| 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 | 33.3 | Very low | 56.6 | Low | 210 Ų | 210 | 105.4 Ų | 105.4 | 100% | 1.034 | 54% | 0.538 | S | S | * | . | 0 | 44.1 | 0 | -74.7 | 174.3 | 168.3 | 0 | 0 | 110.3 | D3 | M1-D3 PolarHBondContact O-N 3.27Š| |||
| 2 | T | 48 | Very low | 57.6 | Low | 109 Ų | 109 | 109.8 Ų | 109.8 | 67% | 0.669 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 6.6 | -153.2 | 37.9 | 0 | 0 | 0 | 0 | 116.3 | W5 | T2-W5 PolarHBondContact O-NE1 3.22Š|
| 3 | D | 53.8 | Low | 58.4 | Low | 66 Ų | 66 | 104.7 Ų | 104.7 | 35% | 0.353 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 10.7 | -167.3 | -82.6 | -27.5 | 0 | 0 | 0 | 115.9 | M1 W5 R6 | M1-D3 PolarHBondContact O-N 3.27Å; D3-W5 PolarHBondContact O-N 3.32Å; D3-W5 VanDerWaalsContact O-N 3.08Å; D3-R6 HydrophobicContact CB-CG 4.39Å; D3-R6 VanDerWaalsContact O-CB 3.29Å; D3-R6 WeakPolarHBondContact O-CB 3.19Å; D3-R6 WeakPolarHBondContact O-CG 3.3Å; D3-R6 PolarHBondContact O-N 3.47Å; D3-R6 IonicContact OD1-CZ 3.74Å; D3-R6 IonicContact OD1-NE 3.88Å; D3-R6 PolarHBondContact OD1-NE 2.8Å; D3-R6 IonicContact OD1-NH1 3.58Å; D3-R6 IonicContact OD1-NH2 3.61Å; D3-R6 PolarHBondContact OD1-NH2 2.84Å; D3-R6 IonicContact OD2-CZ 2.93Å; D3-R6 IonicContact OD2-NE 3.12Å; D3-R6 IonicContact OD2-NH1 3.86Å; D3-R6 PolarHBondContact OD2-NH1 3.16Å; D3-R6 IonicContact OD2-NH2 2.95Å; D3-R6 PolarHBondContact OD2-NH2 3.36Å |
| 4 | D | 54.2 | Low | 59.7 | Low | 125 Ų | 125 | 97.9 Ų | 97.9 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -59.2 | -25.2 | -176.1 | -93.9 | -3.6 | 0 | 0 | 0 | 114.4 | R6 L7 | D4-R6 PolarHBondContact O-N 3.5Å; D4-L7 WeakPolarHBondContact O-CB 3.33Å; D4-L7 PolarHBondContact O-N 2.98Å |
| 5 | W | 60.1 | Low | 61.1 | Low | 39 Ų | 39 | 103.3 Ų | 103.3 | 15% | 0.148 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -65.4 | -20.2 | 176 | 62.8 | -93.9 | 0 | 0 | 0 | 113.1 | T2 D3 L7 L8 L14 V18 L144 P154 | T2-W5 PolarHBondContact O-NE1 3.22Å; D3-W5 PolarHBondContact O-N 3.32Å; D3-W5 VanDerWaalsContact O-N 3.08Å; W5-L7 PolarHBondContact O-N 3.34Å; W5-L8 PolarHBondContact O-N 3.35Å; W5-L14 HydrophobicContact CE3-CD1 4.33Å; W5-L14 HydrophobicContact CE3-CD2 4.5Å; W5-L14 HydrophobicContact CZ3-CD1 3.75Å; W5-L14 HydrophobicContact CZ3-CD2 3.78Å; W5-L14 HydrophobicContact CZ3-CG 4.38Å; W5-V18 HydrophobicContact CH2-CG1 4.31Å; W5-V18 HydrophobicContact CH2-CG2 3.48Å; W5-V18 VanDerWaalsContact CH2-CG2 3.48Å; W5-V18 HydrophobicContact CZ3-CG2 3.97Å; W5-L144 HydrophobicContact CB-CD1 3.95Å; W5-L144 HydrophobicContact CE3-CD1 4.12Å; W5-L144 HydrophobicContact CE3-CD2 4.36Å; W5-P154 HydrophobicContact CH2-CG 4.3Å; W5-P154 HydrophobicContact CZ3-CG 4.47Å |
| 6 | R | 61.9 | Low | 62.5 | Low | 103 Ų | 103 | 101.1 Ų | 101.1 | 39% | 0.389 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -66.2 | -16 | 175.2 | -64.1 | -174.4 | -177 | 164 | 8.3 | 112.9 | D3 D4 L8 C9 L14 | D3-R6 HydrophobicContact CB-CG 4.39Å; D3-R6 VanDerWaalsContact O-CB 3.29Å; D3-R6 WeakPolarHBondContact O-CB 3.19Å; D3-R6 WeakPolarHBondContact O-CG 3.3Å; D3-R6 PolarHBondContact O-N 3.47Å; D3-R6 IonicContact OD1-CZ 3.74Å; D3-R6 IonicContact OD1-NE 3.88Å; D3-R6 PolarHBondContact OD1-NE 2.8Å; D3-R6 IonicContact OD1-NH1 3.58Å; D3-R6 IonicContact OD1-NH2 3.61Å; D3-R6 PolarHBondContact OD1-NH2 2.84Å; D3-R6 IonicContact OD2-CZ 2.93Å; D3-R6 IonicContact OD2-NE 3.12Å; D3-R6 IonicContact OD2-NH1 3.86Å; D3-R6 PolarHBondContact OD2-NH1 3.16Å; D3-R6 IonicContact OD2-NH2 2.95Å; D3-R6 PolarHBondContact OD2-NH2 3.36Å; D4-R6 PolarHBondContact O-N 3.5Å; R6-L8 VanDerWaalsContact C-N 3.32Å; R6-C9 VanDerWaalsContact O-O 3.09Å; R6-L14 HydrophobicContact CB-CD1 4.44Å; R6-L14 HydrophobicContact CG-CD1 4.41Å |
| 7 | L | 59.8 | Low | 63.8 | Low | 145 Ų | 145 | 95.5 Ų | 95.5 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -76 | -17.1 | 178 | -67.3 | 164 | 0 | 0 | 0 | 113.3 | D4 W5 | D4-L7 WeakPolarHBondContact O-CB 3.33Å; D4-L7 PolarHBondContact O-N 2.98Å; W5-L7 PolarHBondContact O-N 3.34Å |
| 8 | L | 59.1 | Low | 64.7 | Low | 118 Ų | 118 | 92.2 Ų | 92.2 | 62% | 0.618 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -87.3 | -19 | -174.7 | -69.8 | 167.4 | 0 | 0 | 0 | 114.2 | W5 R6 L144 | W5-L8 PolarHBondContact O-N 3.35Å; R6-L8 VanDerWaalsContact C-N 3.32Å; L8-L144 HydrophobicContact CD1-CD1 4.28Å |
| 9 | C | 61.9 | Low | 65.2 | Low | 11 Ų | 11 | 88.5 Ų | 88.5 | 7% | 0.074 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -133.7 | 150.8 | -178 | -74.6 | 0 | 0 | 0 | 0 | 110.3 | R6 D13 L14 | R6-C9 VanDerWaalsContact O-O 3.09Å; C9-D13 HydrophobicContact CB-CB 4.22Å; C9-L14 HydrophobicContact CB-CD1 4.22Å; C9-L14 HydrophobicContact CB-CD2 4.06Å; C9-L14 HydrophobicContact CB-CG 3.88Å |
| 10 | S | 64.1 | Low | 65.4 | Low | 51 Ų | 51 | 90.7 Ų | 90.7 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | trans | -67.2 | 155 | 176.1 | 71 | 0 | 0 | 0 | 0 | 110.4 | E12 D13 L14 | S10-E12 PolarHBondContact O-N 2.81Å; S10-D13 PolarHBondContact O-N 3.39Å; S10-D13 VanDerWaalsContact O-N 3.08Å; S10-D13 PolarHBondContact OG-N 2.77Å; S10-D13 PolarHBondContact OG-OD2 2.71Å; S10-L14 PolarHBondContact O-N 2.83Å; S10-L14 VanDerWaalsContact O-N 3.1Å | ||
| 11 | Q | 66.2 | Low | 65.3 | Low | 182 Ų | 182 | 89.3 Ų | 89.3 | 85% | 0.85 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -57.5 | -29.9 | 171.3 | -91.4 | -175.5 | -17.4 | 0 | 0 | 112.1 | L14 R15 | Q11-L14 PolarHBondContact O-N 3.48Å; Q11-R15 PolarHBondContact O-N 3.27Å |
| 12 | E | 68.8 | Low | 66.4 | Low | 159 Ų | 159 | 83.8 Ų | 83.8 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 174.2 | -69.2 | -174.5 | 153.9 | 0 | 0 | 112.3 | S10 L14 R15 | S10-E12 PolarHBondContact O-N 2.81Å; E12-L14 VanDerWaalsContact C-N 3.3Å; E12-L14 PolarHBondContact O-N 2.77Å; E12-R15 WeakPolarHBondContact O-CB 3.33Å; E12-R15 PolarHBondContact O-N 3.48Å |
| 13 | D | 68.1 | Low | 66.8 | Low | 43 Ų | 43 | 81.3 Ų | 81.3 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 177.7 | -68.5 | -22.9 | 0 | 0 | 0 | 111.2 | C9 S10 | C9-D13 HydrophobicContact CB-CB 4.22Å; S10-D13 PolarHBondContact O-N 3.39Å; S10-D13 VanDerWaalsContact O-N 3.08Å; S10-D13 PolarHBondContact OG-N 2.77Å; S10-D13 PolarHBondContact OG-OD2 2.71Å |
| 14 | L | 76.9 | Confident | 67 | Low | 10 Ų | 10 | 80.3 Ų | 80.3 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -85.5 | -14.3 | -177.8 | -69.4 | 178.3 | 0 | 0 | 0 | 114.7 | W5 R6 C9 S10 Q11 E12 Y16 L17 V18 L144 | W5-L14 HydrophobicContact CE3-CD1 4.33Å; W5-L14 HydrophobicContact CE3-CD2 4.5Å; W5-L14 HydrophobicContact CZ3-CD1 3.75Å; W5-L14 HydrophobicContact CZ3-CD2 3.78Å; W5-L14 HydrophobicContact CZ3-CG 4.38Å; R6-L14 HydrophobicContact CB-CD1 4.44Å; R6-L14 HydrophobicContact CG-CD1 4.41Å; C9-L14 HydrophobicContact CB-CD1 4.22Å; C9-L14 HydrophobicContact CB-CD2 4.06Å; C9-L14 HydrophobicContact CB-CG 3.88Å; S10-L14 PolarHBondContact O-N 2.83Å; S10-L14 VanDerWaalsContact O-N 3.1Å; Q11-L14 PolarHBondContact O-N 3.48Å; E12-L14 VanDerWaalsContact C-N 3.3Å; E12-L14 PolarHBondContact O-N 2.77Å; L14-Y16 PolarHBondContact O-N 3.36Å; L14-L17 PolarHBondContact O-N 2.81Å; L14-V18 HydrophobicContact CB-CG2 4Å; L14-V18 HydrophobicContact CD2-CG2 4.35Å; L14-V18 PolarHBondContact O-N 3.38Å; L14-L144 HydrophobicContact CD2-CD2 4.1Å |
| 15 | R | 80.4 | Confident | 67.1 | Low | 178 Ų | 178 | 80.8 Ų | 80.8 | 67% | 0.672 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -30.9 | -176.9 | -176 | 179 | 176.6 | -178.8 | 1.6 | 113.9 | Q11 E12 | Q11-R15 PolarHBondContact O-N 3.27Å; E12-R15 WeakPolarHBondContact O-CB 3.33Å; E12-R15 PolarHBondContact O-N 3.48Å |
| 16 | Y | 83.6 | Confident | 67.5 | Low | 69 Ų | 69 | 82.8 Ų | 82.8 | 27% | 0.271 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.6 | -179 | -59.1 | -73 | 0 | 0 | 0 | 114.1 | L14 M116 P135 | L14-Y16 PolarHBondContact O-N 3.36Å; Y16-M116 WeakPolarHBondContact O-CA 3.35Å; Y16-M116 WeakPolarHBondContact O-CG 3.28Å; Y16-P135 HydrophobicContact CD2-CG 3.73Å; Y16-P135 HydrophobicContact CE2-CG 3.58Å |
| 17 | L | 84.1 | Confident | 67.7 | Low | 6 Ų | 6 | 81.3 Ų | 81.3 | 3% | 0.031 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -28.3 | -178.4 | -66.5 | 174.1 | 0 | 0 | 0 | 112.7 | L14 I136 I141 Y145 P154 | L14-L17 PolarHBondContact O-N 2.81Å; L17-I136 HydrophobicContact CD2-CB 4.24Å; L17-I136 HydrophobicContact CD2-CG2 4.03Å; L17-I136 HydrophobicContact CG-CG2 4.06Å; L17-I141 HydrophobicContact CD1-CD1 3.87Å; L17-I141 HydrophobicContact CD1-CG2 4.31Å; L17-Y145 HydrophobicContact CD1-CE2 4.44Å; L17-P154 HydrophobicContact CB-CB 4.28Å; L17-P154 HydrophobicContact CB-CG 3.96Å; L17-P154 WeakPolarHBondContact O-CB 3.4Å |
| 18 | V | 81.1 | Confident | 68.3 | Low | 36 Ų | 36 | 77.6 Ų | 77.6 | 22% | 0.218 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -118.2 | 131.8 | -169.5 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | W5 L14 P154 | W5-V18 HydrophobicContact CH2-CG1 4.31Å; W5-V18 HydrophobicContact CH2-CG2 3.48Å; W5-V18 VanDerWaalsContact CH2-CG2 3.48Å; W5-V18 HydrophobicContact CZ3-CG2 3.97Å; L14-V18 HydrophobicContact CB-CG2 4Å; L14-V18 HydrophobicContact CD2-CG2 4.35Å; L14-V18 PolarHBondContact O-N 3.38Å; V18-P154 HydrophobicContact CG2-CG 4.26Å |
| 19 | A | 74.4 | Confident | 68.9 | Low | 22 Ų | 22 | 74.9 Ų | 74.9 | 18% | 0.182 | 43% | 0.428 | C | S | . | . | trans | -73.4 | 132.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | S21 K89 M116 | A19-S21 PolarHBondContact O-N 2.82Å; A19-S21 VanDerWaalsContact O-N 3.09Å; A19-S21 PolarHBondContact O-OG 3.45Å; A19-K89 HydrophobicContact CB-CB 4.03Å; A19-K89 HydrophobicContact CB-CD 4.44Å; A19-M116 HydrophobicContact CB-CE 3.98Å; A19-M116 HydrophobicContact CB-SD 4.21Å | ||
| 20 | D | 68.7 | Low | 69.2 | Low | 132 Ų | 132 | 78.1 Ų | 78.1 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | trans | -67.3 | 109.5 | 175.5 | -162 | -10.7 | 0 | 0 | 0 | 110.1 | A22 | D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.39Å | ||
| 21 | S | 62.5 | Low | 69.5 | Low | 62 Ų | 62 | 78.7 Ų | 78.7 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -78.5 | -13 | -170.8 | -44.4 | 0 | 0 | 0 | 0 | 113 | A19 G23 L24 | A19-S21 PolarHBondContact O-N 2.82Å; A19-S21 VanDerWaalsContact O-N 3.09Å; A19-S21 PolarHBondContact O-OG 3.45Å; S21-G23 PolarHBondContact O-N 2.76Å; S21-G23 VanDerWaalsContact O-N 3.14Å; S21-L24 PolarHBondContact O-N 2.75Å |
| 22 | A | 56.5 | Low | 69.9 | Low | 94 Ų | 94 | 74.1 Ų | 74.1 | 78% | 0.777 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114.6 | D20 | D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.39Å |
| 23 | G | 57.2 | Low | 70.3 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 58% | 0.577 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -105.8 | -13.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | S21 N25 | S21-G23 PolarHBondContact O-N 2.76Å; S21-G23 VanDerWaalsContact O-N 3.14Å; G23-N25 PolarHBondContact O-N 3.29Å |
| 24 | L | 56.9 | Low | 70.5 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.7 | -171.3 | -79.7 | 155.3 | 0 | 0 | 0 | 113.8 | S21 P85 D88 | S21-L24 PolarHBondContact O-N 2.75Å; L24-P85 WeakPolarHBondContact CD2-O 3.49Å; L24-D88 HydrophobicContact CD2-CB 3.63Å; L24-D88 VanDerWaalsContact CD2-O 3.29Å; L24-D88 WeakPolarHBondContact CD2-O 3.44Å |
| 25 | N | 57.8 | Low | 70.4 | Confident | 135 Ų | 135 | 78.3 Ų | 78.3 | 72% | 0.722 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 14.5 | -179.7 | -76.7 | -21.9 | 0 | 0 | 0 | 113.5 | G23 A27 | G23-N25 PolarHBondContact O-N 3.29Å; N25-A27 PolarHBondContact O-N 2.78Å; N25-A27 VanDerWaalsContact O-N 3.11Å |
| 26 | D | 66.6 | Low | 69.9 | Low | 81 Ų | 81 | 75.2 Ų | 75.2 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | trans | -67.4 | 112.5 | 176.2 | -172.3 | -0.5 | 0 | 0 | 0 | 110.7 | S28 V29 | D26-S28 PolarHBondContact O-N 3.41Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 WeakPolarHBondContact OD1-CB 3.3Å; D26-S28 PolarHBondContact OD1-N 2.62Å; D26-S28 PolarHBondContact OD1-OG 3.25Å; D26-S28 PolarHBondContact OD2-OG 2.83Å; D26-V29 HydrophobicContact CB-CG2 4.14Å; D26-V29 PolarHBondContact O-N 2.83Å | ||
| 27 | A | 66.5 | Low | 69.7 | Low | 71 Ų | 71 | 78.8 Ų | 78.8 | 59% | 0.587 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.2 | -23.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N25 S31 | N25-A27 PolarHBondContact O-N 2.78Å; N25-A27 VanDerWaalsContact O-N 3.11Å; A27-S31 PolarHBondContact O-N 2.86Å |
| 28 | S | 72.9 | Confident | 69.8 | Low | 68 Ų | 68 | 79.6 Ų | 79.6 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 178.9 | 82.1 | 0 | 0 | 0 | 0 | 112 | D26 Q30 S31 E32 | D26-S28 PolarHBondContact O-N 3.41Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 WeakPolarHBondContact OD1-CB 3.3Å; D26-S28 PolarHBondContact OD1-N 2.62Å; D26-S28 PolarHBondContact OD1-OG 3.25Å; D26-S28 PolarHBondContact OD2-OG 2.83Å; S28-Q30 VanDerWaalsContact C-N 3.3Å; S28-Q30 PolarHBondContact O-N 3.43Å; S28-S31 WeakPolarHBondContact O-CB 3.44Å; S28-S31 PolarHBondContact O-N 2.77Å; S28-E32 PolarHBondContact O-N 3.41Å |
| 29 | V | 71.6 | Confident | 70.1 | Confident | 60 Ų | 60 | 78.6 Ų | 78.6 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | -178.4 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | D26 E32 W33 P85 | D26-V29 HydrophobicContact CB-CG2 4.14Å; D26-V29 PolarHBondContact O-N 2.83Å; V29-E32 PolarHBondContact O-N 3.49Å; V29-W33 PolarHBondContact O-N 3.42Å; V29-P85 HydrophobicContact CG1-CB 3.89Å; V29-P85 HydrophobicContact CG1-CG 3.79Å |
| 30 | Q | 69 | Low | 70.9 | Confident | 79 Ų | 79 | 78.4 Ų | 78.4 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.7 | -35.7 | 177.6 | -151.4 | 162.3 | 30.2 | 0 | 0 | 112.5 | S28 A34 | S28-Q30 VanDerWaalsContact C-N 3.3Å; S28-Q30 PolarHBondContact O-N 3.43Å; Q30-A34 PolarHBondContact O-N 2.75Å |
| 31 | S | 69.6 | Low | 71.9 | Confident | 64 Ų | 64 | 72.3 Ų | 72.3 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69 | -39.9 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | A27 S28 A34 K35 | A27-S31 PolarHBondContact O-N 2.86Å; S28-S31 WeakPolarHBondContact O-CB 3.44Å; S28-S31 PolarHBondContact O-N 2.77Å; S31-A34 PolarHBondContact O-N 3.4Å; S31-K35 PolarHBondContact O-N 2.82Å |
| 32 | E | 74.2 | Confident | 73.1 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 40% | 0.397 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 178.3 | -171.4 | 172.8 | -170.8 | 0 | 0 | 112.5 | S28 V29 A34 K35 R36 | S28-E32 PolarHBondContact O-N 3.41Å; V29-E32 PolarHBondContact O-N 3.49Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 2.85Å; E32-K35 PolarHBondContact O-N 2.85Å; E32-R36 HydrophobicContact CG-CG 4.41Å; E32-R36 WeakPolarHBondContact O-CB 3.36Å; E32-R36 PolarHBondContact O-N 2.87Å; E32-R36 IonicContact OE1-CZ 2.75Å; E32-R36 IonicContact OE1-NE 3.33Å; E32-R36 PolarHBondContact OE1-NE 3.19Å; E32-R36 IonicContact OE1-NH1 3.25Å; E32-R36 PolarHBondContact OE1-NH1 3.31Å; E32-R36 IonicContact OE1-NH2 3.41Å; E32-R36 PolarHBondContact OE1-NH2 3.35Å |
| 33 | W | 77.3 | Confident | 74.5 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 174.6 | 169.1 | 86.6 | 0 | 0 | 0 | 112.2 | V29 L38 M82 N83 P84 P85 | V29-W33 PolarHBondContact O-N 3.42Å; W33-L38 HydrophobicContact CB-CD1 4.36Å; W33-M82 WeakPolarHBondContact CZ2-O 3.28Å; W33-M82 PolarHBondContact NE1-O 3.37Å; W33-N83 PolarHBondContact NE1-O 2.82Å; W33-P84 HydrophobicContact CH2-CG 3.85Å; W33-P84 HydrophobicContact CZ2-CG 3.93Å; W33-P84 HydrophobicContact CZ3-CG 4.29Å; W33-P85 HydrophobicContact CB-CG 4.12Å; W33-P85 HydrophobicContact CG-CG 4.41Å |
| 34 | A | 71.9 | Confident | 75.8 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 51% | 0.512 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q30 S31 E32 | Q30-A34 PolarHBondContact O-N 2.75Å; S31-A34 PolarHBondContact O-N 3.4Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 2.85Å |
| 35 | K | 75 | Confident | 77 | Confident | 175 Ų | 175 | 79.3 Ų | 79.3 | 76% | 0.761 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67 | -40 | 178.9 | -87.4 | -176.7 | 175.8 | 178.9 | 0 | 113.3 | S31 E32 | S31-K35 PolarHBondContact O-N 2.82Å; E32-K35 PolarHBondContact O-N 2.85Å |
| 36 | R | 71.3 | Confident | 78.2 | Confident | 114 Ų | 114 | 77 Ų | 77 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -86.9 | -1.7 | -171.7 | -71.7 | -174.5 | 172.7 | -172.1 | -2.4 | 114.8 | E32 L38 S52 | E32-R36 HydrophobicContact CG-CG 4.41Å; E32-R36 WeakPolarHBondContact O-CB 3.36Å; E32-R36 PolarHBondContact O-N 2.87Å; E32-R36 IonicContact OE1-CZ 2.75Å; E32-R36 IonicContact OE1-NE 3.33Å; E32-R36 PolarHBondContact OE1-NE 3.19Å; E32-R36 IonicContact OE1-NH1 3.25Å; E32-R36 PolarHBondContact OE1-NH1 3.31Å; E32-R36 IonicContact OE1-NH2 3.41Å; E32-R36 PolarHBondContact OE1-NH2 3.35Å; R36-L38 VanDerWaalsContact C-N 3.27Å; R36-L38 HydrophobicContact CB-CD2 3.9Å; R36-L38 HydrophobicContact CB-CG 3.94Å; R36-L38 PolarHBondContact O-N 3.48Å; R36-S52 WeakPolarHBondContact O-CB 3.35Å |
| 37 | R | 79.7 | Confident | 79.2 | Confident | 143 Ų | 143 | 73.6 Ų | 73.6 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 54 | -174.7 | -62.6 | -177.5 | 75.7 | -163.3 | -1 | 111.1 | V53 E56 | R37-V53 HydrophobicContact CB-CB 4.32Å; R37-V53 PolarHBondContact O-N 2.82Å; R37-E56 IonicContact CZ-OE1 3.05Å; R37-E56 IonicContact NH1-OE1 2.94Å; R37-E56 PolarHBondContact NH1-OE1 3.47Å; R37-E56 IonicContact NH2-OE1 2.66Å; R37-E56 PolarHBondContact NH2-OE1 3.28Å |
| 38 | L | 84.8 | Confident | 80.3 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 136.4 | -174.8 | -66.1 | 175.2 | 0 | 0 | 0 | 111.9 | W33 R36 A51 Q66 M82 | W33-L38 HydrophobicContact CB-CD1 4.36Å; R36-L38 VanDerWaalsContact C-N 3.27Å; R36-L38 HydrophobicContact CB-CD2 3.9Å; R36-L38 HydrophobicContact CB-CG 3.94Å; R36-L38 PolarHBondContact O-N 3.48Å; L38-A51 WeakPolarHBondContact CA-O 3.21Å; L38-Q66 HydrophobicContact CD2-CG 3.83Å; L38-M82 HydrophobicContact CB-CB 4.37Å; L38-M82 HydrophobicContact CB-SD 3.59Å; L38-M82 VanDerWaalsContact CB-SD 3.59Å; L38-M82 HydrophobicContact CD1-SD 3.99Å; L38-M82 HydrophobicContact CG-SD 4.4Å; L38-M82 VanDerWaalsContact O-CB 3.32Å; L38-M82 WeakPolarHBondContact O-CB 3.27Å |
| 39 | V | 88.1 | Confident | 81.1 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 164.5 | 179.8 | -65 | 0 | 0 | 0 | 0 | 110.4 | S50 A51 V53 V63 V79 | V39-S50 CarbonylContact O-C 3.54Å; V39-S50 WeakPolarHBondContact O-CA 3.48Å; V39-A51 HydrophobicContact CG2-CB 4.36Å; V39-A51 WeakPolarHBondContact CG2-O 3.39Å; V39-A51 PolarHBondContact N-O 2.79Å; V39-A51 PolarHBondContact O-N 3.31Å; V39-V53 HydrophobicContact CB-CG2 4.44Å; V39-V53 HydrophobicContact CG1-CG2 3.81Å; V39-V53 HydrophobicContact CG2-CG2 3.72Å; V39-V63 HydrophobicContact CG2-CG1 4.31Å; V39-V79 HydrophobicContact CB-CG1 3.47Å; V39-V79 VanDerWaalsContact CB-CG1 3.47Å; V39-V79 HydrophobicContact CG1-CG1 3.76Å; V39-V79 HydrophobicContact CG2-CG1 3.55Å |
| 40 | W | 90.4 | Very high | 82 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 137.5 | 171.8 | -63.5 | 115.2 | 0 | 0 | 0 | 110 | F48 V49 Q80 M82 A102 H106 | W40-F48 HydrophobicContact CE3-CB 4.48Å; W40-V49 WeakPolarHBondContact CA-O 3.37Å; W40-V49 VanDerWaalsContact CE3-C 3.47Å; W40-Q80 HydrophobicContact CB-CB 4.14Å; W40-Q80 PolarHBondContact N-O 2.84Å; W40-Q80 PolarHBondContact O-N 3.5Å; W40-M82 HydrophobicContact CH2-CE 4.28Å; W40-M82 HydrophobicContact CZ2-CE 3.96Å; W40-M82 HydrophobicContact CZ2-CG 4.01Å; W40-M82 HydrophobicContact CZ2-SD 4.37Å; W40-A102 HydrophobicContact CB-CB 3.49Å; W40-A102 VanDerWaalsContact CB-CB 3.49Å; W40-A102 HydrophobicContact CD2-CB 3.92Å; W40-A102 HydrophobicContact CG-CB 3.38Å; W40-H106 HydrophobicContact CH2-CB 4.13Å; W40-H106 AromaticContact CH2-CG 3.82Å; W40-H106 AromaticContact CH2-ND1 3.7Å; W40-H106 HydrophobicContact CZ2-CB 3.94Å; W40-H106 AromaticContact CZ2-CG 3.76Å |
| 41 | V | 90 | Very high | 83 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.8 | 174.8 | -79.9 | 0 | 0 | 0 | 0 | 111.2 | F48 V49 A51 V63 L65 V74 V79 | V41-F48 VanDerWaalsContact O-CA 3.29Å; V41-F48 WeakPolarHBondContact O-CA 3.29Å; V41-V49 HydrophobicContact CG2-CG2 3.83Å; V41-V49 WeakPolarHBondContact CG2-O 3.43Å; V41-V49 PolarHBondContact N-O 3.5Å; V41-V49 PolarHBondContact O-N 2.81Å; V41-A51 HydrophobicContact CG1-CB 4.44Å; V41-A51 HydrophobicContact CG2-CB 3.62Å; V41-V63 HydrophobicContact CG1-CG2 4.2Å; V41-L65 HydrophobicContact CG2-CD2 3.63Å; V41-V74 HydrophobicContact CG1-CG1 4.3Å; V41-V74 HydrophobicContact CG1-CG2 4.28Å; V41-V79 HydrophobicContact CG1-CG2 3.94Å |
| 42 | P | 88 | Confident | 83.9 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 144.9 | 178.4 | -21.9 | 32.5 | 0 | 0 | 0 | 112.5 | G47 F48 D78 | P42-G47 CarbonylContact C-O 3.58Å; P42-G47 WeakPolarHBondContact CA-O 3.24Å; P42-F48 HydrophobicContact CB-CE1 4.4Å; P42-F48 HydrophobicContact CG-CE1 4.09Å; P42-D78 WeakPolarHBondContact CD-O 3.24Å; P42-D78 HydrophobicContact CG-CB 4.16Å |
| 43 | H | 86.2 | Confident | 84.5 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 131.8 | 178.7 | -168.1 | -69.8 | 0 | 0 | 0 | 110.9 | T45 H46 G47 V49 | H43-T45 PolarHBondContact CE1-OG1 2.76Å; H43-T45 PolarHBondContact ND1-N 2.81Å; H43-T45 VanDerWaalsContact ND1-N 3.19Å; H43-T45 PolarHBondContact ND1-OG1 3.39Å; H43-T45 PolarHBondContact O-N 2.97Å; H43-H46 HydrophobicContact CB-CB 4.34Å; H43-H46 AromaticContact CE1-CD2 3.89Å; H43-H46 AromaticContact ND1-CD2 3.96Å; H43-H46 PolarHBondContact ND1-N 2.91Å; H43-G47 PolarHBondContact N-O 3.34Å; H43-G47 CarbonylContact O-C 3.59Å; H43-G47 WeakPolarHBondContact O-CA 3.26Å; H43-G47 PolarHBondContact O-N 3.5Å; H43-V49 HydrophobicContact CB-CB 4.47Å; H43-V49 HydrophobicContact CB-CG1 3.8Å; H43-V49 HydrophobicContact CB-CG2 4Å |
| 44 | E | 83.2 | Confident | 85 | Confident | 185 Ų | 185 | 58.7 Ų | 58.7 | 86% | 0.864 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -46 | -174.3 | -65.8 | -178.1 | 169.2 | 0 | 0 | 113.4 | ||
| 45 | T | 83.3 | Confident | 85.6 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -31.5 | -177.9 | 61.8 | 0 | 0 | 0 | 0 | 115 | H43 | H43-T45 PolarHBondContact CE1-OG1 2.76Å; H43-T45 PolarHBondContact ND1-N 2.81Å; H43-T45 VanDerWaalsContact ND1-N 3.19Å; H43-T45 PolarHBondContact ND1-OG1 3.39Å; H43-T45 PolarHBondContact O-N 2.97Å |
| 46 | H | 83.7 | Confident | 86 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -2 | -173.1 | -68.4 | -50.2 | 0 | 0 | 0 | 113.3 | H43 F48 V49 S695 | H43-H46 HydrophobicContact CB-CB 4.34Å; H43-H46 AromaticContact CE1-CD2 3.89Å; H43-H46 AromaticContact ND1-CD2 3.96Å; H43-H46 PolarHBondContact ND1-N 2.91Å; H46-F48 PolarHBondContact O-N 2.81Å; H46-V49 HydrophobicContact CB-CG1 3.77Å; H46-S695 WeakPolarHBondContact O-CB 3.14Å; H46-S695 PolarHBondContact O-OG 2.7Å |
| 47 | G | 86.8 | Confident | 86.5 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.7 | -64.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111 | P42 H43 | P42-G47 CarbonylContact C-O 3.58Å; P42-G47 WeakPolarHBondContact CA-O 3.24Å; H43-G47 PolarHBondContact N-O 3.34Å; H43-G47 CarbonylContact O-C 3.59Å; H43-G47 WeakPolarHBondContact O-CA 3.26Å; H43-G47 PolarHBondContact O-N 3.5Å |
| 48 | F | 90.2 | Very high | 86.5 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 10% | 0.101 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.2 | 175.6 | -66.6 | -86.9 | 0 | 0 | 0 | 111 | W40 V41 P42 H46 E101 A102 L105 L699 | W40-F48 HydrophobicContact CE3-CB 4.48Å; V41-F48 VanDerWaalsContact O-CA 3.29Å; V41-F48 WeakPolarHBondContact O-CA 3.29Å; P42-F48 HydrophobicContact CB-CE1 4.4Å; P42-F48 HydrophobicContact CG-CE1 4.09Å; H46-F48 PolarHBondContact O-N 2.81Å; F48-E101 HydrophobicContact CE2-CB 4.03Å; F48-E101 HydrophobicContact CZ-CB 4.3Å; F48-A102 HydrophobicContact CB-CB 3.78Å; F48-A102 HydrophobicContact CD1-CB 3.89Å; F48-A102 HydrophobicContact CD2-CB 3.93Å; F48-A102 HydrophobicContact CE1-CB 4.47Å; F48-A102 HydrophobicContact CG-CB 3.59Å; F48-L105 HydrophobicContact CD2-CD2 4.35Å; F48-L699 HydrophobicContact CD2-CD1 3.89Å; F48-L699 HydrophobicContact CD2-CD2 4.26Å; F48-L699 HydrophobicContact CE2-CD1 3.76Å; F48-L699 HydrophobicContact CE2-CD2 3.88Å |
| 49 | V | 89.6 | Confident | 86.3 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 155.5 | 176.1 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | W40 V41 H43 H46 L65 | W40-V49 WeakPolarHBondContact CA-O 3.37Å; W40-V49 VanDerWaalsContact CE3-C 3.47Å; V41-V49 HydrophobicContact CG2-CG2 3.83Å; V41-V49 WeakPolarHBondContact CG2-O 3.43Å; V41-V49 PolarHBondContact N-O 3.5Å; V41-V49 PolarHBondContact O-N 2.81Å; H43-V49 HydrophobicContact CB-CB 4.47Å; H43-V49 HydrophobicContact CB-CG1 3.8Å; H43-V49 HydrophobicContact CB-CG2 4Å; H46-V49 HydrophobicContact CB-CG1 3.77Å; V49-L65 HydrophobicContact CG2-CD2 3.42Å; V49-L65 VanDerWaalsContact CG2-CD2 3.42Å |
| 50 | S | 89.6 | Confident | 86 | Confident | 20 Ų | 20 | 63 Ų | 63 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.7 | 179.7 | 55 | 0 | 0 | 0 | 0 | 110.8 | V39 Q66 | V39-S50 CarbonylContact O-C 3.54Å; V39-S50 WeakPolarHBondContact O-CA 3.48Å; S50-Q66 WeakPolarHBondContact O-CB 3.29Å; S50-Q66 PolarHBondContact O-N 2.71Å; S50-Q66 WeakPolarHBondContact OG-CB 3.44Å |
| 51 | A | 89.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L38 V39 V41 V63 E64 L65 | L38-A51 WeakPolarHBondContact CA-O 3.21Å; V39-A51 HydrophobicContact CG2-CB 4.36Å; V39-A51 WeakPolarHBondContact CG2-O 3.39Å; V39-A51 PolarHBondContact N-O 2.79Å; V39-A51 PolarHBondContact O-N 3.31Å; V41-A51 HydrophobicContact CG1-CB 4.44Å; V41-A51 HydrophobicContact CG2-CB 3.62Å; A51-V63 HydrophobicContact CB-CB 4.06Å; A51-E64 CarbonylContact C-O 3.43Å; A51-E64 WeakPolarHBondContact CA-O 3.17Å; A51-E64 WeakPolarHBondContact CB-O 3.45Å; A51-L65 HydrophobicContact CB-CD2 4.22Å |
| 52 | S | 89.5 | Confident | 85.7 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.4 | 170.7 | 25.2 | 0 | 0 | 0 | 0 | 110.3 | R36 L54 V63 E64 | R36-S52 WeakPolarHBondContact O-CB 3.35Å; S52-L54 PolarHBondContact O-N 3.4Å; S52-V63 CarbonylContact O-C 3.56Å; S52-V63 WeakPolarHBondContact O-CA 3.33Å; S52-E64 PolarHBondContact N-O 3.36Å; S52-E64 PolarHBondContact O-N 2.97Å; S52-E64 PolarHBondContact OG-O 3.37Å; S52-E64 PolarHBondContact OG-OE2 3.29Å |
| 53 | V | 87.4 | Confident | 85.8 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 115.6 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | R37 V39 L61 V63 | R37-V53 HydrophobicContact CB-CB 4.32Å; R37-V53 PolarHBondContact O-N 2.82Å; V39-V53 HydrophobicContact CB-CG2 4.44Å; V39-V53 HydrophobicContact CG1-CG2 3.81Å; V39-V53 HydrophobicContact CG2-CG2 3.72Å; V53-L61 HydrophobicContact CG1-CD2 3.93Å; V53-V63 HydrophobicContact CG2-CG1 4.24Å |
| 54 | L | 87.4 | Confident | 85.9 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -47.7 | 177.2 | -66.2 | 179.2 | 0 | 0 | 0 | 111.9 | S52 L62 E64 T71 | S52-L54 PolarHBondContact O-N 3.4Å; L54-L62 HydrophobicContact CB-CD2 4.2Å; L54-L62 HydrophobicContact CD1-CD2 4.19Å; L54-L62 PolarHBondContact N-O 3.31Å; L54-E64 HydrophobicContact CD1-CB 3.86Å; L54-E64 HydrophobicContact CD2-CB 4.32Å; L54-E64 HydrophobicContact CG-CB 3.96Å; L54-T71 HydrophobicContact CD1-CG2 3.56Å |
| 55 | Q | 84.3 | Confident | 86.2 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 137.6 | -174.4 | -162.2 | 177.8 | 24.3 | 0 | 0 | 111.7 | L62 | Q55-L62 HydrophobicContact CB-CB 4.07Å; Q55-L62 HydrophobicContact CB-CD2 4.34Å; Q55-L62 PolarHBondContact N-O 2.73Å; Q55-L62 PolarHBondContact O-N 2.87Å |
| 56 | E | 83.6 | Confident | 86.2 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.1 | 170.8 | -88 | 165.4 | -144.7 | 0 | 0 | 109.9 | R37 L61 | R37-E56 IonicContact CZ-OE1 3.05Å; R37-E56 IonicContact NH1-OE1 2.94Å; R37-E56 PolarHBondContact NH1-OE1 3.47Å; R37-E56 IonicContact NH2-OE1 2.66Å; R37-E56 PolarHBondContact NH2-OE1 3.28Å; E56-L61 HydrophobicContact CB-CD2 4.26Å; E56-L61 HydrophobicContact CG-CD2 3.2Å |
| 57 | R | 80.8 | Confident | 86 | Confident | 159 Ų | 159 | 54 Ų | 54 | 60% | 0.6 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 74.6 | 177.7 | -70.4 | -171.4 | -179.3 | -170 | 1.1 | 110.8 | D59 E60 | R57-D59 PolarHBondContact O-N 2.69Å; R57-E60 CarbonylContact C-O 3.56Å; R57-E60 WeakPolarHBondContact CA-O 3.38Å; R57-E60 PolarHBondContact N-O 3.33Å; R57-E60 PolarHBondContact O-N 2.68Å |
| 58 | G | 79.8 | Confident | 85.8 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 72% | 0.722 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -119.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E60 | G58-E60 VanDerWaalsContact C-N 3.28Š|
| 59 | D | 80.4 | Confident | 85.4 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6 | 176.1 | -82 | 6.7 | 0 | 0 | 0 | 112.9 | R57 K76 K1409 | R57-D59 PolarHBondContact O-N 2.69Å; D59-K76 VanDerWaalsContact O-CB 3.27Å; D59-K76 WeakPolarHBondContact O-CB 3.18Å; D59-K76 PolarHBondContact O-N 3.44Å; D59-K1409 IonicContact OD2-NZ 3.57Å; D59-K1409 PolarHBondContact OD2-NZ 2.75Å |
| 60 | E | 83.5 | Confident | 85.2 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145.5 | -179.2 | -66.5 | -177.8 | 172.2 | 0 | 0 | 112.6 | R57 G58 T73 | R57-E60 CarbonylContact C-O 3.56Å; R57-E60 WeakPolarHBondContact CA-O 3.38Å; R57-E60 PolarHBondContact N-O 3.33Å; R57-E60 PolarHBondContact O-N 2.68Å; G58-E60 VanDerWaalsContact C-N 3.28Å; E60-T73 HydrophobicContact CB-CG2 3.86Å; E60-T73 HydrophobicContact CG-CG2 4.33Å; E60-T73 WeakPolarHBondContact OE2-CG2 3.36Å |
| 61 | L | 84.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.8 | 176.2 | -72.3 | 168.7 | 0 | 0 | 0 | 110 | V53 E56 V63 T73 V74 K76 V79 | V53-L61 HydrophobicContact CG1-CD2 3.93Å; E56-L61 HydrophobicContact CB-CD2 4.26Å; E56-L61 HydrophobicContact CG-CD2 3.2Å; L61-V63 HydrophobicContact CB-CG1 4.16Å; L61-T73 WeakPolarHBondContact O-CA 3.21Å; L61-V74 PolarHBondContact N-O 3.45Å; L61-V74 PolarHBondContact O-N 2.86Å; L61-K76 HydrophobicContact CD1-CB 4.3Å; L61-K76 HydrophobicContact CD1-CG 4.2Å; L61-K76 HydrophobicContact CG-CB 4.44Å; L61-V79 HydrophobicContact CB-CG2 4.45Å; L61-V79 HydrophobicContact CD1-CB 3.8Å; L61-V79 HydrophobicContact CD1-CG1 4Å; L61-V79 HydrophobicContact CD1-CG2 3.6Å |
| 62 | L | 89.5 | Confident | 84.9 | Confident | 38 Ų | 38 | 71 Ų | 71 | 20% | 0.199 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113.4 | 166 | -165.8 | 85.5 | 0 | 0 | 0 | 108.3 | L54 Q55 | L54-L62 HydrophobicContact CB-CD2 4.2Å; L54-L62 HydrophobicContact CD1-CD2 4.19Å; L54-L62 PolarHBondContact N-O 3.31Å; Q55-L62 HydrophobicContact CB-CB 4.07Å; Q55-L62 HydrophobicContact CB-CD2 4.34Å; Q55-L62 PolarHBondContact N-O 2.73Å; Q55-L62 PolarHBondContact O-N 2.87Å |
| 63 | V | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 147.1 | -175 | -71.9 | 0 | 0 | 0 | 0 | 110.8 | V39 V41 A51 S52 V53 L61 T71 L72 V74 | V39-V63 HydrophobicContact CG2-CG1 4.31Å; V41-V63 HydrophobicContact CG1-CG2 4.2Å; A51-V63 HydrophobicContact CB-CB 4.06Å; S52-V63 CarbonylContact O-C 3.56Å; S52-V63 WeakPolarHBondContact O-CA 3.33Å; V53-V63 HydrophobicContact CG2-CG1 4.24Å; L61-V63 HydrophobicContact CB-CG1 4.16Å; V63-T71 CarbonylContact O-C 3.57Å; V63-T71 VanDerWaalsContact O-CA 3.29Å; V63-T71 WeakPolarHBondContact O-CA 3.37Å; V63-L72 HydrophobicContact CG2-CB 4.24Å; V63-L72 VanDerWaalsContact CG2-O 3.24Å; V63-L72 WeakPolarHBondContact CG2-O 3.18Å; V63-L72 PolarHBondContact N-O 3.38Å; V63-L72 PolarHBondContact O-N 3.25Å; V63-V74 HydrophobicContact CG2-CB 4.19Å; V63-V74 HydrophobicContact CG2-CG2 3.46Å; V63-V74 VanDerWaalsContact CG2-CG2 3.46Å |
| 64 | E | 89.9 | Confident | 84.7 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.3 | 175.3 | -179.9 | -178.7 | -127.2 | 0 | 0 | 109.6 | A51 S52 L54 Q66 T71 | A51-E64 CarbonylContact C-O 3.43Å; A51-E64 WeakPolarHBondContact CA-O 3.17Å; A51-E64 WeakPolarHBondContact CB-O 3.45Å; S52-E64 PolarHBondContact N-O 3.36Å; S52-E64 PolarHBondContact O-N 2.97Å; S52-E64 PolarHBondContact OG-O 3.37Å; S52-E64 PolarHBondContact OG-OE2 3.29Å; L54-E64 HydrophobicContact CD1-CB 3.86Å; L54-E64 HydrophobicContact CD2-CB 4.32Å; L54-E64 HydrophobicContact CG-CB 3.96Å; E64-Q66 PolarHBondContact O-N 2.74Å; E64-T71 HydrophobicContact CB-CG2 4.22Å; E64-T71 HydrophobicContact CG-CG2 4.43Å |
| 65 | L | 87.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128 | 175.9 | -66.6 | -177.6 | 0 | 0 | 0 | 110.8 | V41 V49 A51 D67 T68 G69 K70 L72 | V41-L65 HydrophobicContact CG2-CD2 3.63Å; V49-L65 HydrophobicContact CG2-CD2 3.42Å; V49-L65 VanDerWaalsContact CG2-CD2 3.42Å; A51-L65 HydrophobicContact CB-CD2 4.22Å; L65-D67 PolarHBondContact O-N 3.09Å; L65-T68 WeakPolarHBondContact CB-OG1 3.4Å; L65-T68 WeakPolarHBondContact CD1-OG1 3.23Å; L65-G69 VanDerWaalsContact O-CA 3.23Å; L65-G69 WeakPolarHBondContact O-CA 3.24Å; L65-G69 PolarHBondContact O-N 3.22Å; L65-K70 HydrophobicContact CD1-CB 4.29Å; L65-K70 PolarHBondContact N-O 2.87Å; L65-L72 HydrophobicContact CD1-CD1 3.75Å; L65-L72 HydrophobicContact CD2-CD1 4.33Å; L65-L72 HydrophobicContact CG-CD1 4Å |
| 66 | Q | 84 | Confident | 84.4 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -41.1 | -179.5 | -76.7 | -85.6 | -61.5 | 0 | 0 | 112.4 | L38 S50 E64 | L38-Q66 HydrophobicContact CD2-CG 3.83Å; S50-Q66 WeakPolarHBondContact O-CB 3.29Å; S50-Q66 PolarHBondContact O-N 2.71Å; S50-Q66 WeakPolarHBondContact OG-CB 3.44Å; E64-Q66 PolarHBondContact O-N 2.74Å |
| 67 | D | 78.8 | Confident | 84.1 | Confident | 129 Ų | 129 | 70.8 Ų | 70.8 | 69% | 0.69 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -33.2 | -172.9 | -64.9 | -24.1 | 0 | 0 | 0 | 113 | L65 | L65-D67 PolarHBondContact O-N 3.09Š|
| 68 | T | 83.4 | Confident | 84.2 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -12.6 | -174 | 69.7 | 0 | 0 | 0 | 0 | 114 | L65 K70 | L65-T68 WeakPolarHBondContact CB-OG1 3.4Å; L65-T68 WeakPolarHBondContact CD1-OG1 3.23Å; T68-K70 PolarHBondContact O-N 2.66Å; T68-K70 VanDerWaalsContact OG1-CB 3.3Å; T68-K70 WeakPolarHBondContact OG1-CB 3.49Å; T68-K70 PolarHBondContact OG1-N 2.56Å |
| 69 | G | 81.7 | Confident | 84.4 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | trans | 64.1 | 14.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | L65 | L65-G69 VanDerWaalsContact O-CA 3.23Å; L65-G69 WeakPolarHBondContact O-CA 3.24Å; L65-G69 PolarHBondContact O-N 3.22Å | ||
| 70 | K | 85.1 | Confident | 84.6 | Confident | 132 Ų | 132 | 63 Ų | 63 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | trans | -84.2 | 129.5 | -175.1 | -167.1 | -179.5 | -178.2 | -175.4 | 0 | 109.2 | L65 T68 | L65-K70 HydrophobicContact CD1-CB 4.29Å; L65-K70 PolarHBondContact N-O 2.87Å; T68-K70 PolarHBondContact O-N 2.66Å; T68-K70 VanDerWaalsContact OG1-CB 3.3Å; T68-K70 WeakPolarHBondContact OG1-CB 3.49Å; T68-K70 PolarHBondContact OG1-N 2.56Å | ||
| 71 | T | 87.2 | Confident | 84.5 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.2 | 174.4 | 44.7 | 0 | 0 | 0 | 0 | 111 | L54 V63 E64 | L54-T71 HydrophobicContact CD1-CG2 3.56Å; V63-T71 CarbonylContact O-C 3.57Å; V63-T71 VanDerWaalsContact O-CA 3.29Å; V63-T71 WeakPolarHBondContact O-CA 3.37Å; E64-T71 HydrophobicContact CB-CG2 4.22Å; E64-T71 HydrophobicContact CG-CG2 4.43Å |
| 72 | L | 86.5 | Confident | 84.3 | Confident | 69 Ų | 69 | 63 Ų | 63 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146 | 179.5 | -71.3 | 164.5 | 0 | 0 | 0 | 108.9 | V63 L65 V74 | V63-L72 HydrophobicContact CG2-CB 4.24Å; V63-L72 VanDerWaalsContact CG2-O 3.24Å; V63-L72 WeakPolarHBondContact CG2-O 3.18Å; V63-L72 PolarHBondContact N-O 3.38Å; V63-L72 PolarHBondContact O-N 3.25Å; L65-L72 HydrophobicContact CD1-CD1 3.75Å; L65-L72 HydrophobicContact CD2-CD1 4.33Å; L65-L72 HydrophobicContact CG-CD1 4Å; L72-V74 HydrophobicContact CB-CG2 4.06Å |
| 73 | T | 87.4 | Confident | 83.8 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.8 | 169 | -45.3 | 0 | 0 | 0 | 0 | 107.3 | E60 L61 | E60-T73 HydrophobicContact CB-CG2 3.86Å; E60-T73 HydrophobicContact CG-CG2 4.33Å; E60-T73 WeakPolarHBondContact OE2-CG2 3.36Å; L61-T73 WeakPolarHBondContact O-CA 3.21Å |
| 74 | V | 85.2 | Confident | 83.1 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.9 | -173 | -170.6 | 0 | 0 | 0 | 0 | 108.8 | V41 L61 V63 L72 D78 V79 | V41-V74 HydrophobicContact CG1-CG1 4.3Å; V41-V74 HydrophobicContact CG1-CG2 4.28Å; L61-V74 PolarHBondContact N-O 3.45Å; L61-V74 PolarHBondContact O-N 2.86Å; V63-V74 HydrophobicContact CG2-CB 4.19Å; V63-V74 HydrophobicContact CG2-CG2 3.46Å; V63-V74 VanDerWaalsContact CG2-CG2 3.46Å; L72-V74 HydrophobicContact CB-CG2 4.06Å; V74-D78 HydrophobicContact CG1-CB 3.8Å; V74-V79 HydrophobicContact CB-CG2 4.35Å; V74-V79 HydrophobicContact CG1-CG2 4.15Å |
| 75 | S | 85.5 | Confident | 82.3 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 142.3 | 175 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | D77 D78 | S75-D77 PolarHBondContact O-N 2.76Å; S75-D77 PolarHBondContact OG-N 3.29Å; S75-D78 WeakPolarHBondContact CB-OD2 3.33Å; S75-D78 PolarHBondContact O-N 2.77Å; S75-D78 VanDerWaalsContact O-N 3.11Å |
| 76 | K | 79.7 | Confident | 81.5 | Confident | 113 Ų | 113 | 64.2 Ų | 64.2 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.8 | 173.3 | -173.1 | 177.9 | 176.4 | -170.1 | 0 | 112.3 | D59 L61 | D59-K76 VanDerWaalsContact O-CB 3.27Å; D59-K76 WeakPolarHBondContact O-CB 3.18Å; D59-K76 PolarHBondContact O-N 3.44Å; L61-K76 HydrophobicContact CD1-CB 4.3Å; L61-K76 HydrophobicContact CD1-CG 4.2Å; L61-K76 HydrophobicContact CG-CB 4.44Å |
| 77 | D | 77.8 | Confident | 81 | Confident | 66 Ų | 66 | 63 Ų | 63 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -26.5 | 179.9 | -59.8 | -30.4 | 0 | 0 | 0 | 113.1 | S75 | S75-D77 PolarHBondContact O-N 2.76Å; S75-D77 PolarHBondContact OG-N 3.29Å |
| 78 | D | 82.3 | Confident | 81.1 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -12.3 | -179.3 | -66.4 | -33.7 | 0 | 0 | 0 | 112.6 | P42 V74 S75 | P42-D78 WeakPolarHBondContact CD-O 3.24Å; P42-D78 HydrophobicContact CG-CB 4.16Å; V74-D78 HydrophobicContact CG1-CB 3.8Å; S75-D78 WeakPolarHBondContact CB-OD2 3.33Å; S75-D78 PolarHBondContact O-N 2.77Å; S75-D78 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 83.8 | Confident | 81.2 | Confident | 26 Ų | 26 | 58 Ų | 58 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | trans | -88.8 | 121.4 | -176 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | V39 V41 L61 V74 | V39-V79 HydrophobicContact CB-CG1 3.47Å; V39-V79 VanDerWaalsContact CB-CG1 3.47Å; V39-V79 HydrophobicContact CG1-CG1 3.76Å; V39-V79 HydrophobicContact CG2-CG1 3.55Å; V41-V79 HydrophobicContact CG1-CG2 3.94Å; L61-V79 HydrophobicContact CB-CG2 4.45Å; L61-V79 HydrophobicContact CD1-CB 3.8Å; L61-V79 HydrophobicContact CD1-CG1 4Å; L61-V79 HydrophobicContact CD1-CG2 3.6Å; V74-V79 HydrophobicContact CB-CG2 4.35Å; V74-V79 HydrophobicContact CG1-CG2 4.15Å | ||
| 80 | Q | 84.1 | Confident | 81.4 | Confident | 40 Ų | 40 | 57 Ų | 57 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.9 | 179.6 | -54.5 | -179.5 | 4.3 | 0 | 0 | 111.9 | W40 M82 N100 | W40-Q80 HydrophobicContact CB-CB 4.14Å; W40-Q80 PolarHBondContact N-O 2.84Å; W40-Q80 PolarHBondContact O-N 3.5Å; Q80-M82 PolarHBondContact O-N 3.35Å; Q80-N100 HydrophobicContact CB-CB 4.24Å; Q80-N100 HydrophobicContact CG-CB 4.46Å |
| 81 | K | 80.9 | Confident | 81.4 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 132.9 | -179.1 | -65.6 | 175.5 | -174.8 | 168.1 | 0 | 111.7 | N100 | K81-N100 PolarHBondContact O-ND2 2.78Å |
| 82 | M | 81.9 | Confident | 81.3 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -81 | 138.8 | 176.6 | -170.5 | 178.5 | 179.4 | 0 | 0 | 111.5 | W33 L38 W40 Q80 | W33-M82 WeakPolarHBondContact CZ2-O 3.28Å; W33-M82 PolarHBondContact NE1-O 3.37Å; L38-M82 HydrophobicContact CB-CB 4.37Å; L38-M82 HydrophobicContact CB-SD 3.59Å; L38-M82 VanDerWaalsContact CB-SD 3.59Å; L38-M82 HydrophobicContact CD1-SD 3.99Å; L38-M82 HydrophobicContact CG-SD 4.4Å; L38-M82 VanDerWaalsContact O-CB 3.32Å; L38-M82 WeakPolarHBondContact O-CB 3.27Å; W40-M82 HydrophobicContact CH2-CE 4.28Å; W40-M82 HydrophobicContact CZ2-CE 3.96Å; W40-M82 HydrophobicContact CZ2-CG 4.01Å; W40-M82 HydrophobicContact CZ2-SD 4.37Å; Q80-M82 PolarHBondContact O-N 3.35Å |
| 83 | N | 77.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -71 | 150.4 | 172.9 | -85.9 | -61.3 | 0 | 0 | 0 | 112 | W33 T97 C98 S103 | W33-N83 PolarHBondContact NE1-O 2.82Å; N83-T97 WeakPolarHBondContact OD1-CB 3.22Å; N83-T97 PolarHBondContact OD1-N 3.49Å; N83-T97 VanDerWaalsContact OD1-N 3.12Å; N83-C98 PolarHBondContact ND2-O 3.48Å; N83-C98 PolarHBondContact OD1-N 3.48Å; N83-C98 PolarHBondContact OD1-SG 3.24Å; N83-C98 VanDerWaalsContact OD1-SG 3.42Å; N83-S103 WeakPolarHBondContact ND2-CB 3.47Å; N83-S103 PolarHBondContact ND2-OG 3.37Å |
| 84 | P | 73.8 | Confident | 80.8 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 139.7 | 169.1 | -24.9 | 33.3 | 0 | 0 | 0 | 111.5 | W33 K86 F87 | W33-P84 HydrophobicContact CH2-CG 3.85Å; W33-P84 HydrophobicContact CZ2-CG 3.93Å; W33-P84 HydrophobicContact CZ3-CG 4.29Å; P84-K86 HydrophobicContact CB-CG 3.92Å; P84-K86 PolarHBondContact O-N 3.49Å; P84-F87 HydrophobicContact CB-CD2 4.02Å; P84-F87 HydrophobicContact CB-CE2 4.32Å; P84-F87 HydrophobicContact CG-CD2 4.1Å; P84-F87 HydrophobicContact CG-CE2 4.11Å; P84-F87 PolarHBondContact O-N 3.45Å |
| 85 | P | 74.2 | Confident | 80.3 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -54.1 | -24.9 | -179.4 | -29.7 | 35.3 | 0 | 0 | 0 | 115.2 | L24 V29 W33 F87 D88 | L24-P85 WeakPolarHBondContact CD2-O 3.49Å; V29-P85 HydrophobicContact CG1-CB 3.89Å; V29-P85 HydrophobicContact CG1-CG 3.79Å; W33-P85 HydrophobicContact CB-CG 4.12Å; W33-P85 HydrophobicContact CG-CG 4.41Å; P85-F87 PolarHBondContact O-N 2.76Å; P85-D88 VanDerWaalsContact O-CB 3.32Å; P85-D88 WeakPolarHBondContact O-CB 3.47Å; P85-D88 PolarHBondContact O-N 3.47Å |
| 86 | K | 70.4 | Confident | 79.7 | Confident | 103 Ų | 103 | 45.8 Ų | 45.8 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -59.5 | -16.3 | 173.4 | 64.4 | 166.1 | -175.4 | 172.6 | 0 | 114.5 | P84 | P84-K86 HydrophobicContact CB-CG 3.92Å; P84-K86 PolarHBondContact O-N 3.49Å |
| 87 | F | 74.9 | Confident | 79.2 | Confident | 42 Ų | 42 | 42.2 Ų | 42.2 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -99.3 | 7 | 176.3 | -64.8 | -74.8 | 0 | 0 | 0 | 113.1 | P84 P85 K89 V90 D95 L96 T97 | P84-F87 HydrophobicContact CB-CD2 4.02Å; P84-F87 HydrophobicContact CB-CE2 4.32Å; P84-F87 HydrophobicContact CG-CD2 4.1Å; P84-F87 HydrophobicContact CG-CE2 4.11Å; P84-F87 PolarHBondContact O-N 3.45Å; P85-F87 PolarHBondContact O-N 2.76Å; F87-K89 PolarHBondContact O-N 3Å; F87-V90 PolarHBondContact O-N 2.89Å; F87-D95 WeakPolarHBondContact CE1-O 3.4Å; F87-L96 HydrophobicContact CB-CD2 4.11Å; F87-T97 WeakPolarHBondContact CD2-OG1 3.43Å; F87-T97 WeakPolarHBondContact CE2-OG1 3.19Å; F87-T97 WeakPolarHBondContact CZ-OG1 3.45Å |
| 88 | D | 80.5 | Confident | 79 | Confident | 49 Ų | 49 | 39.3 Ų | 39.3 | 26% | 0.262 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 135.5 | 173.3 | -80.5 | -16.4 | 0 | 0 | 0 | 110.3 | L24 P85 V90 H106 | L24-D88 HydrophobicContact CD2-CB 3.63Å; L24-D88 VanDerWaalsContact CD2-O 3.29Å; L24-D88 WeakPolarHBondContact CD2-O 3.44Å; P85-D88 VanDerWaalsContact O-CB 3.32Å; P85-D88 WeakPolarHBondContact O-CB 3.47Å; P85-D88 PolarHBondContact O-N 3.47Å; D88-V90 VanDerWaalsContact C-N 3.27Å; D88-V90 PolarHBondContact O-N 3.4Å; D88-H106 IonicContact OD1-CD2 2.62Å; D88-H106 PolarHBondContact OD1-CD2 3.49Å; D88-H106 IonicContact OD1-NE2 2.82Å; D88-H106 PolarHBondContact OD1-NE2 2.85Å; D88-H106 IonicContact OD2-NE2 2.91Å |
| 89 | K | 85.7 | Confident | 78.9 | Confident | 70 Ų | 70 | 37.1 Ų | 37.1 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 26.8 | -178.7 | -51.2 | -179.6 | -173.5 | -173.9 | 0 | 114.6 | A19 F87 N107 A110 R111 S114 M116 | A19-K89 HydrophobicContact CB-CB 4.03Å; A19-K89 HydrophobicContact CB-CD 4.44Å; F87-K89 PolarHBondContact O-N 3Å; K89-N107 VanDerWaalsContact C-OD1 3.29Å; K89-N107 WeakPolarHBondContact CA-OD1 3.25Å; K89-N107 PolarHBondContact N-OD1 3.44Å; K89-N107 VanDerWaalsContact N-OD1 3.13Å; K89-A110 HydrophobicContact CG-CB 3.93Å; K89-R111 HydrophobicContact CB-CG 4.17Å; K89-R111 PolarHBondContact O-NH1 2.8Å; K89-S114 WeakPolarHBondContact CE-OG 3.39Å; K89-S114 PolarHBondContact NZ-OG 2.88Å; K89-M116 HydrophobicContact CB-CE 4.3Å; K89-M116 HydrophobicContact CD-CE 4.07Å |
| 90 | V | 85 | Confident | 78.8 | Confident | 23 Ų | 23 | 37 Ų | 37 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | trans | -55.7 | 139.8 | 178.1 | 73.5 | 0 | 0 | 0 | 0 | 112 | F87 D88 D92 D95 L96 N107 R111 | F87-V90 PolarHBondContact O-N 2.89Å; D88-V90 VanDerWaalsContact C-N 3.27Å; D88-V90 PolarHBondContact O-N 3.4Å; V90-D92 WeakPolarHBondContact CG1-O 3.33Å; V90-D92 WeakPolarHBondContact CG2-O 3.24Å; V90-D95 HydrophobicContact CG2-CB 3.99Å; V90-L96 HydrophobicContact CG1-CD2 3.69Å; V90-L96 HydrophobicContact CG1-CG 3.99Å; V90-N107 WeakPolarHBondContact CG1-ND2 3.41Å; V90-N107 PolarHBondContact N-OD1 2.93Å; V90-N107 PolarHBondContact O-ND2 2.77Å; V90-N107 VanDerWaalsContact O-ND2 3.16Å; V90-R111 WeakPolarHBondContact O-CD 3.44Å; V90-R111 PolarHBondContact O-NH1 2.75Å | ||
| 91 | A | 85.9 | Confident | 78.9 | Confident | 43 Ų | 43 | 37 Ų | 37 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -70.6 | -38.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y120 P155 | A91-Y120 PolarHBondContact O-N 3.41Å; A91-P155 HydrophobicContact CB-CG 3.73Å; A91-P155 VanDerWaalsContact O-CG 3.3Å; A91-P155 WeakPolarHBondContact O-CG 3.36Å |
| 92 | D | 85 | Confident | 79.2 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -118.1 | 124.8 | 175.5 | -157.9 | -33.7 | 0 | 0 | 0 | 110.8 | V90 A94 D95 Y120 G122 R150 | V90-D92 WeakPolarHBondContact CG1-O 3.33Å; V90-D92 WeakPolarHBondContact CG2-O 3.24Å; D92-A94 PolarHBondContact O-N 3.47Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 2.91Å; D92-D95 PolarHBondContact O-N 2.86Å; D92-Y120 VanDerWaalsContact CG-CB 3.49Å; D92-Y120 WeakPolarHBondContact OD2-CB 3.49Å; D92-G122 PolarHBondContact OD1-N 2.74Å; D92-R150 IonicContact OD2-NH2 3.21Å; D92-R150 PolarHBondContact OD2-NH2 3.44Å |
| 93 | M | 84.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -71.9 | -13.2 | 179.9 | -64.5 | -167.6 | -70.7 | 0 | 0 | 113.1 | D95 L96 V104 L108 T119 Y120 S121 V126 V707 I711 | M93-D95 PolarHBondContact O-N 3.48Å; M93-L96 HydrophobicContact CB-CD1 4.1Å; M93-L96 HydrophobicContact CG-CD1 4.34Å; M93-L96 WeakPolarHBondContact O-CB 3.13Å; M93-L96 WeakPolarHBondContact O-CG 3.46Å; M93-L96 PolarHBondContact O-N 3.32Å; M93-V104 HydrophobicContact CE-CG1 4.17Å; M93-V104 HydrophobicContact SD-CB 4.37Å; M93-V104 HydrophobicContact SD-CG1 3.76Å; M93-V104 HydrophobicContact SD-CG2 4.43Å; M93-L108 HydrophobicContact CE-CD1 4.37Å; M93-L108 HydrophobicContact CE-CD2 4.1Å; M93-L108 HydrophobicContact CE-CG 4.31Å; M93-L108 HydrophobicContact SD-CD1 4.42Å; M93-L108 HydrophobicContact SD-CD2 4.14Å; M93-L108 HydrophobicContact SD-CG 3.97Å; M93-T119 HydrophobicContact CE-CG2 4.39Å; M93-T119 HydrophobicContact CG-CG2 3.89Å; M93-T119 HydrophobicContact SD-CG2 4.29Å; M93-Y120 PolarHBondContact N-O 2.57Å; M93-S121 WeakPolarHBondContact CE-OG 3.21Å; M93-V126 HydrophobicContact CE-CB 4.49Å; M93-V126 HydrophobicContact CE-CG2 4.14Å; M93-V707 HydrophobicContact CE-CG1 4.41Å; M93-I711 HydrophobicContact CB-CD1 3.87Å; M93-I711 HydrophobicContact CE-CD1 4.08Å |
