB 3.48Å; L966-E970 PolarHBondContact O-N 2.87Å; E970-D972 VanDerWaalsContact C-N 3.29Å; E970-D972 PolarHBondContact O-N 2.83Å; E970-T973 PolarHBondContact O-N 3.37Å; E970-A974 WeakPolarHBondContact O-CB 3.18Å; E970-A974 PolarHBondContact O-N 3.28Å |
| 971 | R | 83 | Confident | 80.9 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 42% | 0.415 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.6 | -42.6 | 171.9 | -179.5 | -155.1 | 72.1 | -163.5 | -2.9 | 111.6 | L967 I968 R975 | L967-R971 WeakPolarHBondContact O-CB 3.4Å; L967-R971 PolarHBondContact O-N 3.44Å; I968-R971 PolarHBondContact O-N 3.16Å; R971-R975 WeakPolarHBondContact O-CB 3.39Å; R971-R975 VanDerWaalsContact O-CG 3.23Å; R971-R975 WeakPolarHBondContact O-CG 3.33Å; R971-R975 PolarHBondContact O-N 3.05Å |
| 972 | D | 82.8 | Confident | 80 | Confident | 52 Ų | 52 | 107.8 Ų | 107.8 | 28% | 0.278 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.4 | -30.1 | -178.7 | -72.9 | -9.4 | 0 | 0 | 0 | 112.4 | I968 D969 E970 R975 K976 | I968-D972 VanDerWaalsContact O-CB 3.31Å; I968-D972 WeakPolarHBondContact O-CB 3.44Å; I968-D972 PolarHBondContact O-N 3.21Å; D969-D972 PolarHBondContact O-N 3.33Å; E970-D972 VanDerWaalsContact C-N 3.29Å; E970-D972 PolarHBondContact O-N 2.83Å; D972-R975 IonicContact OD1-NH1 2.71Å; D972-K976 VanDerWaalsContact O-CG 3.29Å; D972-K976 WeakPolarHBondContact O-CG 3.22Å; D972-K976 PolarHBondContact O-N 3.4Å |
| 973 | T | 81 | Confident | 79.1 | Confident | 74 Ų | 74 | 109.1 Ų | 109.1 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.9 | -48.2 | 172.4 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | D969 E970 R975 K976 E977 | D969-T973 WeakPolarHBondContact O-CB 3.18Å; D969-T973 PolarHBondContact O-N 3.07Å; D969-T973 PolarHBondContact O-OG1 2.79Å; E970-T973 PolarHBondContact O-N 3.37Å; T973-R975 VanDerWaalsContact C-N 3.3Å; T973-R975 PolarHBondContact O-N 3.14Å; T973-K976 CarbonylContact O-C 3.57Å; T973-K976 WeakPolarHBondContact O-CA 3.22Å; T973-K976 WeakPolarHBondContact O-CB 3.48Å; T973-K976 PolarHBondContact O-N 3.46Å; T973-E977 PolarHBondContact O-N 2.71Å |
| 974 | A | 77.4 | Confident | 78 | Confident | 42 Ų | 42 | 106 Ų | 106 | 35% | 0.347 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E970 K976 E977 I978 | E970-A974 WeakPolarHBondContact O-CB 3.18Å; E970-A974 PolarHBondContact O-N 3.28Å; A974-K976 VanDerWaalsContact C-N 3.34Å; A974-K976 PolarHBondContact O-N 2.9Å; A974-E977 PolarHBondContact O-N 3.42Å; A974-I978 WeakPolarHBondContact O-CB 3.09Å; A974-I978 VanDerWaalsContact O-CG1 3.24Å; A974-I978 WeakPolarHBondContact O-CG1 3.21Å; A974-I978 PolarHBondContact O-N 3.08Å |
| 975 | R | 79.6 | Confident | 76.9 | Confident | 138 Ų | 138 | 104.9 Ų | 104.9 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 172.1 | -81.1 | 173.4 | 170.8 | -174 | -2.6 | 112.6 | R971 D972 T973 R979 | R971-R975 WeakPolarHBondContact O-CB 3.39Å; R971-R975 VanDerWaalsContact O-CG 3.23Å; R971-R975 WeakPolarHBondContact O-CG 3.33Å; R971-R975 PolarHBondContact O-N 3.05Å; D972-R975 IonicContact OD1-NH1 2.71Å; T973-R975 VanDerWaalsContact C-N 3.3Å; T973-R975 PolarHBondContact O-N 3.14Å; R975-R979 WeakPolarHBondContact O-CB 3.2Å; R975-R979 PolarHBondContact O-N 2.84Å |