| 94 | A | 78 | Confident | 80.1 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -63.2 | -25.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D92 L96 | D92-A94 PolarHBondContact O-N 3.47Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 2.91Å; A94-L96 VanDerWaalsContact C-N 3.3Å; A94-L96 PolarHBondContact O-N 2.8Å |
| 95 | D | 74.9 | Confident | 81 | Confident | 97 Ų | 97 | 30.9 Ų | 30.9 | 52% | 0.519 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -80.4 | -9.1 | -178.6 | -61.4 | -25.6 | 0 | 0 | 0 | 113.3 | F87 V90 D92 M93 T97 | F87-D95 WeakPolarHBondContact CE1-O 3.4Å; V90-D95 HydrophobicContact CG2-CB 3.99Å; D92-D95 PolarHBondContact O-N 2.86Å; M93-D95 PolarHBondContact O-N 3.48Å; D95-T97 PolarHBondContact O-N 2.88Å |
| 96 | L | 74 | Confident | 81.7 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -62.8 | 129.1 | 179.4 | -70.1 | 174.3 | 0 | 0 | 0 | 111 | F87 V90 M93 A94 C98 V104 R715 | F87-L96 HydrophobicContact CB-CD2 4.11Å; V90-L96 HydrophobicContact CG1-CD2 3.69Å; V90-L96 HydrophobicContact CG1-CG 3.99Å; M93-L96 HydrophobicContact CB-CD1 4.1Å; M93-L96 HydrophobicContact CG-CD1 4.34Å; M93-L96 WeakPolarHBondContact O-CB 3.13Å; M93-L96 WeakPolarHBondContact O-CG 3.46Å; M93-L96 PolarHBondContact O-N 3.32Å; A94-L96 VanDerWaalsContact C-N 3.3Å; A94-L96 PolarHBondContact O-N 2.8Å; L96-C98 PolarHBondContact O-N 2.81Å; L96-V104 HydrophobicContact CD1-CG2 4.43Å; L96-R715 PolarHBondContact O-NH1 2.96Å | ||
| 97 | T | 69.4 | Low | 82.7 | Confident | 38 Ų | 38 | 28 Ų | 28 | 23% | 0.233 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -69.5 | -39.5 | -177.2 | -38 | 0 | 0 | 0 | 0 | 112.7 | N83 F87 D95 R715 R1427 | N83-T97 WeakPolarHBondContact OD1-CB 3.22Å; N83-T97 PolarHBondContact OD1-N 3.49Å; N83-T97 VanDerWaalsContact OD1-N 3.12Å; F87-T97 WeakPolarHBondContact CD2-OG1 3.43Å; F87-T97 WeakPolarHBondContact CE2-OG1 3.19Å; F87-T97 WeakPolarHBondContact CZ-OG1 3.45Å; D95-T97 PolarHBondContact O-N 2.88Å; T97-R715 PolarHBondContact O-NH1 3.21Å; T97-R715 PolarHBondContact O-NH2 3.35Å; T97-R1427 HydrophobicContact CG2-CG 4.36Å; T97-R1427 PolarHBondContact O-NH2 2.71Å |
| 98 | C | 72.2 | Confident | 83.6 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.034 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -107.4 | 106.6 | 173.1 | -40.4 | 0 | 0 | 0 | 0 | 107.6 | N83 L96 N100 R1427 | N83-C98 PolarHBondContact ND2-O 3.48Å; N83-C98 PolarHBondContact OD1-N 3.48Å; N83-C98 PolarHBondContact OD1-SG 3.24Å; N83-C98 VanDerWaalsContact OD1-SG 3.42Å; L96-C98 PolarHBondContact O-N 2.81Å; C98-N100 PolarHBondContact O-N 3.24Å; C98-R1427 PolarHBondContact SG-NH2 3.43Å |
| 99 | L | 79.8 | Confident | 84.1 | Confident | 39 Ų | 39 | 26.1 Ų | 26.1 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | trans | -89.3 | 102.5 | 173.8 | -173.4 | 70.4 | 0 | 0 | 0 | 108.7 | V104 L708 I711 R712 | L99-V104 HydrophobicContact CD1-CG2 3.93Å; L99-L708 HydrophobicContact CG-CD2 4.38Å; L99-I711 HydrophobicContact CD1-CB 4.08Å; L99-I711 HydrophobicContact CD1-CD1 4.19Å; L99-I711 HydrophobicContact CD1-CG2 3.54Å; L99-I711 HydrophobicContact CD2-CB 3.95Å; L99-I711 HydrophobicContact CD2-CG2 3.68Å; L99-I711 HydrophobicContact CG-CG2 4.27Å; L99-R712 HydrophobicContact CD2-CB 4.17Å | ||
| 100 | N | 82.3 | Confident | 84.3 | Confident | 24 Ų | 24 | 23.7 Ų | 23.7 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | trans | -144.2 | 163.8 | 175.3 | 56.8 | 37.6 | 0 | 0 | 0 | 110.1 | Q80 K81 C98 A102 S103 V104 | Q80-N100 HydrophobicContact CB-CB 4.24Å; Q80-N100 HydrophobicContact CG-CB 4.46Å; K81-N100 PolarHBondContact O-ND2 2.78Å; C98-N100 PolarHBondContact O-N 3.24Å; N100-A102 VanDerWaalsContact C-N 3.26Å; N100-A102 PolarHBondContact O-N 3.2Å; N100-S103 PolarHBondContact O-N 2.72Å; N100-S103 WeakPolarHBondContact OD1-CA 3.38Å; N100-S103 WeakPolarHBondContact OD1-CB 3.26Å; N100-S103 PolarHBondContact OD1-N 3.35Å; N100-S103 PolarHBondContact OD1-OG 2.84Å; N100-V104 WeakPolarHBondContact O-CG2 3.49Å; N100-V104 PolarHBondContact O-N 3.46Å; N100-V104 VanDerWaalsContact O-N 3.1Å | ||
| 101 | E | 85.7 | Confident | 84.7 | Confident | 39 Ų | 39 | 22.9 Ų | 22.9 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.8 | -43 | -175.6 | -48.8 | -162.2 | 126.8 | 0 | 0 | 111.6 | F48 S103 V104 L105 L699 R703 L708 | F48-E101 HydrophobicContact CE2-CB 4.03Å; F48-E101 HydrophobicContact CZ-CB 4.3Å; E101-S103 PolarHBondContact O-N 2.68Å; E101-V104 PolarHBondContact O-N 2.63Å; E101-L105 WeakPolarHBondContact O-CB 3.47Å; E101-L105 PolarHBondContact O-N 2.71Å; E101-L699 HydrophobicContact CB-CD2 4.13Å; E101-R703 WeakPolarHBondContact OE1-CG 3.06Å; E101-R703 IonicContact OE1-CZ 3.57Å; E101-R703 IonicContact OE1-NE 3.59Å; E101-R703 PolarHBondContact OE1-NE 3.48Å; E101-R703 IonicContact OE1-NH2 3.35Å; E101-R703 IonicContact OE2-CZ 3.82Å; E101-R703 IonicContact OE2-NE 2.79Å; E101-R703 PolarHBondContact OE2-NE 2.65Å; E101-R703 IonicContact OE2-NH2 2.67Å; E101-R703 PolarHBondContact OE2-NH2 2.62Å; E101-L708 HydrophobicContact CB-CD1 4.23Å; E101-L708 HydrophobicContact CG-CD1 3.63Å |
| 102 | A | 88.7 | Confident | 85 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.017 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W40 F48 N100 H106 | W40-A102 HydrophobicContact CB-CB 3.49Å; W40-A102 VanDerWaalsContact CB-CB 3.49Å; W40-A102 HydrophobicContact CD2-CB 3.92Å; W40-A102 HydrophobicContact CG-CB 3.38Å; F48-A102 HydrophobicContact CB-CB 3.78Å; F48-A102 HydrophobicContact CD1-CB 3.89Å; F48-A102 HydrophobicContact CD2-CB 3.93Å; F48-A102 HydrophobicContact CE1-CB 4.47Å; F48-A102 HydrophobicContact CG-CB 3.59Å; N100-A102 VanDerWaalsContact C-N 3.26Å; N100-A102 PolarHBondContact O-N 3.2Å; A102-H106 WeakPolarHBondContact O-CB 3.3Å; A102-H106 PolarHBondContact O-N 3.36Å |
| 103 | S | 87.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.3 | -38.6 | 179.7 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | N83 N100 E101 N107 | N83-S103 WeakPolarHBondContact ND2-CB 3.47Å; N83-S103 PolarHBondContact ND2-OG 3.37Å; N100-S103 PolarHBondContact O-N 2.72Å; N100-S103 WeakPolarHBondContact OD1-CA 3.38Å; N100-S103 WeakPolarHBondContact OD1-CB 3.26Å; N100-S103 PolarHBondContact OD1-N 3.35Å; N100-S103 PolarHBondContact OD1-OG 2.84Å; E101-S103 PolarHBondContact O-N 2.68Å; S103-N107 WeakPolarHBondContact O-CB 3.48Å; S103-N107 PolarHBondContact O-N 2.73Å |
| 104 | V | 89.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.4 | -49 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | M93 L96 L99 N100 E101 H106 N107 L108 L702 L708 I711 | M93-V104 HydrophobicContact CE-CG1 4.17Å; M93-V104 HydrophobicContact SD-CB 4.37Å; M93-V104 HydrophobicContact SD-CG1 3.76Å; M93-V104 HydrophobicContact SD-CG2 4.43Å; L96-V104 HydrophobicContact CD1-CG2 4.43Å; L99-V104 HydrophobicContact CD1-CG2 3.93Å; N100-V104 WeakPolarHBondContact O-CG2 3.49Å; N100-V104 PolarHBondContact O-N 3.46Å; N100-V104 VanDerWaalsContact O-N 3.1Å; E101-V104 PolarHBondContact O-N 2.63Å; V104-H106 PolarHBondContact O-N 2.73Å; V104-N107 PolarHBondContact O-N 2.68Å; V104-L108 HydrophobicContact CG1-CD1 3.99Å; V104-L108 WeakPolarHBondContact O-CB 3.37Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.34Å; V104-L702 HydrophobicContact CG1-CD1 4.06Å; V104-L708 HydrophobicContact CG2-CD2 3.81Å; V104-I711 HydrophobicContact CG2-CD1 4.36Å |
| 105 | L | 92 | Very high | 85.9 | Confident | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | 176.3 | 178.5 | 68.8 | 0 | 0 | 0 | 111.7 | F48 E101 N107 L108 K109 V698 L699 | F48-L105 HydrophobicContact CD2-CD2 4.35Å; E101-L105 WeakPolarHBondContact O-CB 3.47Å; E101-L105 PolarHBondContact O-N 2.71Å; L105-N107 PolarHBondContact O-N 3.43Å; L105-L108 PolarHBondContact O-N 2.8Å; L105-K109 WeakPolarHBondContact O-CB 3.34Å; L105-K109 PolarHBondContact O-N 3.39Å; L105-V698 HydrophobicContact CD1-CB 4.15Å; L105-V698 HydrophobicContact CD1-CG1 3.8Å; L105-L699 HydrophobicContact CB-CD2 4.11Å; L105-L699 HydrophobicContact CD1-CG 4.28Å; L105-L699 HydrophobicContact CD2-CD1 3.85Å; L105-L699 HydrophobicContact CD2-CD2 4.01Å; L105-L699 HydrophobicContact CD2-CG 3.81Å; L105-L699 HydrophobicContact CG-CD2 4.45Å; L105-L699 HydrophobicContact CG-CG 4.45Å |
| 106 | H | 90.6 | Very high | 86.7 | Confident | 56 Ų | 56 | 23.6 Ų | 23.6 | 26% | 0.259 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 179.3 | 174.9 | 70 | 0 | 0 | 0 | 111.7 | W40 D88 A102 V104 K109 A110 | W40-H106 HydrophobicContact CH2-CB 4.13Å; W40-H106 AromaticContact CH2-CG 3.82Å; W40-H106 AromaticContact CH2-ND1 3.7Å; W40-H106 HydrophobicContact CZ2-CB 3.94Å; W40-H106 AromaticContact CZ2-CG 3.76Å; D88-H106 IonicContact OD1-CD2 2.62Å; D88-H106 PolarHBondContact OD1-CD2 3.49Å; D88-H106 IonicContact OD1-NE2 2.82Å; D88-H106 PolarHBondContact OD1-NE2 2.85Å; D88-H106 IonicContact OD2-NE2 2.91Å; A102-H106 WeakPolarHBondContact O-CB 3.3Å; A102-H106 PolarHBondContact O-N 3.36Å; V104-H106 PolarHBondContact O-N 2.73Å; H106-K109 PolarHBondContact O-N 2.73Å; H106-A110 WeakPolarHBondContact O-CB 3.44Å; H106-A110 PolarHBondContact O-N 3.47Å |
| 107 | N | 91.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 178.4 | -172.1 | 48.7 | 0 | 0 | 0 | 111.7 | K89 V90 S103 V104 L105 K109 A110 R111 | K89-N107 VanDerWaalsContact C-OD1 3.29Å; K89-N107 WeakPolarHBondContact CA-OD1 3.25Å; K89-N107 PolarHBondContact N-OD1 3.44Å; K89-N107 VanDerWaalsContact N-OD1 3.13Å; V90-N107 WeakPolarHBondContact CG1-ND2 3.41Å; V90-N107 PolarHBondContact N-OD1 2.93Å; V90-N107 PolarHBondContact O-ND2 2.77Å; V90-N107 VanDerWaalsContact O-ND2 3.16Å; S103-N107 WeakPolarHBondContact O-CB 3.48Å; S103-N107 PolarHBondContact O-N 2.73Å; V104-N107 PolarHBondContact O-N 2.68Å; L105-N107 PolarHBondContact O-N 3.43Å; N107-K109 VanDerWaalsContact C-N 3.34Å; N107-K109 PolarHBondContact O-N 2.72Å; N107-A110 PolarHBondContact O-N 3.39Å; N107-R111 WeakPolarHBondContact O-CB 3.22Å; N107-R111 VanDerWaalsContact O-CG 3.27Å; N107-R111 WeakPolarHBondContact O-CG 3.47Å; N107-R111 PolarHBondContact O-N 2.72Å |
| 108 | L | 92.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.8 | -74.5 | 175.4 | 0 | 0 | 0 | 112.1 | M93 V104 L105 R111 Y112 T119 V126 I128 L702 | M93-L108 HydrophobicContact CE-CD1 4.37Å; M93-L108 HydrophobicContact CE-CD2 4.1Å; M93-L108 HydrophobicContact CE-CG 4.31Å; M93-L108 HydrophobicContact SD-CD1 4.42Å; M93-L108 HydrophobicContact SD-CD2 4.14Å; M93-L108 HydrophobicContact SD-CG 3.97Å; V104-L108 HydrophobicContact CG1-CD1 3.99Å; V104-L108 WeakPolarHBondContact O-CB 3.37Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.34Å; L105-L108 PolarHBondContact O-N 2.8Å; L108-R111 PolarHBondContact O-N 2.92Å; L108-Y112 VanDerWaalsContact O-CB 3.27Å; L108-Y112 WeakPolarHBondContact O-CB 3.27Å; L108-Y112 PolarHBondContact O-N 3.36Å; L108-T119 HydrophobicContact CD2-CG2 4.3Å; L108-V126 HydrophobicContact CD1-CG1 4.32Å; L108-V126 HydrophobicContact CD2-CB 4.43Å; L108-V126 HydrophobicContact CD2-CG1 4Å; L108-I128 HydrophobicContact CB-CD1 3.92Å; L108-I128 HydrophobicContact CD2-CD1 4.26Å; L108-L702 HydrophobicContact CD1-CD1 3.84Å; L108-L702 HydrophobicContact CD1-CD2 3.8Å; L108-L702 HydrophobicContact CD1-CG 4.42Å |
| 109 | K | 92.2 | Very high | 89.7 | Confident | 51 Ų | 51 | 21.9 Ų | 21.9 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.6 | -178 | 170.4 | -179 | -179 | 0 | 111.5 | L105 H106 N107 R111 Y112 Y113 I693 | L105-K109 WeakPolarHBondContact O-CB 3.34Å; L105-K109 PolarHBondContact O-N 3.39Å; H106-K109 PolarHBondContact O-N 2.73Å; N107-K109 VanDerWaalsContact C-N 3.34Å; N107-K109 PolarHBondContact O-N 2.72Å; K109-R111 VanDerWaalsContact C-N 3.33Å; K109-R111 PolarHBondContact O-N 2.68Å; K109-Y112 PolarHBondContact O-N 3.16Å; K109-Y113 HydrophobicContact CD-CE2 4.14Å; K109-Y113 HydrophobicContact CG-CD2 3.78Å; K109-Y113 HydrophobicContact CG-CE2 3.42Å; K109-Y113 VanDerWaalsContact CG-CE2 3.42Å; K109-Y113 WeakPolarHBondContact O-CD2 3.42Å; K109-Y113 PolarHBondContact O-N 3.05Å; K109-I693 HydrophobicContact CB-CD1 4.49Å; K109-I693 HydrophobicContact CD-CG2 4.26Å; K109-I693 HydrophobicContact CG-CG2 4.03Å |
| 110 | A | 90.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 20.4 Ų | 20.4 | 16% | 0.157 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | K89 H106 N107 S114 | K89-A110 HydrophobicContact CG-CB 3.93Å; H106-A110 WeakPolarHBondContact O-CB 3.44Å; H106-A110 PolarHBondContact O-N 3.47Å; N107-A110 PolarHBondContact O-N 3.39Å; A110-S114 PolarHBondContact O-N 3.36Å; A110-S114 PolarHBondContact O-OG 3.13Å |
| 111 | R | 91.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 2% | 0.023 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.1 | -46.6 | 175.3 | -71.7 | -178.6 | 68 | 77 | 6 | 111.9 | K89 V90 N107 L108 K109 Y113 S114 G115 M116 Y118 T119 | K89-R111 HydrophobicContact CB-CG 4.17Å; K89-R111 PolarHBondContact O-NH1 2.8Å; V90-R111 WeakPolarHBondContact O-CD 3.44Å; V90-R111 PolarHBondContact O-NH1 2.75Å; N107-R111 WeakPolarHBondContact O-CB 3.22Å; N107-R111 VanDerWaalsContact O-CG 3.27Å; N107-R111 WeakPolarHBondContact O-CG 3.47Å; N107-R111 PolarHBondContact O-N 2.72Å; L108-R111 PolarHBondContact O-N 2.92Å; K109-R111 VanDerWaalsContact C-N 3.33Å; K109-R111 PolarHBondContact O-N 2.68Å; R111-Y113 PolarHBondContact O-N 2.71Å; R111-S114 CarbonylContact O-C 3.41Å; R111-S114 WeakPolarHBondContact O-CA 3.19Å; R111-S114 WeakPolarHBondContact O-CB 3.12Å; R111-S114 PolarHBondContact O-N 2.59Å; R111-G115 PolarHBondContact O-N 3.42Å; R111-M116 CarbonylContact C-O 3.59Å; R111-M116 VanDerWaalsContact C-O 3.31Å; R111-M116 HydrophobicContact CB-CB 4.14Å; R111-M116 HydrophobicContact CG-CE 4.31Å; R111-M116 PolarHBondContact O-N 3.17Å; R111-Y118 PolarHBondContact NH2-O 2.76Å; R111-T119 WeakPolarHBondContact CD-OG1 3.25Å; R111-T119 PolarHBondContact NE-OG1 2.7Å |
| 112 | Y | 91.9 | Very high | 90.1 | Very high | 13 Ų | 13 | 18 Ų | 18 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.9 | -47.8 | 177.1 | 177.2 | -104.3 | 0 | 0 | 0 | 112.3 | L108 K109 S114 G115 I128 P684 G691 K692 I693 | L108-Y112 VanDerWaalsContact O-CB 3.27Å; L108-Y112 WeakPolarHBondContact O-CB 3.27Å; L108-Y112 PolarHBondContact O-N 3.36Å; K109-Y112 PolarHBondContact O-N 3.16Å; Y112-S114 PolarHBondContact O-N 3.43Å; Y112-G115 PolarHBondContact O-N 3.37Å; Y112-I128 HydrophobicContact CD2-CB 3.98Å; Y112-I128 HydrophobicContact CD2-CG2 3.48Å; Y112-I128 VanDerWaalsContact CD2-CG2 3.48Å; Y112-I128 HydrophobicContact CE2-CG2 3.66Å; Y112-I128 HydrophobicContact CG-CG2 4.25Å; Y112-P684 HydrophobicContact CE2-CB 4.34Å; Y112-G691 PolarHBondContact OH-N 3.5Å; Y112-K692 PolarHBondContact OH-O 3.17Å; Y112-I693 HydrophobicContact CD1-CB 4.21Å; Y112-I693 HydrophobicContact CD1-CD1 4.37Å; Y112-I693 HydrophobicContact CE1-CB 4.18Å |
| 113 | Y | 91.2 | Very high | 89.6 | Confident | 128 Ų | 128 | 21.6 Ų | 21.6 | 50% | 0.502 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -65.2 | -23.7 | 176.5 | -74.4 | -57.1 | 0 | 0 | 0 | 113.9 | K109 R111 G691 I693 | K109-Y113 HydrophobicContact CD-CE2 4.14Å; K109-Y113 HydrophobicContact CG-CD2 3.78Å; K109-Y113 HydrophobicContact CG-CE2 3.42Å; K109-Y113 VanDerWaalsContact CG-CE2 3.42Å; K109-Y113 WeakPolarHBondContact O-CD2 3.42Å; K109-Y113 PolarHBondContact O-N 3.05Å; R111-Y113 PolarHBondContact O-N 2.71Å; Y113-G691 VanDerWaalsContact CE1-O 3.3Å; Y113-G691 WeakPolarHBondContact CE1-O 3.3Å; Y113-I693 HydrophobicContact CE2-CG2 4.05Å; Y113-I693 WeakPolarHBondContact OH-CG2 3.04Å |
| 114 | S | 88 | Confident | 89.5 | Confident | 37 Ų | 37 | 21.6 Ų | 21.6 | 26% | 0.259 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.6 | 173.2 | -52.8 | 0 | 0 | 0 | 0 | 112.7 | K89 A110 R111 Y112 M116 | K89-S114 WeakPolarHBondContact CE-OG 3.39Å; K89-S114 PolarHBondContact NZ-OG 2.88Å; A110-S114 PolarHBondContact O-N 3.36Å; A110-S114 PolarHBondContact O-OG 3.13Å; R111-S114 CarbonylContact O-C 3.41Å; R111-S114 WeakPolarHBondContact O-CA 3.19Å; R111-S114 WeakPolarHBondContact O-CB 3.12Å; R111-S114 PolarHBondContact O-N 2.59Å; Y112-S114 PolarHBondContact O-N 3.43Å; S114-M116 VanDerWaalsContact C-N 3.29Å; S114-M116 VanDerWaalsContact CB-CE 3.42Å |
| 115 | G | 88.4 | Confident | 89.6 | Confident | 14 Ų | 14 | 21.6 Ų | 21.6 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 6.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R111 Y112 I117 L134 | R111-G115 PolarHBondContact O-N 3.42Å; Y112-G115 PolarHBondContact O-N 3.37Å; G115-I117 PolarHBondContact O-N 2.72Å; G115-L134 WeakPolarHBondContact O-CD1 3.44Å |
| 116 | M | 91 | Very high | 89.7 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.03 | 11% | 0.11 | C | C | . | . | trans | -90 | 94.9 | 176.9 | -66.2 | 179.2 | -78.6 | 0 | 0 | 109.6 | Y16 A19 K89 R111 S114 | Y16-M116 WeakPolarHBondContact O-CA 3.35Å; Y16-M116 WeakPolarHBondContact O-CG 3.28Å; A19-M116 HydrophobicContact CB-CE 3.98Å; A19-M116 HydrophobicContact CB-SD 4.21Å; K89-M116 HydrophobicContact CB-CE 4.3Å; K89-M116 HydrophobicContact CD-CE 4.07Å; R111-M116 CarbonylContact C-O 3.59Å; R111-M116 VanDerWaalsContact C-O 3.31Å; R111-M116 HydrophobicContact CB-CB 4.14Å; R111-M116 HydrophobicContact CG-CE 4.31Å; R111-M116 PolarHBondContact O-N 3.17Å; S114-M116 VanDerWaalsContact C-N 3.29Å; S114-M116 VanDerWaalsContact CB-CE 3.42Å | ||
| 117 | I | 92.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.036 | 10% | 0.098 | C | C | . | . | trans | -84.9 | -24.2 | -172.4 | 62.5 | 171.6 | 0 | 0 | 0 | 114.4 | G115 V127 I128 P130 L134 I136 | G115-I117 PolarHBondContact O-N 2.72Å; I117-V127 HydrophobicContact CD1-CG1 4.5Å; I117-V127 WeakPolarHBondContact O-CA 3.45Å; I117-I128 WeakPolarHBondContact CB-O 3.3Å; I117-I128 PolarHBondContact O-N 3.3Å; I117-P130 HydrophobicContact CD1-CG 4.05Å; I117-P130 HydrophobicContact CG2-CB 3.9Å; I117-P130 HydrophobicContact CG2-CG 4.08Å; I117-L134 HydrophobicContact CD1-CD1 4.21Å; I117-L134 HydrophobicContact CG1-CD1 4.37Å; I117-L134 HydrophobicContact CG2-CD1 3.76Å; I117-I136 HydrophobicContact CD1-CD1 4.15Å; I117-I136 HydrophobicContact CG1-CD1 4.33Å | ||
| 118 | Y | 94.4 | Very high | 90 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.4 | 179.5 | -61.9 | -80.1 | 0 | 0 | 0 | 109.8 | R111 V127 I136 Y137 P155 H156 V157 N190 | R111-Y118 PolarHBondContact NH2-O 2.76Å; Y118-V127 HydrophobicContact CD1-CB 4.21Å; Y118-V127 HydrophobicContact CD1-CG1 3.83Å; Y118-V127 HydrophobicContact CD1-CG2 3.45Å; Y118-V127 VanDerWaalsContact CD1-CG2 3.45Å; Y118-V127 HydrophobicContact CE1-CB 4.26Å; Y118-V127 HydrophobicContact CE1-CG1 3.58Å; Y118-V127 HydrophobicContact CE1-CG2 3.63Å; Y118-I136 HydrophobicContact CD2-CD1 4.31Å; Y118-I136 HydrophobicContact CE2-CD1 3.79Å; Y118-Y137 HydrophobicContact CE2-CE1 4.38Å; Y118-Y137 PolarHBondContact OH-OH 3.05Å; Y118-P155 VanDerWaalsContact CB-O 3.32Å; Y118-P155 WeakPolarHBondContact CB-O 3.24Å; Y118-P155 WeakPolarHBondContact O-CB 3.09Å; Y118-H156 AromaticContact CD2-CD2 3.56Å; Y118-H156 AromaticContact CE2-CD2 3.49Å; Y118-H156 VanDerWaalsContact CE2-CD2 3.49Å; Y118-H156 WeakPolarHBondContact CE2-CD2 3.44Å; Y118-H156 AromaticContact CE2-NE2 3.67Å; Y118-V157 HydrophobicContact CD1-CB 4.43Å; Y118-V157 HydrophobicContact CE1-CB 3.74Å; Y118-V157 HydrophobicContact CE1-CG1 4.14Å; Y118-N190 WeakPolarHBondContact CE1-OD1 3.33Å; Y118-N190 PolarHBondContact OH-OD1 2.57Å |
| 119 | T | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.2 | 177 | -50.3 | 0 | 0 | 0 | 0 | 109.4 | M93 L108 R111 C125 V126 | M93-T119 HydrophobicContact CE-CG2 4.39Å; M93-T119 HydrophobicContact CG-CG2 3.89Å; M93-T119 HydrophobicContact SD-CG2 4.29Å; L108-T119 HydrophobicContact CD2-CG2 4.3Å; R111-T119 WeakPolarHBondContact CD-OG1 3.25Å; R111-T119 PolarHBondContact NE-OG1 2.7Å; T119-C125 WeakPolarHBondContact O-CA 3.4Å; T119-C125 PolarHBondContact O-SG 3.5Å; T119-V126 PolarHBondContact N-O 2.82Å; T119-V126 PolarHBondContact O-N 3.35Å |
| 120 | Y | 90.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 18.6 Ų | 18.6 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 152.4 | 175.6 | -69 | -40.3 | 0 | 0 | 0 | 111.6 | A91 D92 M93 C125 R150 P155 A159 I160 | A91-Y120 PolarHBondContact O-N 3.41Å; D92-Y120 VanDerWaalsContact CG-CB 3.49Å; D92-Y120 WeakPolarHBondContact OD2-CB 3.49Å; M93-Y120 PolarHBondContact N-O 2.57Å; Y120-C125 HydrophobicContact CD1-CB 4.31Å; Y120-R150 HydrophobicContact CD2-CG 4.39Å; Y120-R150 HydrophobicContact CE1-CG 3.98Å; Y120-R150 HydrophobicContact CE2-CG 3.69Å; Y120-R150 WeakPolarHBondContact CE2-O 3.3Å; Y120-R150 VanDerWaalsContact CZ-CG 3.46Å; Y120-P155 HydrophobicContact CD1-CB 4.16Å; Y120-P155 HydrophobicContact CD2-CB 3.94Å; Y120-P155 HydrophobicContact CD2-CG 3.68Å; Y120-P155 HydrophobicContact CE1-CB 4.12Å; Y120-P155 HydrophobicContact CE2-CB 3.9Å; Y120-P155 HydrophobicContact CE2-CG 3.85Å; Y120-P155 HydrophobicContact CG-CB 4.05Å; Y120-P155 HydrophobicContact CG-CG 4.13Å; Y120-P155 VanDerWaalsContact CZ-CA 3.48Å; Y120-A159 WeakPolarHBondContact OH-CB 3.44Å; Y120-I160 HydrophobicContact CE1-CG1 4.44Å |
| 121 | S | 86.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 60.6 | -177.5 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | M93 L123 F124 V126 | M93-S121 WeakPolarHBondContact CE-OG 3.21Å; S121-L123 PolarHBondContact O-N 2.88Å; S121-L123 VanDerWaalsContact O-N 3.13Å; S121-F124 VanDerWaalsContact CB-CE2 3.42Å; S121-F124 PolarHBondContact N-O 2.82Å; S121-F124 WeakPolarHBondContact O-CD1 3.49Å; S121-F124 VanDerWaalsContact O-CE1 3.31Å; S121-F124 WeakPolarHBondContact O-CE1 3.25Å; S121-V126 WeakPolarHBondContact OG-CG2 3.28Å |
| 122 | G | 78.1 | Confident | 89.4 | Confident | 12 Ų | 12 | 26.7 Ų | 26.7 | 12% | 0.124 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -95.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D92 R150 | D92-G122 PolarHBondContact OD1-N 2.74Å; G122-R150 PolarHBondContact O-NH1 3.47Å; G122-R150 PolarHBondContact O-NH2 2.77Å |
| 123 | L | 78.8 | Confident | 89.1 | Confident | 78 Ų | 78 | 35.7 Ų | 35.7 | 41% | 0.408 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -22.4 | 179.6 | -69.6 | 172.4 | 0 | 0 | 0 | 113.8 | S121 M502 P719 | S121-L123 PolarHBondContact O-N 2.88Å; S121-L123 VanDerWaalsContact O-N 3.13Å; L123-M502 HydrophobicContact CB-CE 4.12Å; L123-M502 HydrophobicContact CB-SD 4.37Å; L123-M502 HydrophobicContact CD1-CE 3.98Å; L123-M502 HydrophobicContact CD1-SD 4.32Å; L123-P719 HydrophobicContact CD1-CB 4.27Å; L123-P719 HydrophobicContact CD2-CB 4.09Å; L123-P719 HydrophobicContact CG-CB 4.27Å |
| 124 | F | 86.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 172.7 | -176.6 | 61.1 | -86.9 | 0 | 0 | 0 | 111.8 | S121 V126 F498 M502 F678 R680 V707 I711 | S121-F124 VanDerWaalsContact CB-CE2 3.42Å; S121-F124 PolarHBondContact N-O 2.82Å; S121-F124 WeakPolarHBondContact O-CD1 3.49Å; S121-F124 VanDerWaalsContact O-CE1 3.31Å; S121-F124 WeakPolarHBondContact O-CE1 3.25Å; F124-V126 HydrophobicContact CD2-CG2 4.38Å; F124-V126 HydrophobicContact CE2-CG2 4.05Å; F124-F498 HydrophobicContact CD1-CE2 4.02Å; F124-F498 HydrophobicContact CD1-CZ 4.2Å; F124-F498 HydrophobicContact CE1-CE2 4.3Å; F124-F498 AromaticContact CE1-CZ 4Å; F124-F498 HydrophobicContact CE1-CZ 4Å; F124-F498 HydrophobicContact CG-CE2 4.3Å; F124-F498 HydrophobicContact CZ-CZ 4.31Å; F124-M502 HydrophobicContact CD1-CE 4.08Å; F124-M502 HydrophobicContact CE1-CE 4.25Å; F124-F678 HydrophobicContact CB-CB 3.79Å; F124-F678 WeakPolarHBondContact CB-O 3.41Å; F124-R680 HydrophobicContact CD2-CG 3.99Å; F124-R680 HydrophobicContact CE2-CG 4.35Å; F124-V707 HydrophobicContact CE2-CB 4.49Å; F124-V707 HydrophobicContact CE2-CG1 4.05Å; F124-V707 HydrophobicContact CE2-CG2 4.26Å; F124-V707 HydrophobicContact CZ-CG1 4.17Å; F124-I711 HydrophobicContact CZ-CG1 4.47Å |
| 125 | C | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.7 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | T119 Y120 I160 F678 V679 R680 | T119-C125 WeakPolarHBondContact O-CA 3.4Å; T119-C125 PolarHBondContact O-SG 3.5Å; Y120-C125 HydrophobicContact CD1-CB 4.31Å; C125-I160 HydrophobicContact CB-CD1 3.2Å; C125-I160 HydrophobicContact CB-CG1 4.31Å; C125-F678 PolarHBondContact N-O 2.86Å; C125-V679 CarbonylContact O-C 3.55Å; C125-R680 PolarHBondContact O-N 3.34Å |
| 126 | V | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.6 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | M93 L108 T119 S121 F124 R680 I682 V707 | M93-V126 HydrophobicContact CE-CB 4.49Å; M93-V126 HydrophobicContact CE-CG2 4.14Å; L108-V126 HydrophobicContact CD1-CG1 4.32Å; L108-V126 HydrophobicContact CD2-CB 4.43Å; L108-V126 HydrophobicContact CD2-CG1 4Å; T119-V126 PolarHBondContact N-O 2.82Å; T119-V126 PolarHBondContact O-N 3.35Å; S121-V126 WeakPolarHBondContact OG-CG2 3.28Å; F124-V126 HydrophobicContact CD2-CG2 4.38Å; F124-V126 HydrophobicContact CE2-CG2 4.05Å; V126-R680 CarbonylContact C-O 3.58Å; V126-R680 WeakPolarHBondContact CA-O 3.48Å; V126-R680 HydrophobicContact CG2-CB 4.41Å; V126-I682 HydrophobicContact CG1-CG1 3.83Å; V126-V707 HydrophobicContact CG2-CG1 4.08Å; V126-V707 HydrophobicContact CG2-CG2 4.39Å |
| 127 | V | 94.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.8 | -178 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | I117 Y118 V679 R680 C681 I682 | I117-V127 HydrophobicContact CD1-CG1 4.5Å; I117-V127 WeakPolarHBondContact O-CA 3.45Å; Y118-V127 HydrophobicContact CD1-CB 4.21Å; Y118-V127 HydrophobicContact CD1-CG1 3.83Å; Y118-V127 HydrophobicContact CD1-CG2 3.45Å; Y118-V127 VanDerWaalsContact CD1-CG2 3.45Å; Y118-V127 HydrophobicContact CE1-CB 4.26Å; Y118-V127 HydrophobicContact CE1-CG1 3.58Å; Y118-V127 HydrophobicContact CE1-CG2 3.63Å; V127-V679 HydrophobicContact CG2-CG1 3.47Å; V127-V679 VanDerWaalsContact CG2-CG1 3.47Å; V127-R680 PolarHBondContact N-O 2.67Å; V127-C681 CarbonylContact O-C 3.59Å; V127-C681 WeakPolarHBondContact O-CA 3.4Å; V127-I682 PolarHBondContact O-N 2.67Å |
| 128 | I | 93.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.7 | 174.3 | -59.3 | 177.5 | 0 | 0 | 0 | 108.9 | L108 Y112 I117 P130 I682 P684 I693 | L108-I128 HydrophobicContact CB-CD1 3.92Å; L108-I128 HydrophobicContact CD2-CD1 4.26Å; Y112-I128 HydrophobicContact CD2-CB 3.98Å; Y112-I128 HydrophobicContact CD2-CG2 3.48Å; Y112-I128 VanDerWaalsContact CD2-CG2 3.48Å; Y112-I128 HydrophobicContact CE2-CG2 3.66Å; Y112-I128 HydrophobicContact CG-CG2 4.25Å; I117-I128 WeakPolarHBondContact CB-O 3.3Å; I117-I128 PolarHBondContact O-N 3.3Å; I128-P130 VanDerWaalsContact O-CD 3.31Å; I128-P130 WeakPolarHBondContact O-CD 3.42Å; I128-I682 HydrophobicContact CG1-CB 4.22Å; I128-P684 HydrophobicContact CG2-CB 3.79Å; I128-P684 HydrophobicContact CG2-CG 4.36Å; I128-I693 HydrophobicContact CD1-CD1 4.34Å |
| 129 | N | 91.9 | Very high | 87.9 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | trans | -61 | 120.9 | -178.3 | -173 | -2.3 | 0 | 0 | 0 | 111.2 | Y131 G184 A185 I682 P684 | N129-Y131 VanDerWaalsContact C-N 3.34Å; N129-Y131 VanDerWaalsContact ND2-CE1 3.31Å; N129-Y131 WeakPolarHBondContact ND2-CE1 3.49Å; N129-Y131 PolarHBondContact O-N 2.66Å; N129-Y131 PolarHBondContact OD1-N 2.71Å; N129-G184 PolarHBondContact ND2-O 2.85Å; N129-A185 WeakPolarHBondContact CB-O 3.39Å; N129-I682 PolarHBondContact N-O 2.63Å; N129-I682 VanDerWaalsContact N-O 3.16Å; N129-P684 VanDerWaalsContact O-CG 3.27Å; N129-P684 WeakPolarHBondContact O-CG 3.44Å | ||
| 130 | P | 90.3 | Very high | 87.5 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | trans | -76.8 | -15.7 | 178.5 | 29.4 | -34.9 | 0 | 0 | 0 | 114.5 | I117 I128 K132 L134 | I117-P130 HydrophobicContact CD1-CG 4.05Å; I117-P130 HydrophobicContact CG2-CB 3.9Å; I117-P130 HydrophobicContact CG2-CG 4.08Å; I128-P130 VanDerWaalsContact O-CD 3.31Å; I128-P130 WeakPolarHBondContact O-CD 3.42Å; P130-K132 HydrophobicContact CB-CB 4.46Å; P130-K132 WeakPolarHBondContact CG-O 3.49Å; P130-K132 PolarHBondContact O-N 2.74Å; P130-L134 HydrophobicContact CB-CD1 4.18Å; P130-L134 HydrophobicContact CB-CG 4.4Å; P130-L134 HydrophobicContact CG-CD1 4.2Å; P130-L134 HydrophobicContact CG-CG 4.37Å | ||
| 131 | Y | 86.3 | Confident | 87.3 | Confident | 66 Ų | 66 | 45.2 Ų | 45.2 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 52.5 | 19.5 | -165.4 | -63.7 | -65.8 | 0 | 0 | 0 | 114.2 | N129 I683 P684 K688 | N129-Y131 VanDerWaalsContact C-N 3.34Å; N129-Y131 VanDerWaalsContact ND2-CE1 3.31Å; N129-Y131 WeakPolarHBondContact ND2-CE1 3.49Å; N129-Y131 PolarHBondContact O-N 2.66Å; N129-Y131 PolarHBondContact OD1-N 2.71Å; Y131-I683 VanDerWaalsContact OH-CD1 3.28Å; Y131-I683 WeakPolarHBondContact OH-CD1 3.48Å; Y131-I683 VanDerWaalsContact OH-CG1 3.27Å; Y131-I683 WeakPolarHBondContact OH-CG1 3.17Å; Y131-P684 HydrophobicContact CD2-CG 3.94Å; Y131-P684 HydrophobicContact CE2-CG 3.58Å; Y131-K688 HydrophobicContact CE1-CB 4.46Å |
| 132 | K | 86.1 | Confident | 87.4 | Confident | 128 Ų | 128 | 45.3 Ų | 45.3 | 56% | 0.557 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -140.7 | 139.7 | -178.2 | -176.1 | 178.6 | 178.7 | -179.1 | 0 | 110 | P130 L134 | P130-K132 HydrophobicContact CB-CB 4.46Å; P130-K132 WeakPolarHBondContact CG-O 3.49Å; P130-K132 PolarHBondContact O-N 2.74Å; K132-L134 PolarHBondContact O-N 3.48Å; K132-L134 VanDerWaalsContact O-N 3.09Å |
| 133 | K | 85 | Confident | 87.7 | Confident | 203 Ų | 203 | 49.6 Ų | 49.6 | 88% | 0.883 | 24% | 0.235 | S | C | * | . | trans | -72 | 100.2 | 172.8 | -66.1 | -179.8 | -179.6 | 176.6 | 0 | 109.6 | ||||
| 134 | L | 87.5 | Confident | 88.1 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | trans | -81.5 | 143.8 | 174.7 | -60.6 | 178.5 | 0 | 0 | 0 | 110.7 | G115 I117 P130 K132 I136 | G115-L134 WeakPolarHBondContact O-CD1 3.44Å; I117-L134 HydrophobicContact CD1-CD1 4.21Å; I117-L134 HydrophobicContact CG1-CD1 4.37Å; I117-L134 HydrophobicContact CG2-CD1 3.76Å; P130-L134 HydrophobicContact CB-CD1 4.18Å; P130-L134 HydrophobicContact CB-CG 4.4Å; P130-L134 HydrophobicContact CG-CD1 4.2Å; P130-L134 HydrophobicContact CG-CG 4.37Å; K132-L134 PolarHBondContact O-N 3.48Å; K132-L134 VanDerWaalsContact O-N 3.09Å; L134-I136 HydrophobicContact CB-CD1 4.14Å; L134-I136 HydrophobicContact CB-CG1 4.08Å; L134-I136 HydrophobicContact CB-CG2 4.37Å; L134-I136 HydrophobicContact CD1-CD1 4.33Å; L134-I136 PolarHBondContact O-N 2.95Å | ||
| 135 | P | 86.7 | Confident | 88.2 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -77.5 | 41 | -177.4 | 34.2 | -37.2 | 0 | 0 | 0 | 113.7 | Y16 | Y16-P135 HydrophobicContact CD2-CG 3.73Å; Y16-P135 HydrophobicContact CE2-CG 3.58Å |
| 136 | I | 89 | Confident | 88.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | -103.6 | 2.6 | -174.2 | 62.2 | -179.4 | 0 | 0 | 0 | 113.8 | L17 I117 Y118 L134 I141 | L17-I136 HydrophobicContact CD2-CB 4.24Å; L17-I136 HydrophobicContact CD2-CG2 4.03Å; L17-I136 HydrophobicContact CG-CG2 4.06Å; I117-I136 HydrophobicContact CD1-CD1 4.15Å; I117-I136 HydrophobicContact CG1-CD1 4.33Å; Y118-I136 HydrophobicContact CD2-CD1 4.31Å; Y118-I136 HydrophobicContact CE2-CD1 3.79Å; L134-I136 HydrophobicContact CB-CD1 4.14Å; L134-I136 HydrophobicContact CB-CG1 4.08Å; L134-I136 HydrophobicContact CB-CG2 4.37Å; L134-I136 HydrophobicContact CD1-CD1 4.33Å; L134-I136 PolarHBondContact O-N 2.95Å; I136-I141 WeakPolarHBondContact O-CG2 2.94Å | ||
| 137 | Y | 89 | Confident | 87.6 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | trans | -113.6 | 26.8 | -175.4 | -51.4 | -66.7 | 0 | 0 | 0 | 113.2 | Y118 H156 F158 K193 Q196 | Y118-Y137 HydrophobicContact CE2-CE1 4.38Å; Y118-Y137 PolarHBondContact OH-OH 3.05Å; Y137-H156 AromaticContact CD1-CE1 3.87Å; Y137-H156 AromaticContact CD1-NE2 3.78Å; Y137-H156 AromaticContact CE1-CE1 3.8Å; Y137-H156 AromaticContact CE1-NE2 3.47Å; Y137-H156 WeakPolarHBondContact CE1-NE2 3.17Å; Y137-F158 HydrophobicContact CD1-CE1 4.47Å; Y137-F158 AromaticContact CD1-CZ 3.96Å; Y137-F158 HydrophobicContact CD1-CZ 3.96Å; Y137-K193 HydrophobicContact CD1-CB 4.35Å; Y137-K193 HydrophobicContact CD1-CD 3.61Å; Y137-K193 HydrophobicContact CD1-CG 3.72Å; Y137-K193 HydrophobicContact CD2-CD 4.28Å; Y137-K193 VanDerWaalsContact CD2-CE 3.5Å; Y137-K193 HydrophobicContact CE1-CB 4.26Å; Y137-K193 HydrophobicContact CE1-CD 3.96Å; Y137-K193 HydrophobicContact CE1-CG 3.56Å; Y137-K193 HydrophobicContact CG-CD 3.78Å; Y137-K193 VanDerWaalsContact CG-CE 3.48Å; Y137-K193 HydrophobicContact CG-CG 4.33Å; Y137-Q196 PolarHBondContact O-NE2 3.47Å | ||
| 138 | T | 86 | Confident | 87.1 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -79.9 | 159.5 | -179.9 | 67.9 | 0 | 0 | 0 | 0 | 111 | K140 I141 V142 | T138-K140 PolarHBondContact O-N 3.48Å; T138-I141 WeakPolarHBondContact O-CB 3.09Å; T138-I141 PolarHBondContact O-N 2.74Å; T138-I141 WeakPolarHBondContact OG1-CG1 3.41Å; T138-V142 PolarHBondContact O-N 3.49Å |
| 139 | E | 83.2 | Confident | 86.3 | Confident | 89 Ų | 89 | 58 Ų | 58 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -32.4 | 178.4 | -64.6 | -176 | -178 | 0 | 0 | 112.7 | I141 V142 E143 Y200 | E139-I141 VanDerWaalsContact C-N 3.3Å; E139-I141 PolarHBondContact O-N 2.51Å; E139-V142 WeakPolarHBondContact O-CB 3Å; E139-V142 PolarHBondContact O-N 2.75Å; E139-V142 VanDerWaalsContact O-N 3.13Å; E139-E143 WeakPolarHBondContact O-CG 3.21Å; E139-E143 PolarHBondContact O-N 2.73Å; E139-Y200 HydrophobicContact CB-CE2 4.18Å; E139-Y200 HydrophobicContact CG-CE2 3.92Å |
| 140 | K | 83.8 | Confident | 85.6 | Confident | 129 Ų | 129 | 59.4 Ų | 59.4 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.6 | -41.9 | 173.5 | -65.5 | -176.3 | -177.8 | 178.2 | 0 | 111.8 | T138 E143 L144 | T138-K140 PolarHBondContact O-N 3.48Å; K140-E143 PolarHBondContact O-N 2.79Å; K140-L144 PolarHBondContact O-N 3.46Å |
| 141 | I | 86.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 175.1 | -59.3 | -62.1 | 0 | 0 | 0 | 110.2 | L17 I136 T138 E139 E143 L144 Y145 F158 | L17-I141 HydrophobicContact CD1-CD1 3.87Å; L17-I141 HydrophobicContact CD1-CG2 4.31Å; I136-I141 WeakPolarHBondContact O-CG2 2.94Å; T138-I141 WeakPolarHBondContact O-CB 3.09Å; T138-I141 PolarHBondContact O-N 2.74Å; T138-I141 WeakPolarHBondContact OG1-CG1 3.41Å; E139-I141 VanDerWaalsContact C-N 3.3Å; E139-I141 PolarHBondContact O-N 2.51Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 2.79Å; I141-L144 HydrophobicContact CD1-CD2 4.39Å; I141-L144 WeakPolarHBondContact O-CB 3.18Å; I141-L144 PolarHBondContact O-N 2.67Å; I141-L144 VanDerWaalsContact O-N 3.17Å; I141-Y145 HydrophobicContact CG2-CD2 3.74Å; I141-Y145 HydrophobicContact CG2-CE2 3.66Å; I141-Y145 VanDerWaalsContact O-CD2 3.27Å; I141-Y145 WeakPolarHBondContact O-CD2 3.47Å; I141-Y145 PolarHBondContact O-N 3.04Å; I141-Y145 VanDerWaalsContact O-N 3.14Å; I141-F158 HydrophobicContact CG2-CD2 4.12Å; I141-F158 HydrophobicContact CG2-CE2 4.16Å |
| 142 | V | 87.4 | Confident | 84.4 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.2 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | T138 E139 L144 Y145 K146 F158 Y197 Y200 V201 | T138-V142 PolarHBondContact O-N 3.49Å; E139-V142 WeakPolarHBondContact O-CB 3Å; E139-V142 PolarHBondContact O-N 2.75Å; E139-V142 VanDerWaalsContact O-N 3.13Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 2.84Å; V142-Y145 PolarHBondContact O-N 3.34Å; V142-K146 PolarHBondContact O-N 3.44Å; V142-K146 VanDerWaalsContact O-N 3.15Å; V142-F158 HydrophobicContact CG2-CD2 4.26Å; V142-F158 HydrophobicContact CG2-CE2 3.61Å; V142-F158 HydrophobicContact CG2-CZ 3.92Å; V142-Y197 HydrophobicContact CB-CD2 4.49Å; V142-Y197 HydrophobicContact CG1-CD2 3.76Å; V142-Y197 HydrophobicContact CG1-CE2 3.83Å; V142-Y197 HydrophobicContact CG2-CD2 4.42Å; V142-Y200 HydrophobicContact CB-CD1 4.15Å; V142-Y200 HydrophobicContact CB-CE1 4.19Å; V142-Y200 HydrophobicContact CG1-CD1 3.22Å; V142-Y200 HydrophobicContact CG1-CE1 3.65Å; V142-Y200 HydrophobicContact CG1-CG 3.78Å; V142-V201 HydrophobicContact CG1-CG2 4.19Å |
| 143 | E | 85.4 | Confident | 84.2 | Confident | 101 Ų | 101 | 58.2 Ų | 58.2 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 175.4 | -66.5 | -116.2 | 148.6 | 0 | 0 | 112.5 | E139 K140 I141 Y145 K146 Y200 R206 | E139-E143 WeakPolarHBondContact O-CG 3.21Å; E139-E143 PolarHBondContact O-N 2.73Å; K140-E143 PolarHBondContact O-N 2.79Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 2.79Å; E143-Y145 VanDerWaalsContact C-N 3.32Å; E143-Y145 PolarHBondContact O-N 3.29Å; E143-K146 PolarHBondContact O-N 2.97Å; E143-Y200 HydrophobicContact CG-CE1 4.2Å; E143-Y200 PolarHBondContact OE1-OH 2.65Å; E143-R206 IonicContact OE1-CZ 2.7Å; E143-R206 IonicContact OE1-NH1 3.11Å; E143-R206 PolarHBondContact OE1-NH1 2.87Å; E143-R206 IonicContact OE1-NH2 2.81Å; E143-R206 PolarHBondContact OE1-NH2 3.15Å |
| 144 | L | 86 | Confident | 84.3 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 176 | 178.5 | 68.1 | 0 | 0 | 0 | 112.3 | W5 L8 L14 K140 I141 V142 K148 | W5-L144 HydrophobicContact CB-CD1 3.95Å; W5-L144 HydrophobicContact CE3-CD1 4.12Å; W5-L144 HydrophobicContact CE3-CD2 4.36Å; L8-L144 HydrophobicContact CD1-CD1 4.28Å; L14-L144 HydrophobicContact CD2-CD2 4.1Å; K140-L144 PolarHBondContact O-N 3.46Å; I141-L144 HydrophobicContact CD1-CD2 4.39Å; I141-L144 WeakPolarHBondContact O-CB 3.18Å; I141-L144 PolarHBondContact O-N 2.67Å; I141-L144 VanDerWaalsContact O-N 3.17Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 2.84Å; L144-K148 WeakPolarHBondContact O-CG 2.97Å |
| 145 | Y | 89.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -85.1 | -16.3 | -177.3 | -80.4 | -97.7 | 0 | 0 | 0 | 113.7 | L17 I141 V142 E143 G147 K148 V153 P154 H156 F158 A159 Y197 | L17-Y145 HydrophobicContact CD1-CE2 4.44Å; I141-Y145 HydrophobicContact CG2-CD2 3.74Å; I141-Y145 HydrophobicContact CG2-CE2 3.66Å; I141-Y145 VanDerWaalsContact O-CD2 3.27Å; I141-Y145 WeakPolarHBondContact O-CD2 3.47Å; I141-Y145 PolarHBondContact O-N 3.04Å; I141-Y145 VanDerWaalsContact O-N 3.14Å; V142-Y145 PolarHBondContact O-N 3.34Å; E143-Y145 VanDerWaalsContact C-N 3.32Å; E143-Y145 PolarHBondContact O-N 3.29Å; Y145-G147 PolarHBondContact O-N 2.79Å; Y145-G147 VanDerWaalsContact O-N 3.16Å; Y145-K148 PolarHBondContact O-N 3.34Å; Y145-V153 HydrophobicContact CD1-CB 3.96Å; Y145-V153 HydrophobicContact CD1-CG1 4.4Å; Y145-V153 HydrophobicContact CD1-CG2 3.62Å; Y145-V153 HydrophobicContact CE1-CB 3.68Å; Y145-V153 HydrophobicContact CE1-CG2 3.58Å; Y145-P154 VanDerWaalsContact CE1-O 3.28Å; Y145-P154 WeakPolarHBondContact CE1-O 3.31Å; Y145-P154 WeakPolarHBondContact OH-CG 3.34Å; Y145-P154 PolarHBondContact OH-O 2.63Å; Y145-H156 HydrophobicContact CD1-CB 4.38Å; Y145-H156 HydrophobicContact CE1-CB 3.49Å; Y145-H156 VanDerWaalsContact CE1-CB 3.49Å; Y145-H156 HydrophobicContact CE2-CB 4.23Å; Y145-H156 WeakPolarHBondContact OH-CB 3.23Å; Y145-F158 HydrophobicContact CD1-CB 4.07Å; Y145-F158 HydrophobicContact CD2-CB 4.48Å; Y145-F158 HydrophobicContact CD2-CD2 4.45Å; Y145-F158 HydrophobicContact CG-CB 3.9Å; Y145-A159 HydrophobicContact CD1-CB 3.74Å; Y145-A159 HydrophobicContact CE1-CB 3.83Å; Y145-Y197 PolarHBondContact O-OH 2.57Å |
| 146 | K | 88.1 | Confident | 84.8 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 116 | -175 | -176.5 | -178.9 | 173.8 | -178.2 | 0 | 111.9 | V142 E143 K148 Y197 V201 | V142-K146 PolarHBondContact O-N 3.44Å; V142-K146 VanDerWaalsContact O-N 3.15Å; E143-K146 PolarHBondContact O-N 2.97Å; K146-K148 PolarHBondContact O-N 2.93Å; K146-Y197 VanDerWaalsContact CA-OH 3.28Å; K146-Y197 WeakPolarHBondContact CA-OH 3.16Å; K146-Y197 PolarHBondContact N-OH 2.64Å; K146-V201 HydrophobicContact CG-CG1 4.27Å; K146-V201 HydrophobicContact CG-CG2 4.31Å |
| 147 | G | 83.5 | Confident | 85 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 45% | 0.454 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 10.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y145 D162 R166 | Y145-G147 PolarHBondContact O-N 2.79Å; Y145-G147 VanDerWaalsContact O-N 3.16Å; G147-D162 WeakPolarHBondContact CA-OD2 3.39Å; G147-D162 PolarHBondContact N-OD1 2.69Å; G147-D162 PolarHBondContact N-OD2 2.74Å; G147-R166 PolarHBondContact O-NH1 2.59Å |
| 148 | K | 82.8 | Confident | 85.2 | Confident | 80 Ų | 80 | 43.3 Ų | 43.3 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | trans | -89.1 | 132.7 | -179.5 | -68 | -56.1 | -169.4 | 172.6 | 0 | 111.4 | L144 Y145 K146 V153 R166 | L144-K148 WeakPolarHBondContact O-CG 2.97Å; Y145-K148 PolarHBondContact O-N 3.34Å; K146-K148 PolarHBondContact O-N 2.93Å; K148-V153 HydrophobicContact CB-CG1 3.56Å; K148-V153 HydrophobicContact CB-CG2 4.38Å; K148-V153 HydrophobicContact CG-CG1 3.93Å; K148-R166 PolarHBondContact O-NH1 2.71Å; K148-R166 PolarHBondContact O-NH2 2.82Å | ||
| 149 | K | 77.1 | Confident | 85.5 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 19% | 0.191 | 20% | 0.197 | C | C | . | . | trans | -63.3 | 150.4 | -179.2 | -56.1 | 178.4 | -162.1 | 174.3 | 0 | 109.8 | H151 E152 E782 D786 | K149-H151 PolarHBondContact O-N 3.3Å; K149-H151 VanDerWaalsContact O-N 3.07Å; K149-E152 HydrophobicContact CB-CG 3.97Å; K149-E152 WeakPolarHBondContact CD-OE1 3.44Å; K149-E152 WeakPolarHBondContact CG-OE1 3.07Å; K149-E152 PolarHBondContact N-OE2 3.48Å; K149-E152 WeakPolarHBondContact O-CB 3.28Å; K149-E152 PolarHBondContact O-N 2.76Å; K149-E782 IonicContact NZ-OE2 3.79Å; K149-E782 PolarHBondContact NZ-OE2 3.34Å; K149-D786 IonicContact NZ-OD2 2.67Å; K149-D786 PolarHBondContact NZ-OD2 2.8Å | ||
| 150 | R | 78.8 | Confident | 85.9 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 21% | 0.211 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -34.5 | -173 | -179.5 | -179.9 | 152.6 | -159.5 | -16.7 | 114.6 | D92 Y120 G122 V153 | D92-R150 IonicContact OD2-NH2 3.21Å; D92-R150 PolarHBondContact OD2-NH2 3.44Å; Y120-R150 HydrophobicContact CD2-CG 4.39Å; Y120-R150 HydrophobicContact CE1-CG 3.98Å; Y120-R150 HydrophobicContact CE2-CG 3.69Å; Y120-R150 WeakPolarHBondContact CE2-O 3.3Å; Y120-R150 VanDerWaalsContact CZ-CG 3.46Å; G122-R150 PolarHBondContact O-NH1 3.47Å; G122-R150 PolarHBondContact O-NH2 2.77Å; R150-V153 VanDerWaalsContact O-O 3.08Å |
| 151 | H | 74.7 | Confident | 86.4 | Confident | 115 Ų | 115 | 31 Ų | 31 | 53% | 0.532 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -14.7 | -179.5 | 59.7 | -90.9 | 0 | 0 | 0 | 113.7 | K149 V153 | K149-H151 PolarHBondContact O-N 3.3Å; K149-H151 VanDerWaalsContact O-N 3.07Å; H151-V153 VanDerWaalsContact C-N 3.34Å |
| 152 | E | 75.2 | Confident | 86.6 | Confident | 65 Ų | 65 | 31.1 Ų | 31.1 | 30% | 0.304 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -19.6 | 178 | -64.3 | 169.6 | -176.9 | 0 | 0 | 112.4 | K149 | K149-E152 HydrophobicContact CB-CG 3.97Å; K149-E152 WeakPolarHBondContact CD-OE1 3.44Å; K149-E152 WeakPolarHBondContact CG-OE1 3.07Å; K149-E152 PolarHBondContact N-OE2 3.48Å; K149-E152 WeakPolarHBondContact O-CB 3.28Å; K149-E152 PolarHBondContact O-N 2.76Å |
| 153 | V | 83 | Confident | 86.8 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -122.8 | 149.9 | -176.5 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | Y145 K148 R150 H151 A159 | Y145-V153 HydrophobicContact CD1-CB 3.96Å; Y145-V153 HydrophobicContact CD1-CG1 4.4Å; Y145-V153 HydrophobicContact CD1-CG2 3.62Å; Y145-V153 HydrophobicContact CE1-CB 3.68Å; Y145-V153 HydrophobicContact CE1-CG2 3.58Å; K148-V153 HydrophobicContact CB-CG1 3.56Å; K148-V153 HydrophobicContact CB-CG2 4.38Å; K148-V153 HydrophobicContact CG-CG1 3.93Å; R150-V153 VanDerWaalsContact O-O 3.08Å; H151-V153 VanDerWaalsContact C-N 3.34Å; V153-A159 HydrophobicContact CG2-CB 4.05Å |
| 154 | P | 87.1 | Confident | 87.1 | Confident | 15 Ų | 15 | 28 Ų | 28 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | trans | -61 | 162.8 | 176.8 | 18.1 | -24.2 | 0 | 0 | 0 | 112 | W5 L17 V18 Y145 H156 | W5-P154 HydrophobicContact CH2-CG 4.3Å; W5-P154 HydrophobicContact CZ3-CG 4.47Å; L17-P154 HydrophobicContact CB-CB 4.28Å; L17-P154 HydrophobicContact CB-CG 3.96Å; L17-P154 WeakPolarHBondContact O-CB 3.4Å; V18-P154 HydrophobicContact CG2-CG 4.26Å; Y145-P154 VanDerWaalsContact CE1-O 3.28Å; Y145-P154 WeakPolarHBondContact CE1-O 3.31Å; Y145-P154 WeakPolarHBondContact OH-CG 3.34Å; Y145-P154 PolarHBondContact OH-O 2.63Å; P154-H156 PolarHBondContact O-N 2.72Å | ||
| 155 | P | 91.3 | Very high | 87.5 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -61 | 126.2 | 179.3 | -21.4 | 31.9 | 0 | 0 | 0 | 112.5 | A91 Y118 Y120 | A91-P155 HydrophobicContact CB-CG 3.73Å; A91-P155 VanDerWaalsContact O-CG 3.3Å; A91-P155 WeakPolarHBondContact O-CG 3.36Å; Y118-P155 VanDerWaalsContact CB-O 3.32Å; Y118-P155 WeakPolarHBondContact CB-O 3.24Å; Y118-P155 WeakPolarHBondContact O-CB 3.09Å; Y120-P155 HydrophobicContact CD1-CB 4.16Å; Y120-P155 HydrophobicContact CD2-CB 3.94Å; Y120-P155 HydrophobicContact CD2-CG 3.68Å; Y120-P155 HydrophobicContact CE1-CB 4.12Å; Y120-P155 HydrophobicContact CE2-CB 3.9Å; Y120-P155 HydrophobicContact CE2-CG 3.85Å; Y120-P155 HydrophobicContact CG-CB 4.05Å; Y120-P155 HydrophobicContact CG-CG 4.13Å; Y120-P155 VanDerWaalsContact CZ-CA 3.48Å |
| 156 | H | 92.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -161.9 | 153.9 | 175.6 | -165.4 | -99.5 | 0 | 0 | 0 | 111.3 | Y118 Y137 Y145 P154 F158 A159 | Y118-H156 AromaticContact CD2-CD2 3.56Å; Y118-H156 AromaticContact CE2-CD2 3.49Å; Y118-H156 VanDerWaalsContact CE2-CD2 3.49Å; Y118-H156 WeakPolarHBondContact CE2-CD2 3.44Å; Y118-H156 AromaticContact CE2-NE2 3.67Å; Y137-H156 AromaticContact CD1-CE1 3.87Å; Y137-H156 AromaticContact CD1-NE2 3.78Å; Y137-H156 AromaticContact CE1-CE1 3.8Å; Y137-H156 AromaticContact CE1-NE2 3.47Å; Y137-H156 WeakPolarHBondContact CE1-NE2 3.17Å; Y145-H156 HydrophobicContact CD1-CB 4.38Å; Y145-H156 HydrophobicContact CE1-CB 3.49Å; Y145-H156 VanDerWaalsContact CE1-CB 3.49Å; Y145-H156 HydrophobicContact CE2-CB 4.23Å; Y145-H156 WeakPolarHBondContact OH-CB 3.23Å; P154-H156 PolarHBondContact O-N 2.72Å; H156-F158 AromaticContact CE1-CD1 3.71Å; H156-F158 AromaticContact CE1-CD2 3.27Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.33Å; H156-F158 AromaticContact CE1-CE1 3.91Å; H156-F158 AromaticContact CE1-CE2 3.49Å; H156-F158 VanDerWaalsContact CE1-CE2 3.49Å; H156-F158 WeakPolarHBondContact CE1-CE2 3.3Å; H156-F158 AromaticContact CE1-CG 3.39Å; H156-F158 WeakPolarHBondContact CE1-CG 3.43Å; H156-F158 AromaticContact CE1-CZ 3.81Å; H156-F158 VanDerWaalsContact ND1-CB 3.31Å; H156-F158 WeakPolarHBondContact ND1-CB 3.22Å; H156-F158 AromaticContact ND1-CD1 3.77Å; H156-F158 AromaticContact ND1-CD2 3.3Å; H156-F158 VanDerWaalsContact ND1-CD2 3.3Å; H156-F158 WeakPolarHBondContact ND1-CD2 3.19Å; H156-F158 AromaticContact ND1-CG 3.15Å; H156-F158 WeakPolarHBondContact ND1-CG 3.18Å; H156-F158 PolarHBondContact ND1-N 2.65Å; H156-F158 VanDerWaalsContact ND1-N 3.11Å; H156-F158 PolarHBondContact O-N 2.96Å; H156-A159 WeakPolarHBondContact O-CB 3.25Å; H156-A159 PolarHBondContact O-N 2.65Å | ||
| 157 | V | 93.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.3 | -30.1 | 176.3 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | Y118 A159 I160 T161 K193 V194 | Y118-V157 HydrophobicContact CD1-CB 4.43Å; Y118-V157 HydrophobicContact CE1-CB 3.74Å; Y118-V157 HydrophobicContact CE1-CG1 4.14Å; V157-A159 VanDerWaalsContact C-N 3.35Å; V157-A159 PolarHBondContact O-N 2.76Å; V157-I160 PolarHBondContact O-N 3.2Å; V157-T161 PolarHBondContact O-N 2.66Å; V157-T161 PolarHBondContact O-OG1 2.64Å; V157-K193 HydrophobicContact CG1-CB 3.89Å; V157-V194 HydrophobicContact CG2-CG2 3.51Å |
| 158 | F | 94 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 175.8 | -65.7 | -15.2 | 0 | 0 | 0 | 112.7 | Y137 I141 V142 Y145 H156 T161 D162 K193 Y197 | Y137-F158 HydrophobicContact CD1-CE1 4.47Å; Y137-F158 AromaticContact CD1-CZ 3.96Å; Y137-F158 HydrophobicContact CD1-CZ 3.96Å; I141-F158 HydrophobicContact CG2-CD2 4.12Å; I141-F158 HydrophobicContact CG2-CE2 4.16Å; V142-F158 HydrophobicContact CG2-CD2 4.26Å; V142-F158 HydrophobicContact CG2-CE2 3.61Å; V142-F158 HydrophobicContact CG2-CZ 3.92Å; Y145-F158 HydrophobicContact CD1-CB 4.07Å; Y145-F158 HydrophobicContact CD2-CB 4.48Å; Y145-F158 HydrophobicContact CD2-CD2 4.45Å; Y145-F158 HydrophobicContact CG-CB 3.9Å; H156-F158 AromaticContact CE1-CD1 3.71Å; H156-F158 AromaticContact CE1-CD2 3.27Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.33Å; H156-F158 AromaticContact CE1-CE1 3.91Å; H156-F158 AromaticContact CE1-CE2 3.49Å; H156-F158 VanDerWaalsContact CE1-CE2 3.49Å; H156-F158 WeakPolarHBondContact CE1-CE2 3.3Å; H156-F158 AromaticContact CE1-CG 3.39Å; H156-F158 WeakPolarHBondContact CE1-CG 3.43Å; H156-F158 AromaticContact CE1-CZ 3.81Å; H156-F158 VanDerWaalsContact ND1-CB 3.31Å; H156-F158 WeakPolarHBondContact ND1-CB 3.22Å; H156-F158 AromaticContact ND1-CD1 3.77Å; H156-F158 AromaticContact ND1-CD2 3.3Å; H156-F158 VanDerWaalsContact ND1-CD2 3.3Å; H156-F158 WeakPolarHBondContact ND1-CD2 3.19Å; H156-F158 AromaticContact ND1-CG 3.15Å; H156-F158 WeakPolarHBondContact ND1-CG 3.18Å; H156-F158 PolarHBondContact ND1-N 2.65Å; H156-F158 VanDerWaalsContact ND1-N 3.11Å; H156-F158 PolarHBondContact O-N 2.96Å; F158-T161 PolarHBondContact O-N 2.65Å; F158-D162 VanDerWaalsContact O-CB 3.31Å; F158-D162 WeakPolarHBondContact O-CB 3.48Å; F158-D162 PolarHBondContact O-N 2.69Å; F158-K193 HydrophobicContact CE1-CB 4.1Å; F158-K193 WeakPolarHBondContact CE1-O 3.24Å; F158-Y197 HydrophobicContact CB-CD2 3.52Å; F158-Y197 HydrophobicContact CB-CE2 3.63Å; F158-Y197 HydrophobicContact CB-CG 4.2Å; F158-Y197 AromaticContact CD1-CD2 3.49Å; F158-Y197 HydrophobicContact CD1-CD2 3.49Å; F158-Y197 VanDerWaalsContact CD1-CD2 3.49Å; F158-Y197 HydrophobicContact CD1-CE2 4.45Å; F158-Y197 AromaticContact CD1-CG 3.79Å; F158-Y197 HydrophobicContact CD1-CG 3.79Å; F158-Y197 AromaticContact CD2-CD2 3.85Å; F158-Y197 HydrophobicContact CD2-CD2 3.85Å; F158-Y197 HydrophobicContact CD2-CE2 4.27Å; F158-Y197 HydrophobicContact CE1-CD2 4.11Å; F158-Y197 HydrophobicContact CE1-CG 4.4Å; F158-Y197 HydrophobicContact CE2-CD2 4.44Å; F158-Y197 AromaticContact CG-CD2 3.33Å; F158-Y197 HydrophobicContact CG-CD2 3.33Å; F158-Y197 AromaticContact CG-CE2 3.89Å; F158-Y197 HydrophobicContact CG-CE2 3.89Å; F158-Y197 HydrophobicContact CG-CG 4.06Å |
| 159 | A | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y120 Y145 V153 H156 V157 T161 D162 T163 | Y120-A159 WeakPolarHBondContact OH-CB 3.44Å; Y145-A159 HydrophobicContact CD1-CB 3.74Å; Y145-A159 HydrophobicContact CE1-CB 3.83Å; V153-A159 HydrophobicContact CG2-CB 4.05Å; H156-A159 WeakPolarHBondContact O-CB 3.25Å; H156-A159 PolarHBondContact O-N 2.65Å; V157-A159 VanDerWaalsContact C-N 3.35Å; V157-A159 PolarHBondContact O-N 2.76Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-D162 PolarHBondContact O-N 2.68Å; A159-T163 WeakPolarHBondContact O-CB 3.48Å; A159-T163 PolarHBondContact O-N 2.64Å; A159-T163 PolarHBondContact O-OG1 3.41Å |
| 160 | I | 92.1 | Very high | 88.5 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.1 | -55 | 168.7 | 0 | 0 | 0 | 109.6 | Y120 C125 V157 T163 A164 H677 V679 | Y120-I160 HydrophobicContact CE1-CG1 4.44Å; C125-I160 HydrophobicContact CB-CD1 3.2Å; C125-I160 HydrophobicContact CB-CG1 4.31Å; V157-I160 PolarHBondContact O-N 3.2Å; I160-T163 PolarHBondContact O-N 2.74Å; I160-A164 PolarHBondContact O-N 2.83Å; I160-H677 HydrophobicContact CG2-CB 4.01Å; I160-V679 HydrophobicContact CD1-CG2 3.78Å; I160-V679 HydrophobicContact CG2-CG2 4.43Å |
| 161 | T | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 177.8 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | V157 F158 A159 T163 A164 Y165 I177 V194 Y197 L198 | V157-T161 PolarHBondContact O-N 2.66Å; V157-T161 PolarHBondContact O-OG1 2.64Å; F158-T161 PolarHBondContact O-N 2.65Å; A159-T161 VanDerWaalsContact C-N 3.33Å; T161-T163 VanDerWaalsContact C-N 3.33Å; T161-A164 PolarHBondContact O-N 2.67Å; T161-Y165 WeakPolarHBondContact O-CB 3.37Å; T161-Y165 PolarHBondContact O-N 2.7Å; T161-I177 HydrophobicContact CG2-CD1 4.33Å; T161-V194 HydrophobicContact CG2-CG1 3.8Å; T161-Y197 HydrophobicContact CG2-CD1 3.56Å; T161-Y197 HydrophobicContact CG2-CE1 4.35Å; T161-Y197 HydrophobicContact CG2-CG 4.29Å; T161-L198 HydrophobicContact CG2-CD1 4.15Å; T161-L198 HydrophobicContact CG2-CD2 3.66Å; T161-L198 HydrophobicContact CG2-CG 3.58Å |
| 162 | D | 92.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -31.7 | 177.1 | -170.2 | 76 | 0 | 0 | 0 | 112.4 | G147 F158 A159 R166 Y197 | G147-D162 WeakPolarHBondContact CA-OD2 3.39Å; G147-D162 PolarHBondContact N-OD1 2.69Å; G147-D162 PolarHBondContact N-OD2 2.74Å; F158-D162 VanDerWaalsContact O-CB 3.31Å; F158-D162 WeakPolarHBondContact O-CB 3.48Å; F158-D162 PolarHBondContact O-N 2.69Å; A159-D162 PolarHBondContact O-N 2.68Å; D162-R166 WeakPolarHBondContact O-CB 3.05Å; D162-R166 WeakPolarHBondContact O-CG 3.15Å; D162-R166 PolarHBondContact O-N 3.47Å; D162-R166 PolarHBondContact O-NE 2.67Å; D162-R166 IonicContact OD2-CZ 3.97Å; D162-R166 IonicContact OD2-NE 2.64Å; D162-R166 PolarHBondContact OD2-NE 3.4Å; D162-R166 IonicContact OD2-NH1 2.65Å; D162-R166 IonicContact OD2-NH2 2.77Å; D162-R166 PolarHBondContact OD2-NH2 2.6Å; D162-Y197 HydrophobicContact CB-CE1 3.75Å; D162-Y197 VanDerWaalsContact CB-OH 3.31Å; D162-Y197 WeakPolarHBondContact CB-OH 3.5Å; D162-Y197 PolarHBondContact OD1-OH 2.6Å |
| 163 | T | 90.2 | Very high | 89.8 | Confident | 37 Ų | 37 | 37.2 Ų | 37.2 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -51 | 172.3 | -56.5 | 0 | 0 | 0 | 0 | 110 | A159 I160 T161 Y165 R166 S167 | A159-T163 WeakPolarHBondContact O-CB 3.48Å; A159-T163 PolarHBondContact O-N 2.64Å; A159-T163 PolarHBondContact O-OG1 3.41Å; I160-T163 PolarHBondContact O-N 2.74Å; T161-T163 VanDerWaalsContact C-N 3.33Å; T163-Y165 VanDerWaalsContact C-N 3.32Å; T163-Y165 PolarHBondContact O-N 2.8Å; T163-R166 PolarHBondContact O-N 2.96Å; T163-S167 WeakPolarHBondContact O-CB 3.01Å; T163-S167 PolarHBondContact O-N 2.98Å; T163-S167 PolarHBondContact O-OG 3.45Å |
| 164 | A | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | I160 T161 S167 M168 Q175 I177 | I160-A164 PolarHBondContact O-N 2.83Å; T161-A164 PolarHBondContact O-N 2.67Å; A164-S167 PolarHBondContact O-N 3.25Å; A164-M168 WeakPolarHBondContact O-CB 3.46Å; A164-M168 PolarHBondContact O-N 2.79Å; A164-Q175 HydrophobicContact CB-CB 4.47Å; A164-I177 HydrophobicContact CB-CD1 4.1Å; A164-I177 HydrophobicContact CB-CG1 4.22Å |
| 165 | Y | 93.4 | Very high | 90.6 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 11% | 0.106 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.1 | 178.1 | -109.6 | 0 | 0 | 0 | 112.6 | T161 T163 M168 L169 L198 V201 A202 F261 G265 I466 | T161-Y165 WeakPolarHBondContact O-CB 3.37Å; T161-Y165 PolarHBondContact O-N 2.7Å; T163-Y165 VanDerWaalsContact C-N 3.32Å; T163-Y165 PolarHBondContact O-N 2.8Å; Y165-M168 HydrophobicContact CD2-CE 3.97Å; Y165-M168 HydrophobicContact CE2-CE 4.08Å; Y165-L169 HydrophobicContact CD1-CD1 4.22Å; Y165-L169 HydrophobicContact CE1-CD1 3.67Å; Y165-L169 HydrophobicContact CE2-CD1 4.25Å; Y165-L169 WeakPolarHBondContact O-CG 3.4Å; Y165-L169 PolarHBondContact O-N 2.92Å; Y165-L198 HydrophobicContact CD2-CD2 4.23Å; Y165-L198 HydrophobicContact CG-CD2 4.41Å; Y165-V201 HydrophobicContact CD1-CG1 4.38Å; Y165-V201 HydrophobicContact CE1-CG1 4.09Å; Y165-A202 HydrophobicContact CE2-CB 3.88Å; Y165-F261 HydrophobicContact CD2-CE1 4.02Å; Y165-F261 HydrophobicContact CD2-CZ 4.33Å; Y165-F261 HydrophobicContact CE2-CD1 4.02Å; Y165-F261 AromaticContact CE2-CE1 3.79Å; Y165-F261 HydrophobicContact CE2-CE1 3.79Å; Y165-G265 WeakPolarHBondContact CE2-O 3.42Å; Y165-G265 PolarHBondContact OH-O 3.46Å; Y165-I466 HydrophobicContact CD2-CD1 4.4Å |
| 166 | R | 90.1 | Very high | 90.7 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 25% | 0.253 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.7 | -41.5 | 176.2 | -77.4 | -177.9 | -69.7 | 175.6 | -3.7 | 113 | G147 K148 D162 T163 M168 L169 Q170 | G147-R166 PolarHBondContact O-NH1 2.59Å; K148-R166 PolarHBondContact O-NH1 2.71Å; K148-R166 PolarHBondContact O-NH2 2.82Å; D162-R166 WeakPolarHBondContact O-CB 3.05Å; D162-R166 WeakPolarHBondContact O-CG 3.15Å; D162-R166 PolarHBondContact O-N 3.47Å; D162-R166 PolarHBondContact O-NE 2.67Å; D162-R166 IonicContact OD2-CZ 3.97Å; D162-R166 IonicContact OD2-NE 2.64Å; D162-R166 PolarHBondContact OD2-NE 3.4Å; D162-R166 IonicContact OD2-NH1 2.65Å; D162-R166 IonicContact OD2-NH2 2.77Å; D162-R166 PolarHBondContact OD2-NH2 2.6Å; T163-R166 PolarHBondContact O-N 2.96Å; R166-M168 VanDerWaalsContact C-N 3.32Å; R166-M168 PolarHBondContact O-N 3.4Å; R166-L169 PolarHBondContact O-N 3.26Å; R166-L169 VanDerWaalsContact O-N 3.13Å; R166-Q170 WeakPolarHBondContact O-CB 3.41Å; R166-Q170 PolarHBondContact O-N 3.12Å |
| 167 | S | 88 | Confident | 90.9 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | T163 A164 L169 Q170 D171 | T163-S167 WeakPolarHBondContact O-CB 3.01Å; T163-S167 PolarHBondContact O-N 2.98Å; T163-S167 PolarHBondContact O-OG 3.45Å; A164-S167 PolarHBondContact O-N 3.25Å; S167-L169 VanDerWaalsContact C-N 3.3Å; S167-L169 PolarHBondContact O-N 2.82Å; S167-Q170 PolarHBondContact O-N 3.13Å; S167-D171 VanDerWaalsContact O-CB 3.29Å; S167-D171 WeakPolarHBondContact O-CB 3.47Å; S167-D171 PolarHBondContact O-N 3.43Å |
| 168 | M | 91.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -41.7 | 174.2 | -174.5 | -165.2 | 69.3 | 0 | 0 | 112.6 | A164 Y165 R166 R172 Q175 F261 S464 I466 | A164-M168 WeakPolarHBondContact O-CB 3.46Å; A164-M168 PolarHBondContact O-N 2.79Å; Y165-M168 HydrophobicContact CD2-CE 3.97Å; Y165-M168 HydrophobicContact CE2-CE 4.08Å; R166-M168 VanDerWaalsContact C-N 3.32Å; R166-M168 PolarHBondContact O-N 3.4Å; M168-R172 WeakPolarHBondContact O-CA 3.11Å; M168-R172 PolarHBondContact O-N 2.91Å; M168-R172 VanDerWaalsContact O-N 3.11Å; M168-Q175 HydrophobicContact CB-CG 3.69Å; M168-Q175 HydrophobicContact CG-CG 4.39Å; M168-F261 HydrophobicContact CE-CB 3.71Å; M168-F261 HydrophobicContact CE-CD1 3.97Å; M168-F261 HydrophobicContact CE-CD2 3.55Å; M168-F261 HydrophobicContact CE-CE1 4.47Å; M168-F261 HydrophobicContact CE-CE2 4.13Å; M168-F261 HydrophobicContact CE-CG 3.46Å; M168-F261 VanDerWaalsContact CE-CG 3.46Å; M168-F261 HydrophobicContact SD-CB 4.19Å; M168-F261 HydrophobicContact SD-CD2 3.34Å; M168-F261 WeakPolarHBondContact SD-CD2 3.5Å; M168-F261 HydrophobicContact SD-CE2 3.87Å; M168-F261 HydrophobicContact SD-CG 3.89Å; M168-S464 PolarHBondContact SD-OG 2.68Å; M168-I466 HydrophobicContact SD-CD1 4.1Å; M168-I466 HydrophobicContact SD-CG1 3.68Å |
| 169 | L | 88.1 | Confident | 90.7 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 37% | 0.366 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -73 | -33.4 | 179.4 | -66.5 | 175.4 | 0 | 0 | 0 | 113.2 | Y165 R166 S167 | Y165-L169 HydrophobicContact CD1-CD1 4.22Å; Y165-L169 HydrophobicContact CE1-CD1 3.67Å; Y165-L169 HydrophobicContact CE2-CD1 4.25Å; Y165-L169 WeakPolarHBondContact O-CG 3.4Å; Y165-L169 PolarHBondContact O-N 2.92Å; R166-L169 PolarHBondContact O-N 3.26Å; R166-L169 VanDerWaalsContact O-N 3.13Å; S167-L169 VanDerWaalsContact C-N 3.3Å; S167-L169 PolarHBondContact O-N 2.82Å |
| 170 | Q | 85.4 | Confident | 90.5 | Very high | 106 Ų | 106 | 38.7 Ų | 38.7 | 50% | 0.495 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -79.8 | -51.1 | -179.3 | -176.8 | 176.7 | -16.7 | 0 | 0 | 111.5 | R166 S167 E726 | R166-Q170 WeakPolarHBondContact O-CB 3.41Å; R166-Q170 PolarHBondContact O-N 3.12Å; S167-Q170 PolarHBondContact O-N 3.13Å; Q170-E726 PolarHBondContact NE2-OE1 3.44Å; Q170-E726 VanDerWaalsContact NE2-OE1 3.14Å |
| 171 | D | 83.5 | Confident | 90 | Very high | 76 Ų | 76 | 38 Ų | 38 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -83.1 | -21.4 | -172.2 | -54.1 | -27.4 | 0 | 0 | 0 | 111.8 | S167 E173 | S167-D171 VanDerWaalsContact O-CB 3.29Å; S167-D171 WeakPolarHBondContact O-CB 3.47Å; S167-D171 PolarHBondContact O-N 3.43Å; D171-E173 HydrophobicContact CB-CB 4.37Å; D171-E173 HydrophobicContact CB-CG 4.47Å; D171-E173 PolarHBondContact O-N 2.64Å |
| 172 | R | 85.3 | Confident | 89.4 | Confident | 206 Ų | 206 | 39.1 Ų | 39.1 | 78% | 0.777 | 18% | 0.183 | S | C | * | . | trans | 57.2 | 29.6 | -172.2 | -55.1 | -176.9 | 177.3 | -175.3 | 0.2 | 113.2 | M168 | M168-R172 WeakPolarHBondContact O-CA 3.11Å; M168-R172 PolarHBondContact O-N 2.91Å; M168-R172 VanDerWaalsContact O-N 3.11Å | ||
| 173 | E | 87.3 | Confident | 88.7 | Confident | 114 Ų | 114 | 39.1 Ų | 39.1 | 53% | 0.533 | 18% | 0.183 | S | C | . | . | trans | -115.7 | 151.2 | 176.9 | -67.2 | -175.5 | 172.5 | 0 | 0 | 111.3 | D171 Q175 | D171-E173 HydrophobicContact CB-CB 4.37Å; D171-E173 HydrophobicContact CB-CG 4.47Å; D171-E173 PolarHBondContact O-N 2.64Å; E173-Q175 PolarHBondContact O-NE2 2.7Å | ||
| 174 | D | 92.3 | Very high | 88.1 | Confident | 50 Ų | 50 | 37.7 Ų | 37.7 | 27% | 0.267 | 18% | 0.176 | S | C | . | . | trans | -68.3 | 140.1 | 179.9 | -62.9 | -40.5 | 0 | 0 | 0 | 111.8 | S464 F465 C674 T675 | D174-S464 VanDerWaalsContact OD1-CA 3.27Å; D174-S464 WeakPolarHBondContact OD1-CA 3.43Å; D174-F465 HydrophobicContact CB-CD1 3.84Å; D174-F465 HydrophobicContact CB-CE1 3.64Å; D174-F465 HydrophobicContact CB-CE2 4.41Å; D174-F465 HydrophobicContact CB-CG 4.35Å; D174-F465 HydrophobicContact CB-CZ 3.94Å; D174-F465 WeakPolarHBondContact OD1-CD1 3.35Å; D174-F465 PolarHBondContact OD1-N 2.7Å; D174-F465 WeakPolarHBondContact OD2-CD1 2.95Å; D174-F465 WeakPolarHBondContact OD2-CE1 2.87Å; D174-C674 WeakPolarHBondContact O-CA 3.25Å; D174-T675 PolarHBondContact O-N 3.42Å | ||
| 175 | Q | 94.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 157.7 | -177.4 | -53.6 | -69.5 | -52.5 | 0 | 0 | 110.5 | A164 M168 E173 F465 I466 G467 H677 | A164-Q175 HydrophobicContact CB-CB 4.47Å; M168-Q175 HydrophobicContact CB-CG 3.69Å; M168-Q175 HydrophobicContact CG-CG 4.39Å; E173-Q175 PolarHBondContact O-NE2 2.7Å; Q175-F465 PolarHBondContact N-O 3.24Å; Q175-I466 HydrophobicContact CB-CG1 4.26Å; Q175-I466 CarbonylContact O-C 3.57Å; Q175-I466 VanDerWaalsContact O-CA 3.32Å; Q175-I466 WeakPolarHBondContact O-CA 3.35Å; Q175-G467 PolarHBondContact O-N 3.45Å; Q175-H677 PolarHBondContact OE1-NE2 2.86Å |
| 176 | S | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145 | 172.2 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | L178 G467 T675 P676 H677 | S176-L178 WeakPolarHBondContact OG-CD1 3.4Å; S176-G467 CarbonylContact C-O 3.48Å; S176-G467 WeakPolarHBondContact CA-O 3.41Å; S176-G467 WeakPolarHBondContact CB-O 3.34Å; S176-T675 PolarHBondContact N-O 2.76Å; S176-T675 PolarHBondContact OG-O 3.48Å; S176-P676 CarbonylContact O-C 2.98Å; S176-P676 WeakPolarHBondContact OG-CA 3.25Å; S176-H677 WeakPolarHBondContact O-CB 3.29Å; S176-H677 PolarHBondContact O-CD2 2.73Å; S176-H677 PolarHBondContact O-N 2.79Å |
| 177 | I | 95.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.1 | 175.6 | -59.6 | 171.5 | 0 | 0 | 0 | 107.8 | T161 A164 V194 I466 G467 I468 L469 H677 V679 | T161-I177 HydrophobicContact CG2-CD1 4.33Å; A164-I177 HydrophobicContact CB-CD1 4.1Å; A164-I177 HydrophobicContact CB-CG1 4.22Å; I177-V194 HydrophobicContact CD1-CG1 3.63Å; I177-V194 HydrophobicContact CG2-CG2 4.37Å; I177-I466 HydrophobicContact CD1-CG2 4.11Å; I177-I466 HydrophobicContact CG1-CG2 4.27Å; I177-G467 PolarHBondContact N-O 2.72Å; I177-I468 WeakPolarHBondContact O-CA 3.4Å; I177-L469 PolarHBondContact O-N 2.66Å; I177-H677 CarbonylContact C-O 3.56Å; I177-H677 WeakPolarHBondContact CA-O 3.43Å; I177-H677 HydrophobicContact CG1-CB 4.19Å; I177-V679 HydrophobicContact CG2-CG2 4.27Å |
| 178 | L | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.7 | -175.6 | -64.7 | 85.5 | 0 | 0 | 0 | 109.8 | S176 T180 L469 L494 L497 L671 P676 H677 F678 V679 | S176-L178 WeakPolarHBondContact OG-CD1 3.4Å; L178-T180 HydrophobicContact CB-CG2 4.41Å; L178-L469 HydrophobicContact CD2-CD2 4.18Å; L178-L469 HydrophobicContact CG-CB 4.4Å; L178-L469 HydrophobicContact CG-CD2 4.46Å; L178-L494 HydrophobicContact CD2-CD2 4.18Å; L178-L497 HydrophobicContact CD2-CD2 4.12Å; L178-L671 HydrophobicContact CD1-CD2 4.45Å; L178-L671 HydrophobicContact CD2-CD1 4.25Å; L178-L671 HydrophobicContact CD2-CD2 4.27Å; L178-L671 HydrophobicContact CG-CD2 4.4Å; L178-P676 HydrophobicContact CD1-CB 3.7Å; L178-H677 PolarHBondContact N-O 3.46Å; L178-F678 HydrophobicContact CB-CD1 4.03Å; L178-F678 HydrophobicContact CB-CE1 4.3Å; L178-F678 HydrophobicContact CD1-CE1 4.45Å; L178-F678 HydrophobicContact CD2-CE1 3.97Å; L178-F678 HydrophobicContact CG-CE1 4.49Å; L178-V679 PolarHBondContact O-N 2.7Å |
| 179 | C | 90.6 | Very high | 86.9 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 102 | 173.2 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | K187 L469 V679 | C179-K187 HydrophobicContact CB-CB 4.34Å; C179-K187 WeakPolarHBondContact O-CD 3.42Å; C179-L469 PolarHBondContact N-O 3.11Å; C179-V679 WeakPolarHBondContact CA-O 3.34Å |
| 180 | T | 87 | Confident | 87 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 162.6 | -178.1 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | L178 V679 R680 C681 | L178-T180 HydrophobicContact CB-CG2 4.41Å; T180-V679 PolarHBondContact N-O 3.48Å; T180-R680 WeakPolarHBondContact OG1-CD 3.26Å; T180-R680 VanDerWaalsContact OG1-CZ 3.29Å; T180-R680 PolarHBondContact OG1-NE 2.49Å; T180-R680 PolarHBondContact OG1-NH1 3.26Å; T180-C681 VanDerWaalsContact O-CB 3.3Å; T180-C681 WeakPolarHBondContact O-CB 3.33Å; T180-C681 PolarHBondContact O-N 3.29Å |
| 181 | G | 81.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145 | 169.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K187 G473 C681 | G181-K187 PolarHBondContact O-NZ 2.61Å; G181-G473 VanDerWaalsContact O-CA 3.25Å; G181-G473 WeakPolarHBondContact O-CA 3.36Å; G181-C681 VanDerWaalsContact CA-O 3.31Å; G181-C681 WeakPolarHBondContact CA-O 3.2Å |
| 182 | E | 80.5 | Confident | 87.6 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 11% | 0.107 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -59.7 | 160.8 | 177.7 | -69.9 | -171.1 | -164.2 | 0 | 0 | 113 | G184 A185 K187 Y686 Q701 | E182-G184 PolarHBondContact O-N 2.63Å; E182-A185 VanDerWaalsContact O-CB 3.24Å; E182-A185 WeakPolarHBondContact O-CB 3.42Å; E182-A185 PolarHBondContact O-N 3.3Å; E182-A185 VanDerWaalsContact O-N 3.14Å; E182-K187 PolarHBondContact O-NZ 2.51Å; E182-Y686 PolarHBondContact OE2-OH 2.66Å; E182-Q701 HydrophobicContact CG-CG 4.4Å; E182-Q701 WeakPolarHBondContact OE1-CG 3.42Å |
| 183 | S | 78.4 | Confident | 87.9 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.8 | 173.6 | -165 | 0 | 0 | 0 | 0 | 110.6 | S250 | S183-S250 PolarHBondContact OG-OG 2.64Š|
| 184 | G | 78.6 | Confident | 88.2 | Confident | 7 Ų | 7 | 15.4 Ų | 15.4 | 7% | 0.072 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -3.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | N129 E182 G186 N247 | N129-G184 PolarHBondContact ND2-O 2.85Å; E182-G184 PolarHBondContact O-N 2.63Å; G184-G186 PolarHBondContact O-N 3.46Å; G184-G186 VanDerWaalsContact O-N 3.11Å; G184-N247 PolarHBondContact N-ND2 2.81Å |
| 185 | A | 84.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -70.9 | -1.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N129 E182 C681 | N129-A185 WeakPolarHBondContact CB-O 3.39Å; E182-A185 VanDerWaalsContact O-CB 3.24Å; E182-A185 WeakPolarHBondContact O-CB 3.42Å; E182-A185 PolarHBondContact O-N 3.3Å; E182-A185 VanDerWaalsContact O-N 3.14Å; A185-C681 HydrophobicContact CB-CB 3.66Å; A185-C681 WeakPolarHBondContact O-CB 3.38Å |
| 186 | G | 85.2 | Confident | 87.9 | Confident | 13 Ų | 13 | 15.4 Ų | 15.4 | 13% | 0.134 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 91.2 | 20.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G184 T188 E189 N190 | G184-G186 PolarHBondContact O-N 3.46Å; G184-G186 VanDerWaalsContact O-N 3.11Å; G186-T188 PolarHBondContact O-N 3.46Å; G186-E189 PolarHBondContact O-N 2.59Å; G186-N190 PolarHBondContact O-N 2.61Å; G186-N190 VanDerWaalsContact O-N 3.1Å; G186-N190 PolarHBondContact O-ND2 2.67Å |
| 187 | K | 87.9 | Confident | 87.8 | Confident | 13 Ų | 13 | 15.4 Ų | 15.4 | 6% | 0.057 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -51.6 | -57.4 | 178.4 | -63.9 | -175.6 | -69.4 | -74.3 | 0 | 112.8 | C179 G181 E182 E189 N190 T191 D470 I471 C681 | C179-K187 HydrophobicContact CB-CB 4.34Å; C179-K187 WeakPolarHBondContact O-CD 3.42Å; G181-K187 PolarHBondContact O-NZ 2.61Å; E182-K187 PolarHBondContact O-NZ 2.51Å; K187-E189 VanDerWaalsContact C-N 3.29Å; K187-E189 PolarHBondContact O-N 2.64Å; K187-N190 WeakPolarHBondContact O-CB 3.32Å; K187-N190 PolarHBondContact O-N 3.39Å; K187-N190 VanDerWaalsContact O-N 3.1Å; K187-T191 PolarHBondContact O-N 2.69Å; K187-T191 PolarHBondContact O-OG1 2.61Å; K187-D470 WeakPolarHBondContact CB-OD1 3.39Å; K187-I471 WeakPolarHBondContact CE-O 3.39Å; K187-C681 HydrophobicContact CG-CB 4.22Å |
| 188 | T | 85.1 | Confident | 87.6 | Confident | 19 Ų | 19 | 15.4 Ų | 15.4 | 12% | 0.117 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.8 | -37.2 | -179.6 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | G186 T191 K192 E237 S251 D470 | G186-T188 PolarHBondContact O-N 3.46Å; T188-T191 PolarHBondContact O-N 2.59Å; T188-K192 WeakPolarHBondContact O-CG 3.25Å; T188-K192 PolarHBondContact O-N 2.61Å; T188-E237 WeakPolarHBondContact CG2-OE1 3.21Å; T188-S251 PolarHBondContact OG1-OG 2.71Å; T188-S251 VanDerWaalsContact OG1-OG 3.11Å; T188-D470 VanDerWaalsContact CA-OD2 3.24Å; T188-D470 WeakPolarHBondContact CA-OD2 3.49Å; T188-D470 VanDerWaalsContact CB-OD2 3.26Å; T188-D470 WeakPolarHBondContact CB-OD2 3.25Å; T188-D470 WeakPolarHBondContact CG2-OD2 3.29Å; T188-D470 PolarHBondContact OG1-OD1 2.62Å; T188-D470 PolarHBondContact OG1-OD2 3.45Å |
| 189 | E | 86.8 | Confident | 87.3 | Confident | 93 Ų | 93 | 16 Ų | 16 | 44% | 0.435 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.5 | -70.9 | -60 | 123 | 0 | 0 | 111.3 | G186 K187 T191 K192 K193 | G186-E189 PolarHBondContact O-N 2.59Å; K187-E189 VanDerWaalsContact C-N 3.29Å; K187-E189 PolarHBondContact O-N 2.64Å; E189-T191 PolarHBondContact O-N 3.38Å; E189-K192 WeakPolarHBondContact O-CB 3.41Å; E189-K192 PolarHBondContact O-N 3.24Å; E189-K192 IonicContact OE1-NZ 2.81Å; E189-K192 PolarHBondContact OE1-NZ 2.81Å; E189-K193 WeakPolarHBondContact O-CG 3.29Å; E189-K193 PolarHBondContact O-N 3.08Å; E189-K193 VanDerWaalsContact O-N 3.15Å |
| 190 | N | 91.5 | Very high | 87 | Confident | 7 Ų | 7 | 17.7 Ų | 17.7 | 4% | 0.037 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 174 | -73.1 | -64.6 | 0 | 0 | 0 | 111.6 | Y118 G186 K187 K192 K193 V194 C681 | Y118-N190 WeakPolarHBondContact CE1-OD1 3.33Å; Y118-N190 PolarHBondContact OH-OD1 2.57Å; G186-N190 PolarHBondContact O-N 2.61Å; G186-N190 VanDerWaalsContact O-N 3.1Å; G186-N190 PolarHBondContact O-ND2 2.67Å; K187-N190 WeakPolarHBondContact O-CB 3.32Å; K187-N190 PolarHBondContact O-N 3.39Å; K187-N190 VanDerWaalsContact O-N 3.1Å; N190-K192 VanDerWaalsContact C-N 3.35Å; N190-K192 PolarHBondContact O-N 2.72Å; N190-K193 WeakPolarHBondContact O-CA 3.19Å; N190-K193 WeakPolarHBondContact O-CB 3.12Å; N190-K193 PolarHBondContact O-N 3.02Å; N190-V194 WeakPolarHBondContact O-CG2 3.49Å; N190-V194 PolarHBondContact O-N 3.1Å; N190-C681 PolarHBondContact ND2-SG 2.77Å; N190-C681 VanDerWaalsContact ND2-SG 3.4Å |
| 191 | T | 90.4 | Very high | 87 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.4 | -44.1 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | K187 T188 E189 K193 V194 I195 I257 I468 D470 | K187-T191 PolarHBondContact O-N 2.69Å; K187-T191 PolarHBondContact O-OG1 2.61Å; T188-T191 PolarHBondContact O-N 2.59Å; E189-T191 PolarHBondContact O-N 3.38Å; T191-K193 VanDerWaalsContact C-N 3.27Å; T191-K193 PolarHBondContact O-N 2.62Å; T191-V194 PolarHBondContact O-N 2.61Å; T191-I195 HydrophobicContact CG2-CD1 4.18Å; T191-I195 WeakPolarHBondContact O-CG1 3.49Å; T191-I195 PolarHBondContact O-N 2.59Å; T191-I195 VanDerWaalsContact O-N 3.08Å; T191-I257 HydrophobicContact CG2-CD1 4.24Å; T191-I468 HydrophobicContact CG2-CG2 3.69Å; T191-D470 HydrophobicContact CG2-CB 4.21Å |
| 192 | K | 89.6 | Confident | 87.1 | Confident | 45 Ų | 45 | 18.2 Ų | 18.2 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 173.8 | -71 | 171.9 | -175.2 | 167.6 | 0 | 112 | T188 E189 N190 I195 Q196 E237 | T188-K192 WeakPolarHBondContact O-CG 3.25Å; T188-K192 PolarHBondContact O-N 2.61Å; E189-K192 WeakPolarHBondContact O-CB 3.41Å; E189-K192 PolarHBondContact O-N 3.24Å; E189-K192 IonicContact OE1-NZ 2.81Å; E189-K192 PolarHBondContact OE1-NZ 2.81Å; N190-K192 VanDerWaalsContact C-N 3.35Å; N190-K192 PolarHBondContact O-N 2.72Å; K192-I195 PolarHBondContact O-N 3.32Å; K192-Q196 VanDerWaalsContact O-CB 3.29Å; K192-Q196 WeakPolarHBondContact O-CB 3.23Å; K192-Q196 PolarHBondContact O-N 2.69Å; K192-E237 WeakPolarHBondContact CE-OE1 3.07Å; K192-E237 IonicContact NZ-OE1 3.44Å; K192-E237 PolarHBondContact NZ-OE1 2.58Å; K192-E237 IonicContact NZ-OE2 3.38Å; K192-E237 PolarHBondContact NZ-OE2 2.67Å |
| 193 | K | 91.8 | Very high | 86.7 | Confident | 39 Ų | 39 | 17.5 Ų | 17.5 | 17% | 0.17 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70 | -39 | 178.8 | -60.6 | -46.2 | -179.4 | -172.3 | 0 | 112.5 | Y137 V157 F158 E189 N190 T191 Q196 Y197 | Y137-K193 HydrophobicContact CD1-CB 4.35Å; Y137-K193 HydrophobicContact CD1-CD 3.61Å; Y137-K193 HydrophobicContact CD1-CG 3.72Å; Y137-K193 HydrophobicContact CD2-CD 4.28Å; Y137-K193 VanDerWaalsContact CD2-CE 3.5Å; Y137-K193 HydrophobicContact CE1-CB 4.26Å; Y137-K193 HydrophobicContact CE1-CD 3.96Å; Y137-K193 HydrophobicContact CE1-CG 3.56Å; Y137-K193 HydrophobicContact CG-CD 3.78Å; Y137-K193 VanDerWaalsContact CG-CE 3.48Å; Y137-K193 HydrophobicContact CG-CG 4.33Å; V157-K193 HydrophobicContact CG1-CB 3.89Å; F158-K193 HydrophobicContact CE1-CB 4.1Å; F158-K193 WeakPolarHBondContact CE1-O 3.24Å; E189-K193 WeakPolarHBondContact O-CG 3.29Å; E189-K193 PolarHBondContact O-N 3.08Å; E189-K193 VanDerWaalsContact O-N 3.15Å; N190-K193 WeakPolarHBondContact O-CA 3.19Å; N190-K193 WeakPolarHBondContact O-CB 3.12Å; N190-K193 PolarHBondContact O-N 3.02Å; T191-K193 VanDerWaalsContact C-N 3.27Å; T191-K193 PolarHBondContact O-N 2.62Å; K193-Q196 PolarHBondContact O-N 3.44Å; K193-Y197 WeakPolarHBondContact O-CB 3.27Å; K193-Y197 PolarHBondContact O-N 3.44Å |
| 194 | V | 93.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.8 | -50.2 | 171.4 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | V157 T161 I177 N190 T191 Q196 Y197 L198 I468 | V157-V194 HydrophobicContact CG2-CG2 3.51Å; T161-V194 HydrophobicContact CG2-CG1 3.8Å; I177-V194 HydrophobicContact CD1-CG1 3.63Å; I177-V194 HydrophobicContact CG2-CG2 4.37Å; N190-V194 WeakPolarHBondContact O-CG2 3.49Å; N190-V194 PolarHBondContact O-N 3.1Å; T191-V194 PolarHBondContact O-N 2.61Å; V194-Q196 PolarHBondContact O-N 2.68Å; V194-Y197 WeakPolarHBondContact O-CB 3.22Å; V194-Y197 PolarHBondContact O-N 2.62Å; V194-L198 HydrophobicContact CG1-CD1 4.22Å; V194-L198 PolarHBondContact O-N 2.83Å; V194-I468 HydrophobicContact CB-CD1 4.4Å; V194-I468 HydrophobicContact CG1-CD1 3.6Å; V194-I468 HydrophobicContact CG1-CG1 4.09Å |
| 195 | I | 91.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 179 | -63.7 | 168.2 | 0 | 0 | 0 | 111.2 | T191 K192 Y197 L198 A199 L229 L230 I257 I259 I468 | T191-I195 HydrophobicContact CG2-CD1 4.18Å; T191-I195 WeakPolarHBondContact O-CG1 3.49Å; T191-I195 PolarHBondContact O-N 2.59Å; T191-I195 VanDerWaalsContact O-N 3.08Å; K192-I195 PolarHBondContact O-N 3.32Å; I195-Y197 PolarHBondContact O-N 2.59Å; I195-L198 PolarHBondContact O-N 3.37Å; I195-A199 WeakPolarHBondContact O-CB 3.09Å; I195-A199 PolarHBondContact O-N 3.26Å; I195-L229 HydrophobicContact CG2-CD2 3.86Å; I195-L229 HydrophobicContact CG2-CG 3.74Å; I195-L230 HydrophobicContact CG2-CD2 3.95Å; I195-I257 HydrophobicContact CD1-CD1 3.65Å; I195-I259 HydrophobicContact CG1-CD1 4.43Å; I195-I468 HydrophobicContact CG1-CD1 3.75Å |
| 196 | Q | 89.7 | Confident | 83.6 | Confident | 51 Ų | 51 | 27 Ų | 27 | 24% | 0.238 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57 | -39.1 | 176.4 | -175.3 | -173.8 | -10.7 | 0 | 0 | 112 | Y137 K192 K193 V194 Y200 L230 | Y137-Q196 PolarHBondContact O-NE2 3.47Å; K192-Q196 VanDerWaalsContact O-CB 3.29Å; K192-Q196 WeakPolarHBondContact O-CB 3.23Å; K192-Q196 PolarHBondContact O-N 2.69Å; K193-Q196 PolarHBondContact O-N 3.44Å; V194-Q196 PolarHBondContact O-N 2.68Å; Q196-Y200 PolarHBondContact O-N 2.9Å; Q196-L230 HydrophobicContact CB-CD2 4.24Å |
| 197 | Y | 91.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69 | -51.6 | 177.6 | -173.1 | -93.7 | 0 | 0 | 0 | 112 | V142 Y145 K146 F158 T161 D162 K193 V194 I195 A199 Y200 V201 | V142-Y197 HydrophobicContact CB-CD2 4.49Å; V142-Y197 HydrophobicContact CG1-CD2 3.76Å; V142-Y197 HydrophobicContact CG1-CE2 3.83Å; V142-Y197 HydrophobicContact CG2-CD2 4.42Å; Y145-Y197 PolarHBondContact O-OH 2.57Å; K146-Y197 VanDerWaalsContact CA-OH 3.28Å; K146-Y197 WeakPolarHBondContact CA-OH 3.16Å; K146-Y197 PolarHBondContact N-OH 2.64Å; F158-Y197 HydrophobicContact CB-CD2 3.52Å; F158-Y197 HydrophobicContact CB-CE2 3.63Å; F158-Y197 HydrophobicContact CB-CG 4.2Å; F158-Y197 AromaticContact CD1-CD2 3.49Å; F158-Y197 HydrophobicContact CD1-CD2 3.49Å; F158-Y197 VanDerWaalsContact CD1-CD2 3.49Å; F158-Y197 HydrophobicContact CD1-CE2 4.45Å; F158-Y197 AromaticContact CD1-CG 3.79Å; F158-Y197 HydrophobicContact CD1-CG 3.79Å; F158-Y197 AromaticContact CD2-CD2 3.85Å; F158-Y197 HydrophobicContact CD2-CD2 3.85Å; F158-Y197 HydrophobicContact CD2-CE2 4.27Å; F158-Y197 HydrophobicContact CE1-CD2 4.11Å; F158-Y197 HydrophobicContact CE1-CG 4.4Å; F158-Y197 HydrophobicContact CE2-CD2 4.44Å; F158-Y197 AromaticContact CG-CD2 3.33Å; F158-Y197 HydrophobicContact CG-CD2 3.33Å; F158-Y197 AromaticContact CG-CE2 3.89Å; F158-Y197 HydrophobicContact CG-CE2 3.89Å; F158-Y197 HydrophobicContact CG-CG 4.06Å; T161-Y197 HydrophobicContact CG2-CD1 3.56Å; T161-Y197 HydrophobicContact CG2-CE1 4.35Å; T161-Y197 HydrophobicContact CG2-CG 4.29Å; D162-Y197 HydrophobicContact CB-CE1 3.75Å; D162-Y197 VanDerWaalsContact CB-OH 3.31Å; D162-Y197 WeakPolarHBondContact CB-OH 3.5Å; D162-Y197 PolarHBondContact OD1-OH 2.6Å; K193-Y197 WeakPolarHBondContact O-CB 3.27Å; K193-Y197 PolarHBondContact O-N 3.44Å; V194-Y197 WeakPolarHBondContact O-CB 3.22Å; V194-Y197 PolarHBondContact O-N 2.62Å; I195-Y197 PolarHBondContact O-N 2.59Å; Y197-A199 PolarHBondContact O-N 2.8Å; Y197-Y200 PolarHBondContact O-N 2.65Å; Y197-Y200 VanDerWaalsContact O-N 3.07Å; Y197-V201 HydrophobicContact CD1-CG2 4.12Å; Y197-V201 HydrophobicContact CD2-CG2 4.41Å; Y197-V201 HydrophobicContact CE1-CB 4.34Å; Y197-V201 HydrophobicContact CE1-CG2 3.68Å; Y197-V201 HydrophobicContact CE2-CG2 4Å; Y197-V201 HydrophobicContact CG-CG2 4.47Å; Y197-V201 PolarHBondContact O-N 3.48Å |
| 198 | L | 91.1 | Very high | 79.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 179.6 | -69.3 | 172.9 | 0 | 0 | 0 | 111.8 | T161 Y165 V194 I195 Y200 V201 A202 I259 F261 I267 I466 I468 | T161-L198 HydrophobicContact CG2-CD1 4.15Å; T161-L198 HydrophobicContact CG2-CD2 3.66Å; T161-L198 HydrophobicContact CG2-CG 3.58Å; Y165-L198 HydrophobicContact CD2-CD2 4.23Å; Y165-L198 HydrophobicContact CG-CD2 4.41Å; V194-L198 HydrophobicContact CG1-CD1 4.22Å; V194-L198 PolarHBondContact O-N 2.83Å; I195-L198 PolarHBondContact O-N 3.37Å; L198-Y200 PolarHBondContact O-N 3.31Å; L198-Y200 VanDerWaalsContact O-N 3.15Å; L198-V201 PolarHBondContact O-N 2.87Å; L198-A202 WeakPolarHBondContact O-CB 2.97Å; L198-A202 PolarHBondContact O-N 3.29Å; L198-I259 HydrophobicContact CD1-CD1 3.76Å; L198-F261 HydrophobicContact CD1-CZ 4.46Å; L198-F261 HydrophobicContact CD2-CZ 4.23Å; L198-I267 HydrophobicContact CB-CD1 4.48Å; L198-I466 HydrophobicContact CD1-CD1 4.43Å; L198-I466 HydrophobicContact CD2-CD1 4.14Å; L198-I468 HydrophobicContact CD1-CD1 4.31Å |
| 199 | A | 87.3 | Confident | 77.9 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -25.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I195 Y197 E226 L230 | I195-A199 WeakPolarHBondContact O-CB 3.09Å; I195-A199 PolarHBondContact O-N 3.26Å; Y197-A199 PolarHBondContact O-N 2.8Å; A199-E226 HydrophobicContact CB-CB 4.06Å; A199-E226 HydrophobicContact CB-CG 4.4Å; A199-L230 HydrophobicContact CB-CD1 4.4Å |
| 200 | Y | 84.8 | Confident | 75.7 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -90.3 | -42.1 | 177.7 | -173.5 | -86.8 | 0 | 0 | 0 | 112.9 | E139 V142 E143 Q196 Y197 L198 R206 | E139-Y200 HydrophobicContact CB-CE2 4.18Å; E139-Y200 HydrophobicContact CG-CE2 3.92Å; V142-Y200 HydrophobicContact CB-CD1 4.15Å; V142-Y200 HydrophobicContact CB-CE1 4.19Å; V142-Y200 HydrophobicContact CG1-CD1 3.22Å; V142-Y200 HydrophobicContact CG1-CE1 3.65Å; V142-Y200 HydrophobicContact CG1-CG 3.78Å; E143-Y200 HydrophobicContact CG-CE1 4.2Å; E143-Y200 PolarHBondContact OE1-OH 2.65Å; Q196-Y200 PolarHBondContact O-N 2.9Å; Y197-Y200 PolarHBondContact O-N 2.65Å; Y197-Y200 VanDerWaalsContact O-N 3.07Å; L198-Y200 PolarHBondContact O-N 3.31Å; L198-Y200 VanDerWaalsContact O-N 3.15Å; Y200-R206 VanDerWaalsContact CZ-CZ 3.48Å; Y200-R206 PolarHBondContact OH-NH2 3.23Å |
| 201 | V | 85.7 | Confident | 72.9 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -79 | -41.4 | -175 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | V142 K146 Y165 Y197 L198 | V142-V201 HydrophobicContact CG1-CG2 4.19Å; K146-V201 HydrophobicContact CG-CG1 4.27Å; K146-V201 HydrophobicContact CG-CG2 4.31Å; Y165-V201 HydrophobicContact CD1-CG1 4.38Å; Y165-V201 HydrophobicContact CE1-CG1 4.09Å; Y197-V201 HydrophobicContact CD1-CG2 4.12Å; Y197-V201 HydrophobicContact CD2-CG2 4.41Å; Y197-V201 HydrophobicContact CE1-CB 4.34Å; Y197-V201 HydrophobicContact CE1-CG2 3.68Å; Y197-V201 HydrophobicContact CE2-CG2 4Å; Y197-V201 HydrophobicContact CG-CG2 4.47Å; Y197-V201 PolarHBondContact O-N 3.48Å; L198-V201 PolarHBondContact O-N 2.87Å |
| 202 | A | 83.7 | Confident | 70.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -102.2 | 12.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y165 L198 F261 G265 F266 I267 | Y165-A202 HydrophobicContact CE2-CB 3.88Å; L198-A202 WeakPolarHBondContact O-CB 2.97Å; L198-A202 PolarHBondContact O-N 3.29Å; A202-F261 HydrophobicContact CB-CD1 4.34Å; A202-F261 HydrophobicContact CB-CE1 3.78Å; A202-G265 WeakPolarHBondContact CB-O 3.34Å; A202-F266 WeakPolarHBondContact O-CA 3.18Å; A202-I267 HydrophobicContact CB-CD1 4.2Å; A202-I267 HydrophobicContact CB-CG1 3.87Å; A202-I267 PolarHBondContact O-N 3.45Å |
| 203 | G | 73.5 | Confident | 67.8 | Low | 9 Ų | 9 | 57.2 Ų | 57.2 | 9% | 0.093 | 33% | 0.334 | C | S | . | . | trans | -77 | 129.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S205 E226 | G203-S205 VanDerWaalsContact C-N 3.25Å; G203-S205 PolarHBondContact O-N 2.62Å; G203-E226 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 204 | A | 64.3 | Low | 65 | Low | 50 Ų | 50 | 65 Ų | 65 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -67.1 | -25 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R206 T207 E226 F266 | A204-R206 PolarHBondContact O-N 3.32Å; A204-R206 VanDerWaalsContact O-N 3.07Å; A204-T207 PolarHBondContact O-OG1 3.45Å; A204-E226 PolarHBondContact N-OE1 3.25Å; A204-F266 HydrophobicContact CB-CD1 4.3Å; A204-F266 HydrophobicContact CB-CG 4.45Å |
| 205 | S | 58 | Low | 62 | Low | 44 Ų | 44 | 68.3 Ų | 68.3 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -75.1 | 2.4 | -167.4 | -161 | 0 | 0 | 0 | 0 | 115.8 | G203 T208 | G203-S205 VanDerWaalsContact C-N 3.25Å; G203-S205 PolarHBondContact O-N 2.62Å; S205-T208 PolarHBondContact O-OG1 2.64Å |
| 206 | R | 53.5 | Low | 59.3 | Low | 116 Ų | 116 | 73.8 Ų | 73.8 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -82 | -21.7 | 177.9 | -87.7 | -177 | 158.1 | -145.2 | -19.9 | 114 | E143 Y200 A204 | E143-R206 IonicContact OE1-CZ 2.7Å; E143-R206 IonicContact OE1-NH1 3.11Å; E143-R206 PolarHBondContact OE1-NH1 2.87Å; E143-R206 IonicContact OE1-NH2 2.81Å; E143-R206 PolarHBondContact OE1-NH2 3.15Å; Y200-R206 VanDerWaalsContact CZ-CZ 3.48Å; Y200-R206 PolarHBondContact OH-NH2 3.23Å; A204-R206 PolarHBondContact O-N 3.32Å; A204-R206 VanDerWaalsContact O-N 3.07Å |
| 207 | T | 49.5 | Very low | 56.5 | Low | 107 Ų | 107 | 79.8 Ų | 79.8 | 66% | 0.656 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -18.7 | -177.6 | 44.2 | 0 | 0 | 0 | 0 | 114 | A204 | A204-T207 PolarHBondContact O-OG1 3.45Š|
| 208 | T | 45.8 | Very low | 53.8 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 63% | 0.632 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.4 | -173 | 33.7 | 0 | 0 | 0 | 0 | 116.5 | S205 | S205-T208 PolarHBondContact O-OG1 2.64Š|
| 209 | K | 42.1 | Very low | 51.5 | Low | 133 Ų | 133 | 96 Ų | 96 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | trans | -98.6 | 18.9 | -171.8 | -84.2 | -171 | 177.3 | 178.9 | 0 | 117.5 | S211 | K209-S211 VanDerWaalsContact C-N 3.32Å; K209-S211 PolarHBondContact O-N 3.18Å | ||
| 210 | V | 40.4 | Very low | 49.6 | Very low | 140 Ų | 140 | 99 Ų | 99 | 85% | 0.848 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -87 | 8.2 | 179.6 | -171.6 | 0 | 0 | 0 | 0 | 114 | ||
| 211 | S | 34.2 | Very low | 48 | Very low | 93 Ų | 93 | 100.5 Ų | 100.5 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -139.9 | 125.1 | 176.6 | 21.6 | 0 | 0 | 0 | 0 | 112.9 | K209 | K209-S211 VanDerWaalsContact C-N 3.32Å; K209-S211 PolarHBondContact O-N 3.18Å |
| 212 | T | 36.7 | Very low | 46.8 | Very low | 132 Ų | 132 | 105.1 Ų | 105.1 | 81% | 0.81 | 61% | 0.608 | S | S | * | * | trans | 87.1 | 95.7 | 163.7 | 54.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 213 | S | 36 | Very low | 46.2 | Very low | 116 Ų | 116 | 105.8 Ų | 105.8 | 81% | 0.811 | 62% | 0.615 | S | S | * | * | 63.4 | 129.2 | 128.7 | 53.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 214 | H | 32 | Very low | 46.5 | Very low | 201 Ų | 201 | 110.1 Ų | 110.1 | 93% | 0.931 | 63% | 0.633 | S | S | * | * | trans | -39.4 | 130.8 | 172.1 | -64.6 | -45.2 | 0 | 0 | 0 | 117.6 | ||||
| 215 | G | 31 | Very low | 47.4 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | trans | 170.8 | 104 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 216 | S | 33.6 | Very low | 48.6 | Very low | 115 Ų | 115 | 107.7 Ų | 107.7 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | trans | 80.6 | 118.7 | 172.6 | 85.4 | 0 | 0 | 0 | 0 | 118.8 | Q218 | S216-Q218 PolarHBondContact O-N 2.62Š| ||
| 217 | L | 32.4 | Very low | 50.1 | Low | 178 Ų | 178 | 105.8 Ų | 105.8 | 93% | 0.932 | 61% | 0.605 | S | S | * | * | trans | -70.9 | 91 | 164 | -76.2 | 124.8 | 0 | 0 | 0 | 109 | ||||
| 218 | Q | 34.2 | Very low | 51.9 | Low | 168 Ų | 168 | 100.8 Ų | 100.8 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -161.5 | 108 | 161.8 | -106.5 | 159.6 | 36.8 | 0 | 0 | 109.4 | S216 | S216-Q218 PolarHBondContact O-N 2.62Š|
| 219 | H | 42.3 | Very low | 54 | Low | 173 Ų | 173 | 96 Ų | 96 | 80% | 0.801 | 55% | 0.545 | S | S | * | . | trans | 48.3 | 115.3 | 171.8 | -64.3 | -67.2 | 0 | 0 | 0 | 118.7 | A221 | H219-A221 PolarHBondContact O-N 2.64Š| ||
| 220 | P | 47.5 | Very low | 56.1 | Low | 74 Ų | 74 | 91.6 Ų | 91.6 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | trans | -61.3 | 117.7 | 167.8 | 26.5 | -29.9 | 0 | 0 | 0 | 108.3 | K222 | P220-K222 PolarHBondContact O-N 3.2Š| ||
| 221 | A | 51.7 | Low | 58.5 | Low | 70 Ų | 70 | 87.2 Ų | 87.2 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | trans | -45.3 | 101.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H219 | H219-A221 PolarHBondContact O-N 2.64Š| ||
| 222 | K | 60.3 | Low | 61.2 | Low | 115 Ų | 115 | 82.9 Ų | 82.9 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | trans | -66.2 | 145.9 | 167.1 | -66.4 | -179.9 | 177.6 | -179.2 | 0 | 106.6 | P220 | P220-K222 PolarHBondContact O-N 3.2Š| ||
| 223 | G | 71.1 | Confident | 63.7 | Low | 14 Ų | 14 | 76.8 Ų | 76.8 | 14% | 0.144 | 43% | 0.43 | C | S | . | . | trans | -61 | 152.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L225 E226 Q227 | G223-L225 VanDerWaalsContact C-N 3.31Å; G223-L225 PolarHBondContact O-N 2.8Å; G223-E226 WeakPolarHBondContact CA-OE2 3.08Å; G223-E226 PolarHBondContact O-N 2.67Å; G223-Q227 PolarHBondContact O-N 3.45Å | ||
| 224 | E | 80.6 | Confident | 66.3 | Low | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | -173.2 | -168 | -174.4 | 170.2 | 0 | 0 | 111.6 | Q227 Q228 R457 | E224-Q227 PolarHBondContact O-N 2.86Å; E224-Q228 WeakPolarHBondContact O-CB 3Å; E224-Q228 VanDerWaalsContact O-CG 3.25Å; E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.38Å; E224-Q228 PolarHBondContact OE1-NE2 2.78Å; E224-R457 IonicContact OE1-CZ 3.97Å; E224-R457 IonicContact OE1-NH1 2.79Å; E224-R457 PolarHBondContact OE1-NH1 3.45Å; E224-R457 IonicContact OE1-NH2 2.74Å; E224-R457 PolarHBondContact OE1-NH2 3.36Å; E224-R457 IonicContact OE2-CZ 3.13Å; E224-R457 IonicContact OE2-NH1 3.3Å; E224-R457 PolarHBondContact OE2-NH1 2.86Å |
| 225 | L | 83.4 | Confident | 69.2 | Low | 28 Ų | 28 | 63.4 Ų | 63.4 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 178.9 | -180 | 62.5 | 0 | 0 | 0 | 111.6 | G223 Q227 Q228 L229 I267 C268 L455 | G223-L225 VanDerWaalsContact C-N 3.31Å; G223-L225 PolarHBondContact O-N 2.8Å; L225-Q227 VanDerWaalsContact C-N 3.32Å; L225-Q227 PolarHBondContact O-N 3.4Å; L225-Q228 PolarHBondContact O-N 2.75Å; L225-L229 WeakPolarHBondContact O-CB 2.87Å; L225-L229 PolarHBondContact O-N 2.78Å; L225-I267 HydrophobicContact CD2-CG2 3.86Å; L225-C268 WeakPolarHBondContact CD2-O 3.18Å; L225-L455 HydrophobicContact CD1-CB 4.43Å; L225-L455 HydrophobicContact CD1-CD2 4.03Å; L225-L455 WeakPolarHBondContact CD1-O 3.2Å |
| 226 | E | 83.3 | Confident | 72.1 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.065 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -37 | 179.2 | -61.6 | 93.6 | 141.4 | 0 | 0 | 111.1 | A199 G203 A204 G223 L230 | A199-E226 HydrophobicContact CB-CB 4.06Å; A199-E226 HydrophobicContact CB-CG 4.4Å; G203-E226 WeakPolarHBondContact CA-OE1 3.35Å; A204-E226 PolarHBondContact N-OE1 3.25Å; G223-E226 WeakPolarHBondContact CA-OE2 3.08Å; G223-E226 PolarHBondContact O-N 2.67Å; E226-L230 WeakPolarHBondContact O-CG 3.12Å; E226-L230 PolarHBondContact O-N 2.8Å |
| 227 | Q | 83.8 | Confident | 74.9 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 172.1 | -171.2 | 175.6 | -4 | 0 | 0 | 111.1 | G223 E224 L225 L230 Q231 I346 | G223-Q227 PolarHBondContact O-N 3.45Å; E224-Q227 PolarHBondContact O-N 2.86Å; L225-Q227 VanDerWaalsContact C-N 3.32Å; L225-Q227 PolarHBondContact O-N 3.4Å; Q227-L230 PolarHBondContact O-N 3.31Å; Q227-Q231 HydrophobicContact CG-CG 4.45Å; Q227-Q231 VanDerWaalsContact O-CG 3.25Å; Q227-Q231 WeakPolarHBondContact O-CG 3.06Å; Q227-Q231 PolarHBondContact O-N 2.9Å; Q227-I346 HydrophobicContact CG-CG2 4.07Å |
| 228 | Q | 88.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 177.4 | -78.1 | 168.4 | -2.9 | 0 | 0 | 112.3 | E224 L225 L230 Q231 A232 I346 M347 N348 S454 L455 | E224-Q228 WeakPolarHBondContact O-CB 3Å; E224-Q228 VanDerWaalsContact O-CG 3.25Å; E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.38Å; E224-Q228 PolarHBondContact OE1-NE2 2.78Å; L225-Q228 PolarHBondContact O-N 2.75Å; Q228-L230 VanDerWaalsContact C-N 3.27Å; Q228-L230 PolarHBondContact O-N 3.35Å; Q228-Q231 CarbonylContact O-C 3.44Å; Q228-Q231 PolarHBondContact O-N 3.18Å; Q228-A232 PolarHBondContact O-N 3.39Å; Q228-I346 HydrophobicContact CG-CG2 4.28Å; Q228-I346 PolarHBondContact NE2-O 3.2Å; Q228-M347 VanDerWaalsContact CA-SD 3.59Å; Q228-M347 HydrophobicContact CB-CE 4.44Å; Q228-M347 HydrophobicContact CB-SD 3.52Å; Q228-M347 VanDerWaalsContact CB-SD 3.52Å; Q228-M347 HydrophobicContact CG-SD 3.84Å; Q228-N348 PolarHBondContact NE2-ND2 3.15Å; Q228-S454 PolarHBondContact OE1-O 2.77Å; Q228-L455 HydrophobicContact CB-CD2 4Å |
| 229 | L | 88.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 177.6 | -177.3 | 62.3 | 0 | 0 | 0 | 112.3 | I195 L225 I257 I259 A270 L455 | I195-L229 HydrophobicContact CG2-CD2 3.86Å; I195-L229 HydrophobicContact CG2-CG 3.74Å; L225-L229 WeakPolarHBondContact O-CB 2.87Å; L225-L229 PolarHBondContact O-N 2.78Å; L229-I257 HydrophobicContact CD1-CG2 4.4Å; L229-I259 HydrophobicContact CD2-CD1 3.89Å; L229-I259 HydrophobicContact CD2-CG1 4.17Å; L229-A270 HydrophobicContact CD1-CB 3.74Å; L229-L455 HydrophobicContact CB-CD2 4.29Å; L229-L455 HydrophobicContact CD1-CD1 4.41Å |
| 230 | L | 87.2 | Confident | 83 | Confident | 40 Ų | 40 | 31 Ų | 31 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.5 | -37.9 | 174.5 | -73.4 | 168.8 | 0 | 0 | 0 | 112.5 | I195 Q196 A199 E226 Q227 Q228 P234 | I195-L230 HydrophobicContact CG2-CD2 3.95Å; Q196-L230 HydrophobicContact CB-CD2 4.24Å; A199-L230 HydrophobicContact CB-CD1 4.4Å; E226-L230 WeakPolarHBondContact O-CG 3.12Å; E226-L230 PolarHBondContact O-N 2.8Å; Q227-L230 PolarHBondContact O-N 3.31Å; Q228-L230 VanDerWaalsContact C-N 3.27Å; Q228-L230 PolarHBondContact O-N 3.35Å; L230-P234 WeakPolarHBondContact O-CD 3.39Å |
| 231 | Q | 89.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 27.4 Ų | 27.4 | 23% | 0.229 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -79.1 | -13.9 | -178.7 | -65 | -56.3 | -39.5 | 0 | 0 | 114.2 | Q227 Q228 N233 P234 S343 I346 | Q227-Q231 HydrophobicContact CG-CG 4.45Å; Q227-Q231 VanDerWaalsContact O-CG 3.25Å; Q227-Q231 WeakPolarHBondContact O-CG 3.06Å; Q227-Q231 PolarHBondContact O-N 2.9Å; Q228-Q231 CarbonylContact O-C 3.44Å; Q228-Q231 PolarHBondContact O-N 3.18Å; Q231-N233 VanDerWaalsContact C-N 3.33Å; Q231-N233 PolarHBondContact O-N 2.91Å; Q231-P234 WeakPolarHBondContact O-CD 3.15Å; Q231-S343 PolarHBondContact OE1-OG 2.65Å; Q231-I346 HydrophobicContact CB-CG2 4.36Å; Q231-I346 HydrophobicContact CG-CB 4.31Å; Q231-I346 HydrophobicContact CG-CD1 3.88Å; Q231-I346 HydrophobicContact CG-CG2 3.97Å |
| 232 | A | 91.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q228 I235 L236 I272 I451 | Q228-A232 PolarHBondContact O-N 3.39Å; A232-I235 PolarHBondContact O-N 2.72Å; A232-L236 WeakPolarHBondContact O-CG 3.09Å; A232-L236 PolarHBondContact O-N 2.67Å; A232-L236 VanDerWaalsContact O-N 3.12Å; A232-I272 HydrophobicContact CB-CD1 4.07Å; A232-I451 HydrophobicContact CB-CG2 3.97Å |
| 233 | N | 88.8 | Confident | 88.2 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.7 | -50 | -177.2 | -80.3 | -65.7 | 0 | 0 | 0 | 113.6 | Q231 I235 L236 E237 K255 | Q231-N233 VanDerWaalsContact C-N 3.33Å; Q231-N233 PolarHBondContact O-N 2.91Å; N233-I235 PolarHBondContact O-N 3.13Å; N233-L236 PolarHBondContact O-N 2.64Å; N233-L236 VanDerWaalsContact O-N 3.13Å; N233-E237 WeakPolarHBondContact O-CB 3.38Å; N233-E237 WeakPolarHBondContact O-CG 3.18Å; N233-E237 PolarHBondContact O-N 2.65Å; N233-K255 PolarHBondContact OD1-NZ 2.88Å |