| 976 | K | 79 | Confident | 75.5 | Confident | 142 Ų | 142 | 109 Ų | 109 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.7 | -43.7 | 174.9 | -77.1 | 169.7 | -174.9 | 170.2 | 0 | 111.3 | D972 T973 A974 R979 W980 | D972-K976 VanDerWaalsContact O-CG 3.29Å; D972-K976 WeakPolarHBondContact O-CG 3.22Å; D972-K976 PolarHBondContact O-N 3.4Å; T973-K976 CarbonylContact O-C 3.57Å; T973-K976 WeakPolarHBondContact O-CA 3.22Å; T973-K976 WeakPolarHBondContact O-CB 3.48Å; T973-K976 PolarHBondContact O-N 3.46Å; A974-K976 VanDerWaalsContact C-N 3.34Å; A974-K976 PolarHBondContact O-N 2.9Å; K976-R979 CarbonylContact O-C 3.55Å; K976-R979 PolarHBondContact O-N 3.26Å; K976-W980 VanDerWaalsContact O-CB 3.31Å; K976-W980 WeakPolarHBondContact O-CB 3.47Å; K976-W980 PolarHBondContact O-N 3.4Å |
| 977 | E | 76.7 | Confident | 74.1 | Confident | 120 Ų | 120 | 108.6 Ų | 108.6 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 175.9 | -82.1 | -173.5 | 156 | 0 | 0 | 112.2 | T973 A974 R979 W980 N981 | T973-E977 PolarHBondContact O-N 2.71Å; A974-E977 PolarHBondContact O-N 3.42Å; E977-R979 VanDerWaalsContact C-N 3.28Å; E977-R979 PolarHBondContact O-N 2.7Å; E977-W980 PolarHBondContact O-N 2.88Å; E977-N981 VanDerWaalsContact O-CB 3.3Å; E977-N981 WeakPolarHBondContact O-CB 3.17Å; E977-N981 PolarHBondContact O-N 3.45Å |
| 978 | I | 76 | Confident | 72.4 | Confident | 95 Ų | 95 | 115.2 Ų | 115.2 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 173.5 | -69.1 | 166.8 | 0 | 0 | 0 | 110 | A974 W980 N981 Q982 | A974-I978 WeakPolarHBondContact O-CB 3.09Å; A974-I978 VanDerWaalsContact O-CG1 3.24Å; A974-I978 WeakPolarHBondContact O-CG1 3.21Å; A974-I978 PolarHBondContact O-N 3.08Å; I978-W980 VanDerWaalsContact C-N 3.33Å; I978-W980 PolarHBondContact O-N 2.72Å; I978-N981 PolarHBondContact O-N 2.87Å; I978-Q982 HydrophobicContact CG2-CG 4.36Å; I978-Q982 VanDerWaalsContact O-CB 3.25Å; I978-Q982 WeakPolarHBondContact O-CB 3.15Å; I978-Q982 VanDerWaalsContact O-CG 3.23Å; I978-Q982 WeakPolarHBondContact O-CG 3.11Å; I978-Q982 PolarHBondContact O-N 2.85Å |
| 979 | R | 73.5 | Confident | 71.9 | Confident | 157 Ų | 157 | 118.2 Ų | 118.2 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.1 | -31.4 | 178.3 | -159 | -173 | -56.8 | 179.6 | 2 | 112.4 | R975 K976 E977 K983 | R975-R979 WeakPolarHBondContact O-CB 3.2Å; R975-R979 PolarHBondContact O-N 2.84Å; K976-R979 CarbonylContact O-C 3.55Å; K976-R979 PolarHBondContact O-N 3.26Å; E977-R979 VanDerWaalsContact C-N 3.28Å; E977-R979 PolarHBondContact O-N 2.7Å; R979-K983 WeakPolarHBondContact O-CB 3.14Å; R979-K983 PolarHBondContact O-N 3.06Å; R979-K983 VanDerWaalsContact O-N 3.11Å |
| 980 | W | 71.3 | Confident | 71.2 | Confident | 169 Ų | 169 | 120.2 Ų | 120.2 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.5 | -46.5 | 174.7 | -171.4 | 86.4 | 0 | 0 | 0 | 111.1 | K976 E977 I978 Q982 K983 C984 | K976-W980 VanDerWaalsContact O-CB 3.31Å; K976-W980 WeakPolarHBondContact O-CB 3.47Å; K976-W980 PolarHBondContact O-N 3.4Å; E977-W980 PolarHBondContact O-N 2.88Å; I978-W980 VanDerWaalsContact C-N 3.33Å; I978-W980 PolarHBondContact O-N 2.72Å; W980-Q982 PolarHBondContact O-N 3.5Å; W980-K983 CarbonylContact O-C 3.02Å; W980-K983 WeakPolarHBondContact O-CA 3.46Å; W980-K983 WeakPolarHBondContact O-CB 3.21Å; W980-K983 PolarHBondContact O-N 3.1Å; W980-C984 PolarHBondContact O-N 3.47Å; W980-C984 PolarHBondContact O-SG 3.29Å; W980-C984 VanDerWaalsContact O-SG 3.42Å |
| 981 | N | 72.2 | Confident | 70.7 | Confident | 94 Ų | 94 | 119.4 Ų | 119.4 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.5 | -40.5 | 173.6 | -75.3 | -21 | 0 | 0 | 0 | 111.8 | E977 I978 K983 C984 A985 | E977-N981 VanDerWaalsContact O-CB 3.3Å; E977-N981 WeakPolarHBondContact O-CB 3.17Å; E977-N981 PolarHBondContact O-N 3.45Å; I978-N981 PolarHBondContact O-N 2.87Å; N981-K983 VanDerWaalsContact C-N 3.3Å; N981-K983 PolarHBondContact O-N 3.04Å; N981-C984 PolarHBondContact O-N 3.39Å; N981-A985 WeakPolarHBondContact O-CB 3.27Å; N981-A985 PolarHBondContact O-N 3.32Å |