| 234 | P | 90.4 | Very high | 88.8 | Confident | 37 Ų | 37 | 19.4 Ų | 19.4 | 24% | 0.24 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -51.5 | -40.7 | 174.9 | -29.8 | 33.6 | 0 | 0 | 0 | 114 | L230 Q231 E237 A238 | L230-P234 WeakPolarHBondContact O-CD 3.39Å; Q231-P234 WeakPolarHBondContact O-CD 3.15Å; P234-E237 PolarHBondContact O-N 2.65Å; P234-A238 PolarHBondContact O-N 2.66Å |
| 235 | I | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.2 | -48.8 | 178.6 | -54.1 | 172.8 | 0 | 0 | 0 | 110.3 | A232 N233 E237 A238 F239 M344 M347 L447 I451 | A232-I235 PolarHBondContact O-N 2.72Å; N233-I235 PolarHBondContact O-N 3.13Å; I235-E237 VanDerWaalsContact C-N 3.29Å; I235-E237 PolarHBondContact O-N 3.37Å; I235-A238 PolarHBondContact O-N 3.3Å; I235-F239 WeakPolarHBondContact O-CD2 3.14Å; I235-F239 PolarHBondContact O-N 2.96Å; I235-M344 HydrophobicContact CD1-CB 4.47Å; I235-M344 HydrophobicContact CD1-CG 3.93Å; I235-M344 HydrophobicContact CG1-CG 4.08Å; I235-M344 HydrophobicContact CG2-CE 3.84Å; I235-M344 HydrophobicContact CG2-CG 4.24Å; I235-M347 HydrophobicContact CD1-CB 4.18Å; I235-M347 HydrophobicContact CD1-CG 3.6Å; I235-L447 HydrophobicContact CG2-CD1 4.02Å; I235-L447 HydrophobicContact CG2-CD2 3.95Å; I235-L447 HydrophobicContact CG2-CG 4.31Å; I235-I451 HydrophobicContact CB-CD1 4.32Å; I235-I451 HydrophobicContact CG2-CD1 4.15Å |
| 236 | L | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.9 | -34.1 | 179.2 | -66.4 | 173.6 | 0 | 0 | 0 | 112.2 | A232 N233 G240 F253 I272 F444 L447 V448 I451 | A232-L236 WeakPolarHBondContact O-CG 3.09Å; A232-L236 PolarHBondContact O-N 2.67Å; A232-L236 VanDerWaalsContact O-N 3.12Å; N233-L236 PolarHBondContact O-N 2.64Å; N233-L236 VanDerWaalsContact O-N 3.13Å; L236-G240 VanDerWaalsContact O-CA 3.31Å; L236-G240 WeakPolarHBondContact O-CA 3.11Å; L236-G240 PolarHBondContact O-N 3.01Å; L236-F253 HydrophobicContact CB-CZ 3.86Å; L236-I272 HydrophobicContact CD1-CD1 3.81Å; L236-I272 HydrophobicContact CD1-CG2 4.07Å; L236-F444 HydrophobicContact CD2-CE2 4.34Å; L236-F444 HydrophobicContact CD2-CZ 4.35Å; L236-L447 HydrophobicContact CD2-CD2 3.97Å; L236-V448 HydrophobicContact CD2-CG2 3.81Å; L236-I451 HydrophobicContact CD2-CD1 3.99Å; L236-I451 HydrophobicContact CG-CD1 4.15Å |
| 237 | E | 90.9 | Very high | 88.4 | Confident | 20 Ų | 20 | 20.3 Ų | 20.3 | 9% | 0.093 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.5 | -40.1 | 177.1 | -72.2 | 177.6 | -158 | 0 | 0 | 112 | T188 K192 N233 P234 I235 F239 N241 | T188-E237 WeakPolarHBondContact CG2-OE1 3.21Å; K192-E237 WeakPolarHBondContact CE-OE1 3.07Å; K192-E237 IonicContact NZ-OE1 3.44Å; K192-E237 PolarHBondContact NZ-OE1 2.58Å; K192-E237 IonicContact NZ-OE2 3.38Å; K192-E237 PolarHBondContact NZ-OE2 2.67Å; N233-E237 WeakPolarHBondContact O-CB 3.38Å; N233-E237 WeakPolarHBondContact O-CG 3.18Å; N233-E237 PolarHBondContact O-N 2.65Å; P234-E237 PolarHBondContact O-N 2.65Å; I235-E237 VanDerWaalsContact C-N 3.29Å; I235-E237 PolarHBondContact O-N 3.37Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.5Å; E237-N241 WeakPolarHBondContact O-CB 2.75Å; E237-N241 PolarHBondContact O-N 2.66Å |
| 238 | A | 93.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P234 I235 H293 I294 T340 | P234-A238 PolarHBondContact O-N 2.66Å; I235-A238 PolarHBondContact O-N 3.3Å; A238-H293 PolarHBondContact O-N 2.8Å; A238-I294 HydrophobicContact CB-CB 4.41Å; A238-I294 VanDerWaalsContact O-CB 3.26Å; A238-I294 WeakPolarHBondContact O-CB 3.13Å; A238-I294 WeakPolarHBondContact O-CG2 2.95Å; A238-I294 PolarHBondContact O-N 2.82Å; A238-T340 HydrophobicContact CB-CG2 3.72Å |
| 239 | F | 94.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -92.1 | -22.7 | -174.8 | -72.4 | -99.5 | 0 | 0 | 0 | 114.5 | I235 E237 F292 I294 M344 I357 V361 Y440 M443 F444 L447 | I235-F239 WeakPolarHBondContact O-CD2 3.14Å; I235-F239 PolarHBondContact O-N 2.96Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.5Å; F239-F292 WeakPolarHBondContact O-CD1 3.39Å; F239-I294 HydrophobicContact CD1-CB 4.43Å; F239-I294 HydrophobicContact CD1-CG1 4.28Å; F239-I294 HydrophobicContact CD1-CG2 4.03Å; F239-I294 HydrophobicContact CD2-CB 4.44Å; F239-I294 HydrophobicContact CD2-CG1 4.37Å; F239-I294 HydrophobicContact CE1-CB 4.49Å; F239-I294 HydrophobicContact CE1-CG1 3.85Å; F239-I294 HydrophobicContact CE1-CG2 4.36Å; F239-I294 HydrophobicContact CE2-CB 4.46Å; F239-I294 HydrophobicContact CE2-CD1 3.86Å; F239-I294 HydrophobicContact CE2-CG1 3.92Å; F239-I294 HydrophobicContact CG-CB 4.42Å; F239-I294 HydrophobicContact CG-CG2 4.29Å; F239-I294 HydrophobicContact CZ-CD1 3.87Å; F239-I294 HydrophobicContact CZ-CG1 3.66Å; F239-M344 HydrophobicContact CD2-CE 4.35Å; F239-M344 HydrophobicContact CE2-CE 3.33Å; F239-M344 HydrophobicContact CZ-CE 3.75Å; F239-I357 HydrophobicContact CE1-CG2 3.58Å; F239-I357 HydrophobicContact CZ-CG2 3.56Å; F239-V361 HydrophobicContact CE1-CG2 3.88Å; F239-Y440 WeakPolarHBondContact CA-OH 3.28Å; F239-Y440 PolarHBondContact O-OH 2.65Å; F239-M443 HydrophobicContact CD1-CE 3.62Å; F239-M443 HydrophobicContact CE1-CE 3.69Å; F239-M443 HydrophobicContact CE1-SD 4.32Å; F239-F444 HydrophobicContact CB-CD2 3.85Å; F239-F444 HydrophobicContact CB-CE2 4.05Å; F239-L447 HydrophobicContact CD1-CD1 4.26Å; F239-L447 HydrophobicContact CD2-CD1 3.88Å; F239-L447 HydrophobicContact CE1-CD1 4.32Å; F239-L447 HydrophobicContact CE2-CD1 3.99Å; F239-L447 HydrophobicContact CG-CD1 4.03Å; F239-L447 HydrophobicContact CZ-CD1 4.19Å |
| 240 | G | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -111.2 | -13.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L236 R252 F253 | L236-G240 VanDerWaalsContact O-CA 3.31Å; L236-G240 WeakPolarHBondContact O-CA 3.11Å; L236-G240 PolarHBondContact O-N 3.01Å; G240-R252 WeakPolarHBondContact O-CB 3.41Å; G240-R252 PolarHBondContact O-N 2.94Å; G240-F253 VanDerWaalsContact CA-CD1 3.49Å; G240-F253 WeakPolarHBondContact O-CD1 3.25Å |
| 241 | N | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 151.1 | -179.3 | -62.5 | 22.5 | 0 | 0 | 0 | 112.4 | E237 N249 S250 S251 F292 H293 | E237-N241 WeakPolarHBondContact O-CB 2.75Å; E237-N241 PolarHBondContact O-N 2.66Å; N241-N249 WeakPolarHBondContact CB-OD1 3.26Å; N241-N249 PolarHBondContact ND2-OD1 2.72Å; N241-S250 CarbonylContact C-O 3.59Å; N241-S250 WeakPolarHBondContact CA-O 2.83Å; N241-S250 WeakPolarHBondContact CB-O 3.1Å; N241-S251 PolarHBondContact ND2-OG 3.27Å; N241-S251 WeakPolarHBondContact OD1-CA 3.07Å; N241-S251 PolarHBondContact OD1-OG 3.26Å; N241-F292 VanDerWaalsContact O-CA 3.31Å; N241-F292 WeakPolarHBondContact O-CA 3.09Å; N241-H293 PolarHBondContact O-CD2 2.73Å; N241-H293 VanDerWaalsContact O-CD2 3.31Å; N241-H293 PolarHBondContact O-N 3.47Å |
| 242 | A | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 163.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S250 R252 R281 F292 | A242-S250 PolarHBondContact N-O 2.56Å; A242-S250 WeakPolarHBondContact O-CA 3.38Å; A242-S250 WeakPolarHBondContact O-CB 3.49Å; A242-S250 PolarHBondContact O-N 2.7Å; A242-R252 HydrophobicContact CB-CG 3.97Å; A242-R281 HydrophobicContact CB-CG 4.38Å; A242-F292 HydrophobicContact CB-CD1 4.49Å |
| 243 | K | 88.2 | Confident | 87.4 | Confident | 31 Ų | 31 | 17.2 Ų | 17.2 | 14% | 0.135 | 9% | 0.094 | C | C | . | . | trans | -82.8 | 135.8 | 172.5 | 170.5 | 175.2 | 179.2 | 170.7 | 0 | 110.9 | D248 E289 R290 I326 L328 | K243-D248 WeakPolarHBondContact CA-O 3.4Å; K243-D248 WeakPolarHBondContact CB-O 3.22Å; K243-D248 WeakPolarHBondContact CE-OD1 3.2Å; K243-D248 IonicContact NZ-OD1 3.8Å; K243-E289 WeakPolarHBondContact O-CB 2.81Å; K243-R290 HydrophobicContact CB-CB 3.56Å; K243-R290 HydrophobicContact CG-CB 4.46Å; K243-R290 PolarHBondContact O-N 2.62Å; K243-R290 VanDerWaalsContact O-N 3.09Å; K243-I326 HydrophobicContact CD-CG2 3.97Å; K243-L328 HydrophobicContact CB-CD2 3.99Å; K243-L328 HydrophobicContact CD-CD2 3.77Å; K243-L328 HydrophobicContact CG-CD2 4.37Å | ||
| 244 | T | 82.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -117.4 | 169.2 | 171.7 | 83.1 | 0 | 0 | 0 | 0 | 109.1 | K246 N247 S250 E289 | T244-K246 PolarHBondContact O-N 2.82Å; T244-K246 PolarHBondContact OG1-N 2.93Å; T244-N247 PolarHBondContact N-O 3.27Å; T244-N247 PolarHBondContact O-N 2.79Å; T244-N247 PolarHBondContact OG1-N 2.85Å; T244-N247 PolarHBondContact OG1-O 2.88Å; T244-S250 VanDerWaalsContact CG2-CB 3.4Å; T244-E289 VanDerWaalsContact CA-OE1 3.23Å; T244-E289 WeakPolarHBondContact CA-OE1 3.36Å; T244-E289 VanDerWaalsContact CB-OE1 3.31Å; T244-E289 WeakPolarHBondContact CB-OE1 3.24Å | ||
| 245 | V | 81.9 | Confident | 87 | Confident | 87 Ų | 87 | 15.5 Ų | 15.5 | 53% | 0.527 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -56 | -41 | 174.2 | -176 | 0 | 0 | 0 | 0 | 110.8 | E289 K688 | V245-E289 HydrophobicContact CG2-CG 4.05Å; V245-E289 PolarHBondContact N-OE1 3.29Å; V245-K688 PolarHBondContact O-NZ 3.4Å |
| 246 | K | 77.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 15.6 Ų | 15.6 | 17% | 0.17 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -86.6 | -27.3 | -176.3 | -62 | -168.7 | -176.5 | -172.5 | 0 | 114.3 | T244 I476 F477 Y686 K688 | T244-K246 PolarHBondContact O-N 2.82Å; T244-K246 PolarHBondContact OG1-N 2.93Å; K246-I476 WeakPolarHBondContact CE-O 3.18Å; K246-I476 PolarHBondContact NZ-O 2.86Å; K246-F477 HydrophobicContact CG-CE1 4.44Å; K246-Y686 HydrophobicContact CD-CE1 4.21Å; K246-K688 VanDerWaalsContact C-CE 3.48Å; K246-K688 WeakPolarHBondContact O-CE 3.1Å |
| 247 | N | 80.1 | Confident | 86.9 | Confident | 35 Ų | 35 | 15.7 Ų | 15.7 | 19% | 0.187 | 8% | 0.084 | C | C | . | . | trans | -141.7 | 127.3 | -172.6 | -178.1 | 13.3 | 0 | 0 | 0 | 111.9 | G184 T244 N249 S250 | G184-N247 PolarHBondContact N-ND2 2.81Å; T244-N247 PolarHBondContact N-O 3.27Å; T244-N247 PolarHBondContact O-N 2.79Å; T244-N247 PolarHBondContact OG1-N 2.85Å; T244-N247 PolarHBondContact OG1-O 2.88Å; N247-N249 PolarHBondContact ND2-O 3.32Å; N247-N249 VanDerWaalsContact ND2-O 3.11Å; N247-N249 PolarHBondContact OD1-N 3.49Å; N247-S250 WeakPolarHBondContact ND2-CA 3.22Å; N247-S250 WeakPolarHBondContact ND2-CB 2.86Å; N247-S250 PolarHBondContact ND2-N 2.52Å | ||
| 248 | D | 83.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 18.5 Ų | 18.5 | 20% | 0.198 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -75.6 | -24.8 | -177 | -64.6 | -37.2 | 0 | 0 | 0 | 113.9 | K243 H293 L328 K688 | K243-D248 WeakPolarHBondContact CA-O 3.4Å; K243-D248 WeakPolarHBondContact CB-O 3.22Å; K243-D248 WeakPolarHBondContact CE-OD1 3.2Å; K243-D248 IonicContact NZ-OD1 3.8Å; D248-H293 PolarHBondContact O-CE1 2.81Å; D248-H293 VanDerWaalsContact O-CE1 3.31Å; D248-L328 HydrophobicContact CB-CD2 4.19Å; D248-L328 WeakPolarHBondContact O-CD2 3.14Å; D248-K688 VanDerWaalsContact CG-NZ 3.33Å; D248-K688 IonicContact OD1-NZ 3.6Å; D248-K688 PolarHBondContact OD1-NZ 2.84Å; D248-K688 WeakPolarHBondContact OD2-CD 3.46Å; D248-K688 IonicContact OD2-NZ 2.75Å; D248-K688 PolarHBondContact OD2-NZ 2.87Å |
| 249 | N | 85.3 | Confident | 86.9 | Confident | 58 Ų | 58 | 18.4 Ų | 18.4 | 31% | 0.31 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -131.9 | 75.8 | 176.4 | -176.7 | 16.6 | 0 | 0 | 0 | 109.1 | N241 N247 H293 | N241-N249 WeakPolarHBondContact CB-OD1 3.26Å; N241-N249 PolarHBondContact ND2-OD1 2.72Å; N247-N249 PolarHBondContact ND2-O 3.32Å; N247-N249 VanDerWaalsContact ND2-O 3.11Å; N247-N249 PolarHBondContact OD1-N 3.49Å; N249-H293 PolarHBondContact OD1-CD2 2.81Å; N249-H293 PolarHBondContact OD1-NE2 2.64Å; N249-H293 VanDerWaalsContact OD1-NE2 3.16Å |
| 250 | S | 83.1 | Confident | 86.7 | Confident | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.4 | -177.1 | -160 | 0 | 0 | 0 | 0 | 111.5 | S183 N241 A242 T244 N247 R252 | S183-S250 PolarHBondContact OG-OG 2.64Å; N241-S250 CarbonylContact C-O 3.59Å; N241-S250 WeakPolarHBondContact CA-O 2.83Å; N241-S250 WeakPolarHBondContact CB-O 3.1Å; A242-S250 PolarHBondContact N-O 2.56Å; A242-S250 WeakPolarHBondContact O-CA 3.38Å; A242-S250 WeakPolarHBondContact O-CB 3.49Å; A242-S250 PolarHBondContact O-N 2.7Å; T244-S250 VanDerWaalsContact CG2-CB 3.4Å; N247-S250 WeakPolarHBondContact ND2-CA 3.22Å; N247-S250 WeakPolarHBondContact ND2-CB 2.86Å; N247-S250 PolarHBondContact ND2-N 2.52Å; S250-R252 WeakPolarHBondContact O-CG 3.29Å; S250-R252 PolarHBondContact O-N 2.67Å; S250-R252 VanDerWaalsContact O-N 3.14Å |
| 251 | S | 85.4 | Confident | 86.6 | Confident | 6 Ų | 6 | 19 Ų | 19 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 112.1 | 169.2 | -54.1 | 0 | 0 | 0 | 0 | 109.5 | T188 N241 F253 | T188-S251 PolarHBondContact OG1-OG 2.71Å; T188-S251 VanDerWaalsContact OG1-OG 3.11Å; N241-S251 PolarHBondContact ND2-OG 3.27Å; N241-S251 WeakPolarHBondContact OD1-CA 3.07Å; N241-S251 PolarHBondContact OD1-OG 3.26Å; S251-F253 VanDerWaalsContact C-N 3.28Å |
| 252 | R | 86.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | trans | -98.7 | 25.8 | 178.7 | -61.7 | -52.5 | -149.1 | 155.2 | -11.1 | 112.3 | G240 A242 S250 E278 R281 E289 F292 E475 | G240-R252 WeakPolarHBondContact O-CB 3.41Å; G240-R252 PolarHBondContact O-N 2.94Å; A242-R252 HydrophobicContact CB-CG 3.97Å; S250-R252 WeakPolarHBondContact O-CG 3.29Å; S250-R252 PolarHBondContact O-N 2.67Å; S250-R252 VanDerWaalsContact O-N 3.14Å; R252-E278 HydrophobicContact CB-CB 4.04Å; R252-E278 WeakPolarHBondContact CD-OE2 3.02Å; R252-E278 IonicContact CZ-OE2 3.44Å; R252-E278 IonicContact NE-OE2 3.65Å; R252-E278 PolarHBondContact NE-OE2 3.3Å; R252-E278 IonicContact NH1-OE1 3.85Å; R252-E278 IonicContact NH1-OE2 2.78Å; R252-E278 PolarHBondContact NH1-OE2 3.44Å; R252-E278 PolarHBondContact O-N 3.46Å; R252-R281 VanDerWaalsContact NE-NE 3.14Å; R252-R281 VanDerWaalsContact NH2-CZ 3.27Å; R252-E289 IonicContact NH2-OE1 2.84Å; R252-F292 HydrophobicContact CB-CE1 4.05Å; R252-E475 IonicContact CZ-OE1 2.74Å; R252-E475 IonicContact CZ-OE2 3.42Å; R252-E475 IonicContact NH1-OE1 2.93Å; R252-E475 PolarHBondContact NH1-OE1 3.39Å; R252-E475 IonicContact NH1-OE2 3.78Å; R252-E475 PolarHBondContact NH1-OE2 2.71Å; R252-E475 IonicContact NH2-OE1 3.72Å; R252-E475 PolarHBondContact NH2-OE1 3.31Å; R252-E475 IonicContact NH2-OE2 3.83Å; R252-E475 PolarHBondContact NH2-OE2 2.67Å | ||
| 253 | F | 85.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -150.2 | 151 | 171.5 | 71.8 | -68.9 | 0 | 0 | 0 | 108 | L236 G240 S251 K255 L276 L277 F444 | L236-F253 HydrophobicContact CB-CZ 3.86Å; G240-F253 VanDerWaalsContact CA-CD1 3.49Å; G240-F253 WeakPolarHBondContact O-CD1 3.25Å; S251-F253 VanDerWaalsContact C-N 3.28Å; F253-K255 HydrophobicContact CD2-CB 4.36Å; F253-K255 HydrophobicContact CE2-CB 3.78Å; F253-K255 HydrophobicContact CE2-CD 4.23Å; F253-K255 HydrophobicContact CE2-CG 4.39Å; F253-K255 HydrophobicContact CZ-CB 4.48Å; F253-K255 HydrophobicContact CZ-CD 4.11Å; F253-L276 WeakPolarHBondContact CA-O 3.15Å; F253-L277 HydrophobicContact CB-CD1 4.12Å; F253-F444 HydrophobicContact CD1-CZ 4.17Å; F253-F444 AromaticContact CD2-CE1 3.99Å; F253-F444 HydrophobicContact CD2-CE1 3.99Å; F253-F444 AromaticContact CD2-CZ 3.66Å; F253-F444 HydrophobicContact CD2-CZ 3.66Å; F253-F444 HydrophobicContact CE1-CZ 4.32Å; F253-F444 HydrophobicContact CE2-CE1 4.48Å; F253-F444 AromaticContact CE2-CZ 3.78Å; F253-F444 HydrophobicContact CE2-CZ 3.78Å; F253-F444 HydrophobicContact CG-CE1 4.22Å; F253-F444 AromaticContact CG-CZ 3.87Å; F253-F444 HydrophobicContact CG-CZ 3.87Å; F253-F444 HydrophobicContact CZ-CZ 4.15Å |
| 254 | G | 82.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | S274 Y275 | G254-S274 CarbonylContact O-C 3.58Å; G254-S274 WeakPolarHBondContact O-CA 3.17Å; G254-Y275 PolarHBondContact N-O 3.42Å; G254-Y275 PolarHBondContact O-N 2.92Å |
| 255 | K | 87.9 | Confident | 86 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.6 | 173 | 60.1 | -174 | 175.1 | -179.3 | 0 | 110.5 | N233 F253 I257 I272 E273 D470 | N233-K255 PolarHBondContact OD1-NZ 2.88Å; F253-K255 HydrophobicContact CD2-CB 4.36Å; F253-K255 HydrophobicContact CE2-CB 3.78Å; F253-K255 HydrophobicContact CE2-CD 4.23Å; F253-K255 HydrophobicContact CE2-CG 4.39Å; F253-K255 HydrophobicContact CZ-CB 4.48Å; F253-K255 HydrophobicContact CZ-CD 4.11Å; K255-I257 HydrophobicContact CD-CD1 4.35Å; K255-I272 HydrophobicContact CB-CG2 4.4Å; K255-E273 WeakPolarHBondContact CA-O 3.43Å; K255-D470 HydrophobicContact CD-CB 4.43Å; K255-D470 WeakPolarHBondContact CE-OD2 2.97Å; K255-D470 HydrophobicContact CG-CB 3.81Å; K255-D470 PolarHBondContact N-O 2.63Å; K255-D470 IonicContact NZ-OD2 3.17Å; K255-D470 PolarHBondContact O-N 3.23Å |
| 256 | F | 90.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 112 | 170.3 | -177.9 | -113 | 0 | 0 | 0 | 108.2 | I272 E273 Y275 F465 I468 L469 L667 T670 L671 | F256-I272 WeakPolarHBondContact O-CA 3.45Å; F256-E273 HydrophobicContact CB-CB 4.37Å; F256-E273 PolarHBondContact N-O 2.93Å; F256-E273 PolarHBondContact O-N 3.35Å; F256-Y275 HydrophobicContact CB-CD2 4.49Å; F256-Y275 HydrophobicContact CB-CE2 3.89Å; F256-F465 HydrophobicContact CZ-CE2 4.37Å; F256-I468 WeakPolarHBondContact CA-O 3.13Å; F256-L469 HydrophobicContact CB-CD1 4.21Å; F256-L469 HydrophobicContact CD2-CB 4.12Å; F256-L469 HydrophobicContact CD2-CD1 4.11Å; F256-L667 HydrophobicContact CB-CD1 4.06Å; F256-L667 HydrophobicContact CD1-CD1 4.32Å; F256-L667 HydrophobicContact CD2-CD1 4.01Å; F256-L667 HydrophobicContact CG-CD1 3.88Å; F256-T670 HydrophobicContact CE1-CG2 3.98Å; F256-T670 HydrophobicContact CZ-CG2 4.04Å; F256-L671 HydrophobicContact CE2-CD2 3.88Å |
| 257 | I | 92.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 107.8 | -175 | -56.2 | 171.8 | 0 | 0 | 0 | 107.8 | T191 I195 L229 K255 I259 I272 I468 | T191-I257 HydrophobicContact CG2-CD1 4.24Å; I195-I257 HydrophobicContact CD1-CD1 3.65Å; L229-I257 HydrophobicContact CD1-CG2 4.4Å; K255-I257 HydrophobicContact CD-CD1 4.35Å; I257-I259 HydrophobicContact CG2-CG1 4.19Å; I257-I272 HydrophobicContact CG1-CG1 4.27Å; I257-I272 HydrophobicContact CG1-CG2 4.34Å; I257-I272 HydrophobicContact CG2-CG1 4.38Å; I257-I468 HydrophobicContact CB-CB 4.42Å; I257-I468 PolarHBondContact N-O 3.39Å; I257-I468 PolarHBondContact O-N 2.74Å |
| 258 | R | 91.9 | Very high | 86.9 | Confident | 79 Ų | 79 | 27 Ų | 27 | 30% | 0.298 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 113.1 | 175.3 | 175 | 170.9 | 176.6 | 167.5 | 7.6 | 109.5 | N260 A270 N271 F465 | R258-N260 WeakPolarHBondContact CG-OD1 3.49Å; R258-N260 PolarHBondContact NE-OD1 3.48Å; R258-A270 CarbonylContact O-C 3.23Å; R258-A270 WeakPolarHBondContact O-CA 3.47Å; R258-N271 HydrophobicContact CB-CB 4.43Å; R258-N271 PolarHBondContact N-O 3.46Å; R258-N271 PolarHBondContact O-N 3.48Å; R258-F465 HydrophobicContact CB-CD2 4.45Å; R258-F465 HydrophobicContact CG-CB 3.82Å; R258-F465 HydrophobicContact CG-CD2 3.59Å; R258-F465 HydrophobicContact CG-CE2 4.28Å; R258-F465 HydrophobicContact CG-CG 3.76Å |
| 259 | I | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.5 | 173.7 | -58.8 | 173.7 | 0 | 0 | 0 | 107.7 | I195 L198 L229 I257 F261 I267 F465 I466 I468 | I195-I259 HydrophobicContact CG1-CD1 4.43Å; L198-I259 HydrophobicContact CD1-CD1 3.76Å; L229-I259 HydrophobicContact CD2-CD1 3.89Å; L229-I259 HydrophobicContact CD2-CG1 4.17Å; I257-I259 HydrophobicContact CG2-CG1 4.19Å; I259-F261 HydrophobicContact CB-CE2 4.11Å; I259-F261 HydrophobicContact CB-CZ 4.34Å; I259-F261 HydrophobicContact CG2-CE1 4.32Å; I259-F261 HydrophobicContact CG2-CE2 3.79Å; I259-F261 HydrophobicContact CG2-CZ 3.67Å; I259-F261 WeakPolarHBondContact O-CD2 3.43Å; I259-F261 VanDerWaalsContact O-CE2 3.27Å; I259-F261 WeakPolarHBondContact O-CE2 3.33Å; I259-I267 HydrophobicContact CG2-CB 4.46Å; I259-I267 HydrophobicContact CG2-CD1 4.19Å; I259-I267 HydrophobicContact CG2-CG1 3.95Å; I259-I267 HydrophobicContact CG2-CG2 3.79Å; I259-F465 CarbonylContact O-C 3.6Å; I259-F465 VanDerWaalsContact O-CA 3.23Å; I259-F465 WeakPolarHBondContact O-CA 3.39Å; I259-F465 WeakPolarHBondContact O-CB 3.14Å; I259-I466 PolarHBondContact N-O 3.15Å; I259-I466 PolarHBondContact O-N 2.6Å; I259-I468 HydrophobicContact CD1-CD1 3.81Å |
| 260 | N | 91.2 | Very high | 87.4 | Confident | 14 Ų | 14 | 22.8 Ų | 22.8 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.7 | -177.4 | -63.6 | -43.7 | 0 | 0 | 0 | 110.8 | R258 I267 C268 S269 F465 | R258-N260 WeakPolarHBondContact CG-OD1 3.49Å; R258-N260 PolarHBondContact NE-OD1 3.48Å; N260-I267 WeakPolarHBondContact O-CA 3.47Å; N260-C268 PolarHBondContact O-N 3.18Å; N260-C268 PolarHBondContact O-SG 3.27Å; N260-C268 VanDerWaalsContact O-SG 3.37Å; N260-S269 WeakPolarHBondContact CB-O 3.46Å; N260-S269 PolarHBondContact N-O 3.49Å; N260-S269 PolarHBondContact ND2-OG 3.12Å; N260-F465 WeakPolarHBondContact OD1-CB 3.25Å |
| 261 | F | 89.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.6 | -179.4 | -60.6 | -92.6 | 0 | 0 | 0 | 111.2 | Y165 M168 L198 A202 I259 G265 F266 I267 S463 S464 I466 | Y165-F261 HydrophobicContact CD2-CE1 4.02Å; Y165-F261 HydrophobicContact CD2-CZ 4.33Å; Y165-F261 HydrophobicContact CE2-CD1 4.02Å; Y165-F261 AromaticContact CE2-CE1 3.79Å; Y165-F261 HydrophobicContact CE2-CE1 3.79Å; M168-F261 HydrophobicContact CE-CB 3.71Å; M168-F261 HydrophobicContact CE-CD1 3.97Å; M168-F261 HydrophobicContact CE-CD2 3.55Å; M168-F261 HydrophobicContact CE-CE1 4.47Å; M168-F261 HydrophobicContact CE-CE2 4.13Å; M168-F261 HydrophobicContact CE-CG 3.46Å; M168-F261 VanDerWaalsContact CE-CG 3.46Å; M168-F261 HydrophobicContact SD-CB 4.19Å; M168-F261 HydrophobicContact SD-CD2 3.34Å; M168-F261 WeakPolarHBondContact SD-CD2 3.5Å; M168-F261 HydrophobicContact SD-CE2 3.87Å; M168-F261 HydrophobicContact SD-CG 3.89Å; L198-F261 HydrophobicContact CD1-CZ 4.46Å; L198-F261 HydrophobicContact CD2-CZ 4.23Å; A202-F261 HydrophobicContact CB-CD1 4.34Å; A202-F261 HydrophobicContact CB-CE1 3.78Å; I259-F261 HydrophobicContact CB-CE2 4.11Å; I259-F261 HydrophobicContact CB-CZ 4.34Å; I259-F261 HydrophobicContact CG2-CE1 4.32Å; I259-F261 HydrophobicContact CG2-CE2 3.79Å; I259-F261 HydrophobicContact CG2-CZ 3.67Å; I259-F261 WeakPolarHBondContact O-CD2 3.43Å; I259-F261 VanDerWaalsContact O-CE2 3.27Å; I259-F261 WeakPolarHBondContact O-CE2 3.33Å; F261-G265 WeakPolarHBondContact CD1-O 3.31Å; F261-F266 VanDerWaalsContact CA-O 3.29Å; F261-F266 WeakPolarHBondContact CA-O 3.31Å; F261-I267 HydrophobicContact CD1-CG1 4.11Å; F261-I267 HydrophobicContact CE1-CG1 3.63Å; F261-I267 HydrophobicContact CZ-CG1 4.3Å; F261-S463 PolarHBondContact O-N 2.65Å; F261-S463 VanDerWaalsContact O-N 3.12Å; F261-S463 PolarHBondContact O-OG 2.64Å; F261-S464 PolarHBondContact N-O 2.63Å; F261-I466 HydrophobicContact CD2-CG1 4.3Å; F261-I466 HydrophobicContact CE2-CB 3.92Å; F261-I466 HydrophobicContact CE2-CD1 3.68Å; F261-I466 HydrophobicContact CE2-CG1 3.55Å; F261-I466 HydrophobicContact CZ-CD1 3.86Å; F261-I466 HydrophobicContact CZ-CG1 4.24Å |
| 262 | D | 85.6 | Confident | 88.1 | Confident | 26 Ų | 26 | 25 Ų | 25 | 14% | 0.139 | 13% | 0.129 | C | C | . | . | trans | -80.6 | 173.2 | 168 | 71.5 | 18.5 | 0 | 0 | 0 | 111.8 | S264 G265 F266 | D262-S264 PolarHBondContact O-N 3.27Å; D262-S264 VanDerWaalsContact O-N 3.11Å; D262-S264 WeakPolarHBondContact OD1-CA 3.38Å; D262-S264 WeakPolarHBondContact OD1-CB 3.17Å; D262-S264 PolarHBondContact OD1-N 2.96Å; D262-S264 PolarHBondContact OD1-OG 2.8Å; D262-S264 PolarHBondContact OD2-OG 2.63Å; D262-G265 PolarHBondContact O-N 3.19Å; D262-G265 PolarHBondContact OD1-N 3.01Å; D262-F266 PolarHBondContact N-O 2.89Å; D262-F266 PolarHBondContact OD1-N 2.6Å | ||
| 263 | M | 83 | Confident | 88.1 | Confident | 163 Ų | 163 | 28 Ų | 28 | 80% | 0.803 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.9 | 179.9 | -66.1 | -178.5 | 70.2 | 0 | 0 | 113.8 | S463 | M263-S463 PolarHBondContact N-OG 3.18Š|
| 264 | S | 84.2 | Confident | 88.2 | Confident | 77 Ų | 77 | 29.5 Ų | 29.5 | 54% | 0.538 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.1 | 174.9 | 46.1 | 0 | 0 | 0 | 0 | 113.7 | D262 F266 | D262-S264 PolarHBondContact O-N 3.27Å; D262-S264 VanDerWaalsContact O-N 3.11Å; D262-S264 WeakPolarHBondContact OD1-CA 3.38Å; D262-S264 WeakPolarHBondContact OD1-CB 3.17Å; D262-S264 PolarHBondContact OD1-N 2.96Å; D262-S264 PolarHBondContact OD1-OG 2.8Å; D262-S264 PolarHBondContact OD2-OG 2.63Å; S264-F266 VanDerWaalsContact OG-CD2 3.27Å; S264-F266 WeakPolarHBondContact OG-CD2 3.33Å |
| 265 | G | 85.4 | Confident | 88 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 89.6 | 10.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y165 A202 F261 D262 | Y165-G265 WeakPolarHBondContact CE2-O 3.42Å; Y165-G265 PolarHBondContact OH-O 3.46Å; A202-G265 WeakPolarHBondContact CB-O 3.34Å; F261-G265 WeakPolarHBondContact CD1-O 3.31Å; D262-G265 PolarHBondContact O-N 3.19Å; D262-G265 PolarHBondContact OD1-N 3.01Å |
| 266 | F | 86.5 | Confident | 87.3 | Confident | 69 Ų | 69 | 32.2 Ų | 32.2 | 30% | 0.303 | 17% | 0.166 | S | C | . | . | trans | -87.3 | 148.2 | 175.8 | -61.8 | -68 | 0 | 0 | 0 | 111.9 | A202 A204 F261 D262 S264 C268 | A202-F266 WeakPolarHBondContact O-CA 3.18Å; A204-F266 HydrophobicContact CB-CD1 4.3Å; A204-F266 HydrophobicContact CB-CG 4.45Å; F261-F266 VanDerWaalsContact CA-O 3.29Å; F261-F266 WeakPolarHBondContact CA-O 3.31Å; D262-F266 PolarHBondContact N-O 2.89Å; D262-F266 PolarHBondContact OD1-N 2.6Å; S264-F266 VanDerWaalsContact OG-CD2 3.27Å; S264-F266 WeakPolarHBondContact OG-CD2 3.33Å; F266-C268 PolarHBondContact O-N 2.84Å | ||
| 267 | I | 87.9 | Confident | 86.9 | Confident | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.077 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 119.9 | 176.1 | -58.1 | 171.5 | 0 | 0 | 0 | 109.2 | L198 A202 L225 I259 N260 F261 | L198-I267 HydrophobicContact CB-CD1 4.48Å; A202-I267 HydrophobicContact CB-CD1 4.2Å; A202-I267 HydrophobicContact CB-CG1 3.87Å; A202-I267 PolarHBondContact O-N 3.45Å; L225-I267 HydrophobicContact CD2-CG2 3.86Å; I259-I267 HydrophobicContact CG2-CB 4.46Å; I259-I267 HydrophobicContact CG2-CD1 4.19Å; I259-I267 HydrophobicContact CG2-CG1 3.95Å; I259-I267 HydrophobicContact CG2-CG2 3.79Å; N260-I267 WeakPolarHBondContact O-CA 3.47Å; F261-I267 HydrophobicContact CD1-CG1 4.11Å; F261-I267 HydrophobicContact CE1-CG1 3.63Å; F261-I267 HydrophobicContact CZ-CG1 4.3Å |
| 268 | C | 84.5 | Confident | 86.4 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -37.6 | 179.9 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | L225 N260 F266 T458 | L225-C268 WeakPolarHBondContact CD2-O 3.18Å; N260-C268 PolarHBondContact O-N 3.18Å; N260-C268 PolarHBondContact O-SG 3.27Å; N260-C268 VanDerWaalsContact O-SG 3.37Å; F266-C268 PolarHBondContact O-N 2.84Å; C268-T458 PolarHBondContact O-OG1 2.74Å |
| 269 | S | 88.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 169 | 175.5 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | N260 L455 D456 | N260-S269 WeakPolarHBondContact CB-O 3.46Å; N260-S269 PolarHBondContact N-O 3.49Å; N260-S269 PolarHBondContact ND2-OG 3.12Å; S269-L455 WeakPolarHBondContact CA-O 3.06Å; S269-D456 WeakPolarHBondContact CB-OD1 3.49Å |
| 270 | A | 90.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L229 R258 L455 | L229-A270 HydrophobicContact CD1-CB 3.74Å; R258-A270 CarbonylContact O-C 3.23Å; R258-A270 WeakPolarHBondContact O-CA 3.47Å; A270-L455 HydrophobicContact CB-CB 4.26Å; A270-L455 HydrophobicContact CB-CD1 4.14Å; A270-L455 WeakPolarHBondContact O-CB 3.12Å |
| 271 | N | 90.8 | Very high | 85.1 | Confident | 51 Ų | 51 | 32.1 Ų | 32.1 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.9 | 178.3 | -175 | 24.1 | 0 | 0 | 0 | 110.1 | R258 N452 | R258-N271 HydrophobicContact CB-CB 4.43Å; R258-N271 PolarHBondContact N-O 3.46Å; R258-N271 PolarHBondContact O-N 3.48Å; N271-N452 PolarHBondContact OD1-ND2 2.71Å; N271-N452 PolarHBondContact OD1-OD1 2.89Å |
| 272 | I | 91.7 | Very high | 85 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.3 | 178.4 | -53.7 | -178.8 | 0 | 0 | 0 | 108.4 | A232 L236 K255 F256 I257 V448 I451 N452 L455 | A232-I272 HydrophobicContact CB-CD1 4.07Å; L236-I272 HydrophobicContact CD1-CD1 3.81Å; L236-I272 HydrophobicContact CD1-CG2 4.07Å; K255-I272 HydrophobicContact CB-CG2 4.4Å; F256-I272 WeakPolarHBondContact O-CA 3.45Å; I257-I272 HydrophobicContact CG1-CG1 4.27Å; I257-I272 HydrophobicContact CG1-CG2 4.34Å; I257-I272 HydrophobicContact CG2-CG1 4.38Å; I272-V448 VanDerWaalsContact O-CG1 3.29Å; I272-V448 WeakPolarHBondContact O-CG1 3.25Å; I272-I451 HydrophobicContact CD1-CG2 4Å; I272-N452 PolarHBondContact N-OD1 3.46Å; I272-N452 PolarHBondContact O-ND2 2.83Å; I272-L455 HydrophobicContact CD1-CD1 4.19Å; I272-L455 HydrophobicContact CG1-CD1 4.31Å |
| 273 | E | 87.8 | Confident | 85.1 | Confident | 65 Ų | 65 | 31.3 Ų | 31.3 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.5 | 171.9 | -65 | -178.5 | 173.1 | 0 | 0 | 109.6 | K255 F256 Y275 | K255-E273 WeakPolarHBondContact CA-O 3.43Å; F256-E273 HydrophobicContact CB-CB 4.37Å; F256-E273 PolarHBondContact N-O 2.93Å; F256-E273 PolarHBondContact O-N 3.35Å; E273-Y275 HydrophobicContact CB-CD2 4.49Å; E273-Y275 HydrophobicContact CB-CE2 3.63Å; E273-Y275 PolarHBondContact OE2-OH 3.47Å |
| 274 | S | 86.5 | Confident | 85 | Confident | 34 Ų | 34 | 29.2 Ų | 29.2 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.9 | 177.4 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | G254 | G254-S274 CarbonylContact O-C 3.58Å; G254-S274 WeakPolarHBondContact O-CA 3.17Å |
| 275 | Y | 78.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 26.5 Ų | 26.5 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.4 | -176.6 | -65.4 | -85.7 | 0 | 0 | 0 | 109.6 | G254 F256 E273 Q663 L667 | G254-Y275 PolarHBondContact N-O 3.42Å; G254-Y275 PolarHBondContact O-N 2.92Å; F256-Y275 HydrophobicContact CB-CD2 4.49Å; F256-Y275 HydrophobicContact CB-CE2 3.89Å; E273-Y275 HydrophobicContact CB-CD2 4.49Å; E273-Y275 HydrophobicContact CB-CE2 3.63Å; E273-Y275 PolarHBondContact OE2-OH 3.47Å; Y275-Q663 HydrophobicContact CD1-CB 3.91Å; Y275-Q663 HydrophobicContact CE1-CB 4.04Å; Y275-Q663 WeakPolarHBondContact CE1-O 3.24Å; Y275-L667 HydrophobicContact CD2-CD2 4.39Å; Y275-L667 HydrophobicContact CE1-CB 4.01Å; Y275-L667 HydrophobicContact CE2-CD1 4.07Å; Y275-L667 HydrophobicContact CE2-CD2 4.33Å |
| 276 | L | 72.5 | Confident | 84.9 | Confident | 40 Ų | 40 | 29.2 Ų | 29.2 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | trans | 44.8 | 74.9 | 172.1 | -170.1 | 79.4 | 0 | 0 | 0 | 115.1 | F253 E278 C486 I487 Y660 | F253-L276 WeakPolarHBondContact CA-O 3.15Å; L276-E278 PolarHBondContact O-N 2.86Å; L276-C486 HydrophobicContact CD1-CB 4.31Å; L276-C486 HydrophobicContact CD2-CB 3.93Å; L276-I487 HydrophobicContact CD2-CG1 3.79Å; L276-Y660 HydrophobicContact CB-CD2 3.96Å; L276-Y660 HydrophobicContact CB-CE2 3.55Å; L276-Y660 HydrophobicContact CD1-CD2 3.79Å; L276-Y660 HydrophobicContact CD1-CE2 3.88Å; L276-Y660 HydrophobicContact CD1-CG 4.24Å; L276-Y660 HydrophobicContact CD2-CE2 3.85Å; L276-Y660 HydrophobicContact CG-CD2 4.33Å; L276-Y660 HydrophobicContact CG-CE2 3.96Å | ||
| 277 | L | 83.4 | Confident | 84.7 | Confident | 23 Ų | 23 | 33.8 Ų | 33.8 | 12% | 0.12 | 17% | 0.17 | C | C | . | . | trans | -70.7 | 123.5 | 165.2 | -177.8 | 70 | 0 | 0 | 0 | 109.4 | F253 K279 F292 Y440 E441 F444 | F253-L277 HydrophobicContact CB-CD1 4.12Å; L277-K279 PolarHBondContact O-N 2.8Å; L277-F292 HydrophobicContact CD1-CE1 3.9Å; L277-F292 HydrophobicContact CD1-CZ 3.83Å; L277-F292 HydrophobicContact CG-CZ 4.29Å; L277-Y440 HydrophobicContact CD2-CD1 3.98Å; L277-Y440 HydrophobicContact CD2-CE1 4.19Å; L277-E441 HydrophobicContact CD2-CB 4.42Å; L277-E441 HydrophobicContact CD2-CG 4.47Å; L277-F444 HydrophobicContact CB-CD1 4.45Å; L277-F444 HydrophobicContact CD1-CD1 4.18Å; L277-F444 HydrophobicContact CD1-CE1 4.17Å; L277-F444 HydrophobicContact CD1-CG 4.44Å; L277-F444 HydrophobicContact CD1-CZ 4.43Å; L277-F444 HydrophobicContact CD2-CB 3.87Å; L277-F444 HydrophobicContact CD2-CD1 3.86Å; L277-F444 HydrophobicContact CD2-CG 3.93Å; L277-F444 HydrophobicContact CG-CD1 4.39Å | ||
| 278 | E | 81.5 | Confident | 84.5 | Confident | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -73.1 | 69.2 | 175.4 | -164 | -174.9 | -178.3 | 0 | 0 | 111.4 | R252 L276 S280 R281 F292 E483 Q484 | R252-E278 HydrophobicContact CB-CB 4.04Å; R252-E278 WeakPolarHBondContact CD-OE2 3.02Å; R252-E278 IonicContact CZ-OE2 3.44Å; R252-E278 IonicContact NE-OE2 3.65Å; R252-E278 PolarHBondContact NE-OE2 3.3Å; R252-E278 IonicContact NH1-OE1 3.85Å; R252-E278 IonicContact NH1-OE2 2.78Å; R252-E278 PolarHBondContact NH1-OE2 3.44Å; R252-E278 PolarHBondContact O-N 3.46Å; L276-E278 PolarHBondContact O-N 2.86Å; E278-S280 PolarHBondContact O-N 2.89Å; E278-R281 VanDerWaalsContact O-CB 3.28Å; E278-R281 WeakPolarHBondContact O-CB 3.16Å; E278-R281 PolarHBondContact O-N 2.79Å; E278-R281 IonicContact OE1-CZ 2.8Å; E278-R281 IonicContact OE1-NE 3.54Å; E278-R281 IonicContact OE1-NH2 3.44Å; E278-R281 PolarHBondContact OE1-NH2 2.84Å; E278-R281 IonicContact OE2-CZ 2.84Å; E278-R281 IonicContact OE2-NE 3.44Å; E278-R281 PolarHBondContact OE2-NE 2.82Å; E278-R281 IonicContact OE2-NH2 3.32Å; E278-R281 PolarHBondContact OE2-NH2 3.35Å; E278-F292 WeakPolarHBondContact O-CZ 3.41Å; E278-E483 HydrophobicContact CG-CB 4.17Å; E278-E483 HydrophobicContact CG-CG 4.23Å; E278-Q484 PolarHBondContact OE1-NE2 3.21Å | ||
| 279 | K | 82.8 | Confident | 84.7 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 14% | 0.135 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -60.9 | -26.6 | -172.9 | 61.2 | -174.9 | 170.2 | -175.5 | 0 | 114.4 | L277 R281 A282 K437 E441 D604 | L277-K279 PolarHBondContact O-N 2.8Å; K279-R281 PolarHBondContact O-N 3.45Å; K279-A282 VanDerWaalsContact O-CB 3.27Å; K279-A282 WeakPolarHBondContact O-CB 3.29Å; K279-A282 PolarHBondContact O-N 3.43Å; K279-K437 HydrophobicContact CB-CB 4.26Å; K279-K437 HydrophobicContact CD-CB 4.18Å; K279-K437 HydrophobicContact CG-CB 4.22Å; K279-K437 HydrophobicContact CG-CD 4.38Å; K279-E441 HydrophobicContact CD-CB 4.41Å; K279-E441 VanDerWaalsContact CD-OE2 3.26Å; K279-E441 WeakPolarHBondContact CD-OE2 2.99Å; K279-E441 IonicContact NZ-OE2 2.97Å; K279-E441 PolarHBondContact NZ-OE2 3.33Å; K279-D604 VanDerWaalsContact CE-OD2 3.27Å; K279-D604 WeakPolarHBondContact CE-OD2 3.35Å; K279-D604 IonicContact NZ-OD2 3.17Å; K279-D604 PolarHBondContact NZ-OD2 2.72Å |
| 280 | S | 81 | Confident | 84.7 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -61.6 | -20.7 | 175 | 49 | 0 | 0 | 0 | 0 | 113 | E278 A282 N283 R284 E483 | E278-S280 PolarHBondContact O-N 2.89Å; S280-A282 PolarHBondContact O-N 3.27Å; S280-N283 PolarHBondContact O-N 2.88Å; S280-N283 PolarHBondContact O-OD1 2.83Å; S280-R284 PolarHBondContact O-N 3.37Å; S280-E483 VanDerWaalsContact CB-OE1 3.26Å; S280-E483 WeakPolarHBondContact CB-OE1 3.29Å; S280-E483 PolarHBondContact OG-OE1 3.48Å |
| 281 | R | 86 | Confident | 84.8 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -69.4 | -21.1 | 174.6 | -162.1 | 169.2 | -67.9 | -76.7 | -18.4 | 113.4 | A242 R252 E278 K279 N283 R284 Q285 E289 S291 F292 | A242-R281 HydrophobicContact CB-CG 4.38Å; R252-R281 VanDerWaalsContact NE-NE 3.14Å; R252-R281 VanDerWaalsContact NH2-CZ 3.27Å; E278-R281 VanDerWaalsContact O-CB 3.28Å; E278-R281 WeakPolarHBondContact O-CB 3.16Å; E278-R281 PolarHBondContact O-N 2.79Å; E278-R281 IonicContact OE1-CZ 2.8Å; E278-R281 IonicContact OE1-NE 3.54Å; E278-R281 IonicContact OE1-NH2 3.44Å; E278-R281 PolarHBondContact OE1-NH2 2.84Å; E278-R281 IonicContact OE2-CZ 2.84Å; E278-R281 IonicContact OE2-NE 3.44Å; E278-R281 PolarHBondContact OE2-NE 2.82Å; E278-R281 IonicContact OE2-NH2 3.32Å; E278-R281 PolarHBondContact OE2-NH2 3.35Å; K279-R281 PolarHBondContact O-N 3.45Å; R281-N283 VanDerWaalsContact C-N 3.28Å; R281-N283 PolarHBondContact O-N 3.37Å; R281-R284 WeakPolarHBondContact CA-O 3.02Å; R281-Q285 HydrophobicContact CG-CG 4.46Å; R281-Q285 PolarHBondContact O-NE2 3.3Å; R281-E289 IonicContact CZ-OE2 3.3Å; R281-E289 IonicContact NH1-OE1 3.2Å; R281-E289 IonicContact NH1-OE2 3.3Å; R281-E289 PolarHBondContact NH1-OE2 2.83Å; R281-E289 IonicContact NH2-OE2 2.67Å; R281-S291 PolarHBondContact O-OG 3.36Å; R281-F292 HydrophobicContact CB-CE2 4.17Å; R281-F292 HydrophobicContact CB-CZ 4.29Å |
| 282 | A | 87.5 | Confident | 85 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -66.2 | -31 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K279 S280 F292 F295 Y440 | K279-A282 VanDerWaalsContact O-CB 3.27Å; K279-A282 WeakPolarHBondContact O-CB 3.29Å; K279-A282 PolarHBondContact O-N 3.43Å; S280-A282 PolarHBondContact O-N 3.27Å; A282-F292 HydrophobicContact CB-CD2 4.28Å; A282-F292 HydrophobicContact CB-CE2 4.11Å; A282-F295 HydrophobicContact CB-CE2 4.41Å; A282-F295 HydrophobicContact CB-CZ 4.43Å; A282-Y440 HydrophobicContact CB-CG 4.39Å |
| 283 | N | 86.6 | Confident | 85.1 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -28.4 | -177.7 | 64.7 | -11.6 | 0 | 0 | 0 | 114.4 | S280 R281 F320 E433 | S280-N283 PolarHBondContact O-N 2.88Å; S280-N283 PolarHBondContact O-OD1 2.83Å; R281-N283 VanDerWaalsContact C-N 3.28Å; R281-N283 PolarHBondContact O-N 3.37Å; N283-F320 HydrophobicContact CB-CD1 3.69Å; N283-F320 HydrophobicContact CB-CD2 4.12Å; N283-F320 HydrophobicContact CB-CE1 3.68Å; N283-F320 HydrophobicContact CB-CE2 4.13Å; N283-F320 HydrophobicContact CB-CG 3.92Å; N283-F320 HydrophobicContact CB-CZ 3.92Å; N283-E433 WeakPolarHBondContact ND2-CB 3.17Å |
| 284 | R | 81.9 | Confident | 85.5 | Confident | 119 Ų | 119 | 32.2 Ų | 32.2 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | trans | -132 | 126.3 | -178.7 | -61.7 | -174.5 | -176.4 | -177.1 | 6 | 111.2 | S280 R281 E433 | S280-R284 PolarHBondContact O-N 3.37Å; R281-R284 WeakPolarHBondContact CA-O 3.02Å; R284-E433 IonicContact CZ-OE1 2.88Å; R284-E433 IonicContact CZ-OE2 3.42Å; R284-E433 IonicContact NE-OE1 2.95Å; R284-E433 PolarHBondContact NE-OE1 3.42Å; R284-E433 IonicContact NE-OE2 3.6Å; R284-E433 PolarHBondContact NE-OE2 2.84Å; R284-E433 IonicContact NH2-OE1 3.44Å; R284-E433 PolarHBondContact NH2-OE1 3.41Å; R284-E433 IonicContact NH2-OE2 3.49Å; R284-E433 PolarHBondContact NH2-OE2 3Å | ||
| 285 | Q | 84.9 | Confident | 85.9 | Confident | 21 Ų | 21 | 30.6 Ų | 30.6 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | trans | -118.3 | 145.5 | 174.6 | -54.1 | 82.4 | 30.4 | 0 | 0 | 110 | R281 E289 S291 F320 A322 | R281-Q285 HydrophobicContact CG-CG 4.46Å; R281-Q285 PolarHBondContact O-NE2 3.3Å; Q285-E289 HydrophobicContact CB-CB 4.32Å; Q285-S291 PolarHBondContact NE2-OG 2.89Å; Q285-F320 PolarHBondContact NE2-O 3.05Å; Q285-F320 PolarHBondContact OE1-O 2.75Å; Q285-A322 VanDerWaalsContact OE1-N 3.09Å | ||
| 286 | A | 80.7 | Confident | 86.6 | Confident | 56 Ų | 56 | 29.5 Ų | 29.5 | 46% | 0.463 | 15% | 0.147 | S | C | . | . | trans | -70.1 | 165.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D288 E289 N323 | A286-D288 PolarHBondContact O-N 3.46Å; A286-E289 HydrophobicContact CB-CG 4.03Å; A286-E289 WeakPolarHBondContact CB-OE2 3.3Å; A286-E289 WeakPolarHBondContact O-CB 2.95Å; A286-E289 PolarHBondContact O-N 2.78Å; A286-E289 VanDerWaalsContact O-N 3.12Å; A286-N323 PolarHBondContact O-ND2 3.49Å | ||
| 287 | K | 82.5 | Confident | 87.7 | Confident | 165 Ų | 165 | 28.2 Ų | 28.2 | 72% | 0.717 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 135.8 | 179.2 | -171.9 | -179.1 | 174.4 | -174.6 | 0 | 111 | E289 | K287-E289 PolarHBondContact O-N 3.2Š|
| 288 | D | 84.8 | Confident | 88.2 | Confident | 103 Ų | 103 | 27.1 Ų | 27.1 | 55% | 0.551 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 10.2 | -178.5 | -55.4 | -42.9 | 0 | 0 | 0 | 115.9 | A286 | A286-D288 PolarHBondContact O-N 3.46Š|
| 289 | E | 87.4 | Confident | 88.7 | Confident | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | trans | -95.7 | 154.5 | 172.9 | -59.6 | -159.9 | 134.6 | 0 | 0 | 112.4 | K243 T244 V245 R252 R281 Q285 A286 K287 N323 I326 | K243-E289 WeakPolarHBondContact O-CB 2.81Å; T244-E289 VanDerWaalsContact CA-OE1 3.23Å; T244-E289 WeakPolarHBondContact CA-OE1 3.36Å; T244-E289 VanDerWaalsContact CB-OE1 3.31Å; T244-E289 WeakPolarHBondContact CB-OE1 3.24Å; V245-E289 HydrophobicContact CG2-CG 4.05Å; V245-E289 PolarHBondContact N-OE1 3.29Å; R252-E289 IonicContact NH2-OE1 2.84Å; R281-E289 IonicContact CZ-OE2 3.3Å; R281-E289 IonicContact NH1-OE1 3.2Å; R281-E289 IonicContact NH1-OE2 3.3Å; R281-E289 PolarHBondContact NH1-OE2 2.83Å; R281-E289 IonicContact NH2-OE2 2.67Å; Q285-E289 HydrophobicContact CB-CB 4.32Å; A286-E289 HydrophobicContact CB-CG 4.03Å; A286-E289 WeakPolarHBondContact CB-OE2 3.3Å; A286-E289 WeakPolarHBondContact O-CB 2.95Å; A286-E289 PolarHBondContact O-N 2.78Å; A286-E289 VanDerWaalsContact O-N 3.12Å; K287-E289 PolarHBondContact O-N 3.2Å; E289-N323 PolarHBondContact N-ND2 3.06Å; E289-N323 PolarHBondContact O-ND2 3.05Å; E289-I326 WeakPolarHBondContact O-CD1 3.21Å | ||
| 290 | R | 90 | Very high | 89.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -104.7 | 152.7 | 176.3 | -164.1 | 173.7 | 142.4 | 165.6 | -18 | 109.4 | K243 H293 Y296 D333 | K243-R290 HydrophobicContact CB-CB 3.56Å; K243-R290 HydrophobicContact CG-CB 4.46Å; K243-R290 PolarHBondContact O-N 2.62Å; K243-R290 VanDerWaalsContact O-N 3.09Å; R290-H293 PolarHBondContact NH2-O 3.27Å; R290-Y296 HydrophobicContact CB-CE2 4.45Å; R290-Y296 HydrophobicContact CG-CD1 4.43Å; R290-Y296 HydrophobicContact CG-CD2 3.77Å; R290-Y296 HydrophobicContact CG-CE1 3.89Å; R290-Y296 HydrophobicContact CG-CE2 3.14Å; R290-Y296 HydrophobicContact CG-CG 4.39Å; R290-Y296 WeakPolarHBondContact CG-OH 2.99Å; R290-Y296 VanDerWaalsContact CZ-CB 3.46Å; R290-Y296 VanDerWaalsContact NE-CG 3.26Å; R290-Y296 VanDerWaalsContact NH2-CB 3.28Å; R290-D333 IonicContact CZ-OD1 3Å; R290-D333 IonicContact CZ-OD2 2.88Å; R290-D333 IonicContact NH1-OD1 2.82Å; R290-D333 PolarHBondContact NH1-OD1 2.78Å; R290-D333 VanDerWaalsContact NH1-OD1 3.11Å; R290-D333 IonicContact NH1-OD2 3.52Å; R290-D333 PolarHBondContact NH1-OD2 3.46Å; R290-D333 IonicContact NH2-OD1 3.64Å; R290-D333 PolarHBondContact NH2-OD1 2.81Å; R290-D333 IonicContact NH2-OD2 3.71Å; R290-D333 PolarHBondContact NH2-OD2 3.18Å | ||
| 291 | S | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -69.4 | -175.8 | 165.7 | -164.2 | 0 | 0 | 0 | 0 | 110.8 | R281 Q285 F295 Y296 | R281-S291 PolarHBondContact O-OG 3.36Å; Q285-S291 PolarHBondContact NE2-OG 2.89Å; S291-F295 VanDerWaalsContact OG-CD2 3.29Å; S291-F295 WeakPolarHBondContact OG-CD2 3.09Å; S291-F295 WeakPolarHBondContact OG-CE2 3.12Å; S291-Y296 PolarHBondContact N-OH 3.27Å | ||
| 292 | F | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -52.8 | 140.7 | 175.7 | -65.8 | -72.8 | 0 | 0 | 0 | 111.9 | F239 N241 A242 R252 L277 E278 R281 A282 I294 F295 Y440 | F239-F292 WeakPolarHBondContact O-CD1 3.39Å; N241-F292 VanDerWaalsContact O-CA 3.31Å; N241-F292 WeakPolarHBondContact O-CA 3.09Å; A242-F292 HydrophobicContact CB-CD1 4.49Å; R252-F292 HydrophobicContact CB-CE1 4.05Å; L277-F292 HydrophobicContact CD1-CE1 3.9Å; L277-F292 HydrophobicContact CD1-CZ 3.83Å; L277-F292 HydrophobicContact CG-CZ 4.29Å; E278-F292 WeakPolarHBondContact O-CZ 3.41Å; R281-F292 HydrophobicContact CB-CE2 4.17Å; R281-F292 HydrophobicContact CB-CZ 4.29Å; A282-F292 HydrophobicContact CB-CD2 4.28Å; A282-F292 HydrophobicContact CB-CE2 4.11Å; F292-I294 VanDerWaalsContact C-N 3.26Å; F292-I294 HydrophobicContact CB-CG2 4.26Å; F292-I294 PolarHBondContact O-N 2.72Å; F292-F295 HydrophobicContact CB-CD2 4Å; F292-F295 HydrophobicContact CB-CE2 4.04Å; F292-F295 HydrophobicContact CD2-CE2 4.06Å; F292-F295 WeakPolarHBondContact O-CD2 2.81Å; F292-F295 PolarHBondContact O-N 2.73Å; F292-Y440 VanDerWaalsContact CB-OH 3.25Å; F292-Y440 WeakPolarHBondContact CB-OH 3.07Å; F292-Y440 HydrophobicContact CD1-CE1 4.46Å; F292-Y440 HydrophobicContact CD2-CD1 4.25Å; F292-Y440 AromaticContact CD2-CE1 3.45Å; F292-Y440 HydrophobicContact CD2-CE1 3.45Å; F292-Y440 VanDerWaalsContact CD2-CE1 3.45Å; F292-Y440 HydrophobicContact CD2-CE2 4.35Å; F292-Y440 AromaticContact CD2-CZ 3.52Å; F292-Y440 HydrophobicContact CE1-CE1 4.46Å; F292-Y440 AromaticContact CE2-CD1 4Å; F292-Y440 HydrophobicContact CE2-CD1 4Å; F292-Y440 AromaticContact CE2-CE1 3.48Å; F292-Y440 HydrophobicContact CE2-CE1 3.48Å; F292-Y440 VanDerWaalsContact CE2-CE1 3.48Å; F292-Y440 AromaticContact CG-CE1 3.99Å; F292-Y440 HydrophobicContact CG-CE1 3.99Å; F292-Y440 AromaticContact CG-CZ 3.82Å; F292-Y440 VanDerWaalsContact CG-OH 3.29Å; F292-Y440 WeakPolarHBondContact CG-OH 3.09Å; F292-Y440 HydrophobicContact CZ-CE1 4.01Å |
| 293 | H | 94.5 | Very high | 90 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -36.7 | -170.2 | -66.8 | -45 | 0 | 0 | 0 | 113.3 | A238 N241 D248 N249 R290 F295 Y296 Q297 | A238-H293 PolarHBondContact O-N 2.8Å; N241-H293 PolarHBondContact O-CD2 2.73Å; N241-H293 VanDerWaalsContact O-CD2 3.31Å; N241-H293 PolarHBondContact O-N 3.47Å; D248-H293 PolarHBondContact O-CE1 2.81Å; D248-H293 VanDerWaalsContact O-CE1 3.31Å; N249-H293 PolarHBondContact OD1-CD2 2.81Å; N249-H293 PolarHBondContact OD1-NE2 2.64Å; N249-H293 VanDerWaalsContact OD1-NE2 3.16Å; R290-H293 PolarHBondContact NH2-O 3.27Å; H293-F295 PolarHBondContact O-N 3.01Å; H293-F295 VanDerWaalsContact O-N 3.14Å; H293-Y296 PolarHBondContact O-N 2.83Å; H293-Y296 VanDerWaalsContact O-N 3.1Å; H293-Q297 WeakPolarHBondContact O-CG 2.85Å; H293-Q297 PolarHBondContact O-N 2.69Å |
| 294 | I | 95.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.9 | -35.5 | -179.8 | -174.8 | 61.1 | 0 | 0 | 0 | 112.8 | A238 F239 F292 Y296 Q297 F298 Y440 | A238-I294 HydrophobicContact CB-CB 4.41Å; A238-I294 VanDerWaalsContact O-CB 3.26Å; A238-I294 WeakPolarHBondContact O-CB 3.13Å; A238-I294 WeakPolarHBondContact O-CG2 2.95Å; A238-I294 PolarHBondContact O-N 2.82Å; F239-I294 HydrophobicContact CD1-CB 4.43Å; F239-I294 HydrophobicContact CD1-CG1 4.28Å; F239-I294 HydrophobicContact CD1-CG2 4.03Å; F239-I294 HydrophobicContact CD2-CB 4.44Å; F239-I294 HydrophobicContact CD2-CG1 4.37Å; F239-I294 HydrophobicContact CE1-CB 4.49Å; F239-I294 HydrophobicContact CE1-CG1 3.85Å; F239-I294 HydrophobicContact CE1-CG2 4.36Å; F239-I294 HydrophobicContact CE2-CB 4.46Å; F239-I294 HydrophobicContact CE2-CD1 3.86Å; F239-I294 HydrophobicContact CE2-CG1 3.92Å; F239-I294 HydrophobicContact CG-CB 4.42Å; F239-I294 HydrophobicContact CG-CG2 4.29Å; F239-I294 HydrophobicContact CZ-CD1 3.87Å; F239-I294 HydrophobicContact CZ-CG1 3.66Å; F292-I294 VanDerWaalsContact C-N 3.26Å; F292-I294 HydrophobicContact CB-CG2 4.26Å; F292-I294 PolarHBondContact O-N 2.72Å; I294-Y296 VanDerWaalsContact C-N 3.33Å; I294-Y296 PolarHBondContact O-N 3.26Å; I294-Q297 PolarHBondContact O-N 3.36Å; I294-F298 WeakPolarHBondContact O-CB 3.18Å; I294-F298 PolarHBondContact O-N 2.7Å; I294-Y440 HydrophobicContact CG2-CE2 4.42Å; I294-Y440 WeakPolarHBondContact CG2-OH 2.77Å |
| 295 | F | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | -179.6 | -68.9 | -59.6 | 0 | 0 | 0 | 112 | A282 S291 F292 H293 L299 L321 V361 V364 L365 Y440 | A282-F295 HydrophobicContact CB-CE2 4.41Å; A282-F295 HydrophobicContact CB-CZ 4.43Å; S291-F295 VanDerWaalsContact OG-CD2 3.29Å; S291-F295 WeakPolarHBondContact OG-CD2 3.09Å; S291-F295 WeakPolarHBondContact OG-CE2 3.12Å; F292-F295 HydrophobicContact CB-CD2 4Å; F292-F295 HydrophobicContact CB-CE2 4.04Å; F292-F295 HydrophobicContact CD2-CE2 4.06Å; F292-F295 WeakPolarHBondContact O-CD2 2.81Å; F292-F295 PolarHBondContact O-N 2.73Å; H293-F295 PolarHBondContact O-N 3.01Å; H293-F295 VanDerWaalsContact O-N 3.14Å; F295-L299 WeakPolarHBondContact O-CD1 3.11Å; F295-L299 WeakPolarHBondContact O-CG 2.67Å; F295-L299 PolarHBondContact O-N 2.67Å; F295-L299 VanDerWaalsContact O-N 3.15Å; F295-L321 HydrophobicContact CB-CD2 4.37Å; F295-V361 HydrophobicContact CD1-CG1 3.65Å; F295-V361 HydrophobicContact CE1-CG1 3.74Å; F295-V364 HydrophobicContact CE1-CB 4.45Å; F295-V364 HydrophobicContact CE1-CG1 4.11Å; F295-V364 HydrophobicContact CZ-CG1 3.92Å; F295-L365 HydrophobicContact CB-CD2 4.41Å; F295-L365 HydrophobicContact CD1-CD1 3.99Å; F295-L365 HydrophobicContact CD1-CD2 3.59Å; F295-L365 HydrophobicContact CD1-CG 3.66Å; F295-L365 HydrophobicContact CE1-CD2 4.04Å; F295-L365 HydrophobicContact CE1-CG 3.96Å; F295-L365 HydrophobicContact CG-CD2 4.12Å; F295-Y440 HydrophobicContact CE1-CE2 4.26Å; F295-Y440 HydrophobicContact CE2-CE2 4.04Å; F295-Y440 AromaticContact CZ-CD2 3.83Å; F295-Y440 HydrophobicContact CZ-CD2 3.83Å; F295-Y440 AromaticContact CZ-CE2 3.59Å; F295-Y440 HydrophobicContact CZ-CE2 3.59Å |
| 296 | Y | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -86 | -33.4 | -177.2 | -48.9 | -111 | 0 | 0 | 0 | 111.4 | R290 S291 H293 I294 F298 L299 H300 V315 L321 G324 | R290-Y296 HydrophobicContact CB-CE2 4.45Å; R290-Y296 HydrophobicContact CG-CD1 4.43Å; R290-Y296 HydrophobicContact CG-CD2 3.77Å; R290-Y296 HydrophobicContact CG-CE1 3.89Å; R290-Y296 HydrophobicContact CG-CE2 3.14Å; R290-Y296 HydrophobicContact CG-CG 4.39Å; R290-Y296 WeakPolarHBondContact CG-OH 2.99Å; R290-Y296 VanDerWaalsContact CZ-CB 3.46Å; R290-Y296 VanDerWaalsContact NE-CG 3.26Å; R290-Y296 VanDerWaalsContact NH2-CB 3.28Å; S291-Y296 PolarHBondContact N-OH 3.27Å; H293-Y296 PolarHBondContact O-N 2.83Å; H293-Y296 VanDerWaalsContact O-N 3.1Å; I294-Y296 VanDerWaalsContact C-N 3.33Å; I294-Y296 PolarHBondContact O-N 3.26Å; Y296-F298 VanDerWaalsContact C-N 3.27Å; Y296-F298 PolarHBondContact O-N 2.66Å; Y296-L299 PolarHBondContact O-N 2.65Å; Y296-H300 WeakPolarHBondContact O-CB 3.25Å; Y296-H300 PolarHBondContact O-N 2.71Å; Y296-H300 PolarHBondContact O-ND1 2.85Å; Y296-V315 HydrophobicContact CD1-CG1 4.22Å; Y296-V315 HydrophobicContact CE1-CG1 4.05Å; Y296-L321 HydrophobicContact CE2-CD2 4.24Å; Y296-G324 WeakPolarHBondContact CE1-O 2.96Å |
| 297 | Q | 93.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.8 | -46.4 | 169.6 | -72.1 | 175.2 | -5.5 | 0 | 0 | 110 | H293 I294 G301 D333 E336 F337 | H293-Q297 WeakPolarHBondContact O-CG 2.85Å; H293-Q297 PolarHBondContact O-N 2.69Å; I294-Q297 PolarHBondContact O-N 3.36Å; Q297-G301 WeakPolarHBondContact O-CA 2.85Å; Q297-G301 PolarHBondContact O-N 2.63Å; Q297-D333 WeakPolarHBondContact CA-O 2.81Å; Q297-D333 HydrophobicContact CG-CB 4.45Å; Q297-E336 HydrophobicContact CG-CB 4.16Å; Q297-F337 HydrophobicContact CB-CB 3.92Å; Q297-F337 HydrophobicContact CB-CD2 4.17Å; Q297-F337 WeakPolarHBondContact O-CB 3.43Å; Q297-F337 WeakPolarHBondContact O-CG 3.48Å |
| 298 | F | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 178.1 | -176.3 | -141.3 | 0 | 0 | 0 | 112.9 | I294 Y296 T302 F310 L312 F337 L358 V361 | I294-F298 WeakPolarHBondContact O-CB 3.18Å; I294-F298 PolarHBondContact O-N 2.7Å; Y296-F298 VanDerWaalsContact C-N 3.27Å; Y296-F298 PolarHBondContact O-N 2.66Å; F298-T302 HydrophobicContact CD2-CG2 3.35Å; F298-T302 HydrophobicContact CE2-CG2 3.39Å; F298-T302 HydrophobicContact CG-CG2 4.41Å; F298-T302 HydrophobicContact CZ-CG2 4.5Å; F298-T302 WeakPolarHBondContact O-CB 3.28Å; F298-T302 WeakPolarHBondContact O-CG2 3.25Å; F298-T302 PolarHBondContact O-N 3.36Å; F298-T302 PolarHBondContact O-OG1 2.62Å; F298-F310 AromaticContact CE2-CD2 3.84Å; F298-F310 HydrophobicContact CE2-CD2 3.84Å; F298-F310 HydrophobicContact CE2-CE2 4.2Å; F298-F310 HydrophobicContact CE2-CG 4.21Å; F298-F310 HydrophobicContact CZ-CB 3.79Å; F298-F310 HydrophobicContact CZ-CD1 4.17Å; F298-F310 AromaticContact CZ-CD2 3.77Å; F298-F310 HydrophobicContact CZ-CD2 3.77Å; F298-F310 HydrophobicContact CZ-CE2 4.4Å; F298-F310 AromaticContact CZ-CG 3.66Å; F298-F310 HydrophobicContact CZ-CG 3.66Å; F298-L312 HydrophobicContact CD1-CD1 4.18Å; F298-L312 HydrophobicContact CD1-CD2 4.13Å; F298-L312 HydrophobicContact CD2-CD1 4.28Å; F298-L312 HydrophobicContact CE1-CD1 3.83Å; F298-L312 HydrophobicContact CE1-CD2 3.53Å; F298-L312 HydrophobicContact CE1-CG 4.27Å; F298-L312 HydrophobicContact CE2-CD1 3.9Å; F298-L312 HydrophobicContact CG-CD1 4.41Å; F298-L312 HydrophobicContact CZ-CD1 3.68Å; F298-L312 HydrophobicContact CZ-CD2 4.02Å; F298-L312 HydrophobicContact CZ-CG 4.32Å; F298-F337 HydrophobicContact CB-CD2 4.47Å; F298-F337 HydrophobicContact CB-CE2 4.17Å; F298-F337 AromaticContact CD2-CE2 3.79Å; F298-F337 HydrophobicContact CD2-CE2 3.79Å; F298-F337 AromaticContact CD2-CZ 3.92Å; F298-F337 HydrophobicContact CD2-CZ 3.92Å; F298-F337 HydrophobicContact CG-CE2 4.45Å; F298-L358 HydrophobicContact CD2-CD1 4.42Å; F298-L358 HydrophobicContact CD2-CD2 3.79Å; F298-L358 HydrophobicContact CE2-CB 3.9Å; F298-L358 HydrophobicContact CE2-CD1 3.95Å; F298-L358 HydrophobicContact CE2-CD2 3.84Å; F298-L358 HydrophobicContact CE2-CG 4.1Å; F298-L358 HydrophobicContact CG-CD2 4.24Å; F298-L358 HydrophobicContact CZ-CB 3.8Å; F298-L358 HydrophobicContact CZ-CD2 4.29Å; F298-L358 HydrophobicContact CZ-CG 4.46Å; F298-V361 HydrophobicContact CD1-CG1 3.94Å; F298-V361 HydrophobicContact CE1-CG1 4.37Å |
| 299 | L | 93.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.4 | -33.2 | 179.8 | -68.5 | 172.7 | 0 | 0 | 0 | 113.6 | F295 Y296 K307 L312 N313 V315 Y318 L321 L365 | F295-L299 WeakPolarHBondContact O-CD1 3.11Å; F295-L299 WeakPolarHBondContact O-CG 2.67Å; F295-L299 PolarHBondContact O-N 2.67Å; F295-L299 VanDerWaalsContact O-N 3.15Å; Y296-L299 PolarHBondContact O-N 2.65Å; L299-K307 VanDerWaalsContact O-CE 3.24Å; L299-K307 WeakPolarHBondContact O-CE 3.31Å; L299-K307 PolarHBondContact O-NZ 2.81Å; L299-L312 HydrophobicContact CD2-CB 4.18Å; L299-L312 HydrophobicContact CD2-CD1 4.45Å; L299-L312 HydrophobicContact CD2-CD2 4.19Å; L299-N313 WeakPolarHBondContact CD2-O 2.89Å; L299-V315 HydrophobicContact CB-CG2 4.3Å; L299-V315 HydrophobicContact CD1-CB 4.46Å; L299-V315 HydrophobicContact CD1-CG2 3.91Å; L299-Y318 HydrophobicContact CD1-CD2 4.05Å; L299-Y318 HydrophobicContact CD1-CE2 3.82Å; L299-Y318 HydrophobicContact CD2-CE2 3.62Å; L299-Y318 HydrophobicContact CG-CE2 4.39Å; L299-L321 HydrophobicContact CD1-CD1 3.95Å; L299-L365 HydrophobicContact CD1-CD1 4.38Å; L299-L365 HydrophobicContact CD2-CD1 4.31Å; L299-L365 HydrophobicContact CG-CD1 4.44Å |
| 300 | H | 92.1 | Very high | 92.1 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -90.5 | -37.2 | 179.7 | -66.7 | 95.5 | 0 | 0 | 0 | 113.5 | Y296 N325 D333 A334 | Y296-H300 WeakPolarHBondContact O-CB 3.25Å; Y296-H300 PolarHBondContact O-N 2.71Å; Y296-H300 PolarHBondContact O-ND1 2.85Å; H300-N325 PolarHBondContact CE1-ND2 2.77Å; H300-N325 PolarHBondContact CE1-OD1 3.46Å; H300-N325 PolarHBondContact NE2-ND2 3.17Å; H300-N325 VanDerWaalsContact NE2-ND2 3.13Å; H300-D333 HydrophobicContact CB-CB 4.22Å; H300-A334 HydrophobicContact CB-CB 4.49Å |
| 301 | G | 91.5 | Very high | 92.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -86 | -10.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q297 F337 H338 | Q297-G301 WeakPolarHBondContact O-CA 2.85Å; Q297-G301 PolarHBondContact O-N 2.63Å; G301-F337 WeakPolarHBondContact O-CD1 3.38Å; G301-H338 PolarHBondContact O-CE1 3.36Å |
| 302 | T | 90.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -76.6 | 138.7 | 177.1 | 42.1 | 0 | 0 | 0 | 0 | 112.7 | F298 E306 K307 L312 F337 | F298-T302 HydrophobicContact CD2-CG2 3.35Å; F298-T302 HydrophobicContact CE2-CG2 3.39Å; F298-T302 HydrophobicContact CG-CG2 4.41Å; F298-T302 HydrophobicContact CZ-CG2 4.5Å; F298-T302 WeakPolarHBondContact O-CB 3.28Å; F298-T302 WeakPolarHBondContact O-CG2 3.25Å; F298-T302 PolarHBondContact O-N 3.36Å; F298-T302 PolarHBondContact O-OG1 2.62Å; T302-E306 HydrophobicContact CG2-CB 4.07Å; T302-K307 WeakPolarHBondContact O-CE 3.3Å; T302-K307 VanDerWaalsContact OG1-CE 3.24Å; T302-K307 WeakPolarHBondContact OG1-CE 3.31Å; T302-K307 WeakPolarHBondContact OG1-CG 2.99Å; T302-L312 HydrophobicContact CG2-CD1 4.02Å; T302-F337 HydrophobicContact CG2-CE1 4.24Å; T302-F337 HydrophobicContact CG2-CZ 4.1Å |
| 303 | T | 89.8 | Confident | 92 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | trans | -67.4 | 161.9 | 171.3 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | E305 E306 K307 | T303-E305 PolarHBondContact O-N 3.29Å; T303-E306 WeakPolarHBondContact CB-OE2 2.85Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.19Å; T303-E306 PolarHBondContact N-OE2 3.08Å; T303-E306 PolarHBondContact O-N 3.5Å; T303-E306 VanDerWaalsContact OG1-CD 3.3Å; T303-E306 VanDerWaalsContact OG1-CG 3.27Å; T303-E306 WeakPolarHBondContact OG1-CG 2.98Å; T303-E306 PolarHBondContact OG1-N 3.13Å; T303-E306 PolarHBondContact OG1-OE2 2.63Å; T303-K307 WeakPolarHBondContact O-CG 2.98Å; T303-K307 PolarHBondContact O-N 2.83Å | ||
| 304 | A | 89 | Confident | 91.7 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.9 | -24.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R308 | A304-R308 PolarHBondContact O-N 3.15Å; A304-R308 PolarHBondContact O-NE 2.94Å |
| 305 | E | 88.8 | Confident | 91.4 | Very high | 138 Ų | 138 | 51 Ų | 51 | 65% | 0.645 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -76.2 | -46.9 | 174.3 | -174.1 | 173.7 | -179.3 | 0 | 0 | 111.7 | T303 K307 R308 T309 | T303-E305 PolarHBondContact O-N 3.29Å; E305-K307 VanDerWaalsContact C-N 3.3Å; E305-K307 PolarHBondContact O-N 3.4Å; E305-R308 PolarHBondContact O-N 2.88Å; E305-T309 PolarHBondContact O-N 3.06Å; E305-T309 PolarHBondContact O-OG1 2.72Å |
| 306 | E | 89.6 | Confident | 91.1 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 174.3 | -70.9 | 166.1 | 142.9 | 0 | 0 | 111.3 | T302 T303 R308 T309 F310 | T302-E306 HydrophobicContact CG2-CB 4.07Å; T303-E306 WeakPolarHBondContact CB-OE2 2.85Å; T303-E306 WeakPolarHBondContact CG2-OE2 3.19Å; T303-E306 PolarHBondContact N-OE2 3.08Å; T303-E306 PolarHBondContact O-N 3.5Å; T303-E306 VanDerWaalsContact OG1-CD 3.3Å; T303-E306 VanDerWaalsContact OG1-CG 3.27Å; T303-E306 WeakPolarHBondContact OG1-CG 2.98Å; T303-E306 PolarHBondContact OG1-N 3.13Å; T303-E306 PolarHBondContact OG1-OE2 2.63Å; E306-R308 VanDerWaalsContact C-N 3.29Å; E306-R308 PolarHBondContact O-N 3.04Å; E306-T309 PolarHBondContact O-N 2.69Å; E306-T309 VanDerWaalsContact O-N 3.11Å; E306-F310 HydrophobicContact CB-CD2 4.07Å; E306-F310 HydrophobicContact CB-CE2 4.11Å; E306-F310 HydrophobicContact CG-CE2 4.34Å; E306-F310 WeakPolarHBondContact O-CD2 3.25Å; E306-F310 PolarHBondContact O-N 3.34Å |
| 307 | K | 90.1 | Very high | 90.8 | Very high | 72 Ų | 72 | 62 Ų | 62 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.5 | -39.8 | 175.4 | -75.3 | -177.1 | 179.1 | -170.8 | 0 | 112.9 | L299 T302 T303 E305 L311 L312 | L299-K307 VanDerWaalsContact O-CE 3.24Å; L299-K307 WeakPolarHBondContact O-CE 3.31Å; L299-K307 PolarHBondContact O-NZ 2.81Å; T302-K307 WeakPolarHBondContact O-CE 3.3Å; T302-K307 VanDerWaalsContact OG1-CE 3.24Å; T302-K307 WeakPolarHBondContact OG1-CE 3.31Å; T302-K307 WeakPolarHBondContact OG1-CG 2.99Å; T303-K307 WeakPolarHBondContact O-CG 2.98Å; T303-K307 PolarHBondContact O-N 2.83Å; E305-K307 VanDerWaalsContact C-N 3.3Å; E305-K307 PolarHBondContact O-N 3.4Å; K307-L311 PolarHBondContact O-N 3.32Å; K307-L311 VanDerWaalsContact O-N 3.14Å; K307-L312 HydrophobicContact CB-CB 4.42Å; K307-L312 HydrophobicContact CG-CB 4.33Å; K307-L312 HydrophobicContact CG-CD1 4.3Å; K307-L312 PolarHBondContact O-N 3.34Å |
| 308 | R | 91 | Very high | 90.7 | Very high | 185 Ų | 185 | 61.7 Ų | 61.7 | 70% | 0.698 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70.2 | -41 | 175.7 | -73.6 | -176.6 | -72.9 | 172.4 | 1.6 | 111.5 | A304 E305 E306 L311 | A304-R308 PolarHBondContact O-N 3.15Å; A304-R308 PolarHBondContact O-NE 2.94Å; E305-R308 PolarHBondContact O-N 2.88Å; E306-R308 VanDerWaalsContact C-N 3.29Å; E306-R308 PolarHBondContact O-N 3.04Å; R308-L311 PolarHBondContact O-N 2.89Å |
| 309 | T | 91.1 | Very high | 90.5 | Very high | 86 Ų | 86 | 68 Ų | 68 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | -178.8 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | E305 E306 L311 | E305-T309 PolarHBondContact O-N 3.06Å; E305-T309 PolarHBondContact O-OG1 2.72Å; E306-T309 PolarHBondContact O-N 2.69Å; E306-T309 VanDerWaalsContact O-N 3.11Å; T309-L311 VanDerWaalsContact C-N 3.3Å; T309-L311 PolarHBondContact O-N 2.64Å |
| 310 | F | 93.1 | Very high | 90.5 | Very high | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.053 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 5.3 | 179 | -62.7 | -66.1 | 0 | 0 | 0 | 113.4 | F298 E306 L312 L358 R359 S362 | F298-F310 AromaticContact CE2-CD2 3.84Å; F298-F310 HydrophobicContact CE2-CD2 3.84Å; F298-F310 HydrophobicContact CE2-CE2 4.2Å; F298-F310 HydrophobicContact CE2-CG 4.21Å; F298-F310 HydrophobicContact CZ-CB 3.79Å; F298-F310 HydrophobicContact CZ-CD1 4.17Å; F298-F310 AromaticContact CZ-CD2 3.77Å; F298-F310 HydrophobicContact CZ-CD2 3.77Å; F298-F310 HydrophobicContact CZ-CE2 4.4Å; F298-F310 AromaticContact CZ-CG 3.66Å; F298-F310 HydrophobicContact CZ-CG 3.66Å; E306-F310 HydrophobicContact CB-CD2 4.07Å; E306-F310 HydrophobicContact CB-CE2 4.11Å; E306-F310 HydrophobicContact CG-CE2 4.34Å; E306-F310 WeakPolarHBondContact O-CD2 3.25Å; E306-F310 PolarHBondContact O-N 3.34Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 HydrophobicContact CB-CD1 4.1Å; F310-L312 HydrophobicContact CB-CD2 4.1Å; F310-L312 HydrophobicContact CB-CG 3.78Å; F310-L312 PolarHBondContact O-N 3.45Å; F310-L358 HydrophobicContact CD1-CB 4.32Å; F310-L358 HydrophobicContact CE1-CB 3.8Å; F310-L358 HydrophobicContact CE2-CD1 4.34Å; F310-L358 HydrophobicContact CZ-CB 3.91Å; F310-L358 HydrophobicContact CZ-CD1 4.14Å; F310-R359 HydrophobicContact CD1-CG 3.94Å; F310-R359 HydrophobicContact CE1-CG 3.86Å; F310-S362 PolarHBondContact O-OG 3.38Å |
| 311 | L | 93.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 64.9 Ų | 64.9 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 41.4 | 178.8 | -55.1 | 171.9 | 0 | 0 | 0 | 113.3 | K307 R308 T309 H366 K391 L395 | K307-L311 PolarHBondContact O-N 3.32Å; K307-L311 VanDerWaalsContact O-N 3.14Å; R308-L311 PolarHBondContact O-N 2.89Å; T309-L311 VanDerWaalsContact C-N 3.3Å; T309-L311 PolarHBondContact O-N 2.64Å; L311-H366 PolarHBondContact O-CE1 2.81Å; L311-H366 PolarHBondContact O-NE2 3.16Å; L311-K391 HydrophobicContact CD1-CB 3.99Å; L311-K391 HydrophobicContact CD1-CG 4.03Å; L311-L395 HydrophobicContact CD1-CD2 4.44Å; L311-L395 HydrophobicContact CD1-CG 4.27Å |
| 312 | L | 92 | Very high | 90 | Very high | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | trans | -84.6 | 135.6 | -173.5 | -57.5 | 176.7 | 0 | 0 | 0 | 113.1 | F298 L299 T302 K307 F310 Y318 | F298-L312 HydrophobicContact CD1-CD1 4.18Å; F298-L312 HydrophobicContact CD1-CD2 4.13Å; F298-L312 HydrophobicContact CD2-CD1 4.28Å; F298-L312 HydrophobicContact CE1-CD1 3.83Å; F298-L312 HydrophobicContact CE1-CD2 3.53Å; F298-L312 HydrophobicContact CE1-CG 4.27Å; F298-L312 HydrophobicContact CE2-CD1 3.9Å; F298-L312 HydrophobicContact CG-CD1 4.41Å; F298-L312 HydrophobicContact CZ-CD1 3.68Å; F298-L312 HydrophobicContact CZ-CD2 4.02Å; F298-L312 HydrophobicContact CZ-CG 4.32Å; L299-L312 HydrophobicContact CD2-CB 4.18Å; L299-L312 HydrophobicContact CD2-CD1 4.45Å; L299-L312 HydrophobicContact CD2-CD2 4.19Å; T302-L312 HydrophobicContact CG2-CD1 4.02Å; K307-L312 HydrophobicContact CB-CB 4.42Å; K307-L312 HydrophobicContact CG-CB 4.33Å; K307-L312 HydrophobicContact CG-CD1 4.3Å; K307-L312 PolarHBondContact O-N 3.34Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 HydrophobicContact CB-CD1 4.1Å; F310-L312 HydrophobicContact CB-CD2 4.1Å; F310-L312 HydrophobicContact CB-CG 3.78Å; F310-L312 PolarHBondContact O-N 3.45Å; L312-Y318 WeakPolarHBondContact CA-OH 3.31Å | ||
| 313 | N | 89.2 | Confident | 89.8 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | trans | -101.6 | 176.6 | 174.2 | -78.1 | -9.4 | 0 | 0 | 0 | 112.2 | L299 Q317 Y318 | L299-N313 WeakPolarHBondContact CD2-O 2.89Å; N313-Q317 HydrophobicContact CB-CB 4.06Å; N313-Y318 HydrophobicContact CB-CE1 4.27Å; N313-Y318 HydrophobicContact CB-CE2 3.97Å; N313-Y318 PolarHBondContact N-OH 2.62Å; N313-Y318 WeakPolarHBondContact O-CE2 3.25Å | ||
| 314 | N | 88.6 | Confident | 89.7 | Confident | 114 Ų | 114 | 67 Ų | 67 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | trans | -70.7 | 154.7 | 172.7 | -71.1 | -37.1 | 0 | 0 | 0 | 111.6 | N316 Q317 Y318 | N314-N316 VanDerWaalsContact C-N 3.29Å; N314-N316 PolarHBondContact O-N 2.56Å; N314-Q317 HydrophobicContact CB-CG 4.35Å; N314-Q317 WeakPolarHBondContact O-CB 2.93Å; N314-Q317 PolarHBondContact O-N 3.26Å; N314-Y318 WeakPolarHBondContact O-CD2 2.94Å | ||
| 315 | V | 88.3 | Confident | 89.6 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -51.8 | -44.1 | -176.2 | -177 | 0 | 0 | 0 | 0 | 112.9 | Y296 L299 Q317 Y318 L321 N325 | Y296-V315 HydrophobicContact CD1-CG1 4.22Å; Y296-V315 HydrophobicContact CE1-CG1 4.05Å; L299-V315 HydrophobicContact CB-CG2 4.3Å; L299-V315 HydrophobicContact CD1-CB 4.46Å; L299-V315 HydrophobicContact CD1-CG2 3.91Å; V315-Q317 PolarHBondContact O-N 2.75Å; V315-Q317 VanDerWaalsContact O-N 3.13Å; V315-Y318 PolarHBondContact O-N 3.42Å; V315-L321 HydrophobicContact CG1-CD1 3.9Å; V315-N325 HydrophobicContact CB-CB 4.1Å; V315-N325 HydrophobicContact CG1-CB 3.86Å; V315-N325 HydrophobicContact CG2-CB 4.36Å |
| 316 | N | 88.1 | Confident | 89.4 | Confident | 130 Ų | 130 | 62 Ų | 62 | 70% | 0.695 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -72.1 | -3.5 | -177.3 | -61.7 | -16.4 | 0 | 0 | 0 | 114.1 | N314 | N314-N316 VanDerWaalsContact C-N 3.29Å; N314-N316 PolarHBondContact O-N 2.56Å |
| 317 | Q | 89.1 | Confident | 89.1 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -97 | 7.4 | 179.2 | -63.1 | 176.6 | -40.5 | 0 | 0 | 112.6 | N313 N314 V315 N369 | N313-Q317 HydrophobicContact CB-CB 4.06Å; N314-Q317 HydrophobicContact CB-CG 4.35Å; N314-Q317 WeakPolarHBondContact O-CB 2.93Å; N314-Q317 PolarHBondContact O-N 3.26Å; V315-Q317 PolarHBondContact O-N 2.75Å; V315-Q317 VanDerWaalsContact O-N 3.13Å; Q317-N369 PolarHBondContact O-ND2 2.89Å; Q317-N369 PolarHBondContact O-OD1 3.19Å |
| 318 | Y | 91.6 | Very high | 88.8 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | trans | -113.3 | 115.9 | 178.3 | -63.7 | -72 | 0 | 0 | 0 | 111.1 | L299 L312 N313 N314 V315 F320 L321 L365 N369 | L299-Y318 HydrophobicContact CD1-CD2 4.05Å; L299-Y318 HydrophobicContact CD1-CE2 3.82Å; L299-Y318 HydrophobicContact CD2-CE2 3.62Å; L299-Y318 HydrophobicContact CG-CE2 4.39Å; L312-Y318 WeakPolarHBondContact CA-OH 3.31Å; N313-Y318 HydrophobicContact CB-CE1 4.27Å; N313-Y318 HydrophobicContact CB-CE2 3.97Å; N313-Y318 PolarHBondContact N-OH 2.62Å; N313-Y318 WeakPolarHBondContact O-CE2 3.25Å; N314-Y318 WeakPolarHBondContact O-CD2 2.94Å; V315-Y318 PolarHBondContact O-N 3.42Å; Y318-F320 VanDerWaalsContact C-N 3.28Å; Y318-F320 PolarHBondContact O-N 2.68Å; Y318-L321 HydrophobicContact CD2-CD1 4.17Å; Y318-L321 HydrophobicContact CG-CD1 4.5Å; Y318-L321 PolarHBondContact O-N 3.17Å; Y318-L365 HydrophobicContact CD1-CB 3.67Å; Y318-L365 HydrophobicContact CD1-CD2 4.48Å; Y318-L365 HydrophobicContact CE1-CB 3.6Å; Y318-L365 HydrophobicContact CE1-CD1 4.42Å; Y318-L365 HydrophobicContact CE2-CD1 4.36Å; Y318-L365 HydrophobicContact CG-CB 4.3Å; Y318-L365 HydrophobicContact CG-CD2 4.28Å; Y318-N369 WeakPolarHBondContact CA-OD1 3.23Å | ||
| 319 | R | 90.9 | Very high | 88.5 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 50% | 0.502 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -34.3 | -179.1 | -173.8 | 177.4 | 174.2 | -175.6 | -6 | 113.2 | L321 G368 N369 E429 | R319-L321 PolarHBondContact O-N 3.26Å; R319-G368 WeakPolarHBondContact CB-O 3.04Å; R319-G368 WeakPolarHBondContact CD-O 2.84Å; R319-N369 PolarHBondContact N-OD1 3.18Å; R319-E429 IonicContact CZ-OE1 2.7Å; R319-E429 IonicContact NH1-OE1 3.94Å; R319-E429 PolarHBondContact NH1-OE1 2.82Å; R319-E429 IonicContact NH2-OE1 3.57Å; R319-E429 PolarHBondContact NH2-OE1 3.5Å |
| 320 | F | 92.1 | Very high | 88 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9 | 176.8 | -75 | -11.1 | 0 | 0 | 0 | 114.1 | N283 Q285 Y318 V364 F367 G368 E433 S436 | N283-F320 HydrophobicContact CB-CD1 3.69Å; N283-F320 HydrophobicContact CB-CD2 4.12Å; N283-F320 HydrophobicContact CB-CE1 3.68Å; N283-F320 HydrophobicContact CB-CE2 4.13Å; N283-F320 HydrophobicContact CB-CG 3.92Å; N283-F320 HydrophobicContact CB-CZ 3.92Å; Q285-F320 PolarHBondContact NE2-O 3.05Å; Q285-F320 PolarHBondContact OE1-O 2.75Å; Y318-F320 VanDerWaalsContact C-N 3.28Å; Y318-F320 PolarHBondContact O-N 2.68Å; F320-V364 VanDerWaalsContact CD2-O 3.22Å; F320-V364 WeakPolarHBondContact CD2-O 3.47Å; F320-V364 WeakPolarHBondContact CE2-O 2.95Å; F320-F367 HydrophobicContact CE2-CB 3.96Å; F320-F367 HydrophobicContact CZ-CB 4.46Å; F320-G368 VanDerWaalsContact CE2-CA 3.44Å; F320-E433 HydrophobicContact CE1-CG 4.14Å; F320-E433 HydrophobicContact CZ-CG 4.3Å; F320-S436 WeakPolarHBondContact CE2-OG 2.94Å |
| 321 | L | 91.7 | Very high | 87.6 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -102.7 | 65.9 | 171.8 | -56.3 | -176.9 | 0 | 0 | 0 | 108.7 | F295 Y296 L299 V315 Y318 R319 N323 G324 L365 | F295-L321 HydrophobicContact CB-CD2 4.37Å; Y296-L321 HydrophobicContact CE2-CD2 4.24Å; L299-L321 HydrophobicContact CD1-CD1 3.95Å; V315-L321 HydrophobicContact CG1-CD1 3.9Å; Y318-L321 HydrophobicContact CD2-CD1 4.17Å; Y318-L321 HydrophobicContact CG-CD1 4.5Å; Y318-L321 PolarHBondContact O-N 3.17Å; R319-L321 PolarHBondContact O-N 3.26Å; L321-N323 PolarHBondContact O-N 2.68Å; L321-N323 VanDerWaalsContact O-N 3.09Å; L321-G324 PolarHBondContact O-N 3.41Å; L321-L365 HydrophobicContact CD1-CD2 4.01Å; L321-L365 HydrophobicContact CD2-CD2 4.11Å; L321-L365 HydrophobicContact CG-CD2 4.03Å |
| 322 | A | 81.7 | Confident | 87.5 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q285 | Q285-A322 VanDerWaalsContact OE1-N 3.09Š|
| 323 | N | 87 | Confident | 87.6 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 9.7 | 179.7 | -57.5 | -43.7 | 0 | 0 | 0 | 114 | A286 E289 L321 I326 | A286-N323 PolarHBondContact O-ND2 3.49Å; E289-N323 PolarHBondContact N-ND2 3.06Å; E289-N323 PolarHBondContact O-ND2 3.05Å; L321-N323 PolarHBondContact O-N 2.68Å; L321-N323 VanDerWaalsContact O-N 3.09Å; N323-I326 HydrophobicContact CB-CD1 3.57Å; N323-I326 HydrophobicContact CB-CG1 4.31Å |
| 324 | G | 86.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 12% | 0.124 | 35% | 0.354 | C | S | . | . | trans | 63 | -149.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y296 L321 I326 | Y296-G324 WeakPolarHBondContact CE1-O 2.96Å; L321-G324 PolarHBondContact O-N 3.41Å; G324-I326 PolarHBondContact O-N 3.32Å | ||
| 325 | N | 86.3 | Confident | 87.9 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | trans | -84.6 | 88.6 | -175.7 | -165.4 | 13.7 | 0 | 0 | 0 | 113.1 | H300 V315 | H300-N325 PolarHBondContact CE1-ND2 2.77Å; H300-N325 PolarHBondContact CE1-OD1 3.46Å; H300-N325 PolarHBondContact NE2-ND2 3.17Å; H300-N325 VanDerWaalsContact NE2-ND2 3.13Å; V315-N325 HydrophobicContact CB-CB 4.1Å; V315-N325 HydrophobicContact CG1-CB 3.86Å; V315-N325 HydrophobicContact CG2-CB 4.36Å | ||
| 326 | I | 85.2 | Confident | 88.1 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | trans | -86.4 | 115.1 | 171.4 | -61.4 | 168.7 | 0 | 0 | 0 | 109.8 | K243 E289 N323 G324 | K243-I326 HydrophobicContact CD-CG2 3.97Å; E289-I326 WeakPolarHBondContact O-CD1 3.21Å; N323-I326 HydrophobicContact CB-CD1 3.57Å; N323-I326 HydrophobicContact CB-CG1 4.31Å; G324-I326 PolarHBondContact O-N 3.32Å | ||
| 327 | S | 83.5 | Confident | 88.5 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 144.5 | 173.9 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 328 | L | 84.6 | Confident | 88.7 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 129.7 | 174.6 | -65.4 | 176.8 | 0 | 0 | 0 | 109.6 | K243 D248 G330 V331 | K243-L328 HydrophobicContact CB-CD2 3.99Å; K243-L328 HydrophobicContact CD-CD2 3.77Å; K243-L328 HydrophobicContact CG-CD2 4.37Å; D248-L328 HydrophobicContact CB-CD2 4.19Å; D248-L328 WeakPolarHBondContact O-CD2 3.14Å; L328-G330 PolarHBondContact O-N 2.92Å; L328-G330 VanDerWaalsContact O-N 3.12Å; L328-V331 HydrophobicContact CB-CB 3.93Å; L328-V331 HydrophobicContact CB-CG2 4.37Å; L328-V331 HydrophobicContact CD1-CB 4.43Å; L328-V331 HydrophobicContact CD1-CG1 4.41Å; L328-V331 PolarHBondContact O-N 3.13Å |
| 329 | P | 83 | Confident | 88.8 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 116.7 | 177.3 | -23.2 | 33.6 | 0 | 0 | 0 | 111.9 | ||
| 330 | G | 81.1 | Confident | 89 | Confident | 91 Ų | 91 | 52.9 Ų | 52.9 | 94% | 0.938 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 12.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L328 | L328-G330 PolarHBondContact O-N 2.92Å; L328-G330 VanDerWaalsContact O-N 3.12Å |
| 331 | V | 85.7 | Confident | 89.1 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 39% | 0.394 | 33% | 0.329 | S | S | . | . | trans | -123 | 130 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | L328 E336 | L328-V331 HydrophobicContact CB-CB 3.93Å; L328-V331 HydrophobicContact CB-CG2 4.37Å; L328-V331 HydrophobicContact CD1-CB 4.43Å; L328-V331 HydrophobicContact CD1-CG1 4.41Å; L328-V331 PolarHBondContact O-N 3.13Å; V331-E336 HydrophobicContact CG1-CG 3.58Å | ||
| 332 | D | 91.3 | Very high | 89.2 | Confident | 90 Ų | 90 | 58.2 Ų | 58.2 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | trans | -98.6 | 112.1 | 173.1 | 179.7 | 4.2 | 0 | 0 | 0 | 110.1 | A334 Q335 E336 | D332-A334 PolarHBondContact O-N 2.79Å; D332-A334 PolarHBondContact OD1-N 3.45Å; D332-Q335 HydrophobicContact CB-CB 4.04Å; D332-Q335 PolarHBondContact O-N 3.4Å; D332-E336 WeakPolarHBondContact O-CG 3.46Å; D332-E336 PolarHBondContact O-N 2.92Å | ||
| 333 | D | 92.8 | Very high | 89.8 | Confident | 14 Ų | 14 | 55 Ų | 55 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -32.8 | -178.5 | -76.8 | -40.3 | 0 | 0 | 0 | 113 | R290 Q297 H300 F337 | R290-D333 IonicContact CZ-OD1 3Å; R290-D333 IonicContact CZ-OD2 2.88Å; R290-D333 IonicContact NH1-OD1 2.82Å; R290-D333 PolarHBondContact NH1-OD1 2.78Å; R290-D333 VanDerWaalsContact NH1-OD1 3.11Å; R290-D333 IonicContact NH1-OD2 3.52Å; R290-D333 PolarHBondContact NH1-OD2 3.46Å; R290-D333 IonicContact NH2-OD1 3.64Å; R290-D333 PolarHBondContact NH2-OD1 2.81Å; R290-D333 IonicContact NH2-OD2 3.71Å; R290-D333 PolarHBondContact NH2-OD2 3.18Å; Q297-D333 WeakPolarHBondContact CA-O 2.81Å; Q297-D333 HydrophobicContact CG-CB 4.45Å; H300-D333 HydrophobicContact CB-CB 4.22Å; D333-F337 WeakPolarHBondContact O-CB 3.02Å; D333-F337 PolarHBondContact O-N 3.39Å |
| 334 | A | 92.3 | Very high | 90.1 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 21% | 0.207 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.3 | -41.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H300 D332 F337 H338 | H300-A334 HydrophobicContact CB-CB 4.49Å; D332-A334 PolarHBondContact O-N 2.79Å; D332-A334 PolarHBondContact OD1-N 3.45Å; A334-F337 WeakPolarHBondContact O-CB 3.08Å; A334-F337 PolarHBondContact O-N 3.21Å; A334-H338 PolarHBondContact O-CD2 3.23Å; A334-H338 PolarHBondContact O-N 2.86Å |
| 335 | Q | 93.5 | Very high | 90.5 | Very high | 130 Ų | 130 | 58.5 Ų | 58.5 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.4 | -43.3 | 175.6 | -173.2 | 178.4 | 5.5 | 0 | 0 | 111.6 | D332 F337 H338 S339 | D332-Q335 HydrophobicContact CB-CB 4.04Å; D332-Q335 PolarHBondContact O-N 3.4Å; Q335-F337 VanDerWaalsContact C-N 3.31Å; Q335-F337 PolarHBondContact O-N 2.89Å; Q335-H338 PolarHBondContact O-N 3.44Å; Q335-S339 PolarHBondContact O-N 3.49Å |
| 336 | E | 92.7 | Very high | 90.7 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 177.8 | -69.8 | -58.6 | 145.2 | 0 | 0 | 112.4 | Q297 V331 D332 S339 T340 | Q297-E336 HydrophobicContact CG-CB 4.16Å; V331-E336 HydrophobicContact CG1-CG 3.58Å; D332-E336 WeakPolarHBondContact O-CG 3.46Å; D332-E336 PolarHBondContact O-N 2.92Å; E336-S339 WeakPolarHBondContact O-CB 3.26Å; E336-S339 PolarHBondContact O-N 2.8Å; E336-T340 WeakPolarHBondContact O-CB 3.31Å; E336-T340 PolarHBondContact O-N 2.96Å; E336-T340 PolarHBondContact O-OG1 2.9Å |
| 337 | F | 94.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.7 | -52.4 | 171.6 | -177.3 | -109.4 | 0 | 0 | 0 | 111.4 | Q297 F298 G301 T302 D333 A334 Q335 S339 T340 I341 L358 | Q297-F337 HydrophobicContact CB-CB 3.92Å; Q297-F337 HydrophobicContact CB-CD2 4.17Å; Q297-F337 WeakPolarHBondContact O-CB 3.43Å; Q297-F337 WeakPolarHBondContact O-CG 3.48Å; F298-F337 HydrophobicContact CB-CD2 4.47Å; F298-F337 HydrophobicContact CB-CE2 4.17Å; F298-F337 AromaticContact CD2-CE2 3.79Å; F298-F337 HydrophobicContact CD2-CE2 3.79Å; F298-F337 AromaticContact CD2-CZ 3.92Å; F298-F337 HydrophobicContact CD2-CZ 3.92Å; F298-F337 HydrophobicContact CG-CE2 4.45Å; G301-F337 WeakPolarHBondContact O-CD1 3.38Å; T302-F337 HydrophobicContact CG2-CE1 4.24Å; T302-F337 HydrophobicContact CG2-CZ 4.1Å; D333-F337 WeakPolarHBondContact O-CB 3.02Å; D333-F337 PolarHBondContact O-N 3.39Å; A334-F337 WeakPolarHBondContact O-CB 3.08Å; A334-F337 PolarHBondContact O-N 3.21Å; Q335-F337 VanDerWaalsContact C-N 3.31Å; Q335-F337 PolarHBondContact O-N 2.89Å; F337-S339 VanDerWaalsContact C-N 3.29Å; F337-S339 PolarHBondContact O-N 2.81Å; F337-T340 WeakPolarHBondContact O-CB 3.05Å; F337-T340 PolarHBondContact O-N 3.31Å; F337-T340 VanDerWaalsContact O-N 3.14Å; F337-I341 HydrophobicContact CD1-CG1 4.37Å; F337-I341 HydrophobicContact CD2-CG1 4.45Å; F337-I341 HydrophobicContact CE1-CG1 4.02Å; F337-I341 HydrophobicContact CE2-CD1 4.07Å; F337-I341 HydrophobicContact CE2-CG1 4.1Å; F337-I341 HydrophobicContact CZ-CD1 4Å; F337-I341 HydrophobicContact CZ-CG1 3.87Å; F337-I341 WeakPolarHBondContact O-CG1 3.11Å; F337-I341 PolarHBondContact O-N 2.84Å; F337-L358 HydrophobicContact CE2-CD2 4.2Å; F337-L358 HydrophobicContact CZ-CD1 4.24Å |
| 338 | H | 94.5 | Very high | 91.2 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 178.8 | -65.7 | -48.1 | 0 | 0 | 0 | 112.5 | G301 A334 Q335 H342 | G301-H338 PolarHBondContact O-CE1 3.36Å; A334-H338 PolarHBondContact O-CD2 3.23Å; A334-H338 PolarHBondContact O-N 2.86Å; Q335-H338 PolarHBondContact O-N 3.44Å; H338-H342 WeakPolarHBondContact O-CB 3.31Å; H338-H342 PolarHBondContact O-N 3.36Å |
| 339 | S | 93.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 172.6 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | Q335 E336 F337 I341 H342 S343 | Q335-S339 PolarHBondContact O-N 3.49Å; E336-S339 WeakPolarHBondContact O-CB 3.26Å; E336-S339 PolarHBondContact O-N 2.8Å; F337-S339 VanDerWaalsContact C-N 3.29Å; F337-S339 PolarHBondContact O-N 2.81Å; S339-I341 PolarHBondContact O-N 2.69Å; S339-H342 WeakPolarHBondContact O-CB 3.46Å; S339-H342 PolarHBondContact O-N 3.07Å; S339-S343 PolarHBondContact O-N 3.05Å; S339-S343 PolarHBondContact O-OG 3.42Å; S339-S343 VanDerWaalsContact O-OG 3.09Å |
| 340 | T | 94.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 179.2 | -59 | 0 | 0 | 0 | 0 | 112 | A238 E336 F337 H342 S343 M344 | A238-T340 HydrophobicContact CB-CG2 3.72Å; E336-T340 WeakPolarHBondContact O-CB 3.31Å; E336-T340 PolarHBondContact O-N 2.96Å; E336-T340 PolarHBondContact O-OG1 2.9Å; F337-T340 WeakPolarHBondContact O-CB 3.05Å; F337-T340 PolarHBondContact O-N 3.31Å; F337-T340 VanDerWaalsContact O-N 3.14Å; T340-H342 VanDerWaalsContact C-N 3.32Å; T340-H342 PolarHBondContact O-N 3.33Å; T340-S343 WeakPolarHBondContact O-CB 3.35Å; T340-S343 PolarHBondContact O-N 3.43Å; T340-M344 HydrophobicContact CG2-CE 4.28Å; T340-M344 WeakPolarHBondContact O-CG 3.2Å; T340-M344 PolarHBondContact O-N 2.8Å |
| 341 | I | 94.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.5 | -61.1 | -60 | 0 | 0 | 0 | 110.9 | F337 S339 M344 R345 I354 L358 | F337-I341 HydrophobicContact CD1-CG1 4.37Å; F337-I341 HydrophobicContact CD2-CG1 4.45Å; F337-I341 HydrophobicContact CE1-CG1 4.02Å; F337-I341 HydrophobicContact CE2-CD1 4.07Å; F337-I341 HydrophobicContact CE2-CG1 4.1Å; F337-I341 HydrophobicContact CZ-CD1 4Å; F337-I341 HydrophobicContact CZ-CG1 3.87Å; F337-I341 WeakPolarHBondContact O-CG1 3.11Å; F337-I341 PolarHBondContact O-N 2.84Å; S339-I341 PolarHBondContact O-N 2.69Å; I341-M344 HydrophobicContact CD1-SD 4.24Å; I341-M344 PolarHBondContact O-N 3.38Å; I341-R345 WeakPolarHBondContact O-CG 3.49Å; I341-R345 PolarHBondContact O-N 3.36Å; I341-R345 VanDerWaalsContact O-N 3.12Å; I341-I354 HydrophobicContact CD1-CG2 3.76Å; I341-L358 HydrophobicContact CD1-CD1 4.35Å |
| 342 | H | 93.7 | Very high | 92.9 | Very high | 109 Ų | 109 | 57.8 Ų | 57.8 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.3 | -174.6 | 65.2 | 0 | 0 | 0 | 112.1 | H338 S339 T340 M344 R345 I346 | H338-H342 WeakPolarHBondContact O-CB 3.31Å; H338-H342 PolarHBondContact O-N 3.36Å; S339-H342 WeakPolarHBondContact O-CB 3.46Å; S339-H342 PolarHBondContact O-N 3.07Å; T340-H342 VanDerWaalsContact C-N 3.32Å; T340-H342 PolarHBondContact O-N 3.33Å; H342-M344 PolarHBondContact O-N 2.88Å; H342-R345 PolarHBondContact O-N 2.87Å; H342-I346 WeakPolarHBondContact O-CG1 3.31Å; H342-I346 PolarHBondContact O-N 3.22Å |
| 343 | S | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 173.8 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | Q231 S339 T340 R345 I346 M347 | Q231-S343 PolarHBondContact OE1-OG 2.65Å; S339-S343 PolarHBondContact O-N 3.05Å; S339-S343 PolarHBondContact O-OG 3.42Å; S339-S343 VanDerWaalsContact O-OG 3.09Å; T340-S343 WeakPolarHBondContact O-CB 3.35Å; T340-S343 PolarHBondContact O-N 3.43Å; S343-R345 VanDerWaalsContact C-N 3.31Å; S343-R345 PolarHBondContact O-N 3.44Å; S343-I346 PolarHBondContact O-N 3.07Å; S343-M347 WeakPolarHBondContact O-CG 2.91Å; S343-M347 PolarHBondContact O-N 2.66Å |
| 344 | M | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 175.1 | -74 | -178.9 | 172.8 | 0 | 0 | 112.2 | I235 F239 T340 I341 H342 M347 N348 F349 I354 L447 | I235-M344 HydrophobicContact CD1-CB 4.47Å; I235-M344 HydrophobicContact CD1-CG 3.93Å; I235-M344 HydrophobicContact CG1-CG 4.08Å; I235-M344 HydrophobicContact CG2-CE 3.84Å; I235-M344 HydrophobicContact CG2-CG 4.24Å; F239-M344 HydrophobicContact CD2-CE 4.35Å; F239-M344 HydrophobicContact CE2-CE 3.33Å; F239-M344 HydrophobicContact CZ-CE 3.75Å; T340-M344 HydrophobicContact CG2-CE 4.28Å; T340-M344 WeakPolarHBondContact O-CG 3.2Å; T340-M344 PolarHBondContact O-N 2.8Å; I341-M344 HydrophobicContact CD1-SD 4.24Å; I341-M344 PolarHBondContact O-N 3.38Å; H342-M344 PolarHBondContact O-N 2.88Å; M344-M347 CarbonylContact O-C 3.59Å; M344-M347 WeakPolarHBondContact O-CB 3.49Å; M344-M347 PolarHBondContact O-N 2.56Å; M344-N348 PolarHBondContact O-N 2.85Å; M344-F349 HydrophobicContact CB-CB 4.17Å; M344-F349 HydrophobicContact CB-CG 4.26Å; M344-F349 WeakPolarHBondContact O-CB 3.47Å; M344-F349 WeakPolarHBondContact O-CD2 3.19Å; M344-F349 PolarHBondContact O-N 3.23Å; M344-I354 HydrophobicContact CB-CD1 3.93Å; M344-I354 HydrophobicContact CB-CG1 4.26Å; M344-I354 HydrophobicContact SD-CG1 4.1Å; M344-I354 HydrophobicContact SD-CG2 4.25Å; M344-L447 HydrophobicContact CE-CD1 4.3Å |
| 345 | R | 93.8 | Very high | 93.1 | Very high | 135 Ų | 135 | 55.5 Ų | 55.5 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.1 | -71 | 175.7 | 176.5 | 146.5 | 1.6 | 112.5 | I341 H342 S343 M347 N348 D351 I354 | I341-R345 WeakPolarHBondContact O-CG 3.49Å; I341-R345 PolarHBondContact O-N 3.36Å; I341-R345 VanDerWaalsContact O-N 3.12Å; H342-R345 PolarHBondContact O-N 2.87Å; S343-R345 VanDerWaalsContact C-N 3.31Å; S343-R345 PolarHBondContact O-N 3.44Å; R345-M347 PolarHBondContact O-N 2.69Å; R345-N348 PolarHBondContact O-N 2.6Å; R345-D351 IonicContact CZ-OD1 3.76Å; R345-D351 IonicContact NE-OD1 3.57Å; R345-D351 PolarHBondContact NE-OD1 3.47Å; R345-D351 IonicContact NH2-OD1 3.55Å; R345-D351 PolarHBondContact NH2-OD1 3.27Å; R345-I354 HydrophobicContact CG-CD1 4.15Å |
| 346 | I | 90.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -33.9 | 173.9 | -65.8 | 168.8 | 0 | 0 | 0 | 111.4 | Q227 Q228 Q231 H342 S343 N348 | Q227-I346 HydrophobicContact CG-CG2 4.07Å; Q228-I346 HydrophobicContact CG-CG2 4.28Å; Q228-I346 PolarHBondContact NE2-O 3.2Å; Q231-I346 HydrophobicContact CB-CG2 4.36Å; Q231-I346 HydrophobicContact CG-CB 4.31Å; Q231-I346 HydrophobicContact CG-CD1 3.88Å; Q231-I346 HydrophobicContact CG-CG2 3.97Å; H342-I346 WeakPolarHBondContact O-CG1 3.31Å; H342-I346 PolarHBondContact O-N 3.22Å; S343-I346 PolarHBondContact O-N 3.07Å; I346-N348 PolarHBondContact O-N 2.85Å; I346-N348 PolarHBondContact O-ND2 3.36Å |
| 347 | M | 90.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 2.8 | 174.3 | -69.4 | -60.7 | -61.7 | 0 | 0 | 114 | Q228 I235 S343 M344 R345 F349 I451 S454 L455 | Q228-M347 VanDerWaalsContact CA-SD 3.59Å; Q228-M347 HydrophobicContact CB-CE 4.44Å; Q228-M347 HydrophobicContact CB-SD 3.52Å; Q228-M347 VanDerWaalsContact CB-SD 3.52Å; Q228-M347 HydrophobicContact CG-SD 3.84Å; I235-M347 HydrophobicContact CD1-CB 4.18Å; I235-M347 HydrophobicContact CD1-CG 3.6Å; S343-M347 WeakPolarHBondContact O-CG 2.91Å; S343-M347 PolarHBondContact O-N 2.66Å; M344-M347 CarbonylContact O-C 3.59Å; M344-M347 WeakPolarHBondContact O-CB 3.49Å; M344-M347 PolarHBondContact O-N 2.56Å; R345-M347 PolarHBondContact O-N 2.69Å; M347-F349 HydrophobicContact CB-CD2 3.76Å; M347-F349 HydrophobicContact CB-CE2 3.87Å; M347-I451 HydrophobicContact CE-CB 4.17Å; M347-I451 HydrophobicContact CE-CG1 4.2Å; M347-I451 HydrophobicContact CE-CG2 3.75Å; M347-S454 WeakPolarHBondContact O-CB 3.22Å; M347-S454 PolarHBondContact O-OG 3.44Å; M347-L455 HydrophobicContact CE-CD2 4.23Å; M347-L455 HydrophobicContact CE-CG 4.21Å |
| 348 | N | 90.2 | Very high | 93.2 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 40 | -177.6 | -53.5 | -77.7 | 0 | 0 | 0 | 114.1 | Q228 M344 R345 I346 R450 R457 | Q228-N348 PolarHBondContact NE2-ND2 3.15Å; M344-N348 PolarHBondContact O-N 2.85Å; R345-N348 PolarHBondContact O-N 2.6Å; I346-N348 PolarHBondContact O-N 2.85Å; I346-N348 PolarHBondContact O-ND2 3.36Å; N348-R450 PolarHBondContact O-NH2 2.87Å; N348-R457 PolarHBondContact ND2-NH2 2.94Å |
| 349 | F | 92.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | trans | -74.4 | 131.6 | 162.7 | -76.1 | -122.8 | 0 | 0 | 0 | 108.3 | M344 M347 I354 I357 W446 R450 I451 | M344-F349 HydrophobicContact CB-CB 4.17Å; M344-F349 HydrophobicContact CB-CG 4.26Å; M344-F349 WeakPolarHBondContact O-CB 3.47Å; M344-F349 WeakPolarHBondContact O-CD2 3.19Å; M344-F349 PolarHBondContact O-N 3.23Å; M347-F349 HydrophobicContact CB-CD2 3.76Å; M347-F349 HydrophobicContact CB-CE2 3.87Å; F349-I354 HydrophobicContact CB-CD1 4.13Å; F349-I354 HydrophobicContact CB-CG1 3.83Å; F349-I357 HydrophobicContact CD1-CD1 3.97Å; F349-I357 HydrophobicContact CE1-CD1 3.94Å; F349-W446 HydrophobicContact CE1-CH2 4.5Å; F349-W446 HydrophobicContact CE1-CZ3 4Å; F349-R450 HydrophobicContact CD1-CG 4.39Å; F349-R450 HydrophobicContact CD2-CG 4.49Å; F349-R450 HydrophobicContact CE1-CB 4.26Å; F349-R450 HydrophobicContact CE1-CG 3.84Å; F349-R450 HydrophobicContact CE2-CG 3.94Å; F349-R450 HydrophobicContact CZ-CB 3.87Å; F349-R450 HydrophobicContact CZ-CG 3.58Å; F349-I451 HydrophobicContact CE2-CG1 4.08Å; F349-I451 HydrophobicContact CZ-CG1 4Å | ||
| 350 | L | 92.3 | Very high | 93.3 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 58% | 0.576 | 21% | 0.207 | S | C | * | . | trans | -70.2 | 147.3 | 174.6 | -59.7 | 172.4 | 0 | 0 | 0 | 109.5 | D352 E353 I354 | L350-D352 PolarHBondContact O-N 3.45Å; L350-D352 VanDerWaalsContact O-N 3.16Å; L350-E353 HydrophobicContact CB-CB 4.39Å; L350-E353 HydrophobicContact CB-CG 4.07Å; L350-E353 PolarHBondContact N-OE2 2.96Å; L350-E353 WeakPolarHBondContact O-CA 3.41Å; L350-E353 WeakPolarHBondContact O-CB 2.93Å; L350-E353 PolarHBondContact O-N 3.29Å; L350-I354 WeakPolarHBondContact O-CG1 3.13Å; L350-I354 PolarHBondContact O-N 3.41Å | ||
| 351 | D | 92.4 | Very high | 93.3 | Very high | 100 Ų | 100 | 42 Ų | 42 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.3 | -30 | 178.8 | -72.4 | -49 | 0 | 0 | 0 | 111.7 | R345 I354 S355 | R345-D351 IonicContact CZ-OD1 3.76Å; R345-D351 IonicContact NE-OD1 3.57Å; R345-D351 PolarHBondContact NE-OD1 3.47Å; R345-D351 IonicContact NH2-OD1 3.55Å; R345-D351 PolarHBondContact NH2-OD1 3.27Å; D351-I354 PolarHBondContact O-N 2.92Å; D351-S355 WeakPolarHBondContact O-CB 3.32Å; D351-S355 PolarHBondContact O-N 3.34Å |
| 352 | D | 91.7 | Very high | 93.4 | Very high | 134 Ų | 134 | 41.2 Ų | 41.2 | 72% | 0.717 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -66.2 | -39.9 | 172.3 | -68.2 | -23.2 | 0 | 0 | 0 | 112.8 | L350 S355 A356 | L350-D352 PolarHBondContact O-N 3.45Å; L350-D352 VanDerWaalsContact O-N 3.16Å; D352-S355 PolarHBondContact O-N 2.93Å; D352-A356 WeakPolarHBondContact O-CB 2.85Å; D352-A356 PolarHBondContact O-N 3.42Å |
| 353 | E | 93 | Very high | 93.4 | Very high | 37 Ų | 37 | 36 Ų | 36 | 17% | 0.173 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 174.8 | -68.9 | 177.7 | 130.4 | 0 | 0 | 110.2 | L350 S355 A356 I357 W446 R450 | L350-E353 HydrophobicContact CB-CB 4.39Å; L350-E353 HydrophobicContact CB-CG 4.07Å; L350-E353 PolarHBondContact N-OE2 2.96Å; L350-E353 WeakPolarHBondContact O-CA 3.41Å; L350-E353 WeakPolarHBondContact O-CB 2.93Å; L350-E353 PolarHBondContact O-N 3.29Å; E353-S355 PolarHBondContact O-N 3.49Å; E353-A356 PolarHBondContact O-N 2.87Å; E353-I357 VanDerWaalsContact O-CG1 3.26Å; E353-I357 WeakPolarHBondContact O-CG1 3.36Å; E353-I357 PolarHBondContact O-N 3.36Å; E353-W446 HydrophobicContact CB-CH2 4.23Å; E353-W446 HydrophobicContact CG-CH2 4.22Å; E353-R450 IonicContact OE1-CZ 3.47Å; E353-R450 IonicContact OE1-NE 2.88Å; E353-R450 PolarHBondContact OE1-NE 3.01Å; E353-R450 IonicContact OE1-NH2 3.73Å; E353-R450 IonicContact OE2-CZ 3.52Å; E353-R450 IonicContact OE2-NE 3.35Å; E353-R450 PolarHBondContact OE2-NE 2.98Å; E353-R450 IonicContact OE2-NH2 2.72Å; E353-R450 PolarHBondContact OE2-NH2 3.13Å |
| 354 | I | 94.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 176.9 | -63 | 173.7 | 0 | 0 | 0 | 110 | I341 M344 R345 F349 L350 D351 A356 I357 L358 | I341-I354 HydrophobicContact CD1-CG2 3.76Å; M344-I354 HydrophobicContact CB-CD1 3.93Å; M344-I354 HydrophobicContact CB-CG1 4.26Å; M344-I354 HydrophobicContact SD-CG1 4.1Å; M344-I354 HydrophobicContact SD-CG2 4.25Å; R345-I354 HydrophobicContact CG-CD1 4.15Å; F349-I354 HydrophobicContact CB-CD1 4.13Å; F349-I354 HydrophobicContact CB-CG1 3.83Å; L350-I354 WeakPolarHBondContact O-CG1 3.13Å; L350-I354 PolarHBondContact O-N 3.41Å; D351-I354 PolarHBondContact O-N 2.92Å; I354-A356 VanDerWaalsContact C-N 3.33Å; I354-A356 PolarHBondContact O-N 3.36Å; I354-I357 PolarHBondContact O-N 3.3Å; I354-L358 HydrophobicContact CG2-CD1 4.12Å; I354-L358 WeakPolarHBondContact O-CG 3.23Å; I354-L358 PolarHBondContact O-N 3.36Å |
| 355 | S | 93.5 | Very high | 93.4 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 25% | 0.245 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | D351 D352 E353 L358 R359 | D351-S355 WeakPolarHBondContact O-CB 3.32Å; D351-S355 PolarHBondContact O-N 3.34Å; D352-S355 PolarHBondContact O-N 2.93Å; E353-S355 PolarHBondContact O-N 3.49Å; S355-L358 PolarHBondContact O-N 3.34Å; S355-R359 WeakPolarHBondContact O-CG 2.92Å; S355-R359 PolarHBondContact O-N 2.84Å |
| 356 | A | 93.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | D352 E353 I354 L358 R359 V360 F621 | D352-A356 WeakPolarHBondContact O-CB 2.85Å; D352-A356 PolarHBondContact O-N 3.42Å; E353-A356 PolarHBondContact O-N 2.87Å; I354-A356 VanDerWaalsContact C-N 3.33Å; I354-A356 PolarHBondContact O-N 3.36Å; A356-L358 VanDerWaalsContact C-N 3.34Å; A356-L358 PolarHBondContact O-N 2.96Å; A356-R359 PolarHBondContact O-N 3.49Å; A356-V360 PolarHBondContact O-N 2.84Å; A356-V360 VanDerWaalsContact O-N 3.12Å; A356-F621 HydrophobicContact CB-CB 3.72Å; A356-F621 HydrophobicContact CB-CD1 3.72Å; A356-F621 HydrophobicContact CB-CD2 4.1Å; A356-F621 HydrophobicContact CB-CE1 4.35Å; A356-F621 HydrophobicContact CB-CG 3.57Å |
| 357 | I | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 173.8 | -65.9 | 163.7 | 0 | 0 | 0 | 110.1 | F239 F349 E353 I354 R359 V360 V361 M443 W446 F621 | F239-I357 HydrophobicContact CE1-CG2 3.58Å; F239-I357 HydrophobicContact CZ-CG2 3.56Å; F349-I357 HydrophobicContact CD1-CD1 3.97Å; F349-I357 HydrophobicContact CE1-CD1 3.94Å; E353-I357 VanDerWaalsContact O-CG1 3.26Å; E353-I357 WeakPolarHBondContact O-CG1 3.36Å; E353-I357 PolarHBondContact O-N 3.36Å; I354-I357 PolarHBondContact O-N 3.3Å; I357-R359 VanDerWaalsContact C-N 3.33Å; I357-R359 PolarHBondContact O-N 2.85Å; I357-V360 PolarHBondContact O-N 2.91Å; I357-V361 WeakPolarHBondContact O-CG2 3.21Å; I357-V361 PolarHBondContact O-N 2.94Å; I357-M443 HydrophobicContact CG2-CG 4.37Å; I357-M443 HydrophobicContact CG2-SD 3.82Å; I357-W446 HydrophobicContact CD1-CZ3 3.83Å; I357-W446 HydrophobicContact CG1-CZ3 4.16Å; I357-F621 HydrophobicContact CG1-CE1 4.47Å; I357-F621 HydrophobicContact CG1-CE2 4.33Å; I357-F621 HydrophobicContact CG1-CZ 3.8Å |
| 358 | L | 95.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -33.1 | 179.9 | -66.1 | 177.6 | 0 | 0 | 0 | 112.6 | F298 F310 F337 I341 I354 S355 A356 V361 S362 | F298-L358 HydrophobicContact CD2-CD1 4.42Å; F298-L358 HydrophobicContact CD2-CD2 3.79Å; F298-L358 HydrophobicContact CE2-CB 3.9Å; F298-L358 HydrophobicContact CE2-CD1 3.95Å; F298-L358 HydrophobicContact CE2-CD2 3.84Å; F298-L358 HydrophobicContact CE2-CG 4.1Å; F298-L358 HydrophobicContact CG-CD2 4.24Å; F298-L358 HydrophobicContact CZ-CB 3.8Å; F298-L358 HydrophobicContact CZ-CD2 4.29Å; F298-L358 HydrophobicContact CZ-CG 4.46Å; F310-L358 HydrophobicContact CD1-CB 4.32Å; F310-L358 HydrophobicContact CE1-CB 3.8Å; F310-L358 HydrophobicContact CE2-CD1 4.34Å; F310-L358 HydrophobicContact CZ-CB 3.91Å; F310-L358 HydrophobicContact CZ-CD1 4.14Å; F337-L358 HydrophobicContact CE2-CD2 4.2Å; F337-L358 HydrophobicContact CZ-CD1 4.24Å; I341-L358 HydrophobicContact CD1-CD1 4.35Å; I354-L358 HydrophobicContact CG2-CD1 4.12Å; I354-L358 WeakPolarHBondContact O-CG 3.23Å; I354-L358 PolarHBondContact O-N 3.36Å; S355-L358 PolarHBondContact O-N 3.34Å; A356-L358 VanDerWaalsContact C-N 3.34Å; A356-L358 PolarHBondContact O-N 2.96Å; L358-V361 PolarHBondContact O-N 2.86Å; L358-S362 WeakPolarHBondContact O-CB 3.19Å; L358-S362 PolarHBondContact O-N 2.87Å |