| 982 | Q | 69.8 | Low | 70 | Confident | 115 Ų | 115 | 119.9 Ų | 119.9 | 54% | 0.537 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.8 | -30.4 | 171.7 | -77.3 | 178.7 | -10.5 | 0 | 0 | 112.8 | I978 W980 R986 | I978-Q982 HydrophobicContact CG2-CG 4.36Å; I978-Q982 VanDerWaalsContact O-CB 3.25Å; I978-Q982 WeakPolarHBondContact O-CB 3.15Å; I978-Q982 VanDerWaalsContact O-CG 3.23Å; I978-Q982 WeakPolarHBondContact O-CG 3.11Å; I978-Q982 PolarHBondContact O-N 2.85Å; W980-Q982 PolarHBondContact O-N 3.5Å; Q982-R986 WeakPolarHBondContact O-CG 3.46Å; Q982-R986 PolarHBondContact O-N 3.22Å |
| 983 | K | 65.7 | Low | 69.2 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.4 | -44.4 | 171.8 | -91.1 | -177.2 | 173.2 | -175.3 | 0 | 111.8 | R979 W980 N981 R986 S987 | R979-K983 WeakPolarHBondContact O-CB 3.14Å; R979-K983 PolarHBondContact O-N 3.06Å; R979-K983 VanDerWaalsContact O-N 3.11Å; W980-K983 CarbonylContact O-C 3.02Å; W980-K983 WeakPolarHBondContact O-CA 3.46Å; W980-K983 WeakPolarHBondContact O-CB 3.21Å; W980-K983 PolarHBondContact O-N 3.1Å; N981-K983 VanDerWaalsContact C-N 3.3Å; N981-K983 PolarHBondContact O-N 3.04Å; K983-R986 PolarHBondContact O-N 3.34Å; K983-S987 PolarHBondContact O-N 2.8Å; K983-S987 VanDerWaalsContact O-N 3.16Å |
| 984 | C | 63.3 | Low | 68.4 | Low | 49 Ų | 49 | 127.5 Ų | 127.5 | 33% | 0.331 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64 | -41.6 | 176.9 | -69.2 | 0 | 0 | 0 | 0 | 111.5 | W980 N981 R986 S987 F988 | W980-C984 PolarHBondContact O-N 3.47Å; W980-C984 PolarHBondContact O-SG 3.29Å; W980-C984 VanDerWaalsContact O-SG 3.42Å; N981-C984 PolarHBondContact O-N 3.39Å; C984-R986 PolarHBondContact O-N 3.33Å; C984-S987 WeakPolarHBondContact O-CB 3.32Å; C984-S987 PolarHBondContact O-N 3.31Å; C984-F988 PolarHBondContact O-N 3.02Å; C984-F988 VanDerWaalsContact O-N 3.07Å |
| 985 | A | 61 | Low | 67.7 | Low | 71 Ų | 71 | 133.6 Ų | 133.6 | 59% | 0.587 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -14.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N981 | N981-A985 WeakPolarHBondContact O-CB 3.27Å; N981-A985 PolarHBondContact O-N 3.32Å |
| 986 | R | 59.9 | Low | 66.8 | Low | 220 Ų | 220 | 133.3 Ų | 133.3 | 83% | 0.83 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -12.9 | 168.4 | -77.8 | -180 | -179.3 | -171.9 | 1.3 | 113 | Q982 K983 C984 | Q982-R986 WeakPolarHBondContact O-CG 3.46Å; Q982-R986 PolarHBondContact O-N 3.22Å; K983-R986 PolarHBondContact O-N 3.34Å; C984-R986 PolarHBondContact O-N 3.33Å |
| 987 | S | 54.4 | Low | 65.8 | Low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -25.5 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | K983 C984 | K983-S987 PolarHBondContact O-N 2.8Å; K983-S987 VanDerWaalsContact O-N 3.16Å; C984-S987 WeakPolarHBondContact O-CB 3.32Å; C984-S987 PolarHBondContact O-N 3.31Å |
| 988 | F | 45.7 | Very low | 64.8 | Low | 240 Ų | 240 | 133.7 Ų | 133.7 | 100% | 1.053 | 64% | 0.635 | S | S | * | * | trans | -77.4 | 0 | 158 | -112.4 | -86.3 | 0 | 0 | 0 | 109.1 | C984 | C984-F988 PolarHBondContact O-N 3.02Å; C984-F988 VanDerWaalsContact O-N 3.07Å |
Retrieved 988 of 988 residues in 353.7 ms
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