| 359 | R | 94.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 26.6 Ų | 26.6 | 27% | 0.268 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 170.6 | -73.3 | -163.1 | -60.6 | -100.3 | 5.3 | 111.9 | F310 S355 A356 I357 S362 A363 L395 D619 | F310-R359 HydrophobicContact CD1-CG 3.94Å; F310-R359 HydrophobicContact CE1-CG 3.86Å; S355-R359 WeakPolarHBondContact O-CG 2.92Å; S355-R359 PolarHBondContact O-N 2.84Å; A356-R359 PolarHBondContact O-N 3.49Å; I357-R359 VanDerWaalsContact C-N 3.33Å; I357-R359 PolarHBondContact O-N 2.85Å; R359-S362 WeakPolarHBondContact O-CB 3.36Å; R359-S362 PolarHBondContact O-N 3.22Å; R359-A363 PolarHBondContact O-N 2.86Å; R359-L395 HydrophobicContact CB-CD2 4.48Å; R359-L395 HydrophobicContact CG-CD2 4.31Å; R359-D619 IonicContact CZ-OD2 2.71Å; R359-D619 IonicContact NE-OD2 2.86Å; R359-D619 PolarHBondContact NE-OD2 3.45Å; R359-D619 IonicContact NH2-OD1 3.01Å; R359-D619 IonicContact NH2-OD2 3.02Å; R359-D619 PolarHBondContact NH2-OD2 2.91Å |
| 360 | V | 94.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | A356 I357 S362 A363 V364 L396 C439 M443 F621 I625 | A356-V360 PolarHBondContact O-N 2.84Å; A356-V360 VanDerWaalsContact O-N 3.12Å; I357-V360 PolarHBondContact O-N 2.91Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.41Å; V360-A363 PolarHBondContact O-N 3.31Å; V360-V364 WeakPolarHBondContact O-CG2 3.39Å; V360-V364 PolarHBondContact O-N 3.36Å; V360-L396 HydrophobicContact CG2-CD2 4.2Å; V360-C439 HydrophobicContact CG1-CB 4.44Å; V360-M443 HydrophobicContact CB-SD 3.96Å; V360-M443 HydrophobicContact CG1-CB 4.21Å; V360-M443 HydrophobicContact CG1-CG 4.36Å; V360-M443 HydrophobicContact CG1-SD 3.83Å; V360-F621 HydrophobicContact CG2-CD1 4.01Å; V360-F621 HydrophobicContact CG2-CE1 3.81Å; V360-I625 HydrophobicContact CG2-CD1 4.47Å |
| 361 | V | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | F239 F295 F298 I357 L358 V364 L365 M443 | F239-V361 HydrophobicContact CE1-CG2 3.88Å; F295-V361 HydrophobicContact CD1-CG1 3.65Å; F295-V361 HydrophobicContact CE1-CG1 3.74Å; F298-V361 HydrophobicContact CD1-CG1 3.94Å; F298-V361 HydrophobicContact CE1-CG1 4.37Å; I357-V361 WeakPolarHBondContact O-CG2 3.21Å; I357-V361 PolarHBondContact O-N 2.94Å; L358-V361 PolarHBondContact O-N 2.86Å; V361-V364 PolarHBondContact O-N 2.87Å; V361-L365 PolarHBondContact O-N 3.24Å; V361-M443 HydrophobicContact CG2-CE 3.87Å; V361-M443 HydrophobicContact CG2-SD 3.8Å |
| 362 | S | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.9 | -175 | 0 | 0 | 0 | 0 | 112 | F310 L358 R359 V360 V364 L365 H366 L395 | F310-S362 PolarHBondContact O-OG 3.38Å; L358-S362 WeakPolarHBondContact O-CB 3.19Å; L358-S362 PolarHBondContact O-N 2.87Å; R359-S362 WeakPolarHBondContact O-CB 3.36Å; R359-S362 PolarHBondContact O-N 3.22Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.41Å; S362-V364 VanDerWaalsContact C-N 3.33Å; S362-V364 PolarHBondContact O-N 2.87Å; S362-L365 WeakPolarHBondContact O-CB 3.22Å; S362-L365 PolarHBondContact O-N 2.93Å; S362-H366 PolarHBondContact O-CD2 2.88Å; S362-H366 VanDerWaalsContact O-CD2 3.22Å; S362-H366 PolarHBondContact O-N 3.49Å; S362-L395 WeakPolarHBondContact OG-CD1 3.15Å |
| 363 | A | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R359 V360 L365 H366 F367 L395 L396 | R359-A363 PolarHBondContact O-N 2.86Å; V360-A363 PolarHBondContact O-N 3.31Å; A363-L365 VanDerWaalsContact C-N 3.33Å; A363-L365 PolarHBondContact O-N 2.83Å; A363-H366 PolarHBondContact O-N 3.29Å; A363-F367 HydrophobicContact CB-CE2 4.5Å; A363-F367 WeakPolarHBondContact O-CD2 3.1Å; A363-F367 PolarHBondContact O-N 2.8Å; A363-L395 HydrophobicContact CB-CB 4.3Å; A363-L395 HydrophobicContact CB-CD1 4.38Å; A363-L396 HydrophobicContact CB-CD1 3.95Å; A363-L396 HydrophobicContact CB-CD2 3.68Å; A363-L396 HydrophobicContact CB-CG 3.7Å |
| 364 | V | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | F295 F320 V360 V361 S362 C439 | F295-V364 HydrophobicContact CE1-CB 4.45Å; F295-V364 HydrophobicContact CE1-CG1 4.11Å; F295-V364 HydrophobicContact CZ-CG1 3.92Å; F320-V364 VanDerWaalsContact CD2-O 3.22Å; F320-V364 WeakPolarHBondContact CD2-O 3.47Å; F320-V364 WeakPolarHBondContact CE2-O 2.95Å; V360-V364 WeakPolarHBondContact O-CG2 3.39Å; V360-V364 PolarHBondContact O-N 3.36Å; V361-V364 PolarHBondContact O-N 2.87Å; S362-V364 VanDerWaalsContact C-N 3.33Å; S362-V364 PolarHBondContact O-N 2.87Å; V364-C439 HydrophobicContact CG2-CB 4.07Å |
| 365 | L | 93.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.4 | -72.3 | 172.2 | 0 | 0 | 0 | 112.2 | F295 L299 Y318 L321 V361 S362 A363 G368 | F295-L365 HydrophobicContact CB-CD2 4.41Å; F295-L365 HydrophobicContact CD1-CD1 3.99Å; F295-L365 HydrophobicContact CD1-CD2 3.59Å; F295-L365 HydrophobicContact CD1-CG 3.66Å; F295-L365 HydrophobicContact CE1-CD2 4.04Å; F295-L365 HydrophobicContact CE1-CG 3.96Å; F295-L365 HydrophobicContact CG-CD2 4.12Å; L299-L365 HydrophobicContact CD1-CD1 4.38Å; L299-L365 HydrophobicContact CD2-CD1 4.31Å; L299-L365 HydrophobicContact CG-CD1 4.44Å; Y318-L365 HydrophobicContact CD1-CB 3.67Å; Y318-L365 HydrophobicContact CD1-CD2 4.48Å; Y318-L365 HydrophobicContact CE1-CB 3.6Å; Y318-L365 HydrophobicContact CE1-CD1 4.42Å; Y318-L365 HydrophobicContact CE2-CD1 4.36Å; Y318-L365 HydrophobicContact CG-CB 4.3Å; Y318-L365 HydrophobicContact CG-CD2 4.28Å; L321-L365 HydrophobicContact CD1-CD2 4.01Å; L321-L365 HydrophobicContact CD2-CD2 4.11Å; L321-L365 HydrophobicContact CG-CD2 4.03Å; V361-L365 PolarHBondContact O-N 3.24Å; S362-L365 WeakPolarHBondContact O-CB 3.22Å; S362-L365 PolarHBondContact O-N 2.93Å; A363-L365 VanDerWaalsContact C-N 3.33Å; A363-L365 PolarHBondContact O-N 2.83Å; L365-G368 PolarHBondContact O-N 2.62Å |
| 366 | H | 94 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.9 | -30.9 | 179.5 | -76.2 | -62.6 | 0 | 0 | 0 | 113.7 | L311 S362 A363 G368 N369 V388 I392 | L311-H366 PolarHBondContact O-CE1 2.81Å; L311-H366 PolarHBondContact O-NE2 3.16Å; S362-H366 PolarHBondContact O-CD2 2.88Å; S362-H366 VanDerWaalsContact O-CD2 3.22Å; S362-H366 PolarHBondContact O-N 3.49Å; A363-H366 PolarHBondContact O-N 3.29Å; H366-G368 PolarHBondContact O-N 2.87Å; H366-N369 PolarHBondContact O-N 2.85Å; H366-V388 HydrophobicContact CB-CG1 4.45Å; H366-V388 WeakPolarHBondContact O-CG1 3.49Å; H366-I392 HydrophobicContact CB-CD1 4.26Å; H366-I392 HydrophobicContact CB-CG1 3.68Å |
| 367 | F | 93 | Very high | 92 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.3 | -37 | 172.9 | -85.9 | -62.1 | 0 | 0 | 0 | 111.7 | F320 A363 N369 M370 I392 L396 V432 I435 | F320-F367 HydrophobicContact CE2-CB 3.96Å; F320-F367 HydrophobicContact CZ-CB 4.46Å; A363-F367 HydrophobicContact CB-CE2 4.5Å; A363-F367 WeakPolarHBondContact O-CD2 3.1Å; A363-F367 PolarHBondContact O-N 2.8Å; F367-N369 PolarHBondContact O-N 2.67Å; F367-M370 HydrophobicContact CD1-SD 4.06Å; F367-M370 WeakPolarHBondContact O-CB 3.36Å; F367-M370 PolarHBondContact O-N 2.61Å; F367-I392 HydrophobicContact CD1-CD1 3.75Å; F367-I392 HydrophobicContact CD1-CG2 4.33Å; F367-I392 HydrophobicContact CE1-CD1 4.15Å; F367-I392 HydrophobicContact CE1-CG2 3.74Å; F367-I392 HydrophobicContact CE2-CG2 4.02Å; F367-I392 HydrophobicContact CG-CD1 4.13Å; F367-I392 HydrophobicContact CZ-CG2 3.56Å; F367-L396 HydrophobicContact CE2-CD1 3.87Å; F367-L396 HydrophobicContact CZ-CD1 3.91Å; F367-V432 HydrophobicContact CB-CG1 3.9Å; F367-V432 HydrophobicContact CD1-CG1 3.89Å; F367-V432 HydrophobicContact CG-CG1 4.32Å; F367-V432 WeakPolarHBondContact O-CG1 3.15Å; F367-I435 HydrophobicContact CE1-CG2 4.11Å; F367-I435 HydrophobicContact CE2-CG2 4.2Å; F367-I435 HydrophobicContact CZ-CG2 3.76Å |
| 368 | G | 90 | Very high | 91.5 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R319 F320 L365 H366 M370 | R319-G368 WeakPolarHBondContact CB-O 3.04Å; R319-G368 WeakPolarHBondContact CD-O 2.84Å; F320-G368 VanDerWaalsContact CE2-CA 3.44Å; L365-G368 PolarHBondContact O-N 2.62Å; H366-G368 PolarHBondContact O-N 2.87Å; G368-M370 VanDerWaalsContact C-N 3.3Å |
| 369 | N | 92.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 2.1 | -179.2 | -68.5 | -9.5 | 0 | 0 | 0 | 113.1 | Q317 Y318 R319 H366 F367 E371 V388 | Q317-N369 PolarHBondContact O-ND2 2.89Å; Q317-N369 PolarHBondContact O-OD1 3.19Å; Y318-N369 WeakPolarHBondContact CA-OD1 3.23Å; R319-N369 PolarHBondContact N-OD1 3.18Å; H366-N369 PolarHBondContact O-N 2.85Å; F367-N369 PolarHBondContact O-N 2.67Å; N369-E371 PolarHBondContact O-N 2.84Å; N369-V388 HydrophobicContact CB-CG1 3.98Å; N369-V388 HydrophobicContact CB-CG2 4.27Å |
| 370 | M | 91.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | trans | -71.4 | 114.9 | 172.5 | -66.6 | -170.2 | 61 | 0 | 0 | 109.8 | F367 G368 F372 L383 V388 V389 I392 L407 V432 | F367-M370 HydrophobicContact CD1-SD 4.06Å; F367-M370 WeakPolarHBondContact O-CB 3.36Å; F367-M370 PolarHBondContact O-N 2.61Å; G368-M370 VanDerWaalsContact C-N 3.3Å; M370-F372 HydrophobicContact CB-CE2 4.16Å; M370-F372 HydrophobicContact CB-CZ 4.44Å; M370-F372 HydrophobicContact CE-CE1 4.25Å; M370-F372 HydrophobicContact CE-CE2 4.46Å; M370-F372 HydrophobicContact CE-CZ 3.7Å; M370-L383 HydrophobicContact CE-CD1 4.12Å; M370-V388 HydrophobicContact CG-CG1 3.88Å; M370-V389 HydrophobicContact CE-CG2 3.34Å; M370-V389 HydrophobicContact SD-CG2 4.11Å; M370-I392 HydrophobicContact CG-CD1 3.85Å; M370-I392 HydrophobicContact SD-CD1 3.63Å; M370-L407 HydrophobicContact CE-CD1 3.53Å; M370-L407 HydrophobicContact SD-CD1 4.15Å; M370-V432 HydrophobicContact CE-CG2 4.21Å; M370-V432 HydrophobicContact SD-CG1 4.28Å; M370-V432 HydrophobicContact SD-CG2 3.93Å | ||
| 371 | E | 90.3 | Very high | 90.4 | Very high | 130 Ų | 130 | 50.3 Ų | 50.3 | 61% | 0.607 | 24% | 0.242 | S | C | * | . | trans | -101.1 | 129.3 | 177.6 | -66.2 | -172.6 | 172.8 | 0 | 0 | 110.4 | N369 P384 | N369-E371 PolarHBondContact O-N 2.84Å; E371-P384 WeakPolarHBondContact O-CD 3.12Å | ||
| 372 | F | 91.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | trans | -113.7 | 133.2 | 174.8 | -60.3 | -81.6 | 0 | 0 | 0 | 109.8 | M370 A381 I382 L383 L408 K425 A428 E429 V432 | M370-F372 HydrophobicContact CB-CE2 4.16Å; M370-F372 HydrophobicContact CB-CZ 4.44Å; M370-F372 HydrophobicContact CE-CE1 4.25Å; M370-F372 HydrophobicContact CE-CE2 4.46Å; M370-F372 HydrophobicContact CE-CZ 3.7Å; F372-A381 HydrophobicContact CB-CB 4.38Å; F372-A381 HydrophobicContact CD1-CB 4.28Å; F372-I382 WeakPolarHBondContact CA-O 3.24Å; F372-L383 HydrophobicContact CD1-CD1 4.35Å; F372-L383 HydrophobicContact CE1-CD1 4.14Å; F372-L408 HydrophobicContact CD1-CD2 3.72Å; F372-L408 HydrophobicContact CE1-CD2 3.64Å; F372-K425 HydrophobicContact CB-CG 4Å; F372-K425 VanDerWaalsContact O-CD 3.32Å; F372-K425 WeakPolarHBondContact O-CD 3.03Å; F372-K425 WeakPolarHBondContact O-CE 3.47Å; F372-A428 HydrophobicContact CD1-CB 3.9Å; F372-A428 HydrophobicContact CD2-CB 4.1Å; F372-A428 HydrophobicContact CE1-CB 3.88Å; F372-A428 HydrophobicContact CE2-CB 4.06Å; F372-A428 HydrophobicContact CG-CB 3.99Å; F372-A428 HydrophobicContact CZ-CB 3.92Å; F372-E429 HydrophobicContact CD2-CG 3.66Å; F372-E429 HydrophobicContact CE2-CG 4.39Å; F372-V432 HydrophobicContact CE2-CB 4.48Å; F372-V432 HydrophobicContact CE2-CG2 3.72Å; F372-V432 HydrophobicContact CZ-CG2 3.72Å | ||
| 373 | I | 90.6 | Very high | 89.9 | Confident | 98 Ų | 98 | 55.3 Ų | 55.3 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.4 | 174.8 | -58.3 | -179.8 | 0 | 0 | 0 | 108.3 | I382 P384 | I373-I382 PolarHBondContact N-O 3.46Å; I373-I382 PolarHBondContact O-N 3.1Å; I373-P384 HydrophobicContact CD1-CB 3.78Å; I373-P384 HydrophobicContact CD1-CG 3.81Å; I373-P384 HydrophobicContact CG1-CB 4.43Å; I373-P384 HydrophobicContact CG1-CG 4.02Å |
| 374 | Q | 89.4 | Confident | 89.5 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 45% | 0.453 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.4 | 171.8 | -175.5 | 172.6 | 9 | 0 | 0 | 109.6 | K376 D379 K425 | Q374-K376 PolarHBondContact O-N 2.81Å; Q374-D379 PolarHBondContact NE2-OD1 3.2Å; Q374-K425 HydrophobicContact CB-CB 4.28Å |
| 375 | E | 87.6 | Confident | 89.1 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | trans | -71.2 | 116.4 | 173.8 | -170.5 | 179.3 | -159.4 | 0 | 0 | 110.1 | K377 S378 D379 Q380 I382 | E375-K377 PolarHBondContact O-N 3.39Å; E375-S378 WeakPolarHBondContact CB-OG 3.48Å; E375-S378 PolarHBondContact O-N 3.1Å; E375-S378 VanDerWaalsContact O-N 3.14Å; E375-S378 PolarHBondContact OE2-OG 3.5Å; E375-D379 WeakPolarHBondContact O-CA 3.47Å; E375-D379 PolarHBondContact O-N 3.26Å; E375-Q380 PolarHBondContact N-O 2.71Å; E375-I382 HydrophobicContact CB-CD1 3.59Å; E375-I382 HydrophobicContact CB-CG1 4.12Å; E375-I382 HydrophobicContact CG-CD1 3.76Å | ||
| 376 | K | 84.3 | Confident | 88.8 | Confident | 205 Ų | 205 | 66 Ų | 66 | 89% | 0.891 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -19.4 | -175.9 | -65.3 | -175 | 178.8 | -177.9 | 0 | 115.4 | Q374 | Q374-K376 PolarHBondContact O-N 2.81Š|
| 377 | K | 83.8 | Confident | 88.7 | Confident | 199 Ų | 199 | 68.7 Ų | 68.7 | 87% | 0.865 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -27.7 | -177.2 | -69.4 | -175 | 179.6 | 179.5 | 0 | 113.8 | E375 | E375-K377 PolarHBondContact O-N 3.39Š|
| 378 | S | 84.5 | Confident | 88.6 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -10.6 | -168 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | E375 Q380 | E375-S378 WeakPolarHBondContact CB-OG 3.48Å; E375-S378 PolarHBondContact O-N 3.1Å; E375-S378 VanDerWaalsContact O-N 3.14Å; E375-S378 PolarHBondContact OE2-OG 3.5Å; S378-Q380 PolarHBondContact O-N 2.72Å; S378-Q380 VanDerWaalsContact O-N 3.09Å; S378-Q380 WeakPolarHBondContact OG-CB 3.14Å; S378-Q380 WeakPolarHBondContact OG-CG 3.26Å; S378-Q380 PolarHBondContact OG-N 2.73Å |
| 379 | D | 84.5 | Confident | 88.7 | Confident | 95 Ų | 95 | 69.4 Ų | 69.4 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | trans | 56.2 | 15.1 | -170.1 | -65.9 | -38.1 | 0 | 0 | 0 | 114.4 | Q374 E375 | Q374-D379 PolarHBondContact NE2-OD1 3.2Å; E375-D379 WeakPolarHBondContact O-CA 3.47Å; E375-D379 PolarHBondContact O-N 3.26Å | ||
| 380 | Q | 88.3 | Confident | 88.8 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 27% | 0.271 | 36% | 0.361 | S | S | . | . | trans | -81.5 | 149.5 | 177 | -60.1 | 176.5 | 15.6 | 0 | 0 | 110.8 | E375 S378 A422 | E375-Q380 PolarHBondContact N-O 2.71Å; S378-Q380 PolarHBondContact O-N 2.72Å; S378-Q380 VanDerWaalsContact O-N 3.09Å; S378-Q380 WeakPolarHBondContact OG-CB 3.14Å; S378-Q380 WeakPolarHBondContact OG-CG 3.26Å; S378-Q380 PolarHBondContact OG-N 2.73Å; Q380-A422 HydrophobicContact CB-CB 4.38Å; Q380-A422 HydrophobicContact CG-CB 3.68Å | ||
| 381 | A | 90.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F372 L408 Q423 A428 | F372-A381 HydrophobicContact CB-CB 4.38Å; F372-A381 HydrophobicContact CD1-CB 4.28Å; A381-L408 HydrophobicContact CB-CD2 3.75Å; A381-Q423 WeakPolarHBondContact CB-O 3.22Å; A381-Q423 PolarHBondContact N-O 2.84Å; A381-A428 HydrophobicContact CB-CB 3.8Å |
| 382 | I | 90.1 | Very high | 89 | Confident | 73 Ų | 73 | 68.7 Ų | 68.7 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.4 | 166.9 | -61.2 | 179 | 0 | 0 | 0 | 108 | F372 I373 E375 P384 | F372-I382 WeakPolarHBondContact CA-O 3.24Å; I373-I382 PolarHBondContact N-O 3.46Å; I373-I382 PolarHBondContact O-N 3.1Å; E375-I382 HydrophobicContact CB-CD1 3.59Å; E375-I382 HydrophobicContact CB-CG1 4.12Å; E375-I382 HydrophobicContact CG-CD1 3.76Å; I382-P384 WeakPolarHBondContact O-CD 2.98Å |
| 383 | L | 88.8 | Confident | 89.1 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | trans | -88.9 | 109.1 | 169.4 | -172.7 | 77.2 | 0 | 0 | 0 | 108.5 | M370 F372 D385 D386 V389 L408 | M370-L383 HydrophobicContact CE-CD1 4.12Å; F372-L383 HydrophobicContact CD1-CD1 4.35Å; F372-L383 HydrophobicContact CE1-CD1 4.14Å; L383-D385 WeakPolarHBondContact CG-O 3.09Å; L383-D386 HydrophobicContact CD2-CB 4.29Å; L383-V389 HydrophobicContact CD1-CG2 4.22Å; L383-V389 HydrophobicContact CD2-CB 4.34Å; L383-V389 HydrophobicContact CD2-CG2 3.5Å; L383-V389 VanDerWaalsContact CD2-CG2 3.5Å; L383-L408 HydrophobicContact CB-CD1 4.12Å | ||
| 384 | P | 86.4 | Confident | 89.3 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -74.6 | -30 | -176.9 | 31 | -33.7 | 0 | 0 | 0 | 113.1 | E371 I373 I382 | E371-P384 WeakPolarHBondContact O-CD 3.12Å; I373-P384 HydrophobicContact CD1-CB 3.78Å; I373-P384 HydrophobicContact CD1-CG 3.81Å; I373-P384 HydrophobicContact CG1-CB 4.43Å; I373-P384 HydrophobicContact CG1-CG 4.02Å; I382-P384 WeakPolarHBondContact O-CD 2.98Å |
| 385 | D | 85.7 | Confident | 89.5 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | trans | -133.8 | 123.7 | -179.1 | -177.8 | 5.5 | 0 | 0 | 0 | 109.6 | L383 T387 | L383-D385 WeakPolarHBondContact CG-O 3.09Å; D385-T387 WeakPolarHBondContact OD1-CB 3.29Å; D385-T387 WeakPolarHBondContact OD1-CG2 3.38Å; D385-T387 PolarHBondContact OD1-N 2.86Å; D385-T387 PolarHBondContact OD1-OG1 2.65Å; D385-T387 PolarHBondContact OD2-OG1 2.66Å | ||
| 386 | D | 88.6 | Confident | 89.8 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | trans | -89.8 | -6 | 179.9 | 71.7 | -24.8 | 0 | 0 | 0 | 113.3 | L383 V388 V389 Q390 | L383-D386 HydrophobicContact CD2-CB 4.29Å; D386-V388 VanDerWaalsContact C-N 3.29Å; D386-V388 PolarHBondContact O-N 2.65Å; D386-V389 PolarHBondContact O-N 2.66Å; D386-V389 VanDerWaalsContact O-N 3.07Å; D386-Q390 VanDerWaalsContact CG-NE2 3.27Å; D386-Q390 WeakPolarHBondContact O-CG 3.16Å; D386-Q390 PolarHBondContact O-N 3.33Å; D386-Q390 PolarHBondContact OD1-NE2 3.44Å; D386-Q390 PolarHBondContact OD2-NE2 3.33Å | ||
| 387 | T | 91.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58 | -39.3 | -177 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | D385 Q390 K391 | D385-T387 WeakPolarHBondContact OD1-CB 3.29Å; D385-T387 WeakPolarHBondContact OD1-CG2 3.38Å; D385-T387 PolarHBondContact OD1-N 2.86Å; D385-T387 PolarHBondContact OD1-OG1 2.65Å; D385-T387 PolarHBondContact OD2-OG1 2.66Å; T387-Q390 PolarHBondContact O-N 2.64Å; T387-K391 WeakPolarHBondContact O-CG 3.39Å; T387-K391 PolarHBondContact O-N 2.68Å; T387-K391 VanDerWaalsContact O-N 3.14Å |
| 388 | V | 91.7 | Very high | 90.6 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.3 | -40.4 | 178.3 | -179 | 0 | 0 | 0 | 0 | 110.9 | H366 N369 M370 D386 K391 I392 | H366-V388 HydrophobicContact CB-CG1 4.45Å; H366-V388 WeakPolarHBondContact O-CG1 3.49Å; N369-V388 HydrophobicContact CB-CG1 3.98Å; N369-V388 HydrophobicContact CB-CG2 4.27Å; M370-V388 HydrophobicContact CG-CG1 3.88Å; D386-V388 VanDerWaalsContact C-N 3.29Å; D386-V388 PolarHBondContact O-N 2.65Å; V388-K391 WeakPolarHBondContact O-CB 3.29Å; V388-K391 PolarHBondContact O-N 2.71Å; V388-I392 HydrophobicContact CG1-CD1 4.06Å; V388-I392 WeakPolarHBondContact O-CG1 3.35Å; V388-I392 PolarHBondContact O-N 2.7Å |
| 389 | V | 92 | Very high | 91 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | M370 L383 D386 K391 I392 C393 V400 L403 | M370-V389 HydrophobicContact CE-CG2 3.34Å; M370-V389 HydrophobicContact SD-CG2 4.11Å; L383-V389 HydrophobicContact CD1-CG2 4.22Å; L383-V389 HydrophobicContact CD2-CB 4.34Å; L383-V389 HydrophobicContact CD2-CG2 3.5Å; L383-V389 VanDerWaalsContact CD2-CG2 3.5Å; D386-V389 PolarHBondContact O-N 2.66Å; D386-V389 VanDerWaalsContact O-N 3.07Å; V389-K391 VanDerWaalsContact C-N 3.31Å; V389-K391 PolarHBondContact O-N 3.4Å; V389-I392 PolarHBondContact O-N 3.43Å; V389-C393 VanDerWaalsContact O-CB 3.31Å; V389-C393 WeakPolarHBondContact O-CB 3.26Å; V389-C393 PolarHBondContact O-N 3.26Å; V389-C393 PolarHBondContact O-SG 2.74Å; V389-C393 VanDerWaalsContact O-SG 3.4Å; V389-V400 HydrophobicContact CG1-CG1 4.02Å; V389-L403 HydrophobicContact CG1-CB 4.5Å; V389-L403 HydrophobicContact CG1-CD2 4.09Å; V389-L403 HydrophobicContact CG1-CG 4.42Å |
| 390 | Q | 93 | Very high | 91.3 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58 | -43 | 174.3 | -68.8 | 176.1 | 14.2 | 0 | 0 | 111.8 | D386 T387 C393 H394 V400 | D386-Q390 VanDerWaalsContact CG-NE2 3.27Å; D386-Q390 WeakPolarHBondContact O-CG 3.16Å; D386-Q390 PolarHBondContact O-N 3.33Å; D386-Q390 PolarHBondContact OD1-NE2 3.44Å; D386-Q390 PolarHBondContact OD2-NE2 3.33Å; T387-Q390 PolarHBondContact O-N 2.64Å; Q390-C393 PolarHBondContact O-N 2.71Å; Q390-H394 WeakPolarHBondContact O-CB 2.77Å; Q390-H394 PolarHBondContact O-N 3.47Å; Q390-V400 HydrophobicContact CB-CG2 4.47Å; Q390-V400 HydrophobicContact CG-CG1 3.97Å; Q390-V400 HydrophobicContact CG-CG2 4.06Å |
| 391 | K | 93.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 27% | 0.265 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 176.1 | -66.2 | 176.3 | -176.5 | 177.5 | 0 | 112.1 | L311 T387 V388 V389 H394 L395 | L311-K391 HydrophobicContact CD1-CB 3.99Å; L311-K391 HydrophobicContact CD1-CG 4.03Å; T387-K391 WeakPolarHBondContact O-CG 3.39Å; T387-K391 PolarHBondContact O-N 2.68Å; T387-K391 VanDerWaalsContact O-N 3.14Å; V388-K391 WeakPolarHBondContact O-CB 3.29Å; V388-K391 PolarHBondContact O-N 2.71Å; V389-K391 VanDerWaalsContact C-N 3.31Å; V389-K391 PolarHBondContact O-N 3.4Å; K391-H394 PolarHBondContact O-N 2.79Å; K391-L395 VanDerWaalsContact O-CG 3.32Å; K391-L395 WeakPolarHBondContact O-CG 3.39Å; K391-L395 PolarHBondContact O-N 2.66Å |
| 392 | I | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 178.6 | -66.1 | 162.6 | 0 | 0 | 0 | 110.4 | H366 F367 M370 V388 V389 H394 L395 L396 L403 | H366-I392 HydrophobicContact CB-CD1 4.26Å; H366-I392 HydrophobicContact CB-CG1 3.68Å; F367-I392 HydrophobicContact CD1-CD1 3.75Å; F367-I392 HydrophobicContact CD1-CG2 4.33Å; F367-I392 HydrophobicContact CE1-CD1 4.15Å; F367-I392 HydrophobicContact CE1-CG2 3.74Å; F367-I392 HydrophobicContact CE2-CG2 4.02Å; F367-I392 HydrophobicContact CG-CD1 4.13Å; F367-I392 HydrophobicContact CZ-CG2 3.56Å; M370-I392 HydrophobicContact CG-CD1 3.85Å; M370-I392 HydrophobicContact SD-CD1 3.63Å; V388-I392 HydrophobicContact CG1-CD1 4.06Å; V388-I392 WeakPolarHBondContact O-CG1 3.35Å; V388-I392 PolarHBondContact O-N 2.7Å; V389-I392 PolarHBondContact O-N 3.43Å; I392-H394 VanDerWaalsContact C-N 3.31Å; I392-H394 PolarHBondContact O-N 2.69Å; I392-L395 PolarHBondContact O-N 2.64Å; I392-L396 HydrophobicContact CG2-CD1 3.84Å; I392-L396 HydrophobicContact CG2-CG 4.49Å; I392-L396 WeakPolarHBondContact O-CB 2.9Å; I392-L396 PolarHBondContact O-N 3.29Å; I392-L403 HydrophobicContact CG2-CD2 4.09Å |
| 393 | C | 93.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 178.3 | -78.3 | 0 | 0 | 0 | 0 | 112.7 | V389 Q390 G397 L398 V400 L403 | V389-C393 VanDerWaalsContact O-CB 3.31Å; V389-C393 WeakPolarHBondContact O-CB 3.26Å; V389-C393 PolarHBondContact O-N 3.26Å; V389-C393 PolarHBondContact O-SG 2.74Å; V389-C393 VanDerWaalsContact O-SG 3.4Å; Q390-C393 PolarHBondContact O-N 2.71Å; C393-G397 WeakPolarHBondContact O-CA 3.06Å; C393-G397 PolarHBondContact O-N 3.26Å; C393-L398 HydrophobicContact CB-CB 4.34Å; C393-L398 VanDerWaalsContact CB-O 3.28Å; C393-L398 WeakPolarHBondContact CB-O 3.13Å; C393-L398 PolarHBondContact O-N 2.74Å; C393-V400 HydrophobicContact CB-CG2 3.79Å; C393-V400 VanDerWaalsContact SG-CA 3.58Å; C393-L403 WeakPolarHBondContact SG-CD2 3.35Å |
| 394 | H | 93.2 | Very high | 91.7 | Very high | 140 Ų | 140 | 45.9 Ų | 45.9 | 65% | 0.648 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 175.3 | -177.8 | 68.5 | 0 | 0 | 0 | 112.3 | Q390 K391 I392 | Q390-H394 WeakPolarHBondContact O-CB 2.77Å; Q390-H394 PolarHBondContact O-N 3.47Å; K391-H394 PolarHBondContact O-N 2.79Å; I392-H394 VanDerWaalsContact C-N 3.31Å; I392-H394 PolarHBondContact O-N 2.69Å |
| 395 | L | 93.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -34.5 | -179.3 | -69 | 167.8 | 0 | 0 | 0 | 113.1 | L311 R359 S362 A363 K391 I392 | L311-L395 HydrophobicContact CD1-CD2 4.44Å; L311-L395 HydrophobicContact CD1-CG 4.27Å; R359-L395 HydrophobicContact CB-CD2 4.48Å; R359-L395 HydrophobicContact CG-CD2 4.31Å; S362-L395 WeakPolarHBondContact OG-CD1 3.15Å; A363-L395 HydrophobicContact CB-CB 4.3Å; A363-L395 HydrophobicContact CB-CD1 4.38Å; K391-L395 VanDerWaalsContact O-CG 3.32Å; K391-L395 WeakPolarHBondContact O-CG 3.39Å; K391-L395 PolarHBondContact O-N 2.66Å; I392-L395 PolarHBondContact O-N 2.64Å |
| 396 | L | 94.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -101.3 | -1.9 | -175.1 | -63.4 | -178.7 | 0 | 0 | 0 | 114.5 | V360 A363 F367 I392 L398 L614 S617 V622 | V360-L396 HydrophobicContact CG2-CD2 4.2Å; A363-L396 HydrophobicContact CB-CD1 3.95Å; A363-L396 HydrophobicContact CB-CD2 3.68Å; A363-L396 HydrophobicContact CB-CG 3.7Å; F367-L396 HydrophobicContact CE2-CD1 3.87Å; F367-L396 HydrophobicContact CZ-CD1 3.91Å; I392-L396 HydrophobicContact CG2-CD1 3.84Å; I392-L396 HydrophobicContact CG2-CG 4.49Å; I392-L396 WeakPolarHBondContact O-CB 2.9Å; I392-L396 PolarHBondContact O-N 3.29Å; L396-L398 HydrophobicContact CB-CD1 4Å; L396-L398 HydrophobicContact CB-CG 3.96Å; L396-L398 HydrophobicContact CD1-CD1 4.25Å; L396-L614 HydrophobicContact CD1-CD2 4.17Å; L396-S617 PolarHBondContact O-OG 2.8Å; L396-V622 HydrophobicContact CD2-CG2 4.11Å |
| 397 | G | 93 | Very high | 92.3 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 43.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C393 S617 S618 | C393-G397 WeakPolarHBondContact O-CA 3.06Å; C393-G397 PolarHBondContact O-N 3.26Å; G397-S617 PolarHBondContact O-OG 3.33Å; G397-S618 VanDerWaalsContact CA-OG 3.24Å; G397-S618 WeakPolarHBondContact CA-OG 3.5Å; G397-S618 PolarHBondContact O-N 2.9Å; G397-S618 PolarHBondContact O-OG 3.45Å |
| 398 | L | 93.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | trans | -116.1 | 158.3 | -177.3 | -54.9 | 176.8 | 0 | 0 | 0 | 112.1 | C393 L396 L403 L613 L614 | C393-L398 HydrophobicContact CB-CB 4.34Å; C393-L398 VanDerWaalsContact CB-O 3.28Å; C393-L398 WeakPolarHBondContact CB-O 3.13Å; C393-L398 PolarHBondContact O-N 2.74Å; L396-L398 HydrophobicContact CB-CD1 4Å; L396-L398 HydrophobicContact CB-CG 3.96Å; L396-L398 HydrophobicContact CD1-CD1 4.25Å; L398-L403 HydrophobicContact CD1-CD2 4.34Å; L398-L613 HydrophobicContact CD2-CB 4.41Å; L398-L613 WeakPolarHBondContact CD2-O 3.33Å; L398-L614 HydrophobicContact CD1-CD2 3.84Å; L398-L614 HydrophobicContact CD1-CG 4.46Å; L398-L614 HydrophobicContact CD2-CD2 4.29Å | ||
| 399 | A | 92.2 | Very high | 92.2 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | trans | -82.9 | 128.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | T401 E402 L403 | A399-T401 PolarHBondContact O-N 2.77Å; A399-E402 HydrophobicContact CB-CB 4.19Å; A399-E402 HydrophobicContact CB-CG 4.12Å; A399-E402 PolarHBondContact O-N 2.74Å; A399-L403 PolarHBondContact O-N 3.33Å | ||
| 400 | V | 91.2 | Very high | 92 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.5 | -46.8 | -176.5 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | V389 Q390 C393 E402 L403 A404 | V389-V400 HydrophobicContact CG1-CG1 4.02Å; Q390-V400 HydrophobicContact CB-CG2 4.47Å; Q390-V400 HydrophobicContact CG-CG1 3.97Å; Q390-V400 HydrophobicContact CG-CG2 4.06Å; C393-V400 HydrophobicContact CB-CG2 3.79Å; C393-V400 VanDerWaalsContact SG-CA 3.58Å; V400-E402 PolarHBondContact O-N 3.48Å; V400-L403 PolarHBondContact O-N 2.64Å; V400-A404 WeakPolarHBondContact O-CB 3.28Å; V400-A404 PolarHBondContact O-N 2.72Å |
| 401 | T | 91.2 | Very high | 91.6 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 63% | 0.632 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.2 | -39.5 | -178.4 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | A399 K405 | A399-T401 PolarHBondContact O-N 2.77Å; T401-K405 VanDerWaalsContact O-CB 3.23Å; T401-K405 WeakPolarHBondContact O-CB 2.9Å; T401-K405 PolarHBondContact O-N 2.74Å |
| 402 | E | 91 | Very high | 91.1 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.4 | -40.9 | -179.7 | -65.1 | -56 | 132.8 | 0 | 0 | 111.6 | A399 V400 K405 A406 L613 | A399-E402 HydrophobicContact CB-CB 4.19Å; A399-E402 HydrophobicContact CB-CG 4.12Å; A399-E402 PolarHBondContact O-N 2.74Å; V400-E402 PolarHBondContact O-N 3.48Å; E402-K405 PolarHBondContact O-N 3.03Å; E402-A406 VanDerWaalsContact O-CB 3.23Å; E402-A406 WeakPolarHBondContact O-CB 3.29Å; E402-A406 PolarHBondContact O-N 3.41Å; E402-L613 HydrophobicContact CB-CD1 4Å; E402-L613 HydrophobicContact CB-CD2 3.79Å; E402-L613 HydrophobicContact CG-CD2 4.5Å |
| 403 | L | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.7 | -177.3 | 60.8 | 0 | 0 | 0 | 111.4 | V389 I392 C393 L398 A399 V400 K405 A406 L407 V610 | V389-L403 HydrophobicContact CG1-CB 4.5Å; V389-L403 HydrophobicContact CG1-CD2 4.09Å; V389-L403 HydrophobicContact CG1-CG 4.42Å; I392-L403 HydrophobicContact CG2-CD2 4.09Å; C393-L403 WeakPolarHBondContact SG-CD2 3.35Å; L398-L403 HydrophobicContact CD1-CD2 4.34Å; A399-L403 PolarHBondContact O-N 3.33Å; V400-L403 PolarHBondContact O-N 2.64Å; L403-K405 VanDerWaalsContact C-N 3.34Å; L403-K405 PolarHBondContact O-N 2.64Å; L403-A406 PolarHBondContact O-N 2.73Å; L403-L407 HydrophobicContact CD1-CD1 4.15Å; L403-L407 HydrophobicContact CD1-CG 4.32Å; L403-L407 HydrophobicContact CG-CD1 4.13Å; L403-L407 WeakPolarHBondContact O-CG 2.81Å; L403-L407 PolarHBondContact O-N 3.27Å; L403-V610 HydrophobicContact CD1-CG1 3.91Å; L403-V610 HydrophobicContact CD1-CG2 4.31Å |
| 404 | A | 91.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V400 L407 L408 | V400-A404 WeakPolarHBondContact O-CB 3.28Å; V400-A404 PolarHBondContact O-N 2.72Å; A404-L407 PolarHBondContact O-N 3.39Å; A404-L408 WeakPolarHBondContact O-CB 3.17Å; A404-L408 WeakPolarHBondContact O-CG 3.46Å; A404-L408 PolarHBondContact O-N 2.85Å |
| 405 | K | 91.3 | Very high | 88.1 | Confident | 102 Ų | 102 | 46.3 Ų | 46.3 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 176.1 | -172.9 | 179.9 | 178.8 | -174.9 | 0 | 112 | T401 E402 L403 L407 R409 | T401-K405 VanDerWaalsContact O-CB 3.23Å; T401-K405 WeakPolarHBondContact O-CB 2.9Å; T401-K405 PolarHBondContact O-N 2.74Å; E402-K405 PolarHBondContact O-N 3.03Å; L403-K405 VanDerWaalsContact C-N 3.34Å; L403-K405 PolarHBondContact O-N 2.64Å; K405-L407 VanDerWaalsContact C-N 3.33Å; K405-L407 PolarHBondContact O-N 2.75Å; K405-R409 CarbonylContact O-C 3.54Å; K405-R409 VanDerWaalsContact O-CA 3.26Å; K405-R409 WeakPolarHBondContact O-CA 2.87Å; K405-R409 PolarHBondContact O-N 2.81Å |
| 406 | A | 90.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E402 L403 P410 N607 N609 V610 L613 | E402-A406 VanDerWaalsContact O-CB 3.23Å; E402-A406 WeakPolarHBondContact O-CB 3.29Å; E402-A406 PolarHBondContact O-N 3.41Å; L403-A406 PolarHBondContact O-N 2.73Å; A406-P410 WeakPolarHBondContact O-CB 3.31Å; A406-P410 WeakPolarHBondContact O-CD 3.16Å; A406-N607 PolarHBondContact O-ND2 2.73Å; A406-N609 HydrophobicContact CB-CB 3.82Å; A406-V610 HydrophobicContact CB-CG2 3.76Å; A406-L613 HydrophobicContact CB-CD1 3.84Å |
| 407 | L | 91.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78 | -43.4 | 177.7 | -69.4 | 171.7 | 0 | 0 | 0 | 113 | M370 L403 A404 K405 Q423 V432 V610 | M370-L407 HydrophobicContact CE-CD1 3.53Å; M370-L407 HydrophobicContact SD-CD1 4.15Å; L403-L407 HydrophobicContact CD1-CD1 4.15Å; L403-L407 HydrophobicContact CD1-CG 4.32Å; L403-L407 HydrophobicContact CG-CD1 4.13Å; L403-L407 WeakPolarHBondContact O-CG 2.81Å; L403-L407 PolarHBondContact O-N 3.27Å; A404-L407 PolarHBondContact O-N 3.39Å; K405-L407 VanDerWaalsContact C-N 3.33Å; K405-L407 PolarHBondContact O-N 2.75Å; L407-Q423 WeakPolarHBondContact O-CG 3.45Å; L407-V432 HydrophobicContact CD1-CG2 3.93Å; L407-V432 HydrophobicContact CD2-CG2 3.87Å; L407-V610 HydrophobicContact CD2-CG2 3.91Å; L407-V610 HydrophobicContact CG-CG2 4.27Å |
| 408 | L | 91.7 | Very high | 86 | Confident | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -87.4 | -35.9 | -174.9 | -62.6 | 177.2 | 0 | 0 | 0 | 113.4 | F372 A381 L383 A404 A422 Q423 | F372-L408 HydrophobicContact CD1-CD2 3.72Å; F372-L408 HydrophobicContact CE1-CD2 3.64Å; A381-L408 HydrophobicContact CB-CD2 3.75Å; L383-L408 HydrophobicContact CB-CD1 4.12Å; A404-L408 WeakPolarHBondContact O-CB 3.17Å; A404-L408 WeakPolarHBondContact O-CG 3.46Å; A404-L408 PolarHBondContact O-N 2.85Å; L408-A422 WeakPolarHBondContact O-CA 2.95Å; L408-Q423 PolarHBondContact O-N 2.68Å |
| 409 | R | 90 | Very high | 85.5 | Confident | 143 Ų | 143 | 67.3 Ų | 67.3 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -139.3 | 58.6 | -174.8 | -64.6 | -175.3 | 177.3 | 179.2 | -1 | 111.6 | K405 H420 K421 A422 | K405-R409 CarbonylContact O-C 3.54Å; K405-R409 VanDerWaalsContact O-CA 3.26Å; K405-R409 WeakPolarHBondContact O-CA 2.87Å; K405-R409 PolarHBondContact O-N 2.81Å; R409-H420 PolarHBondContact O-ND1 3.34Å; R409-K421 WeakPolarHBondContact CA-O 3.45Å; R409-A422 HydrophobicContact CG-CB 4.35Å |
| 410 | P | 87.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.032 | 34% | 0.344 | C | S | . | . | trans | -52.7 | 142 | 178.3 | 22.7 | -33.8 | 0 | 0 | 0 | 111.2 | A406 I412 K421 Q423 | A406-P410 WeakPolarHBondContact O-CB 3.31Å; A406-P410 WeakPolarHBondContact O-CD 3.16Å; P410-I412 HydrophobicContact CB-CG1 4.2Å; P410-I412 HydrophobicContact CG-CD1 4.35Å; P410-I412 HydrophobicContact CG-CG1 4.34Å; P410-I412 PolarHBondContact O-N 2.8Å; P410-K421 VanDerWaalsContact CD-O 3.27Å; P410-K421 WeakPolarHBondContact CD-O 2.96Å; P410-K421 PolarHBondContact O-N 2.7Å; P410-Q423 HydrophobicContact CG-CG 3.87Å | ||
| 411 | R | 85.5 | Confident | 85.1 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 94.9 | 175.4 | -174.7 | -174.1 | 166.6 | -176 | -2.5 | 107.3 | Y418 H420 N609 | R411-Y418 HydrophobicContact CG-CD1 3.84Å; R411-Y418 HydrophobicContact CG-CG 4.23Å; R411-Y418 VanDerWaalsContact NE-CG 3.29Å; R411-H420 VanDerWaalsContact CB-CE1 3.49Å; R411-H420 WeakPolarHBondContact CB-CE1 3.34Å; R411-N609 WeakPolarHBondContact CB-ND2 3.11Å; R411-N609 PolarHBondContact N-ND2 3.24Å; R411-N609 VanDerWaalsContact N-ND2 3.19Å; R411-N609 PolarHBondContact N-OD1 2.8Å; R411-N609 PolarHBondContact O-ND2 3Å; R411-N609 VanDerWaalsContact O-ND2 3.08Å; R411-N609 PolarHBondContact O-OD1 2.84Å |
| 412 | I | 82.5 | Confident | 85 | Confident | 53 Ų | 53 | 69 Ų | 69 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 136.1 | -175 | -54.9 | 175.1 | 0 | 0 | 0 | 108.5 | P410 V414 Y418 V419 K421 | P410-I412 HydrophobicContact CB-CG1 4.2Å; P410-I412 HydrophobicContact CG-CD1 4.35Å; P410-I412 HydrophobicContact CG-CG1 4.34Å; P410-I412 PolarHBondContact O-N 2.8Å; I412-V414 HydrophobicContact CG2-CG2 4.27Å; I412-Y418 WeakPolarHBondContact O-CA 3.01Å; I412-V419 PolarHBondContact N-O 3.17Å; I412-V419 PolarHBondContact O-N 3.38Å; I412-K421 HydrophobicContact CD1-CB 3.86Å; I412-K421 HydrophobicContact CD1-CD 3.99Å |
| 413 | K | 74 | Confident | 84.9 | Confident | 12 Ų | 12 | 66 Ų | 66 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.5 | 170.4 | -167.9 | 175.6 | 176.5 | -179.9 | 0 | 108.5 | G415 D417 Y418 G639 | K413-G415 WeakPolarHBondContact CE-O 3.32Å; K413-G415 WeakPolarHBondContact CG-O 3.38Å; K413-D417 CarbonylContact C-O 3.58Å; K413-D417 WeakPolarHBondContact CA-O 3.13Å; K413-Y418 HydrophobicContact CB-CD1 4.12Å; K413-Y418 HydrophobicContact CB-CE1 3.92Å; K413-Y418 HydrophobicContact CD-CE1 4.42Å; K413-Y418 HydrophobicContact CG-CE1 4.25Å; K413-G639 PolarHBondContact NZ-O 2.84Å |
| 414 | V | 73.1 | Confident | 84.8 | Confident | 94 Ų | 94 | 67.6 Ų | 67.6 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 103.8 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | I412 R416 D417 V419 | I412-V414 HydrophobicContact CG2-CG2 4.27Å; V414-R416 PolarHBondContact O-N 3.31Å; V414-D417 PolarHBondContact N-O 3.44Å; V414-D417 PolarHBondContact O-N 3.46Å; V414-V419 HydrophobicContact CB-CG2 4.33Å; V414-V419 HydrophobicContact CG2-CB 4.37Å; V414-V419 HydrophobicContact CG2-CG2 4.16Å |
| 415 | G | 70.7 | Confident | 84.8 | Confident | 39 Ų | 39 | 70 Ų | 70 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -115 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K413 | K413-G415 WeakPolarHBondContact CE-O 3.32Å; K413-G415 WeakPolarHBondContact CG-O 3.38Å |
| 416 | R | 73.5 | Confident | 84.5 | Confident | 181 Ų | 181 | 72.5 Ų | 72.5 | 68% | 0.683 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -18.5 | 176.8 | -65.6 | -176 | 179.9 | -173.4 | -1.5 | 114 | V414 | V414-R416 PolarHBondContact O-N 3.31Š|
| 417 | D | 79.7 | Confident | 84.4 | Confident | 122 Ų | 122 | 75.8 Ų | 75.8 | 65% | 0.652 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 154.1 | -175.3 | -66.9 | -42.3 | 0 | 0 | 0 | 112.4 | K413 V414 | K413-D417 CarbonylContact C-O 3.58Å; K413-D417 WeakPolarHBondContact CA-O 3.13Å; V414-D417 PolarHBondContact N-O 3.44Å; V414-D417 PolarHBondContact O-N 3.46Å |
| 418 | Y | 82 | Confident | 84.3 | Confident | 114 Ų | 114 | 75.7 Ų | 75.7 | 45% | 0.447 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.2 | 173.4 | -72.6 | -84 | 0 | 0 | 0 | 110.6 | R411 I412 K413 | R411-Y418 HydrophobicContact CG-CD1 3.84Å; R411-Y418 HydrophobicContact CG-CG 4.23Å; R411-Y418 VanDerWaalsContact NE-CG 3.29Å; I412-Y418 WeakPolarHBondContact O-CA 3.01Å; K413-Y418 HydrophobicContact CB-CD1 4.12Å; K413-Y418 HydrophobicContact CB-CE1 3.92Å; K413-Y418 HydrophobicContact CD-CE1 4.42Å; K413-Y418 HydrophobicContact CG-CE1 4.25Å |
| 419 | V | 84.2 | Confident | 84.2 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.9 | 177.9 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | I412 V414 | I412-V419 PolarHBondContact N-O 3.17Å; I412-V419 PolarHBondContact O-N 3.38Å; V414-V419 HydrophobicContact CB-CG2 4.33Å; V414-V419 HydrophobicContact CG2-CB 4.37Å; V414-V419 HydrophobicContact CG2-CG2 4.16Å |
| 420 | H | 87.1 | Confident | 84 | Confident | 101 Ų | 101 | 71.3 Ų | 71.3 | 47% | 0.468 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.5 | 169.7 | -76.2 | -74.6 | 0 | 0 | 0 | 109.6 | R409 R411 | R409-H420 PolarHBondContact O-ND1 3.34Å; R411-H420 VanDerWaalsContact CB-CE1 3.49Å; R411-H420 WeakPolarHBondContact CB-CE1 3.34Å |
| 421 | K | 86.7 | Confident | 84 | Confident | 105 Ų | 105 | 71.6 Ų | 71.6 | 46% | 0.457 | 35% | 0.351 | S | S | . | . | trans | -106.7 | 119 | 179 | -175 | -179.8 | 178.8 | -175.9 | 0 | 109.9 | R409 P410 I412 Q423 | R409-K421 WeakPolarHBondContact CA-O 3.45Å; P410-K421 VanDerWaalsContact CD-O 3.27Å; P410-K421 WeakPolarHBondContact CD-O 2.96Å; P410-K421 PolarHBondContact O-N 2.7Å; I412-K421 HydrophobicContact CD1-CB 3.86Å; I412-K421 HydrophobicContact CD1-CD 3.99Å; K421-Q423 PolarHBondContact O-NE2 3.35Å | ||
| 422 | A | 89.3 | Confident | 84.3 | Confident | 31 Ų | 31 | 66.1 Ų | 66.1 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 131.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q380 L408 R409 | Q380-A422 HydrophobicContact CB-CB 4.38Å; Q380-A422 HydrophobicContact CG-CB 3.68Å; L408-A422 WeakPolarHBondContact O-CA 2.95Å; R409-A422 HydrophobicContact CG-CB 4.35Å |
| 423 | Q | 89.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 148.3 | 179.4 | -60.8 | -57.6 | -53.6 | 0 | 0 | 110.9 | A381 L407 L408 P410 K421 Q427 A428 | A381-Q423 WeakPolarHBondContact CB-O 3.22Å; A381-Q423 PolarHBondContact N-O 2.84Å; L407-Q423 WeakPolarHBondContact O-CG 3.45Å; L408-Q423 PolarHBondContact O-N 2.68Å; P410-Q423 HydrophobicContact CG-CG 3.87Å; K421-Q423 PolarHBondContact O-NE2 3.35Å; Q423-Q427 HydrophobicContact CB-CB 4Å; Q423-Q427 VanDerWaalsContact OE1-CB 3.28Å; Q423-A428 HydrophobicContact CB-CB 4.42Å |
| 424 | S | 90.1 | Very high | 85.1 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 167.2 | 165.6 | 73 | 0 | 0 | 0 | 0 | 111 | E426 Q427 A428 | S424-E426 VanDerWaalsContact C-N 3.29Å; S424-E426 PolarHBondContact O-N 3.36Å; S424-Q427 PolarHBondContact O-N 3.31Å; S424-Q427 WeakPolarHBondContact OG-CG 3.26Å; S424-Q427 PolarHBondContact OG-N 2.85Å; S424-A428 PolarHBondContact O-N 3.25Å |
| 425 | K | 90.8 | Very high | 85.9 | Confident | 74 Ų | 74 | 60 Ų | 60 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -51.6 | -49.7 | 174.7 | 179 | -174.2 | 169.6 | -178 | 0 | 111.6 | F372 Q374 Q427 A428 E429 | F372-K425 HydrophobicContact CB-CG 4Å; F372-K425 VanDerWaalsContact O-CD 3.32Å; F372-K425 WeakPolarHBondContact O-CD 3.03Å; F372-K425 WeakPolarHBondContact O-CE 3.47Å; Q374-K425 HydrophobicContact CB-CB 4.28Å; K425-Q427 PolarHBondContact O-N 3.31Å; K425-A428 PolarHBondContact O-N 2.96Å; K425-E429 WeakPolarHBondContact CE-OE2 3.27Å; K425-E429 WeakPolarHBondContact O-CG 2.9Å; K425-E429 PolarHBondContact O-N 3.41Å |
| 426 | E | 86.3 | Confident | 87 | Confident | 155 Ų | 155 | 58.2 Ų | 58.2 | 72% | 0.724 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | -177.5 | -64.2 | 174.8 | 177.3 | 0 | 0 | 112 | S424 F430 | S424-E426 VanDerWaalsContact C-N 3.29Å; S424-E426 PolarHBondContact O-N 3.36Å; E426-F430 VanDerWaalsContact O-CB 3.23Å; E426-F430 WeakPolarHBondContact O-CB 3.22Å; E426-F430 PolarHBondContact O-N 2.8Å |
| 427 | Q | 87.4 | Confident | 87.7 | Confident | 77 Ų | 77 | 50.6 Ų | 50.6 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 177.2 | -72.4 | 169.1 | -19.3 | 0 | 0 | 112.2 | Q423 S424 K425 S431 | Q423-Q427 HydrophobicContact CB-CB 4Å; Q423-Q427 VanDerWaalsContact OE1-CB 3.28Å; S424-Q427 PolarHBondContact O-N 3.31Å; S424-Q427 WeakPolarHBondContact OG-CG 3.26Å; S424-Q427 PolarHBondContact OG-N 2.85Å; K425-Q427 PolarHBondContact O-N 3.31Å; Q427-S431 WeakPolarHBondContact O-CB 2.9Å; Q427-S431 PolarHBondContact O-N 3.32Å |
| 428 | A | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | F372 A381 Q423 S424 K425 F430 S431 V432 | F372-A428 HydrophobicContact CD1-CB 3.9Å; F372-A428 HydrophobicContact CD2-CB 4.1Å; F372-A428 HydrophobicContact CE1-CB 3.88Å; F372-A428 HydrophobicContact CE2-CB 4.06Å; F372-A428 HydrophobicContact CG-CB 3.99Å; F372-A428 HydrophobicContact CZ-CB 3.92Å; A381-A428 HydrophobicContact CB-CB 3.8Å; Q423-A428 HydrophobicContact CB-CB 4.42Å; S424-A428 PolarHBondContact O-N 3.25Å; K425-A428 PolarHBondContact O-N 2.96Å; A428-F430 VanDerWaalsContact C-N 3.35Å; A428-F430 PolarHBondContact O-N 2.84Å; A428-S431 PolarHBondContact O-N 2.94Å; A428-V432 WeakPolarHBondContact O-CG2 3.49Å; A428-V432 PolarHBondContact O-N 3.18Å |
| 429 | E | 89.9 | Confident | 88.6 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 173.9 | -75.7 | -175.5 | 136.9 | 0 | 0 | 111 | R319 F372 K425 S431 V432 E433 | R319-E429 IonicContact CZ-OE1 2.7Å; R319-E429 IonicContact NH1-OE1 3.94Å; R319-E429 PolarHBondContact NH1-OE1 2.82Å; R319-E429 IonicContact NH2-OE1 3.57Å; R319-E429 PolarHBondContact NH2-OE1 3.5Å; F372-E429 HydrophobicContact CD2-CG 3.66Å; F372-E429 HydrophobicContact CE2-CG 4.39Å; K425-E429 WeakPolarHBondContact CE-OE2 3.27Å; K425-E429 WeakPolarHBondContact O-CG 2.9Å; K425-E429 PolarHBondContact O-N 3.41Å; E429-S431 PolarHBondContact O-N 2.84Å; E429-V432 PolarHBondContact O-N 3.44Å; E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 2.63Å |
| 430 | F | 85.9 | Confident | 89 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 20% | 0.202 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 175.9 | -179.1 | -85.5 | 0 | 0 | 0 | 112.2 | E426 A428 V432 E433 A434 M600 P605 | E426-F430 VanDerWaalsContact O-CB 3.23Å; E426-F430 WeakPolarHBondContact O-CB 3.22Å; E426-F430 PolarHBondContact O-N 2.8Å; A428-F430 VanDerWaalsContact C-N 3.35Å; A428-F430 PolarHBondContact O-N 2.84Å; F430-V432 VanDerWaalsContact C-N 3.27Å; F430-V432 PolarHBondContact O-N 2.97Å; F430-E433 PolarHBondContact O-N 2.9Å; F430-A434 HydrophobicContact CE1-CB 4.09Å; F430-A434 WeakPolarHBondContact O-CB 3.2Å; F430-A434 PolarHBondContact O-N 3.32Å; F430-M600 HydrophobicContact CD2-CE 4.48Å; F430-M600 HydrophobicContact CD2-SD 4.22Å; F430-M600 HydrophobicContact CE2-CB 4.19Å; F430-M600 HydrophobicContact CE2-CE 4.4Å; F430-M600 HydrophobicContact CE2-SD 3.95Å; F430-M600 HydrophobicContact CZ-CB 4.49Å; F430-P605 HydrophobicContact CE1-CG 3.71Å; F430-P605 HydrophobicContact CZ-CG 3.98Å |
| 431 | S | 87.2 | Confident | 89.1 | Confident | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 178 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | Q427 A428 E429 I435 N607 | Q427-S431 WeakPolarHBondContact O-CB 2.9Å; Q427-S431 PolarHBondContact O-N 3.32Å; A428-S431 PolarHBondContact O-N 2.94Å; E429-S431 PolarHBondContact O-N 2.84Å; S431-I435 WeakPolarHBondContact O-CB 3.19Å; S431-I435 WeakPolarHBondContact O-CD1 3.12Å; S431-I435 PolarHBondContact O-N 3.23Å; S431-I435 VanDerWaalsContact O-N 3.12Å; S431-N607 WeakPolarHBondContact OG-CB 3.43Å; S431-N607 PolarHBondContact OG-ND2 3.01Å |
| 432 | V | 91 | Very high | 89.3 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.03 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68 | -44.2 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | F367 M370 F372 L407 A428 E429 F430 S436 | F367-V432 HydrophobicContact CB-CG1 3.9Å; F367-V432 HydrophobicContact CD1-CG1 3.89Å; F367-V432 HydrophobicContact CG-CG1 4.32Å; F367-V432 WeakPolarHBondContact O-CG1 3.15Å; M370-V432 HydrophobicContact CE-CG2 4.21Å; M370-V432 HydrophobicContact SD-CG1 4.28Å; M370-V432 HydrophobicContact SD-CG2 3.93Å; F372-V432 HydrophobicContact CE2-CB 4.48Å; F372-V432 HydrophobicContact CE2-CG2 3.72Å; F372-V432 HydrophobicContact CZ-CG2 3.72Å; L407-V432 HydrophobicContact CD1-CG2 3.93Å; L407-V432 HydrophobicContact CD2-CG2 3.87Å; A428-V432 WeakPolarHBondContact O-CG2 3.49Å; A428-V432 PolarHBondContact O-N 3.18Å; E429-V432 PolarHBondContact O-N 3.44Å; F430-V432 VanDerWaalsContact C-N 3.27Å; F430-V432 PolarHBondContact O-N 2.97Å; V432-S436 WeakPolarHBondContact O-CB 2.83Å; V432-S436 PolarHBondContact O-N 3.47Å; V432-S436 PolarHBondContact O-OG 3.42Å |
| 433 | E | 88.8 | Confident | 89.5 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 15% | 0.145 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 175.2 | -76.7 | -173.8 | 175.6 | 0 | 0 | 112.9 | N283 R284 F320 E429 F430 S436 K437 | N283-E433 WeakPolarHBondContact ND2-CB 3.17Å; R284-E433 IonicContact CZ-OE1 2.88Å; R284-E433 IonicContact CZ-OE2 3.42Å; R284-E433 IonicContact NE-OE1 2.95Å; R284-E433 PolarHBondContact NE-OE1 3.42Å; R284-E433 IonicContact NE-OE2 3.6Å; R284-E433 PolarHBondContact NE-OE2 2.84Å; R284-E433 IonicContact NH2-OE1 3.44Å; R284-E433 PolarHBondContact NH2-OE1 3.41Å; R284-E433 IonicContact NH2-OE2 3.49Å; R284-E433 PolarHBondContact NH2-OE2 3Å; F320-E433 HydrophobicContact CE1-CG 4.14Å; F320-E433 HydrophobicContact CZ-CG 4.3Å; E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 2.63Å; F430-E433 PolarHBondContact O-N 2.9Å; E433-S436 PolarHBondContact O-OG 2.96Å; E433-K437 WeakPolarHBondContact O-CE 3.18Å; E433-K437 VanDerWaalsContact O-CG 3.28Å; E433-K437 WeakPolarHBondContact O-CG 2.87Å; E433-K437 PolarHBondContact O-N 3.23Å; E433-K437 VanDerWaalsContact O-N 3.14Å |
| 434 | A | 86 | Confident | 89.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -46.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F430 S436 K437 A438 P605 L606 | F430-A434 HydrophobicContact CE1-CB 4.09Å; F430-A434 WeakPolarHBondContact O-CB 3.2Å; F430-A434 PolarHBondContact O-N 3.32Å; A434-S436 PolarHBondContact O-N 2.93Å; A434-K437 PolarHBondContact O-N 3.43Å; A434-A438 WeakPolarHBondContact O-CB 3.12Å; A434-A438 PolarHBondContact O-N 3.42Å; A434-P605 WeakPolarHBondContact CB-O 3.39Å; A434-L606 HydrophobicContact CB-CD2 4.06Å |
| 435 | I | 90 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 178.1 | -85 | 41.8 | 0 | 0 | 0 | 111.2 | F367 S431 A438 C439 L606 N607 V610 L614 | F367-I435 HydrophobicContact CE1-CG2 4.11Å; F367-I435 HydrophobicContact CE2-CG2 4.2Å; F367-I435 HydrophobicContact CZ-CG2 3.76Å; S431-I435 WeakPolarHBondContact O-CB 3.19Å; S431-I435 WeakPolarHBondContact O-CD1 3.12Å; S431-I435 PolarHBondContact O-N 3.23Å; S431-I435 VanDerWaalsContact O-N 3.12Å; I435-A438 PolarHBondContact O-N 2.88Å; I435-C439 WeakPolarHBondContact O-CB 3.27Å; I435-C439 PolarHBondContact O-N 2.93Å; I435-C439 PolarHBondContact O-SG 2.84Å; I435-C439 VanDerWaalsContact O-SG 3.37Å; I435-L606 HydrophobicContact CD1-CB 4.23Å; I435-L606 HydrophobicContact CD1-CD2 3.84Å; I435-N607 HydrophobicContact CD1-CB 4.28Å; I435-V610 HydrophobicContact CG1-CB 4.11Å; I435-V610 HydrophobicContact CG1-CG1 3.73Å; I435-V610 HydrophobicContact CG2-CG1 4.19Å; I435-L614 HydrophobicContact CG2-CD1 4.49Å |
| 436 | S | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 178.9 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | F320 V432 E433 A434 A438 C439 Y440 | F320-S436 WeakPolarHBondContact CE2-OG 2.94Å; V432-S436 WeakPolarHBondContact O-CB 2.83Å; V432-S436 PolarHBondContact O-N 3.47Å; V432-S436 PolarHBondContact O-OG 3.42Å; E433-S436 PolarHBondContact O-OG 2.96Å; A434-S436 PolarHBondContact O-N 2.93Å; S436-A438 PolarHBondContact O-N 3.39Å; S436-C439 PolarHBondContact O-N 3.45Å; S436-Y440 PolarHBondContact O-N 3.07Å; S436-Y440 VanDerWaalsContact O-N 3.15Å |
| 437 | K | 88.7 | Confident | 90.2 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 172.5 | -71.7 | 180 | -69.2 | 157.2 | 0 | 111.6 | K279 E433 A434 Y440 E441 D604 | K279-K437 HydrophobicContact CB-CB 4.26Å; K279-K437 HydrophobicContact CD-CB 4.18Å; K279-K437 HydrophobicContact CG-CB 4.22Å; K279-K437 HydrophobicContact CG-CD 4.38Å; E433-K437 WeakPolarHBondContact O-CE 3.18Å; E433-K437 VanDerWaalsContact O-CG 3.28Å; E433-K437 WeakPolarHBondContact O-CG 2.87Å; E433-K437 PolarHBondContact O-N 3.23Å; E433-K437 VanDerWaalsContact O-N 3.14Å; A434-K437 PolarHBondContact O-N 3.43Å; K437-Y440 PolarHBondContact O-N 2.75Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 PolarHBondContact O-N 3.44Å; K437-D604 IonicContact NZ-OD1 2.8Å; K437-D604 PolarHBondContact NZ-OD1 2.93Å |
| 438 | A | 88 | Confident | 90.5 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 3% | 0.033 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68 | -40 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A434 I435 S436 Y440 E441 R442 L606 W626 | A434-A438 WeakPolarHBondContact O-CB 3.12Å; A434-A438 PolarHBondContact O-N 3.42Å; I435-A438 PolarHBondContact O-N 2.88Å; S436-A438 PolarHBondContact O-N 3.39Å; A438-Y440 VanDerWaalsContact C-N 3.33Å; A438-Y440 PolarHBondContact O-N 2.71Å; A438-E441 PolarHBondContact O-N 2.86Å; A438-R442 WeakPolarHBondContact O-CB 3.37Å; A438-R442 WeakPolarHBondContact O-CG 3.39Å; A438-R442 PolarHBondContact O-N 3.38Å; A438-L606 HydrophobicContact CB-CD1 4.14Å; A438-L606 HydrophobicContact CB-CD2 3.68Å; A438-W626 HydrophobicContact CB-CH2 3.73Å; A438-W626 HydrophobicContact CB-CZ2 4.33Å |
| 439 | C | 91.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56 | -48.1 | 171.7 | -80.7 | 0 | 0 | 0 | 0 | 111.1 | V360 V364 I435 S436 M443 | V360-C439 HydrophobicContact CG1-CB 4.44Å; V364-C439 HydrophobicContact CG2-CB 4.07Å; I435-C439 WeakPolarHBondContact O-CB 3.27Å; I435-C439 PolarHBondContact O-N 2.93Å; I435-C439 PolarHBondContact O-SG 2.84Å; I435-C439 VanDerWaalsContact O-SG 3.37Å; S436-C439 PolarHBondContact O-N 3.45Å; C439-M443 VanDerWaalsContact O-CB 3.28Å; C439-M443 WeakPolarHBondContact O-CB 3.33Å; C439-M443 PolarHBondContact O-N 3Å |
| 440 | Y | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 179.8 | -165.6 | -92.4 | 0 | 0 | 0 | 112.2 | F239 L277 A282 F292 I294 F295 S436 K437 A438 M443 F444 | F239-Y440 WeakPolarHBondContact CA-OH 3.28Å; F239-Y440 PolarHBondContact O-OH 2.65Å; L277-Y440 HydrophobicContact CD2-CD1 3.98Å; L277-Y440 HydrophobicContact CD2-CE1 4.19Å; A282-Y440 HydrophobicContact CB-CG 4.39Å; F292-Y440 VanDerWaalsContact CB-OH 3.25Å; F292-Y440 WeakPolarHBondContact CB-OH 3.07Å; F292-Y440 HydrophobicContact CD1-CE1 4.46Å; F292-Y440 HydrophobicContact CD2-CD1 4.25Å; F292-Y440 AromaticContact CD2-CE1 3.45Å; F292-Y440 HydrophobicContact CD2-CE1 3.45Å; F292-Y440 VanDerWaalsContact CD2-CE1 3.45Å; F292-Y440 HydrophobicContact CD2-CE2 4.35Å; F292-Y440 AromaticContact CD2-CZ 3.52Å; F292-Y440 HydrophobicContact CE1-CE1 4.46Å; F292-Y440 AromaticContact CE2-CD1 4Å; F292-Y440 HydrophobicContact CE2-CD1 4Å; F292-Y440 AromaticContact CE2-CE1 3.48Å; F292-Y440 HydrophobicContact CE2-CE1 3.48Å; F292-Y440 VanDerWaalsContact CE2-CE1 3.48Å; F292-Y440 AromaticContact CG-CE1 3.99Å; F292-Y440 HydrophobicContact CG-CE1 3.99Å; F292-Y440 AromaticContact CG-CZ 3.82Å; F292-Y440 VanDerWaalsContact CG-OH 3.29Å; F292-Y440 WeakPolarHBondContact CG-OH 3.09Å; F292-Y440 HydrophobicContact CZ-CE1 4.01Å; I294-Y440 HydrophobicContact CG2-CE2 4.42Å; I294-Y440 WeakPolarHBondContact CG2-OH 2.77Å; F295-Y440 HydrophobicContact CE1-CE2 4.26Å; F295-Y440 HydrophobicContact CE2-CE2 4.04Å; F295-Y440 AromaticContact CZ-CD2 3.83Å; F295-Y440 HydrophobicContact CZ-CD2 3.83Å; F295-Y440 AromaticContact CZ-CE2 3.59Å; F295-Y440 HydrophobicContact CZ-CE2 3.59Å; S436-Y440 PolarHBondContact O-N 3.07Å; S436-Y440 VanDerWaalsContact O-N 3.15Å; K437-Y440 PolarHBondContact O-N 2.75Å; A438-Y440 VanDerWaalsContact C-N 3.33Å; A438-Y440 PolarHBondContact O-N 2.71Å; Y440-M443 HydrophobicContact CD2-CE 3.83Å; Y440-M443 HydrophobicContact CE2-CE 3.86Å; Y440-M443 HydrophobicContact CG-CE 4.42Å; Y440-M443 PolarHBondContact O-N 2.92Å; Y440-F444 WeakPolarHBondContact O-CB 3.21Å; Y440-F444 PolarHBondContact O-N 2.9Å |
| 441 | E | 89.7 | Confident | 91.1 | Very high | 36 Ų | 36 | 21.2 Ų | 21.2 | 17% | 0.168 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 178.2 | -173.1 | -170.2 | 167.1 | 0 | 0 | 112.2 | L277 K279 K437 A438 F444 K445 | L277-E441 HydrophobicContact CD2-CB 4.42Å; L277-E441 HydrophobicContact CD2-CG 4.47Å; K279-E441 HydrophobicContact CD-CB 4.41Å; K279-E441 VanDerWaalsContact CD-OE2 3.26Å; K279-E441 WeakPolarHBondContact CD-OE2 2.99Å; K279-E441 IonicContact NZ-OE2 2.97Å; K279-E441 PolarHBondContact NZ-OE2 3.33Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 PolarHBondContact O-N 3.44Å; A438-E441 PolarHBondContact O-N 2.86Å; E441-F444 PolarHBondContact O-N 3.44Å; E441-K445 WeakPolarHBondContact O-CG 3.47Å; E441-K445 PolarHBondContact O-N 3.41Å; E441-K445 WeakPolarHBondContact OE1-CE 3.33Å; E441-K445 IonicContact OE1-NZ 3.44Å; E441-K445 PolarHBondContact OE1-NZ 2.56Å |
| 442 | R | 90.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 21.5 Ų | 21.5 | 20% | 0.2 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 179.9 | -74.5 | 176.5 | 169.9 | -93.6 | -4.2 | 111.9 | A438 K445 W446 I625 A629 | A438-R442 WeakPolarHBondContact O-CB 3.37Å; A438-R442 WeakPolarHBondContact O-CG 3.39Å; A438-R442 PolarHBondContact O-N 3.38Å; R442-K445 PolarHBondContact O-N 2.85Å; R442-W446 WeakPolarHBondContact O-CB 2.78Å; R442-W446 PolarHBondContact O-N 2.62Å; R442-I625 HydrophobicContact CB-CB 4.33Å; R442-I625 WeakPolarHBondContact CD-O 3.1Å; R442-I625 PolarHBondContact NH1-O 2.92Å; R442-A629 VanDerWaalsContact NH2-CA 3.29Å |
| 443 | M | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 172.5 | 179.8 | -163.1 | 68.6 | 0 | 0 | 111.4 | F239 I357 V360 V361 C439 Y440 W446 L447 | F239-M443 HydrophobicContact CD1-CE 3.62Å; F239-M443 HydrophobicContact CE1-CE 3.69Å; F239-M443 HydrophobicContact CE1-SD 4.32Å; I357-M443 HydrophobicContact CG2-CG 4.37Å; I357-M443 HydrophobicContact CG2-SD 3.82Å; V360-M443 HydrophobicContact CB-SD 3.96Å; V360-M443 HydrophobicContact CG1-CB 4.21Å; V360-M443 HydrophobicContact CG1-CG 4.36Å; V360-M443 HydrophobicContact CG1-SD 3.83Å; V361-M443 HydrophobicContact CG2-CE 3.87Å; V361-M443 HydrophobicContact CG2-SD 3.8Å; C439-M443 VanDerWaalsContact O-CB 3.28Å; C439-M443 WeakPolarHBondContact O-CB 3.33Å; C439-M443 PolarHBondContact O-N 3Å; Y440-M443 HydrophobicContact CD2-CE 3.83Å; Y440-M443 HydrophobicContact CE2-CE 3.86Å; Y440-M443 HydrophobicContact CG-CE 4.42Å; Y440-M443 PolarHBondContact O-N 2.92Å; M443-W446 PolarHBondContact O-N 3.45Å; M443-L447 WeakPolarHBondContact O-CB 3Å; M443-L447 PolarHBondContact O-N 3.35Å |
| 444 | F | 93.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 177.6 | -175.8 | -103.7 | 0 | 0 | 0 | 112.3 | L236 F239 F253 L277 Y440 E441 W446 L447 V448 | L236-F444 HydrophobicContact CD2-CE2 4.34Å; L236-F444 HydrophobicContact CD2-CZ 4.35Å; F239-F444 HydrophobicContact CB-CD2 3.85Å; F239-F444 HydrophobicContact CB-CE2 4.05Å; F253-F444 HydrophobicContact CD1-CZ 4.17Å; F253-F444 AromaticContact CD2-CE1 3.99Å; F253-F444 HydrophobicContact CD2-CE1 3.99Å; F253-F444 AromaticContact CD2-CZ 3.66Å; F253-F444 HydrophobicContact CD2-CZ 3.66Å; F253-F444 HydrophobicContact CE1-CZ 4.32Å; F253-F444 HydrophobicContact CE2-CE1 4.48Å; F253-F444 AromaticContact CE2-CZ 3.78Å; F253-F444 HydrophobicContact CE2-CZ 3.78Å; F253-F444 HydrophobicContact CG-CE1 4.22Å; F253-F444 AromaticContact CG-CZ 3.87Å; F253-F444 HydrophobicContact CG-CZ 3.87Å; F253-F444 HydrophobicContact CZ-CZ 4.15Å; L277-F444 HydrophobicContact CB-CD1 4.45Å; L277-F444 HydrophobicContact CD1-CD1 4.18Å; L277-F444 HydrophobicContact CD1-CE1 4.17Å; L277-F444 HydrophobicContact CD1-CG 4.44Å; L277-F444 HydrophobicContact CD1-CZ 4.43Å; L277-F444 HydrophobicContact CD2-CB 3.87Å; L277-F444 HydrophobicContact CD2-CD1 3.86Å; L277-F444 HydrophobicContact CD2-CG 3.93Å; L277-F444 HydrophobicContact CG-CD1 4.39Å; Y440-F444 WeakPolarHBondContact O-CB 3.21Å; Y440-F444 PolarHBondContact O-N 2.9Å; E441-F444 PolarHBondContact O-N 3.44Å; F444-W446 VanDerWaalsContact C-N 3.33Å; F444-W446 PolarHBondContact O-N 3.25Å; F444-L447 WeakPolarHBondContact O-CB 3.14Å; F444-L447 PolarHBondContact O-N 2.87Å; F444-V448 HydrophobicContact CD1-CG2 4.34Å; F444-V448 HydrophobicContact CE1-CG2 3.99Å; F444-V448 HydrophobicContact CZ-CG2 4.12Å; F444-V448 WeakPolarHBondContact O-CG2 3.23Å; F444-V448 PolarHBondContact O-N 3.47Å |
| 445 | K | 90.4 | Very high | 91.2 | Very high | 83 Ų | 83 | 27.7 Ų | 27.7 | 36% | 0.361 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.1 | -75.6 | 178.5 | -176.3 | 168.5 | 0 | 111.9 | E441 R442 V448 N449 | E441-K445 WeakPolarHBondContact O-CG 3.47Å; E441-K445 PolarHBondContact O-N 3.41Å; E441-K445 WeakPolarHBondContact OE1-CE 3.33Å; E441-K445 IonicContact OE1-NZ 3.44Å; E441-K445 PolarHBondContact OE1-NZ 2.56Å; R442-K445 PolarHBondContact O-N 2.85Å; K445-V448 PolarHBondContact O-N 2.61Å; K445-N449 PolarHBondContact O-N 2.63Å; K445-N449 PolarHBondContact O-ND2 2.86Å |
| 446 | W | 93.5 | Very high | 90.8 | Very high | 49 Ų | 49 | 32.5 Ų | 32.5 | 19% | 0.186 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 175 | -179.1 | 96.8 | 0 | 0 | 0 | 111.7 | F349 E353 I357 R442 M443 F444 V448 N449 R450 F621 I625 | F349-W446 HydrophobicContact CE1-CH2 4.5Å; F349-W446 HydrophobicContact CE1-CZ3 4Å; E353-W446 HydrophobicContact CB-CH2 4.23Å; E353-W446 HydrophobicContact CG-CH2 4.22Å; I357-W446 HydrophobicContact CD1-CZ3 3.83Å; I357-W446 HydrophobicContact CG1-CZ3 4.16Å; R442-W446 WeakPolarHBondContact O-CB 2.78Å; R442-W446 PolarHBondContact O-N 2.62Å; M443-W446 PolarHBondContact O-N 3.45Å; F444-W446 VanDerWaalsContact C-N 3.33Å; F444-W446 PolarHBondContact O-N 3.25Å; W446-V448 PolarHBondContact O-N 2.99Å; W446-N449 PolarHBondContact O-N 3.5Å; W446-R450 HydrophobicContact CE3-CB 4.3Å; W446-R450 HydrophobicContact CH2-CB 4.11Å; W446-R450 HydrophobicContact CH2-CG 3.84Å; W446-R450 HydrophobicContact CZ2-CB 4.41Å; W446-R450 HydrophobicContact CZ2-CG 4.3Å; W446-R450 HydrophobicContact CZ3-CB 4.04Å; W446-R450 HydrophobicContact CZ3-CG 4.15Å; W446-R450 WeakPolarHBondContact O-CB 3.44Å; W446-R450 PolarHBondContact O-N 3.38Å; W446-F621 AromaticContact CD2-CE2 3.66Å; W446-F621 HydrophobicContact CD2-CE2 3.66Å; W446-F621 HydrophobicContact CD2-CZ 4.18Å; W446-F621 AromaticContact CE2-CE2 3.67Å; W446-F621 AromaticContact CE3-CE2 3.65Å; W446-F621 HydrophobicContact CE3-CE2 3.65Å; W446-F621 AromaticContact CE3-CZ 3.95Å; W446-F621 HydrophobicContact CE3-CZ 3.95Å; W446-F621 HydrophobicContact CG-CE2 4.39Å; W446-F621 AromaticContact CH2-CE2 3.78Å; W446-F621 HydrophobicContact CH2-CE2 3.78Å; W446-F621 HydrophobicContact CZ2-CD2 4.28Å; W446-F621 AromaticContact CZ2-CE2 3.75Å; W446-F621 HydrophobicContact CZ2-CE2 3.75Å; W446-F621 AromaticContact CZ3-CE2 3.73Å; W446-F621 HydrophobicContact CZ3-CE2 3.73Å; W446-F621 HydrophobicContact CZ3-CZ 4.24Å; W446-I625 HydrophobicContact CB-CG2 3.85Å; W446-I625 HydrophobicContact CG-CG2 3.94Å |
| 447 | L | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 178.4 | -180 | 152.4 | 0 | 0 | 0 | 111.5 | I235 L236 F239 M344 M443 F444 R450 I451 | I235-L447 HydrophobicContact CG2-CD1 4.02Å; I235-L447 HydrophobicContact CG2-CD2 3.95Å; I235-L447 HydrophobicContact CG2-CG 4.31Å; L236-L447 HydrophobicContact CD2-CD2 3.97Å; F239-L447 HydrophobicContact CD1-CD1 4.26Å; F239-L447 HydrophobicContact CD2-CD1 3.88Å; F239-L447 HydrophobicContact CE1-CD1 4.32Å; F239-L447 HydrophobicContact CE2-CD1 3.99Å; F239-L447 HydrophobicContact CG-CD1 4.03Å; F239-L447 HydrophobicContact CZ-CD1 4.19Å; M344-L447 HydrophobicContact CE-CD1 4.3Å; M443-L447 WeakPolarHBondContact O-CB 3Å; M443-L447 PolarHBondContact O-N 3.35Å; F444-L447 WeakPolarHBondContact O-CB 3.14Å; F444-L447 PolarHBondContact O-N 2.87Å; L447-R450 PolarHBondContact O-N 2.92Å; L447-I451 HydrophobicContact CD2-CD1 3.62Å; L447-I451 HydrophobicContact CD2-CG1 4.49Å; L447-I451 HydrophobicContact CG-CD1 4.5Å; L447-I451 WeakPolarHBondContact O-CG1 3.24Å; L447-I451 PolarHBondContact O-N 3.28Å |
| 448 | V | 92.7 | Very high | 88.4 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.6 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | L236 I272 F444 K445 W446 R450 I451 N452 | L236-V448 HydrophobicContact CD2-CG2 3.81Å; I272-V448 VanDerWaalsContact O-CG1 3.29Å; I272-V448 WeakPolarHBondContact O-CG1 3.25Å; F444-V448 HydrophobicContact CD1-CG2 4.34Å; F444-V448 HydrophobicContact CE1-CG2 3.99Å; F444-V448 HydrophobicContact CZ-CG2 4.12Å; F444-V448 WeakPolarHBondContact O-CG2 3.23Å; F444-V448 PolarHBondContact O-N 3.47Å; K445-V448 PolarHBondContact O-N 2.61Å; W446-V448 PolarHBondContact O-N 2.99Å; V448-R450 VanDerWaalsContact C-N 3.29Å; V448-R450 PolarHBondContact O-N 2.85Å; V448-I451 WeakPolarHBondContact O-CB 2.9Å; V448-I451 PolarHBondContact O-N 3.36Å; V448-N452 PolarHBondContact O-N 2.77Å; V448-N452 PolarHBondContact O-ND2 2.85Å |
| 449 | N | 91.4 | Very high | 87 | Confident | 96 Ų | 96 | 50 Ų | 50 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -36.1 | 176.8 | -73.7 | -22.7 | 0 | 0 | 0 | 112.5 | K445 W446 N452 K453 | K445-N449 PolarHBondContact O-N 2.63Å; K445-N449 PolarHBondContact O-ND2 2.86Å; W446-N449 PolarHBondContact O-N 3.5Å; N449-N452 PolarHBondContact O-N 3.07Å; N449-K453 WeakPolarHBondContact O-CG 3.33Å; N449-K453 PolarHBondContact O-N 3.36Å |
| 450 | R | 92.4 | Very high | 85.6 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 176.9 | -173.5 | 63.3 | 175.4 | 88.7 | 7 | 111.8 | N348 F349 E353 W446 L447 V448 K453 S454 | N348-R450 PolarHBondContact O-NH2 2.87Å; F349-R450 HydrophobicContact CD1-CG 4.39Å; F349-R450 HydrophobicContact CD2-CG 4.49Å; F349-R450 HydrophobicContact CE1-CB 4.26Å; F349-R450 HydrophobicContact CE1-CG 3.84Å; F349-R450 HydrophobicContact CE2-CG 3.94Å; F349-R450 HydrophobicContact CZ-CB 3.87Å; F349-R450 HydrophobicContact CZ-CG 3.58Å; E353-R450 IonicContact OE1-CZ 3.47Å; E353-R450 IonicContact OE1-NE 2.88Å; E353-R450 PolarHBondContact OE1-NE 3.01Å; E353-R450 IonicContact OE1-NH2 3.73Å; E353-R450 IonicContact OE2-CZ 3.52Å; E353-R450 IonicContact OE2-NE 3.35Å; E353-R450 PolarHBondContact OE2-NE 2.98Å; E353-R450 IonicContact OE2-NH2 2.72Å; E353-R450 PolarHBondContact OE2-NH2 3.13Å; W446-R450 HydrophobicContact CE3-CB 4.3Å; W446-R450 HydrophobicContact CH2-CB 4.11Å; W446-R450 HydrophobicContact CH2-CG 3.84Å; W446-R450 HydrophobicContact CZ2-CB 4.41Å; W446-R450 HydrophobicContact CZ2-CG 4.3Å; W446-R450 HydrophobicContact CZ3-CB 4.04Å; W446-R450 HydrophobicContact CZ3-CG 4.15Å; W446-R450 WeakPolarHBondContact O-CB 3.44Å; W446-R450 PolarHBondContact O-N 3.38Å; L447-R450 PolarHBondContact O-N 2.92Å; V448-R450 VanDerWaalsContact C-N 3.29Å; V448-R450 PolarHBondContact O-N 2.85Å; R450-K453 PolarHBondContact O-N 2.8Å; R450-S454 PolarHBondContact NH1-OG 2.76Å; R450-S454 PolarHBondContact O-N 3.06Å |
| 451 | I | 93.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 171.7 | -72.9 | 172.5 | 0 | 0 | 0 | 110.4 | A232 I235 L236 I272 M347 F349 L447 V448 K453 S454 L455 | A232-I451 HydrophobicContact CB-CG2 3.97Å; I235-I451 HydrophobicContact CB-CD1 4.32Å; I235-I451 HydrophobicContact CG2-CD1 4.15Å; L236-I451 HydrophobicContact CD2-CD1 3.99Å; L236-I451 HydrophobicContact CG-CD1 4.15Å; I272-I451 HydrophobicContact CD1-CG2 4Å; M347-I451 HydrophobicContact CE-CB 4.17Å; M347-I451 HydrophobicContact CE-CG1 4.2Å; M347-I451 HydrophobicContact CE-CG2 3.75Å; F349-I451 HydrophobicContact CE2-CG1 4.08Å; F349-I451 HydrophobicContact CZ-CG1 4Å; L447-I451 HydrophobicContact CD2-CD1 3.62Å; L447-I451 HydrophobicContact CD2-CG1 4.49Å; L447-I451 HydrophobicContact CG-CD1 4.5Å; L447-I451 WeakPolarHBondContact O-CG1 3.24Å; L447-I451 PolarHBondContact O-N 3.28Å; V448-I451 WeakPolarHBondContact O-CB 2.9Å; V448-I451 PolarHBondContact O-N 3.36Å; I451-K453 VanDerWaalsContact C-N 3.34Å; I451-K453 PolarHBondContact O-N 3.42Å; I451-S454 WeakPolarHBondContact O-CB 3.35Å; I451-S454 PolarHBondContact O-N 3.36Å; I451-L455 HydrophobicContact CG2-CD1 3.82Å; I451-L455 HydrophobicContact CG2-CG 4.39Å; I451-L455 WeakPolarHBondContact O-CG 3.3Å; I451-L455 PolarHBondContact O-N 2.85Å |
| 452 | N | 92 | Very high | 83.1 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 179.5 | -69.4 | -23.2 | 0 | 0 | 0 | 112.3 | N271 I272 V448 N449 S454 L455 D456 | N271-N452 PolarHBondContact OD1-ND2 2.71Å; N271-N452 PolarHBondContact OD1-OD1 2.89Å; I272-N452 PolarHBondContact N-OD1 3.46Å; I272-N452 PolarHBondContact O-ND2 2.83Å; V448-N452 PolarHBondContact O-N 2.77Å; V448-N452 PolarHBondContact O-ND2 2.85Å; N449-N452 PolarHBondContact O-N 3.07Å; N452-S454 VanDerWaalsContact C-N 3.25Å; N452-S454 PolarHBondContact O-N 3.19Å; N452-L455 PolarHBondContact O-N 3.41Å; N452-L455 VanDerWaalsContact O-N 3.11Å; N452-D456 WeakPolarHBondContact O-CB 3.29Å; N452-D456 PolarHBondContact O-N 3.22Å |
| 453 | K | 89 | Confident | 82.4 | Confident | 159 Ų | 159 | 65.6 Ų | 65.6 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.9 | -35.1 | 173.3 | -75.2 | -179.9 | 178.9 | -174.8 | 0 | 113.1 | N449 R450 I451 | N449-K453 WeakPolarHBondContact O-CG 3.33Å; N449-K453 PolarHBondContact O-N 3.36Å; R450-K453 PolarHBondContact O-N 2.8Å; I451-K453 VanDerWaalsContact C-N 3.34Å; I451-K453 PolarHBondContact O-N 3.42Å |
| 454 | S | 87.8 | Confident | 82.1 | Confident | 7 Ų | 7 | 66 Ų | 66 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.6 | -29 | 176.9 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | Q228 M347 R450 I451 N452 R457 | Q228-S454 PolarHBondContact OE1-O 2.77Å; M347-S454 WeakPolarHBondContact O-CB 3.22Å; M347-S454 PolarHBondContact O-OG 3.44Å; R450-S454 PolarHBondContact NH1-OG 2.76Å; R450-S454 PolarHBondContact O-N 3.06Å; I451-S454 WeakPolarHBondContact O-CB 3.35Å; I451-S454 PolarHBondContact O-N 3.36Å; N452-S454 VanDerWaalsContact C-N 3.25Å; N452-S454 PolarHBondContact O-N 3.19Å; S454-R457 WeakPolarHBondContact O-CG 3.06Å |
| 455 | L | 87.8 | Confident | 82 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -83.5 | -20.4 | 177.8 | -63.9 | 173.9 | 0 | 0 | 0 | 113.3 | L225 Q228 L229 S269 A270 I272 M347 I451 N452 R457 | L225-L455 HydrophobicContact CD1-CB 4.43Å; L225-L455 HydrophobicContact CD1-CD2 4.03Å; L225-L455 WeakPolarHBondContact CD1-O 3.2Å; Q228-L455 HydrophobicContact CB-CD2 4Å; L229-L455 HydrophobicContact CB-CD2 4.29Å; L229-L455 HydrophobicContact CD1-CD1 4.41Å; S269-L455 WeakPolarHBondContact CA-O 3.06Å; A270-L455 HydrophobicContact CB-CB 4.26Å; A270-L455 HydrophobicContact CB-CD1 4.14Å; A270-L455 WeakPolarHBondContact O-CB 3.12Å; I272-L455 HydrophobicContact CD1-CD1 4.19Å; I272-L455 HydrophobicContact CG1-CD1 4.31Å; M347-L455 HydrophobicContact CE-CD2 4.23Å; M347-L455 HydrophobicContact CE-CG 4.21Å; I451-L455 HydrophobicContact CG2-CD1 3.82Å; I451-L455 HydrophobicContact CG2-CG 4.39Å; I451-L455 WeakPolarHBondContact O-CG 3.3Å; I451-L455 PolarHBondContact O-N 2.85Å; N452-L455 PolarHBondContact O-N 3.41Å; N452-L455 VanDerWaalsContact O-N 3.11Å; L455-R457 PolarHBondContact O-N 2.88Å |
| 456 | D | 81.7 | Confident | 82.2 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 54% | 0.535 | 29% | 0.294 | S | S | . | . | trans | -98.9 | 45.4 | -176.9 | -159.9 | 28.5 | 0 | 0 | 0 | 113.4 | S269 N452 | S269-D456 WeakPolarHBondContact CB-OD1 3.49Å; N452-D456 WeakPolarHBondContact O-CB 3.29Å; N452-D456 PolarHBondContact O-N 3.22Å | ||
| 457 | R | 67.4 | Low | 82.2 | Confident | 122 Ų | 122 | 60 Ų | 60 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | trans | -73.3 | -27.3 | -174 | -77.5 | 178 | 173.3 | -159.1 | 5.9 | 114.8 | E224 N348 S454 L455 | E224-R457 IonicContact OE1-CZ 3.97Å; E224-R457 IonicContact OE1-NH1 2.79Å; E224-R457 PolarHBondContact OE1-NH1 3.45Å; E224-R457 IonicContact OE1-NH2 2.74Å; E224-R457 PolarHBondContact OE1-NH2 3.36Å; E224-R457 IonicContact OE2-CZ 3.13Å; E224-R457 IonicContact OE2-NH1 3.3Å; E224-R457 PolarHBondContact OE2-NH1 2.86Å; N348-R457 PolarHBondContact ND2-NH2 2.94Å; S454-R457 WeakPolarHBondContact O-CG 3.06Å; L455-R457 PolarHBondContact O-N 2.88Å | ||
| 458 | T | 62.1 | Low | 82.2 | Confident | 56 Ų | 56 | 60 Ų | 60 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | trans | -105.6 | 119 | -178 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | C268 R460 | C268-T458 PolarHBondContact O-OG1 2.74Å; T458-R460 PolarHBondContact O-N 3.21Å | ||
| 459 | K | 59.4 | Low | 82.2 | Confident | 216 Ų | 216 | 59.9 Ų | 59.9 | 94% | 0.939 | 28% | 0.284 | S | S | * | . | trans | -66.3 | 15.3 | 171.9 | -67.6 | -171.3 | 176.2 | -173.6 | 0 | 113.5 | Q461 | K459-Q461 PolarHBondContact O-N 3.04Š| ||
| 460 | R | 62.5 | Low | 82 | Confident | 172 Ų | 172 | 55.4 Ų | 55.4 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 129.3 | -179.9 | -73.3 | -174.4 | -178.6 | -174.7 | 1.6 | 108.3 | T458 S462 | T458-R460 PolarHBondContact O-N 3.21Å; R460-S462 PolarHBondContact O-N 2.85Å; R460-S462 VanDerWaalsContact O-N 3.16Å |
| 461 | Q | 61.8 | Low | 81.5 | Confident | 135 Ų | 135 | 53.9 Ų | 53.9 | 63% | 0.631 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 117.5 | 175.9 | -64.3 | -173.9 | 8.7 | 0 | 0 | 108.7 | K459 | K459-Q461 PolarHBondContact O-N 3.04Š|
| 462 | S | 69.2 | Low | 80.6 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 134.7 | 172.4 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | R460 | R460-S462 PolarHBondContact O-N 2.85Å; R460-S462 VanDerWaalsContact O-N 3.16Å |
| 463 | S | 74 | Confident | 79.7 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -87 | -32.7 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | F261 M263 | F261-S463 PolarHBondContact O-N 2.65Å; F261-S463 VanDerWaalsContact O-N 3.12Å; F261-S463 PolarHBondContact O-OG 2.64Å; M263-S463 PolarHBondContact N-OG 3.18Å |
| 464 | S | 87.9 | Confident | 79.3 | Confident | 10 Ų | 10 | 46 Ų | 46 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.1 | -175.8 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | M168 D174 F261 | M168-S464 PolarHBondContact SD-OG 2.68Å; D174-S464 VanDerWaalsContact OD1-CA 3.27Å; D174-S464 WeakPolarHBondContact OD1-CA 3.43Å; F261-S464 PolarHBondContact N-O 2.63Å |
| 465 | F | 92.1 | Very high | 78.7 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157.8 | 175.4 | 75.8 | -92.5 | 0 | 0 | 0 | 113.6 | D174 Q175 F256 R258 I259 N260 T670 C674 | D174-F465 HydrophobicContact CB-CD1 3.84Å; D174-F465 HydrophobicContact CB-CE1 3.64Å; D174-F465 HydrophobicContact CB-CE2 4.41Å; D174-F465 HydrophobicContact CB-CG 4.35Å; D174-F465 HydrophobicContact CB-CZ 3.94Å; D174-F465 WeakPolarHBondContact OD1-CD1 3.35Å; D174-F465 PolarHBondContact OD1-N 2.7Å; D174-F465 WeakPolarHBondContact OD2-CD1 2.95Å; D174-F465 WeakPolarHBondContact OD2-CE1 2.87Å; Q175-F465 PolarHBondContact N-O 3.24Å; F256-F465 HydrophobicContact CZ-CE2 4.37Å; R258-F465 HydrophobicContact CB-CD2 4.45Å; R258-F465 HydrophobicContact CG-CB 3.82Å; R258-F465 HydrophobicContact CG-CD2 3.59Å; R258-F465 HydrophobicContact CG-CE2 4.28Å; R258-F465 HydrophobicContact CG-CG 3.76Å; I259-F465 CarbonylContact O-C 3.6Å; I259-F465 VanDerWaalsContact O-CA 3.23Å; I259-F465 WeakPolarHBondContact O-CA 3.39Å; I259-F465 WeakPolarHBondContact O-CB 3.14Å; N260-F465 WeakPolarHBondContact OD1-CB 3.25Å; F465-T670 HydrophobicContact CZ-CG2 4.19Å; F465-C674 WeakPolarHBondContact CZ-SG 3.2Å |
| 466 | I | 94.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.8 | 166.2 | -57.9 | 177.3 | 0 | 0 | 0 | 108.4 | Y165 M168 Q175 I177 L198 I259 F261 I468 | Y165-I466 HydrophobicContact CD2-CD1 4.4Å; M168-I466 HydrophobicContact SD-CD1 4.1Å; M168-I466 HydrophobicContact SD-CG1 3.68Å; Q175-I466 HydrophobicContact CB-CG1 4.26Å; Q175-I466 CarbonylContact O-C 3.57Å; Q175-I466 VanDerWaalsContact O-CA 3.32Å; Q175-I466 WeakPolarHBondContact O-CA 3.35Å; I177-I466 HydrophobicContact CD1-CG2 4.11Å; I177-I466 HydrophobicContact CG1-CG2 4.27Å; L198-I466 HydrophobicContact CD1-CD1 4.43Å; L198-I466 HydrophobicContact CD2-CD1 4.14Å; I259-I466 PolarHBondContact N-O 3.15Å; I259-I466 PolarHBondContact O-N 2.6Å; F261-I466 HydrophobicContact CD2-CG1 4.3Å; F261-I466 HydrophobicContact CE2-CB 3.92Å; F261-I466 HydrophobicContact CE2-CD1 3.68Å; F261-I466 HydrophobicContact CE2-CG1 3.55Å; F261-I466 HydrophobicContact CZ-CD1 3.86Å; F261-I466 HydrophobicContact CZ-CG1 4.24Å; I466-I468 HydrophobicContact CG2-CG1 4.43Å |
| 467 | G | 93.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q175 S176 I177 | Q175-G467 PolarHBondContact O-N 3.45Å; S176-G467 CarbonylContact C-O 3.48Å; S176-G467 WeakPolarHBondContact CA-O 3.41Å; S176-G467 WeakPolarHBondContact CB-O 3.34Å; I177-G467 PolarHBondContact N-O 2.72Å |
| 468 | I | 94.4 | Very high | 78.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.3 | 180 | -49.9 | 164.4 | 0 | 0 | 0 | 109.3 | I177 T191 V194 I195 L198 F256 I257 I259 I466 | I177-I468 WeakPolarHBondContact O-CA 3.4Å; T191-I468 HydrophobicContact CG2-CG2 3.69Å; V194-I468 HydrophobicContact CB-CD1 4.4Å; V194-I468 HydrophobicContact CG1-CD1 3.6Å; V194-I468 HydrophobicContact CG1-CG1 4.09Å; I195-I468 HydrophobicContact CG1-CD1 3.75Å; L198-I468 HydrophobicContact CD1-CD1 4.31Å; F256-I468 WeakPolarHBondContact CA-O 3.13Å; I257-I468 HydrophobicContact CB-CB 4.42Å; I257-I468 PolarHBondContact N-O 3.39Å; I257-I468 PolarHBondContact O-N 2.74Å; I259-I468 HydrophobicContact CD1-CD1 3.81Å; I466-I468 HydrophobicContact CG2-CG1 4.43Å |
| 469 | L | 92 | Very high | 78.6 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121 | 179.8 | -176.3 | 66.8 | 0 | 0 | 0 | 111.3 | I177 L178 C179 F256 L494 L667 L671 | I177-L469 PolarHBondContact O-N 2.66Å; L178-L469 HydrophobicContact CD2-CD2 4.18Å; L178-L469 HydrophobicContact CG-CB 4.4Å; L178-L469 HydrophobicContact CG-CD2 4.46Å; C179-L469 PolarHBondContact N-O 3.11Å; F256-L469 HydrophobicContact CB-CD1 4.21Å; F256-L469 HydrophobicContact CD2-CB 4.12Å; F256-L469 HydrophobicContact CD2-CD1 4.11Å; L469-L494 HydrophobicContact CD2-CD1 3.95Å; L469-L494 HydrophobicContact CD2-CD2 3.54Å; L469-L494 HydrophobicContact CD2-CG 4.42Å; L469-L667 HydrophobicContact CD1-CD1 4.22Å; L469-L667 HydrophobicContact CD1-CD2 4Å; L469-L671 HydrophobicContact CD2-CD1 3.95Å |
| 470 | D | 87.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 109.1 | 167.7 | -178.6 | 22.3 | 0 | 0 | 0 | 109 | K187 T188 T191 K255 | K187-D470 WeakPolarHBondContact CB-OD1 3.39Å; T188-D470 VanDerWaalsContact CA-OD2 3.24Å; T188-D470 WeakPolarHBondContact CA-OD2 3.49Å; T188-D470 VanDerWaalsContact CB-OD2 3.26Å; T188-D470 WeakPolarHBondContact CB-OD2 3.25Å; T188-D470 WeakPolarHBondContact CG2-OD2 3.29Å; T188-D470 PolarHBondContact OG1-OD1 2.62Å; T188-D470 PolarHBondContact OG1-OD2 3.45Å; T191-D470 HydrophobicContact CG2-CB 4.21Å; K255-D470 HydrophobicContact CD-CB 4.43Å; K255-D470 WeakPolarHBondContact CE-OD2 2.97Å; K255-D470 HydrophobicContact CG-CB 3.81Å; K255-D470 PolarHBondContact N-O 2.63Å; K255-D470 IonicContact NZ-OD2 3.17Å; K255-D470 PolarHBondContact O-N 3.23Å |
| 471 | I | 82 | Confident | 81 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | trans | -118.9 | 157.5 | -178.8 | -167.4 | 146.6 | 0 | 0 | 0 | 111.2 | K187 G473 T490 L494 | K187-I471 WeakPolarHBondContact CE-O 3.39Å; I471-G473 PolarHBondContact O-N 2.65Å; I471-T490 HydrophobicContact CD1-CG2 3.22Å; I471-T490 HydrophobicContact CG1-CG2 4.37Å; I471-L494 HydrophobicContact CD1-CD1 4.45Å; I471-L494 HydrophobicContact CG2-CD1 3.57Å | ||
| 472 | A | 74.1 | Confident | 82.1 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -52.5 | 134.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | I487 N491 | A472-I487 HydrophobicContact CB-CD1 4.38Å; A472-I487 HydrophobicContact CB-CG1 4.4Å; A472-I487 HydrophobicContact CB-CG2 3.9Å; A472-N491 PolarHBondContact O-ND2 2.75Å; A472-N491 PolarHBondContact O-OD1 3.49Å |
| 473 | G | 72.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 170.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G181 I471 E475 I487 | G181-G473 VanDerWaalsContact O-CA 3.25Å; G181-G473 WeakPolarHBondContact O-CA 3.36Å; I471-G473 PolarHBondContact O-N 2.65Å; G473-E475 WeakPolarHBondContact O-CG 3.26Å; G473-E475 PolarHBondContact O-N 2.75Å; G473-I487 VanDerWaalsContact O-CG2 3.32Å; G473-I487 WeakPolarHBondContact O-CG2 3.4Å |
| 474 | F | 79.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.022 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 133 | 172.3 | -157.7 | -85.9 | 0 | 0 | 0 | 110.6 | I476 N488 N491 H586 Y587 A588 V591 | F474-I476 HydrophobicContact CD1-CD1 4.05Å; F474-I476 HydrophobicContact CD1-CG1 3.71Å; F474-I476 HydrophobicContact CE1-CD1 3.77Å; F474-I476 HydrophobicContact CE1-CG1 3.53Å; F474-N488 HydrophobicContact CD2-CB 4.18Å; F474-N488 HydrophobicContact CE2-CB 3.65Å; F474-N488 HydrophobicContact CZ-CB 3.91Å; F474-N491 HydrophobicContact CB-CB 4.44Å; F474-N491 HydrophobicContact CD2-CB 3.83Å; F474-N491 PolarHBondContact N-ND2 3.08Å; F474-H586 HydrophobicContact CE2-CB 3.84Å; F474-H586 AromaticContact CE2-CG 3.96Å; F474-H586 HydrophobicContact CZ-CB 3.44Å; F474-H586 VanDerWaalsContact CZ-CB 3.44Å; F474-H586 AromaticContact CZ-CD2 3.98Å; F474-H586 AromaticContact CZ-CG 3.58Å; F474-Y587 HydrophobicContact CD2-CD1 4.4Å; F474-Y587 AromaticContact CD2-CE1 3.56Å; F474-Y587 HydrophobicContact CD2-CE1 3.56Å; F474-Y587 HydrophobicContact CE2-CD1 4.29Å; F474-Y587 AromaticContact CE2-CE1 3.89Å; F474-Y587 HydrophobicContact CE2-CE1 3.89Å; F474-Y587 HydrophobicContact CG-CE1 4.46Å; F474-A588 HydrophobicContact CD1-CB 3.58Å; F474-A588 HydrophobicContact CD2-CB 4.14Å; F474-A588 HydrophobicContact CE1-CB 3.62Å; F474-A588 HydrophobicContact CE2-CB 4.18Å; F474-A588 HydrophobicContact CG-CB 3.87Å; F474-A588 HydrophobicContact CZ-CB 3.94Å; F474-V591 HydrophobicContact CE1-CG2 3.7Å; F474-V591 HydrophobicContact CZ-CG2 3.85Å |
| 475 | E | 75.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -122.8 | 127.7 | -176.9 | -64.6 | -166.7 | 153 | 0 | 0 | 111 | R252 G473 F477 N488 | R252-E475 IonicContact CZ-OE1 2.74Å; R252-E475 IonicContact CZ-OE2 3.42Å; R252-E475 IonicContact NH1-OE1 2.93Å; R252-E475 PolarHBondContact NH1-OE1 3.39Å; R252-E475 IonicContact NH1-OE2 3.78Å; R252-E475 PolarHBondContact NH1-OE2 2.71Å; R252-E475 IonicContact NH2-OE1 3.72Å; R252-E475 PolarHBondContact NH2-OE1 3.31Å; R252-E475 IonicContact NH2-OE2 3.83Å; R252-E475 PolarHBondContact NH2-OE2 2.67Å; G473-E475 WeakPolarHBondContact O-CG 3.26Å; G473-E475 PolarHBondContact O-N 2.75Å; E475-F477 HydrophobicContact CB-CD2 4.37Å; E475-F477 HydrophobicContact CB-CE2 3.75Å; E475-F477 HydrophobicContact CB-CZ 4.03Å; E475-F477 HydrophobicContact CG-CE2 4.23Å; E475-F477 HydrophobicContact CG-CZ 4.17Å; E475-F477 VanDerWaalsContact OE2-CE2 3.22Å; E475-F477 WeakPolarHBondContact OE2-CE2 3.46Å; E475-N488 PolarHBondContact N-OD1 3.22Å; E475-N488 PolarHBondContact O-ND2 2.85Å; E475-N488 PolarHBondContact O-OD1 2.91Å | ||
| 476 | I | 76.3 | Confident | 83.2 | Confident | 56 Ų | 56 | 23.6 Ų | 23.6 | 29% | 0.287 | 12% | 0.118 | S | C | . | . | trans | -128.2 | 107.3 | 175.5 | -50.1 | -179.6 | 0 | 0 | 0 | 106.6 | K246 F474 V591 | K246-I476 WeakPolarHBondContact CE-O 3.18Å; K246-I476 PolarHBondContact NZ-O 2.86Å; F474-I476 HydrophobicContact CD1-CD1 4.05Å; F474-I476 HydrophobicContact CD1-CG1 3.71Å; F474-I476 HydrophobicContact CE1-CD1 3.77Å; F474-I476 HydrophobicContact CE1-CG1 3.53Å; I476-V591 HydrophobicContact CD1-CG2 4.28Å; I476-V591 HydrophobicContact CG1-CG2 4.01Å | ||
| 477 | F | 76.5 | Confident | 82.7 | Confident | 40 Ų | 40 | 24 Ų | 24 | 18% | 0.175 | 12% | 0.12 | C | C | . | . | trans | -113.3 | 171.2 | 173.4 | -56.1 | -59 | 0 | 0 | 0 | 110.8 | K246 E475 L479 N480 Q484 | K246-F477 HydrophobicContact CG-CE1 4.44Å; E475-F477 HydrophobicContact CB-CD2 4.37Å; E475-F477 HydrophobicContact CB-CE2 3.75Å; E475-F477 HydrophobicContact CB-CZ 4.03Å; E475-F477 HydrophobicContact CG-CE2 4.23Å; E475-F477 HydrophobicContact CG-CZ 4.17Å; E475-F477 VanDerWaalsContact OE2-CE2 3.22Å; E475-F477 WeakPolarHBondContact OE2-CE2 3.46Å; F477-L479 PolarHBondContact O-N 3.18Å; F477-N480 PolarHBondContact N-OD1 3.04Å; F477-N480 PolarHBondContact O-ND2 3.3Å; F477-Q484 HydrophobicContact CD2-CG 3.99Å; F477-Q484 HydrophobicContact CE2-CG 4.12Å | ||
| 478 | E | 73.2 | Confident | 82.4 | Confident | 193 Ų | 193 | 24 Ų | 24 | 90% | 0.902 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -62.1 | -33.9 | 174.2 | -66.6 | -179.6 | 174.1 | 0 | 0 | 112.1 | ||
| 479 | L | 71.6 | Confident | 82.2 | Confident | 102 Ų | 102 | 24 Ų | 24 | 53% | 0.534 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -131.2 | 110.7 | 176.6 | -68 | 169.4 | 0 | 0 | 0 | 109.1 | F477 A579 L594 | F477-L479 PolarHBondContact O-N 3.18Å; L479-A579 HydrophobicContact CD2-CB 4.17Å; L479-L594 HydrophobicContact CD2-CD2 4.27Å |
| 480 | N | 84.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -105.7 | 129.1 | 179.5 | -54.4 | -76.9 | 0 | 0 | 0 | 110 | F477 Q484 V591 D592 Y593 L594 | F477-N480 PolarHBondContact N-OD1 3.04Å; F477-N480 PolarHBondContact O-ND2 3.3Å; N480-Q484 HydrophobicContact CB-CB 3.95Å; N480-Q484 HydrophobicContact CB-CG 4.37Å; N480-V591 HydrophobicContact CB-CG1 4.16Å; N480-V591 WeakPolarHBondContact ND2-CG1 3.27Å; N480-D592 WeakPolarHBondContact CB-O 3.39Å; N480-D592 PolarHBondContact ND2-O 2.89Å; N480-Y593 HydrophobicContact CB-CD1 3.61Å; N480-Y593 HydrophobicContact CB-CE1 3.82Å; N480-Y593 HydrophobicContact CB-CG 4.46Å; N480-Y593 WeakPolarHBondContact O-CA 3.24Å; N480-L594 PolarHBondContact O-N 3.5Å |
| 481 | S | 86.5 | Confident | 82.1 | Confident | 22 Ų | 22 | 24 Ų | 24 | 15% | 0.154 | 12% | 0.12 | C | C | . | . | trans | -105.5 | -170.9 | -179.6 | -156.4 | 0 | 0 | 0 | 0 | 111.8 | E483 Q484 L485 K601 | S481-E483 VanDerWaalsContact C-N 3.26Å; S481-E483 PolarHBondContact O-N 2.72Å; S481-Q484 PolarHBondContact O-N 3.25Å; S481-L485 PolarHBondContact O-N 3.17Å; S481-L485 VanDerWaalsContact O-N 3.1Å; S481-K601 PolarHBondContact OG-NZ 2.81Å | ||
| 482 | F | 86.7 | Confident | 82.4 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.9 | -39.3 | -178.1 | 176.2 | -115.8 | 0 | 0 | 0 | 113.1 | L485 C486 L540 L543 W598 K601 N602 V656 | F482-L485 WeakPolarHBondContact O-CB 3.38Å; F482-L485 PolarHBondContact O-N 2.73Å; F482-C486 PolarHBondContact O-N 3.47Å; F482-C486 PolarHBondContact O-SG 3.16Å; F482-L540 HydrophobicContact CE2-CD2 4Å; F482-L543 HydrophobicContact CD2-CD2 3.82Å; F482-L543 HydrophobicContact CE2-CD2 3.5Å; F482-L543 VanDerWaalsContact CE2-CD2 3.5Å; F482-L543 HydrophobicContact CZ-CD2 4.28Å; F482-W598 HydrophobicContact CB-CD2 3.94Å; F482-W598 HydrophobicContact CB-CG 4.02Å; F482-W598 HydrophobicContact CB-CZ2 4.48Å; F482-W598 HydrophobicContact CD2-CD2 4.35Å; F482-W598 HydrophobicContact CD2-CE3 4.21Å; F482-K601 HydrophobicContact CB-CD 4.27Å; F482-K601 HydrophobicContact CD1-CB 4.29Å; F482-N602 HydrophobicContact CZ-CB 4.44Å; F482-V656 HydrophobicContact CE1-CB 4.33Å; F482-V656 HydrophobicContact CE1-CG1 4.11Å |
| 483 | E | 82.5 | Confident | 83.1 | Confident | 27 Ų | 27 | 24.3 Ų | 24.3 | 13% | 0.126 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 179.7 | -61.4 | 91.4 | 153.7 | 0 | 0 | 112.1 | E278 S280 S481 C486 I487 K601 | E278-E483 HydrophobicContact CG-CB 4.17Å; E278-E483 HydrophobicContact CG-CG 4.23Å; S280-E483 VanDerWaalsContact CB-OE1 3.26Å; S280-E483 WeakPolarHBondContact CB-OE1 3.29Å; S280-E483 PolarHBondContact OG-OE1 3.48Å; S481-E483 VanDerWaalsContact C-N 3.26Å; S481-E483 PolarHBondContact O-N 2.72Å; E483-C486 WeakPolarHBondContact O-CB 3.31Å; E483-C486 PolarHBondContact O-N 2.97Å; E483-I487 WeakPolarHBondContact O-CG1 3.43Å; E483-I487 PolarHBondContact O-N 2.91Å; E483-K601 IonicContact OE1-NZ 3.69Å; E483-K601 PolarHBondContact OE1-NZ 2.68Å; E483-K601 IonicContact OE2-NZ 3.18Å; E483-K601 PolarHBondContact OE2-NZ 2.64Å |
| 484 | Q | 84.9 | Confident | 83.9 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 174.9 | -73.3 | 68.9 | 46.7 | 0 | 0 | 111.2 | E278 F477 N480 S481 C486 I487 N488 | E278-Q484 PolarHBondContact OE1-NE2 3.21Å; F477-Q484 HydrophobicContact CD2-CG 3.99Å; F477-Q484 HydrophobicContact CE2-CG 4.12Å; N480-Q484 HydrophobicContact CB-CB 3.95Å; N480-Q484 HydrophobicContact CB-CG 4.37Å; S481-Q484 PolarHBondContact O-N 3.25Å; Q484-C486 VanDerWaalsContact C-N 3.31Å; Q484-C486 PolarHBondContact O-N 3.35Å; Q484-I487 PolarHBondContact O-N 3.4Å; Q484-N488 VanDerWaalsContact O-CB 3.31Å; Q484-N488 WeakPolarHBondContact O-CB 3.48Å; Q484-N488 VanDerWaalsContact O-CG 3.24Å; Q484-N488 PolarHBondContact O-N 2.99Å; Q484-N488 PolarHBondContact O-ND2 3.31Å |
| 485 | L | 89.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 173.7 | 177.7 | 67.7 | 0 | 0 | 0 | 110.9 | S481 F482 N488 Y489 I533 I539 L540 L584 Y593 W598 | S481-L485 PolarHBondContact O-N 3.17Å; S481-L485 VanDerWaalsContact O-N 3.1Å; F482-L485 WeakPolarHBondContact O-CB 3.38Å; F482-L485 PolarHBondContact O-N 2.73Å; L485-N488 PolarHBondContact O-N 2.76Å; L485-Y489 WeakPolarHBondContact O-CB 3.28Å; L485-Y489 PolarHBondContact O-N 2.7Å; L485-I533 HydrophobicContact CD1-CD1 4.5Å; L485-I539 HydrophobicContact CD2-CG2 4.02Å; L485-L540 HydrophobicContact CD2-CD2 4.5Å; L485-L584 HydrophobicContact CD1-CD1 3.69Å; L485-Y593 HydrophobicContact CB-CD1 4.06Å; L485-Y593 HydrophobicContact CB-CE1 3.66Å; L485-Y593 HydrophobicContact CD1-CE1 4.03Å; L485-Y593 HydrophobicContact CD1-CE2 3.94Å; L485-Y593 HydrophobicContact CG-CE1 4.47Å; L485-W598 HydrophobicContact CB-CH2 4.21Å; L485-W598 HydrophobicContact CD2-CH2 3.57Å; L485-W598 HydrophobicContact CD2-CZ3 3.6Å; L485-W598 HydrophobicContact CG-CH2 4.44Å |
| 486 | C | 88.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 177.3 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | L276 F482 E483 Q484 N488 Y489 T490 Y660 | L276-C486 HydrophobicContact CD1-CB 4.31Å; L276-C486 HydrophobicContact CD2-CB 3.93Å; F482-C486 PolarHBondContact O-N 3.47Å; F482-C486 PolarHBondContact O-SG 3.16Å; E483-C486 WeakPolarHBondContact O-CB 3.31Å; E483-C486 PolarHBondContact O-N 2.97Å; Q484-C486 VanDerWaalsContact C-N 3.31Å; Q484-C486 PolarHBondContact O-N 3.35Å; C486-N488 PolarHBondContact O-N 3.41Å; C486-Y489 PolarHBondContact O-N 3.13Å; C486-T490 PolarHBondContact O-N 3.41Å; C486-T490 VanDerWaalsContact O-N 3.09Å; C486-Y660 HydrophobicContact CB-CD1 3.97Å; C486-Y660 HydrophobicContact CB-CE1 3.47Å; C486-Y660 VanDerWaalsContact CB-CE1 3.47Å; C486-Y660 WeakPolarHBondContact O-CE1 3.26Å; C486-Y660 PolarHBondContact O-OH 3.38Å |
| 487 | I | 84.5 | Confident | 85.5 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.6 | -47.7 | 177.6 | -67.3 | 167.2 | 0 | 0 | 0 | 111.1 | L276 A472 G473 E483 Q484 T490 N491 | L276-I487 HydrophobicContact CD2-CG1 3.79Å; A472-I487 HydrophobicContact CB-CD1 4.38Å; A472-I487 HydrophobicContact CB-CG1 4.4Å; A472-I487 HydrophobicContact CB-CG2 3.9Å; G473-I487 VanDerWaalsContact O-CG2 3.32Å; G473-I487 WeakPolarHBondContact O-CG2 3.4Å; E483-I487 WeakPolarHBondContact O-CG1 3.43Å; E483-I487 PolarHBondContact O-N 2.91Å; Q484-I487 PolarHBondContact O-N 3.4Å; I487-T490 PolarHBondContact O-N 3.38Å; I487-N491 PolarHBondContact O-N 2.77Å; I487-N491 VanDerWaalsContact O-N 3.08Å; I487-N491 PolarHBondContact O-ND2 3.46Å |
| 488 | N | 87.7 | Confident | 86 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | -178.8 | -71.3 | -14.3 | 0 | 0 | 0 | 111.7 | F474 E475 Q484 L485 C486 T490 N491 E492 Y593 | F474-N488 HydrophobicContact CD2-CB 4.18Å; F474-N488 HydrophobicContact CE2-CB 3.65Å; F474-N488 HydrophobicContact CZ-CB 3.91Å; E475-N488 PolarHBondContact N-OD1 3.22Å; E475-N488 PolarHBondContact O-ND2 2.85Å; E475-N488 PolarHBondContact O-OD1 2.91Å; Q484-N488 VanDerWaalsContact O-CB 3.31Å; Q484-N488 WeakPolarHBondContact O-CB 3.48Å; Q484-N488 VanDerWaalsContact O-CG 3.24Å; Q484-N488 PolarHBondContact O-N 2.99Å; Q484-N488 PolarHBondContact O-ND2 3.31Å; L485-N488 PolarHBondContact O-N 2.76Å; C486-N488 PolarHBondContact O-N 3.41Å; N488-T490 VanDerWaalsContact C-N 3.34Å; N488-T490 PolarHBondContact O-N 2.85Å; N488-N491 PolarHBondContact O-N 2.97Å; N488-E492 PolarHBondContact O-N 3.09Å; N488-Y593 PolarHBondContact ND2-OH 2.88Å |
| 489 | Y | 90.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 12.6 Ų | 12.6 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.3 | -40.2 | 173.1 | 164.5 | -115.3 | 0 | 0 | 0 | 112.8 | L485 C486 E492 K493 I530 I533 E534 L540 Y660 L664 | L485-Y489 WeakPolarHBondContact O-CB 3.28Å; L485-Y489 PolarHBondContact O-N 2.7Å; C486-Y489 PolarHBondContact O-N 3.13Å; Y489-E492 WeakPolarHBondContact O-CB 3.24Å; Y489-E492 PolarHBondContact O-N 3.18Å; Y489-K493 HydrophobicContact CE2-CD 4.15Å; Y489-K493 HydrophobicContact CE2-CG 4.23Å; Y489-K493 PolarHBondContact O-N 3.04Å; Y489-K493 WeakPolarHBondContact OH-CE 3.36Å; Y489-K493 PolarHBondContact OH-NZ 3.23Å; Y489-I530 HydrophobicContact CE2-CG2 4.26Å; Y489-I533 HydrophobicContact CD2-CB 4Å; Y489-I533 HydrophobicContact CD2-CD1 3.98Å; Y489-I533 HydrophobicContact CD2-CG2 3.6Å; Y489-I533 HydrophobicContact CE2-CB 4.28Å; Y489-I533 HydrophobicContact CE2-CG2 3.96Å; Y489-I533 HydrophobicContact CG-CD1 4.5Å; Y489-I533 HydrophobicContact CG-CG2 3.96Å; Y489-E534 HydrophobicContact CE2-CB 4.1Å; Y489-E534 PolarHBondContact OH-OE2 3.07Å; Y489-L540 HydrophobicContact CE1-CD1 4.33Å; Y489-Y660 AromaticContact CD1-CE1 3.96Å; Y489-Y660 HydrophobicContact CD1-CE1 3.96Å; Y489-Y660 HydrophobicContact CE1-CE1 4.42Å; Y489-L664 HydrophobicContact CD1-CD2 3.78Å; Y489-L664 HydrophobicContact CE1-CD2 3.31Å |
| 490 | T | 88.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -68.7 | -40.2 | 174.9 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | I471 C486 I487 N488 E492 K493 L494 Y660 L664 | I471-T490 HydrophobicContact CD1-CG2 3.22Å; I471-T490 HydrophobicContact CG1-CG2 4.37Å; C486-T490 PolarHBondContact O-N 3.41Å; C486-T490 VanDerWaalsContact O-N 3.09Å; I487-T490 PolarHBondContact O-N 3.38Å; N488-T490 VanDerWaalsContact C-N 3.34Å; N488-T490 PolarHBondContact O-N 2.85Å; T490-E492 VanDerWaalsContact C-N 3.28Å; T490-E492 PolarHBondContact O-N 3.33Å; T490-K493 PolarHBondContact O-N 2.84Å; T490-L494 HydrophobicContact CG2-CD1 4.03Å; T490-L494 HydrophobicContact CG2-CG 4.34Å; T490-L494 WeakPolarHBondContact O-CG 3.31Å; T490-L494 PolarHBondContact O-N 3.14Å; T490-Y660 WeakPolarHBondContact CB-OH 3.39Å; T490-Y660 VanDerWaalsContact OG1-CZ 3.26Å; T490-Y660 PolarHBondContact OG1-OH 2.91Å; T490-L664 HydrophobicContact CG2-CD1 3.55Å; T490-L664 WeakPolarHBondContact OG1-CD1 3.26Å; T490-L664 VanDerWaalsContact OG1-CD2 3.23Å; T490-L664 WeakPolarHBondContact OG1-CD2 3.03Å |
| 491 | N | 86.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.016 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 174.2 | -78 | -79.8 | 0 | 0 | 0 | 111.3 | A472 F474 I487 N488 L494 Q495 Y587 | A472-N491 PolarHBondContact O-ND2 2.75Å; A472-N491 PolarHBondContact O-OD1 3.49Å; F474-N491 HydrophobicContact CB-CB 4.44Å; F474-N491 HydrophobicContact CD2-CB 3.83Å; F474-N491 PolarHBondContact N-ND2 3.08Å; I487-N491 PolarHBondContact O-N 2.77Å; I487-N491 VanDerWaalsContact O-N 3.08Å; I487-N491 PolarHBondContact O-ND2 3.46Å; N488-N491 PolarHBondContact O-N 2.97Å; N491-L494 PolarHBondContact O-N 3.35Å; N491-Q495 WeakPolarHBondContact O-CB 3.28Å; N491-Q495 PolarHBondContact O-N 3.47Å; N491-Y587 HydrophobicContact CB-CE1 4.17Å |
| 492 | E | 88.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 173.1 | -158.6 | 79.7 | -147.8 | 0 | 0 | 111.4 | N488 Y489 T490 L494 Q495 Q496 L526 T529 I530 H586 Y587 | N488-E492 PolarHBondContact O-N 3.09Å; Y489-E492 WeakPolarHBondContact O-CB 3.24Å; Y489-E492 PolarHBondContact O-N 3.18Å; T490-E492 VanDerWaalsContact C-N 3.28Å; T490-E492 PolarHBondContact O-N 3.33Å; E492-L494 PolarHBondContact O-N 2.93Å; E492-Q495 PolarHBondContact O-N 2.93Å; E492-Q496 WeakPolarHBondContact O-CB 3.47Å; E492-Q496 PolarHBondContact O-N 3.43Å; E492-L526 HydrophobicContact CG-CB 4.37Å; E492-L526 WeakPolarHBondContact OE1-CD2 3.08Å; E492-T529 HydrophobicContact CG-CG2 4.21Å; E492-I530 HydrophobicContact CB-CG1 4.34Å; E492-I530 HydrophobicContact CG-CD1 4.36Å; E492-I530 HydrophobicContact CG-CG1 3.79Å; E492-H586 WeakPolarHBondContact OE2-CA 3.3Å; E492-H586 VanDerWaalsContact OE2-CB 3.31Å; E492-H586 WeakPolarHBondContact OE2-CB 3.43Å; E492-H586 IonicContact OE2-CG 3.11Å; E492-H586 IonicContact OE2-ND1 2.76Å; E492-H586 PolarHBondContact OE2-ND1 3.45Å; E492-Y587 PolarHBondContact OE1-N 2.96Å; E492-Y587 WeakPolarHBondContact OE2-CD1 3.34Å; E492-Y587 PolarHBondContact OE2-N 3.04Å |
| 493 | K | 90 | Very high | 86.5 | Confident | 24 Ų | 24 | 11.7 Ų | 11.7 | 10% | 0.104 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 176.4 | -83.6 | -164 | 166.8 | -178.8 | 0 | 113.5 | Y489 T490 Q496 L497 I530 E534 L664 M668 | Y489-K493 HydrophobicContact CE2-CD 4.15Å; Y489-K493 HydrophobicContact CE2-CG 4.23Å; Y489-K493 PolarHBondContact O-N 3.04Å; Y489-K493 WeakPolarHBondContact OH-CE 3.36Å; Y489-K493 PolarHBondContact OH-NZ 3.23Å; T490-K493 PolarHBondContact O-N 2.84Å; K493-Q496 PolarHBondContact O-N 2.97Å; K493-L497 WeakPolarHBondContact O-CB 3.47Å; K493-L497 PolarHBondContact O-N 2.98Å; K493-I530 HydrophobicContact CG-CD1 4.04Å; K493-I530 HydrophobicContact CG-CG1 4.28Å; K493-I530 HydrophobicContact CG-CG2 4.2Å; K493-E534 WeakPolarHBondContact CE-OE2 3.03Å; K493-E534 IonicContact NZ-OE1 3.66Å; K493-E534 IonicContact NZ-OE2 3.19Å; K493-E534 PolarHBondContact NZ-OE2 3.26Å; K493-L664 HydrophobicContact CD-CD2 3.71Å; K493-L664 HydrophobicContact CD-CG 4.14Å; K493-M668 HydrophobicContact CB-SD 4.38Å; K493-M668 HydrophobicContact CD-CG 4.39Å |
| 494 | L | 88.2 | Confident | 86.5 | Confident | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.2 | -37.3 | 176.3 | -73.5 | 171.7 | 0 | 0 | 0 | 111.9 | L178 L469 I471 T490 N491 E492 L497 F498 M668 L671 | L178-L494 HydrophobicContact CD2-CD2 4.18Å; L469-L494 HydrophobicContact CD2-CD1 3.95Å; L469-L494 HydrophobicContact CD2-CD2 3.54Å; L469-L494 HydrophobicContact CD2-CG 4.42Å; I471-L494 HydrophobicContact CD1-CD1 4.45Å; I471-L494 HydrophobicContact CG2-CD1 3.57Å; T490-L494 HydrophobicContact CG2-CD1 4.03Å; T490-L494 HydrophobicContact CG2-CG 4.34Å; T490-L494 WeakPolarHBondContact O-CG 3.31Å; T490-L494 PolarHBondContact O-N 3.14Å; N491-L494 PolarHBondContact O-N 3.35Å; E492-L494 PolarHBondContact O-N 2.93Å; L494-L497 WeakPolarHBondContact O-CB 2.99Å; L494-L497 PolarHBondContact O-N 2.98Å; L494-F498 PolarHBondContact O-N 2.75Å; L494-M668 HydrophobicContact CD2-CE 3.55Å; L494-M668 HydrophobicContact CD2-SD 4.33Å; L494-M668 HydrophobicContact CG-CE 4.05Å; L494-L671 HydrophobicContact CD2-CD1 3.99Å |
| 495 | Q | 87.7 | Confident | 86.4 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 172.7 | -173.6 | 61.1 | 33.2 | 0 | 0 | 110.9 | N491 E492 L497 F498 N499 L526 Y587 N705 | N491-Q495 WeakPolarHBondContact O-CB 3.28Å; N491-Q495 PolarHBondContact O-N 3.47Å; E492-Q495 PolarHBondContact O-N 2.93Å; Q495-L497 VanDerWaalsContact C-N 3.34Å; Q495-L497 PolarHBondContact O-N 3.2Å; Q495-F498 WeakPolarHBondContact O-CB 3.44Å; Q495-F498 PolarHBondContact O-N 2.86Å; Q495-N499 PolarHBondContact NE2-OD1 3.34Å; Q495-N499 VanDerWaalsContact NE2-OD1 3.08Å; Q495-N499 VanDerWaalsContact O-CG 3.28Å; Q495-N499 PolarHBondContact O-N 3.3Å; Q495-N499 PolarHBondContact O-OD1 2.88Å; Q495-L526 HydrophobicContact CB-CD1 3.67Å; Q495-L526 HydrophobicContact CG-CD1 3.46Å; Q495-L526 VanDerWaalsContact CG-CD1 3.46Å; Q495-Y587 HydrophobicContact CB-CD1 4.18Å; Q495-Y587 HydrophobicContact CB-CE1 4.23Å; Q495-Y587 HydrophobicContact CB-CG 4.31Å; Q495-Y587 HydrophobicContact CG-CD1 4.4Å; Q495-Y587 HydrophobicContact CG-CD2 3.99Å; Q495-Y587 HydrophobicContact CG-CE2 4.32Å; Q495-Y587 HydrophobicContact CG-CG 4.03Å; Q495-N705 PolarHBondContact NE2-O 2.89Å |
| 496 | Q | 89.3 | Confident | 86 | Confident | 27 Ų | 27 | 16.3 Ų | 16.3 | 13% | 0.126 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 174 | -174.6 | 65.6 | 2.9 | 0 | 0 | 112.2 | E492 K493 F498 N499 H500 D525 L526 I530 | E492-Q496 WeakPolarHBondContact O-CB 3.47Å; E492-Q496 PolarHBondContact O-N 3.43Å; K493-Q496 PolarHBondContact O-N 2.97Å; Q496-F498 VanDerWaalsContact C-N 3.31Å; Q496-F498 PolarHBondContact O-N 2.93Å; Q496-N499 PolarHBondContact O-N 2.9Å; Q496-H500 WeakPolarHBondContact O-CB 3.23Å; Q496-H500 PolarHBondContact O-N 2.96Å; Q496-D525 PolarHBondContact NE2-OD1 3.47Å; Q496-L526 HydrophobicContact CB-CB 4.36Å; Q496-I530 HydrophobicContact CB-CD1 3.48Å; Q496-I530 VanDerWaalsContact CB-CD1 3.48Å; Q496-I530 HydrophobicContact CG-CD1 3.76Å |
| 497 | L | 88.7 | Confident | 85.8 | Confident | 10 Ų | 10 | 16.3 Ų | 16.3 | 5% | 0.052 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 172.4 | 177.9 | 66 | 0 | 0 | 0 | 111 | L178 K493 L494 Q495 T501 L671 R672 | L178-L497 HydrophobicContact CD2-CD2 4.12Å; K493-L497 WeakPolarHBondContact O-CB 3.47Å; K493-L497 PolarHBondContact O-N 2.98Å; L494-L497 WeakPolarHBondContact O-CB 2.99Å; L494-L497 PolarHBondContact O-N 2.98Å; Q495-L497 VanDerWaalsContact C-N 3.34Å; Q495-L497 PolarHBondContact O-N 3.2Å; L497-T501 VanDerWaalsContact O-CB 3.32Å; L497-T501 WeakPolarHBondContact O-CB 3.1Å; L497-T501 PolarHBondContact O-N 3.4Å; L497-T501 PolarHBondContact O-OG1 2.6Å; L497-L671 HydrophobicContact CD2-CB 3.87Å; L497-L671 HydrophobicContact CD2-CD1 4.04Å; L497-R672 HydrophobicContact CD1-CG 3.9Å |
| 498 | F | 87.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.9 | -49.1 | 173.1 | 171.2 | -95 | 0 | 0 | 0 | 111.8 | F124 L494 Q495 Q496 H500 T501 M502 F678 R680 | F124-F498 HydrophobicContact CD1-CE2 4.02Å; F124-F498 HydrophobicContact CD1-CZ 4.2Å; F124-F498 HydrophobicContact CE1-CE2 4.3Å; F124-F498 AromaticContact CE1-CZ 4Å; F124-F498 HydrophobicContact CE1-CZ 4Å; F124-F498 HydrophobicContact CG-CE2 4.3Å; F124-F498 HydrophobicContact CZ-CZ 4.31Å; L494-F498 PolarHBondContact O-N 2.75Å; Q495-F498 WeakPolarHBondContact O-CB 3.44Å; Q495-F498 PolarHBondContact O-N 2.86Å; Q496-F498 VanDerWaalsContact C-N 3.31Å; Q496-F498 PolarHBondContact O-N 2.93Å; F498-H500 VanDerWaalsContact C-N 3.32Å; F498-H500 PolarHBondContact O-N 3.38Å; F498-T501 PolarHBondContact O-N 2.94Å; F498-M502 HydrophobicContact CD1-CG 4.38Å; F498-M502 HydrophobicContact CD2-CG 3.61Å; F498-M502 HydrophobicContact CE1-CG 4.24Å; F498-M502 HydrophobicContact CE2-CG 3.46Å; F498-M502 VanDerWaalsContact CE2-CG 3.46Å; F498-M502 HydrophobicContact CE2-SD 4.25Å; F498-M502 HydrophobicContact CG-CG 4.09Å; F498-M502 HydrophobicContact CZ-CG 3.8Å; F498-M502 VanDerWaalsContact O-CB 3.22Å; F498-M502 WeakPolarHBondContact O-CB 2.88Å; F498-M502 WeakPolarHBondContact O-CG 3.24Å; F498-M502 PolarHBondContact O-N 3.29Å; F498-F678 HydrophobicContact CB-CD1 4.44Å; F498-F678 HydrophobicContact CB-CE1 3.85Å; F498-F678 HydrophobicContact CB-CZ 3.99Å; F498-F678 HydrophobicContact CD2-CB 4.38Å; F498-F678 AromaticContact CD2-CD1 3.83Å; F498-F678 HydrophobicContact CD2-CD1 3.83Å; F498-F678 AromaticContact CD2-CD2 3.79Å; F498-F678 HydrophobicContact CD2-CD2 3.79Å; F498-F678 AromaticContact CD2-CE1 3.96Å; F498-F678 HydrophobicContact CD2-CE1 3.96Å; F498-F678 AromaticContact CD2-CE2 3.92Å; F498-F678 HydrophobicContact CD2-CE2 3.92Å; F498-F678 AromaticContact CD2-CG 3.74Å; F498-F678 HydrophobicContact CD2-CG 3.74Å; F498-F678 HydrophobicContact CD2-CZ 4.01Å; F498-F678 HydrophobicContact CE2-CB 4.49Å; F498-F678 HydrophobicContact CE2-CD2 4.3Å; F498-F678 HydrophobicContact CE2-CG 4.27Å; F498-F678 HydrophobicContact CG-CE1 4.42Å; F498-F678 HydrophobicContact CG-CZ 4.49Å; F498-R680 VanDerWaalsContact CD2-NH2 3.29Å |
| 499 | N | 85.1 | Confident | 85.7 | Confident | 7 Ų | 7 | 20.1 Ų | 20.1 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 179.9 | -65.5 | -9.9 | 0 | 0 | 0 | 110.8 | Q495 Q496 F503 L524 | Q495-N499 PolarHBondContact NE2-OD1 3.34Å; Q495-N499 VanDerWaalsContact NE2-OD1 3.08Å; Q495-N499 VanDerWaalsContact O-CG 3.28Å; Q495-N499 PolarHBondContact O-N 3.3Å; Q495-N499 PolarHBondContact O-OD1 2.88Å; Q496-N499 PolarHBondContact O-N 2.9Å; N499-F503 HydrophobicContact CB-CD2 3.99Å; N499-F503 HydrophobicContact CB-CE2 4.25Å; N499-F503 WeakPolarHBondContact O-CA 2.8Å; N499-F503 VanDerWaalsContact O-CB 3.23Å; N499-F503 WeakPolarHBondContact O-CB 2.79Å; N499-F503 WeakPolarHBondContact O-CD2 2.8Å; N499-F503 PolarHBondContact O-N 2.62Å; N499-L524 PolarHBondContact ND2-O 3.45Å |
| 500 | H | 85.2 | Confident | 85.6 | Confident | 61 Ų | 61 | 20.1 Ų | 20.1 | 28% | 0.282 | 10% | 0.101 | S | C | . | . | I | π-helix | trans | -63.6 | -46.4 | 176.9 | -176.3 | 69.6 | 0 | 0 | 0 | 111.9 | Q496 F498 V504 L505 | Q496-H500 WeakPolarHBondContact O-CB 3.23Å; Q496-H500 PolarHBondContact O-N 2.96Å; F498-H500 VanDerWaalsContact C-N 3.32Å; F498-H500 PolarHBondContact O-N 3.38Å; H500-V504 CarbonylContact O-C 3.49Å; H500-V504 WeakPolarHBondContact O-CA 3.42Å; H500-V504 WeakPolarHBondContact O-CB 3.2Å; H500-V504 PolarHBondContact O-N 2.59Å; H500-L505 PolarHBondContact O-N 2.84Å |
| 501 | T | 83.9 | Confident | 85.5 | Confident | 30 Ų | 30 | 25.6 Ų | 25.6 | 18% | 0.184 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -69.5 | -47.4 | -178.6 | -50.7 | 0 | 0 | 0 | 0 | 112 | L497 F498 L505 P676 | L497-T501 VanDerWaalsContact O-CB 3.32Å; L497-T501 WeakPolarHBondContact O-CB 3.1Å; L497-T501 PolarHBondContact O-N 3.4Å; L497-T501 PolarHBondContact O-OG1 2.6Å; F498-T501 PolarHBondContact O-N 2.94Å; T501-L505 HydrophobicContact CG2-CD1 4.45Å; T501-P676 HydrophobicContact CG2-CG 3.66Å |
| 502 | M | 78.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.054 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -73.9 | -34.3 | -175.2 | -71.4 | -63.3 | -53.7 | 0 | 0 | 112.7 | L123 F124 F498 I713 | L123-M502 HydrophobicContact CB-CE 4.12Å; L123-M502 HydrophobicContact CB-SD 4.37Å; L123-M502 HydrophobicContact CD1-CE 3.98Å; L123-M502 HydrophobicContact CD1-SD 4.32Å; F124-M502 HydrophobicContact CD1-CE 4.08Å; F124-M502 HydrophobicContact CE1-CE 4.25Å; F498-M502 HydrophobicContact CD1-CG 4.38Å; F498-M502 HydrophobicContact CD2-CG 3.61Å; F498-M502 HydrophobicContact CE1-CG 4.24Å; F498-M502 HydrophobicContact CE2-CG 3.46Å; F498-M502 VanDerWaalsContact CE2-CG 3.46Å; F498-M502 HydrophobicContact CE2-SD 4.25Å; F498-M502 HydrophobicContact CG-CG 4.09Å; F498-M502 HydrophobicContact CZ-CG 3.8Å; F498-M502 VanDerWaalsContact O-CB 3.22Å; F498-M502 WeakPolarHBondContact O-CB 2.88Å; F498-M502 WeakPolarHBondContact O-CG 3.24Å; F498-M502 PolarHBondContact O-N 3.29Å; M502-I713 HydrophobicContact CE-CG2 4.36Å; M502-I713 WeakPolarHBondContact O-CD1 2.96Å |
| 503 | F | 80.7 | Confident | 85.7 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -109.5 | -51.3 | -173.6 | -50.4 | -54.9 | 0 | 0 | 0 | 113.5 | N499 Q507 F522 L524 E709 I713 | N499-F503 HydrophobicContact CB-CD2 3.99Å; N499-F503 HydrophobicContact CB-CE2 4.25Å; N499-F503 WeakPolarHBondContact O-CA 2.8Å; N499-F503 VanDerWaalsContact O-CB 3.23Å; N499-F503 WeakPolarHBondContact O-CB 2.79Å; N499-F503 WeakPolarHBondContact O-CD2 2.8Å; N499-F503 PolarHBondContact O-N 2.62Å; F503-Q507 WeakPolarHBondContact O-CB 3.13Å; F503-Q507 WeakPolarHBondContact O-CG 3.24Å; F503-Q507 PolarHBondContact O-N 3.46Å; F503-Q507 PolarHBondContact O-NE2 3.44Å; F503-F522 HydrophobicContact CB-CD2 4.33Å; F503-F522 AromaticContact CD1-CD2 3.89Å; F503-F522 HydrophobicContact CD1-CD2 3.89Å; F503-F522 HydrophobicContact CD1-CE2 4.06Å; F503-F522 HydrophobicContact CD1-CG 4.41Å; F503-F522 HydrophobicContact CE1-CD2 4.48Å; F503-F522 HydrophobicContact CG-CD2 4.16Å; F503-L524 HydrophobicContact CE2-CD1 3.86Å; F503-L524 HydrophobicContact CZ-CD1 4.19Å; F503-E709 HydrophobicContact CE1-CB 4.02Å; F503-E709 WeakPolarHBondContact CE1-O 3.19Å; F503-E709 HydrophobicContact CZ-CB 3.66Å; F503-I713 HydrophobicContact CB-CD1 4.42Å; F503-I713 HydrophobicContact CD1-CB 4.07Å; F503-I713 HydrophobicContact CD1-CD1 3.91Å; F503-I713 HydrophobicContact CD1-CG2 3.77Å; F503-I713 HydrophobicContact CE1-CB 4.23Å; F503-I713 HydrophobicContact CE1-CG2 3.73Å |
| 504 | V | 82.7 | Confident | 85.5 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 29% | 0.291 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -77.5 | -55.1 | -171.1 | -179 | 0 | 0 | 0 | 0 | 110.7 | H500 E506 Q507 E508 | H500-V504 CarbonylContact O-C 3.49Å; H500-V504 WeakPolarHBondContact O-CA 3.42Å; H500-V504 WeakPolarHBondContact O-CB 3.2Å; H500-V504 PolarHBondContact O-N 2.59Å; V504-E506 VanDerWaalsContact C-N 3.29Å; V504-E506 PolarHBondContact O-N 2.92Å; V504-Q507 PolarHBondContact O-N 2.9Å; V504-E508 HydrophobicContact CG1-CG 4.21Å; V504-E508 WeakPolarHBondContact CG1-OE1 3.33Å; V504-E508 WeakPolarHBondContact O-CB 3.49Å; V504-E508 WeakPolarHBondContact O-CG 3.33Å; V504-E508 PolarHBondContact O-N 2.89Å |
| 505 | L | 82.7 | Confident | 85.6 | Confident | 70 Ų | 70 | 35.5 Ų | 35.5 | 37% | 0.366 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -62.1 | -36.5 | -179.3 | -69.4 | -177.7 | 0 | 0 | 0 | 112.5 | H500 T501 E509 | H500-L505 PolarHBondContact O-N 2.84Å; T501-L505 HydrophobicContact CG2-CD1 4.45Å; L505-E509 WeakPolarHBondContact O-CB 3.4Å; L505-E509 PolarHBondContact O-N 2.94Å |
| 506 | E | 79.8 | Confident | 85.4 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 177.6 | -169.3 | 63.4 | -163.7 | 0 | 0 | 111.4 | V504 E509 Y510 I713 R721 | V504-E506 VanDerWaalsContact C-N 3.29Å; V504-E506 PolarHBondContact O-N 2.92Å; E506-E509 PolarHBondContact O-N 3.38Å; E506-Y510 HydrophobicContact CG-CE1 4.26Å; E506-Y510 HydrophobicContact CG-CE2 4.15Å; E506-Y510 WeakPolarHBondContact CG-OH 3.33Å; E506-Y510 WeakPolarHBondContact O-CD1 3.5Å; E506-Y510 PolarHBondContact O-N 3.44Å; E506-Y510 WeakPolarHBondContact OE1-CE1 3Å; E506-Y510 VanDerWaalsContact OE1-CZ 3.23Å; E506-Y510 PolarHBondContact OE1-OH 2.81Å; E506-I713 HydrophobicContact CB-CD1 4.47Å; E506-R721 IonicContact OE2-NH1 3.71Å |
| 507 | Q | 85 | Confident | 85.1 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74 | -34.6 | 177.5 | -66.7 | -172.1 | 73.4 | 0 | 0 | 113.1 | F503 V504 E509 Y510 Q511 W517 F519 I520 I713 | F503-Q507 WeakPolarHBondContact O-CB 3.13Å; F503-Q507 WeakPolarHBondContact O-CG 3.24Å; F503-Q507 PolarHBondContact O-N 3.46Å; F503-Q507 PolarHBondContact O-NE2 3.44Å; V504-Q507 PolarHBondContact O-N 2.9Å; Q507-E509 VanDerWaalsContact C-N 3.3Å; Q507-Y510 WeakPolarHBondContact O-CB 3.41Å; Q507-Y510 PolarHBondContact O-N 2.83Å; Q507-Q511 WeakPolarHBondContact O-CG 3.35Å; Q507-Q511 PolarHBondContact O-N 3.41Å; Q507-W517 HydrophobicContact CG-CZ2 4.37Å; Q507-F519 HydrophobicContact CB-CD2 4.12Å; Q507-F519 HydrophobicContact CB-CE2 4.16Å; Q507-I520 PolarHBondContact NE2-O 2.89Å; Q507-I520 PolarHBondContact OE1-O 3.41Å; Q507-I713 HydrophobicContact CG-CD1 4.07Å |
| 508 | E | 85.1 | Confident | 84.7 | Confident | 76 Ų | 76 | 51 Ų | 51 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 172.2 | -77.7 | -177.9 | -179.5 | 0 | 0 | 111.4 | V504 Y510 Q511 R512 | V504-E508 HydrophobicContact CG1-CG 4.21Å; V504-E508 WeakPolarHBondContact CG1-OE1 3.33Å; V504-E508 WeakPolarHBondContact O-CB 3.49Å; V504-E508 WeakPolarHBondContact O-CG 3.33Å; V504-E508 PolarHBondContact O-N 2.89Å; E508-Y510 VanDerWaalsContact C-N 3.35Å; E508-Q511 PolarHBondContact O-N 2.91Å; E508-R512 VanDerWaalsContact O-CB 3.28Å; E508-R512 WeakPolarHBondContact O-CB 2.86Å; E508-R512 PolarHBondContact O-N 3.48Å |
| 509 | E | 84.8 | Confident | 84.4 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 174 | -173.3 | 73.3 | 172.7 | 0 | 0 | 111.1 | L505 E506 Q507 Q511 R512 E513 K770 F772 | L505-E509 WeakPolarHBondContact O-CB 3.4Å; L505-E509 PolarHBondContact O-N 2.94Å; E506-E509 PolarHBondContact O-N 3.38Å; Q507-E509 VanDerWaalsContact C-N 3.3Å; E509-Q511 VanDerWaalsContact C-N 3.33Å; E509-Q511 PolarHBondContact O-N 2.79Å; E509-R512 PolarHBondContact O-N 2.62Å; E509-R512 IonicContact OE2-CZ 2.73Å; E509-R512 IonicContact OE2-NH1 3.07Å; E509-R512 PolarHBondContact OE2-NH1 2.79Å; E509-E513 WeakPolarHBondContact O-CB 3.11Å; E509-E513 PolarHBondContact O-N 2.85Å; E509-K770 IonicContact OE1-NZ 2.7Å; E509-K770 PolarHBondContact OE1-NZ 2.56Å; E509-F772 HydrophobicContact CG-CE1 4.25Å; E509-F772 HydrophobicContact CG-CZ 4.04Å |
| 510 | Y | 89.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.4 | -63.4 | -15.4 | 0 | 0 | 0 | 112.1 | E506 Q507 E508 G514 I515 W517 F718 F772 | E506-Y510 HydrophobicContact CG-CE1 4.26Å; E506-Y510 HydrophobicContact CG-CE2 4.15Å; E506-Y510 WeakPolarHBondContact CG-OH 3.33Å; E506-Y510 WeakPolarHBondContact O-CD1 3.5Å; E506-Y510 PolarHBondContact O-N 3.44Å; E506-Y510 WeakPolarHBondContact OE1-CE1 3Å; E506-Y510 VanDerWaalsContact OE1-CZ 3.23Å; E506-Y510 PolarHBondContact OE1-OH 2.81Å; Q507-Y510 WeakPolarHBondContact O-CB 3.41Å; Q507-Y510 PolarHBondContact O-N 2.83Å; E508-Y510 VanDerWaalsContact C-N 3.35Å; Y510-G514 PolarHBondContact O-N 3.28Å; Y510-G514 VanDerWaalsContact O-N 3.07Å; Y510-I515 HydrophobicContact CD1-CD1 3.35Å; Y510-I515 HydrophobicContact CD1-CG1 4.25Å; Y510-I515 HydrophobicContact CD2-CD1 4.09Å; Y510-I515 HydrophobicContact CE1-CD1 4.09Å; Y510-I515 HydrophobicContact CG-CD1 3.38Å; Y510-I515 HydrophobicContact CG-CG1 3.99Å; Y510-I515 WeakPolarHBondContact O-CG1 3.38Å; Y510-I515 PolarHBondContact O-N 2.89Å; Y510-I515 VanDerWaalsContact O-N 3.08Å; Y510-W517 HydrophobicContact CD2-CB 4.33Å; Y510-W517 AromaticContact CD2-CD1 3.86Å; Y510-W517 AromaticContact CD2-CD2 3.68Å; Y510-W517 HydrophobicContact CD2-CD2 3.68Å; Y510-W517 AromaticContact CD2-CE2 3.86Å; Y510-W517 HydrophobicContact CD2-CE3 4.26Å; Y510-W517 AromaticContact CD2-CG 3.7Å; Y510-W517 HydrophobicContact CD2-CG 3.7Å; Y510-W517 AromaticContact CD2-NE1 3.96Å; Y510-W517 HydrophobicContact CE2-CD2 4.17Å; Y510-W517 HydrophobicContact CE2-CE3 4.4Å; Y510-W517 HydrophobicContact CE2-CZ2 4.44Å; Y510-W517 HydrophobicContact CG-CG 4.38Å; Y510-F718 HydrophobicContact CE1-CB 4.43Å; Y510-F718 PolarHBondContact OH-N 2.84Å; Y510-F718 PolarHBondContact OH-O 3.45Å; Y510-F772 AromaticContact CD1-CD1 3.92Å; Y510-F772 HydrophobicContact CD1-CD1 3.92Å; Y510-F772 AromaticContact CD1-CE1 3.62Å; Y510-F772 HydrophobicContact CD1-CE1 3.62Å; Y510-F772 HydrophobicContact CD1-CZ 4.24Å; Y510-F772 AromaticContact CE1-CD1 3.62Å; Y510-F772 HydrophobicContact CE1-CD1 3.62Å; Y510-F772 AromaticContact CE1-CE1 3.61Å; Y510-F772 HydrophobicContact CE1-CE1 3.61Å |
| 511 | Q | 87 | Confident | 83.3 | Confident | 115 Ų | 115 | 61.8 Ų | 61.8 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 175.5 | -70.3 | 177.9 | 6.2 | 0 | 0 | 112.1 | Q507 E508 E509 E513 G514 | Q507-Q511 WeakPolarHBondContact O-CG 3.35Å; Q507-Q511 PolarHBondContact O-N 3.41Å; E508-Q511 PolarHBondContact O-N 2.91Å; E509-Q511 VanDerWaalsContact C-N 3.33Å; E509-Q511 PolarHBondContact O-N 2.79Å; Q511-E513 VanDerWaalsContact C-N 3.33Å; Q511-E513 PolarHBondContact O-N 3Å; Q511-G514 PolarHBondContact O-N 3.43Å |
| 512 | R | 88.4 | Confident | 82.6 | Confident | 163 Ų | 163 | 61.8 Ų | 61.8 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 179 | -172.8 | -175.7 | -61.3 | 149.8 | -1.8 | 112 | E508 E509 G514 | E508-R512 VanDerWaalsContact O-CB 3.28Å; E508-R512 WeakPolarHBondContact O-CB 2.86Å; E508-R512 PolarHBondContact O-N 3.48Å; E509-R512 PolarHBondContact O-N 2.62Å; E509-R512 IonicContact OE2-CZ 2.73Å; E509-R512 IonicContact OE2-NH1 3.07Å; E509-R512 PolarHBondContact OE2-NH1 2.79Å; R512-G514 PolarHBondContact O-N 2.93Å |
| 513 | E | 90.8 | Very high | 82 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.1 | 175.8 | -73.2 | -70.2 | 147.7 | 0 | 0 | 113.1 | E509 Q511 I515 G767 Q768 S769 K770 F772 | E509-E513 WeakPolarHBondContact O-CB 3.11Å; E509-E513 PolarHBondContact O-N 2.85Å; Q511-E513 VanDerWaalsContact C-N 3.33Å; Q511-E513 PolarHBondContact O-N 3Å; E513-I515 VanDerWaalsContact C-N 3.27Å; E513-I515 HydrophobicContact CB-CG2 4.3Å; E513-I515 PolarHBondContact O-N 2.79Å; E513-G767 CarbonylContact O-C 3.45Å; E513-G767 VanDerWaalsContact O-C 3.32Å; E513-G767 WeakPolarHBondContact O-CA 3.43Å; E513-Q768 WeakPolarHBondContact O-CG 3.23Å; E513-Q768 PolarHBondContact O-N 3.37Å; E513-Q768 PolarHBondContact OE2-N 2.75Å; E513-S769 PolarHBondContact OE1-OG 3.37Å; E513-S769 PolarHBondContact OE2-N 2.76Å; E513-S769 PolarHBondContact OE2-OG 2.82Å; E513-K770 PolarHBondContact OE2-N 3.28Å; E513-K770 VanDerWaalsContact OE2-N 3.07Å; E513-F772 HydrophobicContact CB-CE2 3.55Å; E513-F772 HydrophobicContact CB-CZ 3.85Å; E513-F772 HydrophobicContact CG-CE2 3.63Å; E513-F772 HydrophobicContact CG-CZ 3.66Å |
| 514 | G | 86.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 32.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y510 Q511 R512 | Y510-G514 PolarHBondContact O-N 3.28Å; Y510-G514 VanDerWaalsContact O-N 3.07Å; Q511-G514 PolarHBondContact O-N 3.43Å; R512-G514 PolarHBondContact O-N 2.93Å |
| 515 | I | 88.9 | Confident | 81.3 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | trans | -77.4 | 153.2 | 175.3 | 70.3 | 170 | 0 | 0 | 0 | 110.5 | Y510 E513 W517 F718 R765 F772 | Y510-I515 HydrophobicContact CD1-CD1 3.35Å; Y510-I515 HydrophobicContact CD1-CG1 4.25Å; Y510-I515 HydrophobicContact CD2-CD1 4.09Å; Y510-I515 HydrophobicContact CE1-CD1 4.09Å; Y510-I515 HydrophobicContact CG-CD1 3.38Å; Y510-I515 HydrophobicContact CG-CG1 3.99Å; Y510-I515 WeakPolarHBondContact O-CG1 3.38Å; Y510-I515 PolarHBondContact O-N 2.89Å; Y510-I515 VanDerWaalsContact O-N 3.08Å; E513-I515 VanDerWaalsContact C-N 3.27Å; E513-I515 HydrophobicContact CB-CG2 4.3Å; E513-I515 PolarHBondContact O-N 2.79Å; I515-W517 HydrophobicContact CG1-CB 4.17Å; I515-W517 PolarHBondContact O-N 2.88Å; I515-F718 HydrophobicContact CD1-CD2 4.15Å; I515-R765 HydrophobicContact CB-CB 4.09Å; I515-R765 HydrophobicContact CD1-CB 4.33Å; I515-R765 HydrophobicContact CG2-CB 4.07Å; I515-F772 HydrophobicContact CD1-CG 4.36Å; I515-F772 HydrophobicContact CG2-CD2 3.73Å; I515-F772 HydrophobicContact CG2-CE2 3.93Å | ||
| 516 | E | 83.3 | Confident | 81.5 | Confident | 154 Ų | 154 | 65.6 Ų | 65.6 | 72% | 0.72 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -66.8 | 97.8 | 172.7 | -173.5 | -171.7 | -163 | 0 | 0 | 110.1 | R765 | E516-R765 IonicContact OE2-NE 2.75Å; E516-R765 IonicContact OE2-NH2 2.83Å |
| 517 | W | 83.9 | Confident | 82 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | trans | -143.6 | 133 | -179.7 | 179.7 | -105.6 | 0 | 0 | 0 | 110.5 | Q507 Y510 I515 I520 Q716 | Q507-W517 HydrophobicContact CG-CZ2 4.37Å; Y510-W517 HydrophobicContact CD2-CB 4.33Å; Y510-W517 AromaticContact CD2-CD1 3.86Å; Y510-W517 AromaticContact CD2-CD2 3.68Å; Y510-W517 HydrophobicContact CD2-CD2 3.68Å; Y510-W517 AromaticContact CD2-CE2 3.86Å; Y510-W517 HydrophobicContact CD2-CE3 4.26Å; Y510-W517 AromaticContact CD2-CG 3.7Å; Y510-W517 HydrophobicContact CD2-CG 3.7Å; Y510-W517 AromaticContact CD2-NE1 3.96Å; Y510-W517 HydrophobicContact CE2-CD2 4.17Å; Y510-W517 HydrophobicContact CE2-CE3 4.4Å; Y510-W517 HydrophobicContact CE2-CZ2 4.44Å; Y510-W517 HydrophobicContact CG-CG 4.38Å; I515-W517 HydrophobicContact CG1-CB 4.17Å; I515-W517 PolarHBondContact O-N 2.88Å; W517-I520 HydrophobicContact CH2-CD1 4Å; W517-I520 HydrophobicContact CZ2-CD1 3.98Å; W517-I520 HydrophobicContact CZ2-CG1 4.28Å; W517-Q716 HydrophobicContact CH2-CB 4.07Å; W517-Q716 WeakPolarHBondContact CZ3-O 3.2Å | ||
| 518 | Q | 80.4 | Confident | 82.2 | Confident | 160 Ų | 160 | 69.7 Ų | 69.7 | 75% | 0.748 | 36% | 0.358 | S | S | * | . | trans | -93.2 | 127.5 | 170.6 | -65.4 | -177.5 | 4.3 | 0 | 0 | 108.4 | I520 | Q518-I520 WeakPolarHBondContact O-CG1 3.24Å; Q518-I520 PolarHBondContact O-N 2.96Å | ||
| 519 | F | 80.1 | Confident | 82.5 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | trans | -63.7 | 121 | 179.2 | -174.3 | -90.5 | 0 | 0 | 0 | 110.1 | Q507 D521 | Q507-F519 HydrophobicContact CB-CD2 4.12Å; Q507-F519 HydrophobicContact CB-CE2 4.16Å; F519-D521 HydrophobicContact CE1-CB 4.14Å | ||
| 520 | I | 74.9 | Confident | 82.8 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | trans | -106.1 | 111.6 | 178.3 | -57.6 | 175.2 | 0 | 0 | 0 | 107.4 | Q507 W517 Q518 F522 | Q507-I520 PolarHBondContact NE2-O 2.89Å; Q507-I520 PolarHBondContact OE1-O 3.41Å; W517-I520 HydrophobicContact CH2-CD1 4Å; W517-I520 HydrophobicContact CZ2-CD1 3.98Å; W517-I520 HydrophobicContact CZ2-CG1 4.28Å; Q518-I520 WeakPolarHBondContact O-CG1 3.24Å; Q518-I520 PolarHBondContact O-N 2.96Å; I520-F522 HydrophobicContact CB-CE2 4.11Å; I520-F522 HydrophobicContact CB-CZ 4.25Å; I520-F522 HydrophobicContact CG2-CD1 4.47Å; I520-F522 HydrophobicContact CG2-CD2 4.37Å; I520-F522 HydrophobicContact CG2-CE1 4.12Å; I520-F522 HydrophobicContact CG2-CE2 3.98Å; I520-F522 HydrophobicContact CG2-CZ 3.85Å; I520-F522 WeakPolarHBondContact O-CD2 3Å; I520-F522 WeakPolarHBondContact O-CE2 3.32Å | ||
| 521 | D | 73 | Confident | 82.9 | Confident | 127 Ų | 127 | 67.2 Ų | 67.2 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | trans | -81.8 | 116.3 | 169.9 | -172.6 | 0.4 | 0 | 0 | 0 | 109.5 | F519 G523 | F519-D521 HydrophobicContact CE1-CB 4.14Å; D521-G523 VanDerWaalsContact C-N 3.31Å; D521-G523 PolarHBondContact OD1-N 3.41Å | ||
| 522 | F | 69.3 | Low | 83.1 | Confident | 31 Ų | 31 | 62 Ų | 62 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | trans | -84.2 | -4 | 177.8 | -65.1 | -89.1 | 0 | 0 | 0 | 112.8 | F503 I520 L524 E709 R712 I713 | F503-F522 HydrophobicContact CB-CD2 4.33Å; F503-F522 AromaticContact CD1-CD2 3.89Å; F503-F522 HydrophobicContact CD1-CD2 3.89Å; F503-F522 HydrophobicContact CD1-CE2 4.06Å; F503-F522 HydrophobicContact CD1-CG 4.41Å; F503-F522 HydrophobicContact CE1-CD2 4.48Å; F503-F522 HydrophobicContact CG-CD2 4.16Å; I520-F522 HydrophobicContact CB-CE2 4.11Å; I520-F522 HydrophobicContact CB-CZ 4.25Å; I520-F522 HydrophobicContact CG2-CD1 4.47Å; I520-F522 HydrophobicContact CG2-CD2 4.37Å; I520-F522 HydrophobicContact CG2-CE1 4.12Å; I520-F522 HydrophobicContact CG2-CE2 3.98Å; I520-F522 HydrophobicContact CG2-CZ 3.85Å; I520-F522 WeakPolarHBondContact O-CD2 3Å; I520-F522 WeakPolarHBondContact O-CE2 3.32Å; F522-L524 PolarHBondContact O-N 2.85Å; F522-E709 HydrophobicContact CB-CG 4.42Å; F522-E709 HydrophobicContact CD1-CB 3.98Å; F522-E709 HydrophobicContact CD1-CG 4.11Å; F522-E709 HydrophobicContact CG-CB 4.47Å; F522-R712 HydrophobicContact CE1-CB 4.18Å; F522-R712 HydrophobicContact CE1-CG 4.21Å; F522-I713 HydrophobicContact CE2-CB 4.28Å; F522-I713 HydrophobicContact CE2-CD1 3.91Å; F522-I713 HydrophobicContact CE2-CG1 4.34Å; F522-I713 HydrophobicContact CZ-CB 3.94Å; F522-I713 HydrophobicContact CZ-CD1 4.36Å; F522-I713 HydrophobicContact CZ-CG1 4.29Å | ||
| 523 | G | 65.6 | Low | 83.3 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 64% | 0.639 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 68.3 | 14.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | D521 D525 | D521-G523 VanDerWaalsContact C-N 3.31Å; D521-G523 PolarHBondContact OD1-N 3.41Å; G523-D525 PolarHBondContact O-N 2.78Å |
| 524 | L | 70 | Confident | 83.2 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | trans | -96.4 | 34.7 | -176.6 | -67.2 | -180 | 0 | 0 | 0 | 113.1 | N499 F503 F522 L526 E709 | N499-L524 PolarHBondContact ND2-O 3.45Å; F503-L524 HydrophobicContact CE2-CD1 3.86Å; F503-L524 HydrophobicContact CZ-CD1 4.19Å; F522-L524 PolarHBondContact O-N 2.85Å; L524-L526 PolarHBondContact O-N 3.38Å; L524-E709 HydrophobicContact CD1-CB 3.68Å; L524-E709 HydrophobicContact CD1-CG 3.58Å; L524-E709 HydrophobicContact CG-CG 4.36Å | ||
| 525 | D | 79.5 | Confident | 82.9 | Confident | 88 Ų | 88 | 58 Ų | 58 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | trans | -81.9 | 116 | 178.9 | -171 | 18.9 | 0 | 0 | 0 | 111.9 | Q496 G523 Q527 | Q496-D525 PolarHBondContact NE2-OD1 3.47Å; G523-D525 PolarHBondContact O-N 2.78Å; D525-Q527 WeakPolarHBondContact OD1-CB 3.46Å; D525-Q527 PolarHBondContact OD1-N 3.42Å | ||
| 526 | L | 87 | Confident | 82.1 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.089 | 33% | 0.33 | C | S | . | . | trans | -93.7 | -2.5 | 177 | -52.9 | 177.9 | 0 | 0 | 0 | 112.4 | E492 Q495 Q496 L524 P528 T529 I530 Y587 | E492-L526 HydrophobicContact CG-CB 4.37Å; E492-L526 WeakPolarHBondContact OE1-CD2 3.08Å; Q495-L526 HydrophobicContact CB-CD1 3.67Å; Q495-L526 HydrophobicContact CG-CD1 3.46Å; Q495-L526 VanDerWaalsContact CG-CD1 3.46Å; Q496-L526 HydrophobicContact CB-CB 4.36Å; L524-L526 PolarHBondContact O-N 3.38Å; L526-P528 VanDerWaalsContact C-N 3.29Å; L526-T529 PolarHBondContact O-N 3.37Å; L526-I530 HydrophobicContact CB-CD1 4.46Å; L526-I530 PolarHBondContact O-N 2.68Å; L526-I530 VanDerWaalsContact O-N 3.09Å; L526-Y587 HydrophobicContact CD1-CD1 4.46Å; L526-Y587 HydrophobicContact CD1-CG 4.24Å | ||
| 527 | Q | 88.6 | Confident | 82 | Confident | 63 Ų | 63 | 59.9 Ų | 59.9 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52.7 | -39 | 179.2 | -164.3 | 62.3 | 46.8 | 0 | 0 | 113.3 | D525 T529 I530 D531 | D525-Q527 WeakPolarHBondContact OD1-CB 3.46Å; D525-Q527 PolarHBondContact OD1-N 3.42Å; Q527-T529 VanDerWaalsContact C-N 3.32Å; Q527-T529 PolarHBondContact O-N 2.63Å; Q527-I530 PolarHBondContact O-N 2.73Å; Q527-D531 PolarHBondContact NE2-OD1 2.75Å; Q527-D531 WeakPolarHBondContact O-CB 2.92Å; Q527-D531 PolarHBondContact O-N 3.15Å |
| 528 | P | 89.9 | Confident | 82.3 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 176 | -25 | 35.4 | 0 | 0 | 0 | 114.2 | L526 L532 | L526-P528 VanDerWaalsContact C-N 3.29Å; P528-L532 WeakPolarHBondContact O-CB 2.93Å; P528-L532 PolarHBondContact O-N 3.36Å; P528-L532 VanDerWaalsContact O-N 3.15Å |
| 529 | T | 90.9 | Very high | 82.9 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.3 | -40 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | E492 L526 Q527 L532 I533 K570 V585 | E492-T529 HydrophobicContact CG-CG2 4.21Å; L526-T529 PolarHBondContact O-N 3.37Å; Q527-T529 VanDerWaalsContact C-N 3.32Å; Q527-T529 PolarHBondContact O-N 2.63Å; T529-L532 PolarHBondContact O-N 3.22Å; T529-I533 HydrophobicContact CG2-CD1 4.49Å; T529-I533 WeakPolarHBondContact O-CG1 3.26Å; T529-I533 PolarHBondContact O-N 2.74Å; T529-K570 WeakPolarHBondContact OG1-CG 3.26Å; T529-V585 PolarHBondContact OG1-O 2.61Å |
| 530 | I | 91.5 | Very high | 83.4 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 176.5 | -67.1 | 167.4 | 0 | 0 | 0 | 110.5 | Y489 E492 K493 Q496 L526 Q527 L532 I533 E534 | Y489-I530 HydrophobicContact CE2-CG2 4.26Å; E492-I530 HydrophobicContact CB-CG1 4.34Å; E492-I530 HydrophobicContact CG-CD1 4.36Å; E492-I530 HydrophobicContact CG-CG1 3.79Å; K493-I530 HydrophobicContact CG-CD1 4.04Å; K493-I530 HydrophobicContact CG-CG1 4.28Å; K493-I530 HydrophobicContact CG-CG2 4.2Å; Q496-I530 HydrophobicContact CB-CD1 3.48Å; Q496-I530 VanDerWaalsContact CB-CD1 3.48Å; Q496-I530 HydrophobicContact CG-CD1 3.76Å; L526-I530 HydrophobicContact CB-CD1 4.46Å; L526-I530 PolarHBondContact O-N 2.68Å; L526-I530 VanDerWaalsContact O-N 3.09Å; Q527-I530 PolarHBondContact O-N 2.73Å; I530-L532 VanDerWaalsContact C-N 3.35Å; I530-L532 PolarHBondContact O-N 2.55Å; I530-I533 PolarHBondContact O-N 2.71Å; I530-E534 HydrophobicContact CG2-CG 4.18Å; I530-E534 VanDerWaalsContact CG2-OE1 3.29Å; I530-E534 WeakPolarHBondContact CG2-OE1 3.37Å; I530-E534 WeakPolarHBondContact O-CG 2.96Å; I530-E534 PolarHBondContact O-N 2.95Å |
| 531 | D | 90.8 | Very high | 84.1 | Confident | 32 Ų | 32 | 43.2 Ų | 43.2 | 17% | 0.171 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 178 | -80.4 | -9.4 | 0 | 0 | 0 | 111.9 | Q527 I533 E534 K535 | Q527-D531 PolarHBondContact NE2-OD1 2.75Å; Q527-D531 WeakPolarHBondContact O-CB 2.92Å; Q527-D531 PolarHBondContact O-N 3.15Å; D531-I533 PolarHBondContact O-N 3.44Å; D531-E534 PolarHBondContact O-N 3.42Å; D531-K535 HydrophobicContact CB-CD 3.78Å; D531-K535 HydrophobicContact CB-CG 4.1Å; D531-K535 VanDerWaalsContact O-CB 3.28Å; D531-K535 WeakPolarHBondContact O-CB 3.37Å; D531-K535 PolarHBondContact O-N 2.9Å; D531-K535 WeakPolarHBondContact OD1-CE 3.5Å; D531-K535 IonicContact OD1-NZ 2.71Å; D531-K535 VanDerWaalsContact OD2-CE 3.23Å; D531-K535 WeakPolarHBondContact OD2-CE 3.02Å; D531-K535 IonicContact OD2-NZ 3.38Å; D531-K535 PolarHBondContact OD2-NZ 2.78Å |
| 532 | L | 92.1 | Very high | 84.9 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.5 | -34.9 | 175.1 | 177.8 | 66.6 | 0 | 0 | 0 | 111.9 | P528 T529 I530 G538 I539 H565 H568 K570 F571 L584 | P528-L532 WeakPolarHBondContact O-CB 2.93Å; P528-L532 PolarHBondContact O-N 3.36Å; P528-L532 VanDerWaalsContact O-N 3.15Å; T529-L532 PolarHBondContact O-N 3.22Å; I530-L532 VanDerWaalsContact C-N 3.35Å; I530-L532 PolarHBondContact O-N 2.55Å; L532-G538 CarbonylContact O-C 3.58Å; L532-G538 WeakPolarHBondContact O-CA 3.14Å; L532-I539 HydrophobicContact CD2-CD1 4.38Å; L532-I539 HydrophobicContact CG-CD1 4.09Å; L532-I539 HydrophobicContact CG-CG1 4.41Å; L532-I539 PolarHBondContact O-N 2.93Å; L532-H565 HydrophobicContact CD1-CB 4.02Å; L532-H568 HydrophobicContact CD1-CB 4.41Å; L532-K570 HydrophobicContact CD2-CB 4.25Å; L532-F571 HydrophobicContact CD2-CB 4.1Å; L532-F571 HydrophobicContact CD2-CD2 4.49Å; L532-L584 HydrophobicContact CD2-CD2 3.86Å |
| 533 | I | 92.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -83.6 | -43.9 | -178.4 | -63.1 | 168.1 | 0 | 0 | 0 | 111.6 | L485 Y489 T529 I530 D531 I539 L540 L584 | L485-I533 HydrophobicContact CD1-CD1 4.5Å; Y489-I533 HydrophobicContact CD2-CB 4Å; Y489-I533 HydrophobicContact CD2-CD1 3.98Å; Y489-I533 HydrophobicContact CD2-CG2 3.6Å; Y489-I533 HydrophobicContact CE2-CB 4.28Å; Y489-I533 HydrophobicContact CE2-CG2 3.96Å; Y489-I533 HydrophobicContact CG-CD1 4.5Å; Y489-I533 HydrophobicContact CG-CG2 3.96Å; T529-I533 HydrophobicContact CG2-CD1 4.49Å; T529-I533 WeakPolarHBondContact O-CG1 3.26Å; T529-I533 PolarHBondContact O-N 2.74Å; I530-I533 PolarHBondContact O-N 2.71Å; D531-I533 PolarHBondContact O-N 3.44Å; I533-I539 HydrophobicContact CG1-CD1 4.22Å; I533-I539 PolarHBondContact O-N 3.46Å; I533-L540 HydrophobicContact CG2-CD1 3.86Å; I533-L540 HydrophobicContact CG2-CG 3.8Å; I533-L540 WeakPolarHBondContact O-CB 3.18Å; I533-L540 PolarHBondContact O-N 3.35Å; I533-L584 HydrophobicContact CD1-CD1 4.34Å; I533-L584 HydrophobicContact CG1-CD1 4.34Å |
| 534 | E | 87.8 | Confident | 86.9 | Confident | 32 Ų | 32 | 33.4 Ų | 33.4 | 15% | 0.15 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -109.7 | -21.3 | -164.5 | 83.1 | 175 | 163.1 | 0 | 0 | 117.2 | Y489 K493 I530 D531 K661 | Y489-E534 HydrophobicContact CE2-CB 4.1Å; Y489-E534 PolarHBondContact OH-OE2 3.07Å; K493-E534 WeakPolarHBondContact CE-OE2 3.03Å; K493-E534 IonicContact NZ-OE1 3.66Å; K493-E534 IonicContact NZ-OE2 3.19Å; K493-E534 PolarHBondContact NZ-OE2 3.26Å; I530-E534 HydrophobicContact CG2-CG 4.18Å; I530-E534 VanDerWaalsContact CG2-OE1 3.29Å; I530-E534 WeakPolarHBondContact CG2-OE1 3.37Å; I530-E534 WeakPolarHBondContact O-CG 2.96Å; I530-E534 PolarHBondContact O-N 2.95Å; D531-E534 PolarHBondContact O-N 3.42Å; E534-K661 PolarHBondContact O-NZ 2.94Å |
| 535 | K | 82.4 | Confident | 87.6 | Confident | 106 Ų | 106 | 34 Ų | 34 | 46% | 0.461 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -64.3 | 164.6 | -176 | -86.4 | -172.6 | 171.8 | 163.2 | 0 | 111.3 | D531 M537 G538 S541 | D531-K535 HydrophobicContact CB-CD 3.78Å; D531-K535 HydrophobicContact CB-CG 4.1Å; D531-K535 VanDerWaalsContact O-CB 3.28Å; D531-K535 WeakPolarHBondContact O-CB 3.37Å; D531-K535 PolarHBondContact O-N 2.9Å; D531-K535 WeakPolarHBondContact OD1-CE 3.5Å; D531-K535 IonicContact OD1-NZ 2.71Å; D531-K535 VanDerWaalsContact OD2-CE 3.23Å; D531-K535 WeakPolarHBondContact OD2-CE 3.02Å; D531-K535 IonicContact OD2-NZ 3.38Å; D531-K535 PolarHBondContact OD2-NZ 2.78Å; K535-M537 PolarHBondContact O-N 2.84Å; K535-G538 WeakPolarHBondContact O-CA 3.1Å; K535-G538 PolarHBondContact O-N 3.49Å; K535-S541 PolarHBondContact O-OG 3.16Å |
| 536 | P | 72.1 | Confident | 88 | Confident | 116 Ų | 116 | 30.8 Ų | 30.8 | 75% | 0.753 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 132.5 | 164.4 | -23.2 | 34.1 | 0 | 0 | 0 | 109.2 | G538 | P536-G538 VanDerWaalsContact C-N 3.26Å; P536-G538 PolarHBondContact O-N 3.25Å |
| 537 | M | 81 | Confident | 87.7 | Confident | 93 Ų | 93 | 30.4 Ų | 30.4 | 46% | 0.458 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 11.8 | -169.7 | -49.7 | -65.3 | -80.2 | 0 | 0 | 116.2 | K535 L542 H565 | K535-M537 PolarHBondContact O-N 2.84Å; M537-L542 HydrophobicContact CE-CD2 4.32Å; M537-L542 WeakPolarHBondContact O-CD1 2.72Å; M537-L542 HydrophobicContact SD-CD2 4.35Å; M537-H565 PolarHBondContact O-CE1 2.98Å; M537-H565 PolarHBondContact O-NE2 3.43Å; M537-H565 VanDerWaalsContact O-NE2 3.08Å |
| 538 | G | 89 | Confident | 86.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -79.8 | 176.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L532 K535 P536 L540 S541 L542 | L532-G538 CarbonylContact O-C 3.58Å; L532-G538 WeakPolarHBondContact O-CA 3.14Å; K535-G538 WeakPolarHBondContact O-CA 3.1Å; K535-G538 PolarHBondContact O-N 3.49Å; P536-G538 VanDerWaalsContact C-N 3.26Å; P536-G538 PolarHBondContact O-N 3.25Å; G538-L540 PolarHBondContact O-N 3.17Å; G538-S541 PolarHBondContact O-N 2.74Å; G538-S541 VanDerWaalsContact O-N 3.15Å; G538-L542 WeakPolarHBondContact O-CG 2.88Å; G538-L542 PolarHBondContact O-N 3.49Å |
| 539 | I | 93.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.7 | -48.8 | -173.4 | -62.2 | 174.1 | 0 | 0 | 0 | 112.4 | L485 L532 I533 L543 Y557 L561 F582 L584 | L485-I539 HydrophobicContact CD2-CG2 4.02Å; L532-I539 HydrophobicContact CD2-CD1 4.38Å; L532-I539 HydrophobicContact CG-CD1 4.09Å; L532-I539 HydrophobicContact CG-CG1 4.41Å; L532-I539 PolarHBondContact O-N 2.93Å; I533-I539 HydrophobicContact CG1-CD1 4.22Å; I533-I539 PolarHBondContact O-N 3.46Å; I539-L543 WeakPolarHBondContact O-CB 3.08Å; I539-L543 PolarHBondContact O-N 3.18Å; I539-L543 VanDerWaalsContact O-N 3.08Å; I539-Y557 WeakPolarHBondContact CG2-OH 3.47Å; I539-Y557 PolarHBondContact O-OH 3.42Å; I539-L561 HydrophobicContact CB-CD2 4.34Å; I539-L561 HydrophobicContact CG1-CD2 4.07Å; I539-L561 HydrophobicContact CG2-CD2 4.31Å; I539-F582 HydrophobicContact CD1-CE2 4.26Å; I539-F582 HydrophobicContact CG2-CZ 4.49Å; I539-L584 HydrophobicContact CD1-CD1 3.63Å; I539-L584 HydrophobicContact CD1-CD2 3.59Å; I539-L584 HydrophobicContact CD1-CG 4.22Å |
| 540 | L | 91.9 | Very high | 85.3 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.2 | -38.8 | 179.7 | -65.6 | 179.3 | 0 | 0 | 0 | 112.3 | F482 L485 Y489 I533 G538 L543 D544 | F482-L540 HydrophobicContact CE2-CD2 4Å; L485-L540 HydrophobicContact CD2-CD2 4.5Å; Y489-L540 HydrophobicContact CE1-CD1 4.33Å; I533-L540 HydrophobicContact CG2-CD1 3.86Å; I533-L540 HydrophobicContact CG2-CG 3.8Å; I533-L540 WeakPolarHBondContact O-CB 3.18Å; I533-L540 PolarHBondContact O-N 3.35Å; G538-L540 PolarHBondContact O-N 3.17Å; L540-L543 WeakPolarHBondContact O-CB 3.01Å; L540-L543 PolarHBondContact O-N 3.35Å; L540-D544 PolarHBondContact O-N 3.37Å |
| 541 | S | 87.9 | Confident | 84.7 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 179.4 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | K535 G538 L543 D544 E545 | K535-S541 PolarHBondContact O-OG 3.16Å; G538-S541 PolarHBondContact O-N 2.74Å; G538-S541 VanDerWaalsContact O-N 3.15Å; S541-L543 VanDerWaalsContact C-N 3.32Å; S541-D544 PolarHBondContact O-N 2.99Å; S541-E545 WeakPolarHBondContact O-CG 3.21Å; S541-E545 PolarHBondContact O-N 3.46Å |
| 542 | L | 91 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 175.4 | -69.3 | 173 | 0 | 0 | 0 | 111.7 | M537 G538 D544 E546 Y557 K560 L561 N564 | M537-L542 HydrophobicContact CE-CD2 4.32Å; M537-L542 WeakPolarHBondContact O-CD1 2.72Å; M537-L542 HydrophobicContact SD-CD2 4.35Å; G538-L542 WeakPolarHBondContact O-CG 2.88Å; G538-L542 PolarHBondContact O-N 3.49Å; L542-D544 VanDerWaalsContact C-N 3.35Å; L542-E546 WeakPolarHBondContact O-CG 3.34Å; L542-E546 PolarHBondContact O-N 3.5Å; L542-Y557 HydrophobicContact CB-CE2 4.26Å; L542-K560 HydrophobicContact CD2-CD 4.2Å; L542-K560 HydrophobicContact CD2-CG 4.32Å; L542-L561 HydrophobicContact CB-CD2 4.41Å; L542-L561 HydrophobicContact CD1-CD2 3.85Å; L542-N564 HydrophobicContact CD1-CB 4.14Å; L542-N564 WeakPolarHBondContact CD1-ND2 3.16Å; L542-N564 WeakPolarHBondContact CD2-ND2 3.23Å |
| 543 | L | 90.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.5 | -175.5 | 66.5 | 0 | 0 | 0 | 111.1 | F482 I539 L540 S541 E546 C547 Y557 W598 L599 N602 | F482-L543 HydrophobicContact CD2-CD2 3.82Å; F482-L543 HydrophobicContact CE2-CD2 3.5Å; F482-L543 VanDerWaalsContact CE2-CD2 3.5Å; F482-L543 HydrophobicContact CZ-CD2 4.28Å; I539-L543 WeakPolarHBondContact O-CB 3.08Å; I539-L543 PolarHBondContact O-N 3.18Å; I539-L543 VanDerWaalsContact O-N 3.08Å; L540-L543 WeakPolarHBondContact O-CB 3.01Å; L540-L543 PolarHBondContact O-N 3.35Å; S541-L543 VanDerWaalsContact C-N 3.32Å; L543-E546 PolarHBondContact O-N 2.92Å; L543-C547 PolarHBondContact O-N 3.48Å; L543-C547 PolarHBondContact O-SG 2.88Å; L543-Y557 VanDerWaalsContact CA-CE2 3.49Å; L543-Y557 HydrophobicContact CB-CD2 4.37Å; L543-Y557 HydrophobicContact CB-CE2 3.63Å; L543-Y557 HydrophobicContact CD1-CD1 4.15Å; L543-Y557 HydrophobicContact CD1-CD2 4.09Å; L543-Y557 HydrophobicContact CD1-CE1 3.94Å; L543-Y557 HydrophobicContact CD1-CE2 3.89Å; L543-Y557 HydrophobicContact CD1-CG 4.21Å; L543-Y557 HydrophobicContact CG-CE2 4.37Å; L543-W598 HydrophobicContact CD1-CB 3.95Å; L543-W598 HydrophobicContact CD1-CE3 4.43Å; L543-W598 HydrophobicContact CD2-CE3 4.24Å; L543-L599 HydrophobicContact CD1-CD2 3.83Å; L543-N602 HydrophobicContact CD2-CB 3.93Å; L543-N602 HydrophobicContact CG-CB 4.22Å |
| 544 | D | 86.2 | Confident | 84 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 177.6 | -68.7 | -22.9 | 0 | 0 | 0 | 112.7 | L540 S541 L542 C547 W548 N602 T655 S657 Q658 | L540-D544 PolarHBondContact O-N 3.37Å; S541-D544 PolarHBondContact O-N 2.99Å; L542-D544 VanDerWaalsContact C-N 3.35Å; D544-C547 WeakPolarHBondContact O-CB 3.45Å; D544-C547 PolarHBondContact O-N 3.29Å; D544-W548 PolarHBondContact O-N 3.44Å; D544-N602 PolarHBondContact OD1-ND2 2.59Å; D544-T655 VanDerWaalsContact CG-OG1 3.26Å; D544-T655 WeakPolarHBondContact OD1-CB 3.12Å; D544-T655 PolarHBondContact OD1-OG1 3.47Å; D544-S657 VanDerWaalsContact CG-OG 3.24Å; D544-S657 PolarHBondContact OD1-OG 3.38Å; D544-S657 PolarHBondContact OD2-OG 3.29Å; D544-Q658 WeakPolarHBondContact OD2-CG 3.38Å; D544-Q658 PolarHBondContact OD2-NE2 2.63Å |
| 545 | E | 85 | Confident | 84 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 174.8 | -73.7 | 175.7 | -167.8 | 0 | 0 | 111.3 | S541 C547 W548 F549 K560 | S541-E545 WeakPolarHBondContact O-CG 3.21Å; S541-E545 PolarHBondContact O-N 3.46Å; E545-C547 PolarHBondContact O-N 3.3Å; E545-W548 WeakPolarHBondContact O-CB 3.25Å; E545-W548 PolarHBondContact O-N 3.3Å; E545-F549 WeakPolarHBondContact O-CD2 3.1Å; E545-F549 PolarHBondContact O-N 3.49Å; E545-K560 IonicContact OE2-NZ 2.67Å; E545-K560 PolarHBondContact OE2-NZ 2.83Å; E545-K560 VanDerWaalsContact OE2-NZ 3.11Å |
| 546 | E | 86.9 | Confident | 84.3 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -31 | 178.4 | -69.7 | -65.3 | 119 | 0 | 0 | 111.9 | L542 L543 W548 F549 A552 S556 Y557 K560 L599 | L542-E546 WeakPolarHBondContact O-CG 3.34Å; L542-E546 PolarHBondContact O-N 3.5Å; L543-E546 PolarHBondContact O-N 2.92Å; E546-W548 PolarHBondContact O-N 3.33Å; E546-F549 PolarHBondContact O-N 3.16Å; E546-A552 HydrophobicContact CB-CB 4.14Å; E546-A552 WeakPolarHBondContact O-CB 2.81Å; E546-A552 WeakPolarHBondContact OE2-CB 3.2Å; E546-S556 PolarHBondContact OE2-OG 3Å; E546-Y557 HydrophobicContact CG-CD2 4.13Å; E546-K560 HydrophobicContact CG-CD 4.05Å; E546-K560 WeakPolarHBondContact OE1-CD 3.22Å; E546-K560 WeakPolarHBondContact OE1-CE 3.14Å; E546-K560 IonicContact OE1-NZ 2.71Å; E546-K560 PolarHBondContact OE1-NZ 3.21Å; E546-L599 HydrophobicContact CB-CD2 3.64Å |
| 547 | C | 81.5 | Confident | 85.3 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -20.8 | 173.2 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | L543 D544 E545 N602 M603 T655 | L543-C547 PolarHBondContact O-N 3.48Å; L543-C547 PolarHBondContact O-SG 2.88Å; D544-C547 WeakPolarHBondContact O-CB 3.45Å; D544-C547 PolarHBondContact O-N 3.29Å; E545-C547 PolarHBondContact O-N 3.3Å; C547-N602 PolarHBondContact SG-ND2 2.99Å; C547-N602 VanDerWaalsContact SG-ND2 3.36Å; C547-M603 HydrophobicContact CB-CG 3.75Å; C547-M603 HydrophobicContact CB-SD 4.39Å; C547-T655 HydrophobicContact CB-CG2 4.2Å |
| 548 | W | 70.8 | Confident | 85.8 | Confident | 142 Ų | 142 | 51.3 Ų | 51.3 | 54% | 0.538 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -90.4 | -13.8 | 177.3 | -62.1 | -10.4 | 0 | 0 | 0 | 113.1 | D544 E545 E546 P550 F653 | D544-W548 PolarHBondContact O-N 3.44Å; E545-W548 WeakPolarHBondContact O-CB 3.25Å; E545-W548 PolarHBondContact O-N 3.3Å; E546-W548 PolarHBondContact O-N 3.33Å; W548-P550 WeakPolarHBondContact O-CD 3.14Å; W548-F653 VanDerWaalsContact NE1-CB 3.32Å; W548-F653 PolarHBondContact NE1-O 3.19Å |
| 549 | F | 75.5 | Confident | 85.8 | Confident | 127 Ų | 127 | 57.7 Ų | 57.7 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -87.2 | 117.3 | 179.4 | -81.4 | -78.4 | 0 | 0 | 0 | 111.4 | E545 E546 K551 A552 | E545-F549 WeakPolarHBondContact O-CD2 3.1Å; E545-F549 PolarHBondContact O-N 3.49Å; E546-F549 PolarHBondContact O-N 3.16Å; F549-K551 PolarHBondContact O-N 3.39Å; F549-A552 HydrophobicContact CB-CB 3.9Å; F549-A552 WeakPolarHBondContact O-CB 3.33Å; F549-A552 PolarHBondContact O-N 2.95Å |
| 550 | P | 71.7 | Confident | 85.6 | Confident | 135 Ų | 135 | 60 Ų | 60 | 88% | 0.877 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.7 | -171.9 | -24 | 32.1 | 0 | 0 | 0 | 116 | W548 | W548-P550 WeakPolarHBondContact O-CD 3.14Š|
| 551 | K | 79.1 | Confident | 85.6 | Confident | 201 Ų | 201 | 59.8 Ų | 59.8 | 87% | 0.874 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 6.7 | -179.1 | -66.5 | -175.8 | 178.9 | 177.6 | 0 | 113.1 | F549 | F549-K551 PolarHBondContact O-N 3.39Š|
| 552 | A | 83.3 | Confident | 85.7 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | trans | -67.3 | 147.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | E546 F549 S556 L599 | E546-A552 HydrophobicContact CB-CB 4.14Å; E546-A552 WeakPolarHBondContact O-CB 2.81Å; E546-A552 WeakPolarHBondContact OE2-CB 3.2Å; F549-A552 HydrophobicContact CB-CB 3.9Å; F549-A552 WeakPolarHBondContact O-CB 3.33Å; F549-A552 PolarHBondContact O-N 2.95Å; A552-S556 WeakPolarHBondContact CA-OG 3.5Å; A552-L599 HydrophobicContact CB-CD1 3.98Å | ||
| 553 | T | 87.8 | Confident | 85.7 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | trans | -132.5 | 162.4 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 108.7 | K555 S556 Y557 | T553-K555 PolarHBondContact O-N 3.13Å; T553-S556 PolarHBondContact N-OG 3.44Å; T553-S556 PolarHBondContact O-N 2.98Å; T553-S556 PolarHBondContact O-OG 3.42Å; T553-S556 PolarHBondContact OG1-N 2.91Å; T553-Y557 PolarHBondContact O-N 2.9Å | ||
| 554 | D | 89.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -25.7 | 176.9 | -55.1 | -46.1 | 0 | 0 | 0 | 111.9 | T558 A595 Q597 W598 L599 | D554-T558 WeakPolarHBondContact O-CG2 3.4Å; D554-T558 PolarHBondContact O-N 2.96Å; D554-T558 PolarHBondContact O-OG1 3.34Å; D554-A595 WeakPolarHBondContact CB-O 3.26Å; D554-Q597 VanDerWaalsContact OD2-CA 3.28Å; D554-Q597 WeakPolarHBondContact OD2-CA 3.4Å; D554-Q597 PolarHBondContact OD2-N 2.75Å; D554-W598 PolarHBondContact OD1-N 2.88Å; D554-W598 VanDerWaalsContact OD1-N 3.17Å; D554-L599 WeakPolarHBondContact OD1-CG 3.33Å; D554-L599 PolarHBondContact OD1-N 2.81Å |
| 555 | K | 87.9 | Confident | 85.8 | Confident | 158 Ų | 158 | 69.7 Ų | 69.7 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.9 | -45.3 | 171.6 | -68 | -173 | -179.9 | -178.2 | 0 | 113.1 | T553 Y557 T558 E559 | T553-K555 PolarHBondContact O-N 3.13Å; K555-Y557 PolarHBondContact O-N 2.84Å; K555-T558 WeakPolarHBondContact CA-OG1 3.37Å; K555-T558 PolarHBondContact O-N 2.92Å; K555-T558 PolarHBondContact O-OG1 3.46Å; K555-E559 WeakPolarHBondContact O-CG 3.5Å; K555-E559 PolarHBondContact O-N 3.45Å |
| 556 | S | 89.9 | Confident | 85.9 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 22% | 0.217 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 176 | 68.6 | 0 | 0 | 0 | 0 | 111 | E546 A552 T553 E559 K560 | E546-S556 PolarHBondContact OE2-OG 3Å; A552-S556 WeakPolarHBondContact CA-OG 3.5Å; T553-S556 PolarHBondContact N-OG 3.44Å; T553-S556 PolarHBondContact O-N 2.98Å; T553-S556 PolarHBondContact O-OG 3.42Å; T553-S556 PolarHBondContact OG1-N 2.91Å; S556-E559 PolarHBondContact O-N 3.25Å; S556-K560 WeakPolarHBondContact O-CB 3.17Å; S556-K560 PolarHBondContact O-N 3.44Å |
| 557 | Y | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 173.9 | 169.7 | -112.3 | 0 | 0 | 0 | 112.5 | I539 L542 L543 E546 T553 K555 E559 K560 L561 A595 W598 | I539-Y557 WeakPolarHBondContact CG2-OH 3.47Å; I539-Y557 PolarHBondContact O-OH 3.42Å; L542-Y557 HydrophobicContact CB-CE2 4.26Å; L543-Y557 VanDerWaalsContact CA-CE2 3.49Å; L543-Y557 HydrophobicContact CB-CD2 4.37Å; L543-Y557 HydrophobicContact CB-CE2 3.63Å; L543-Y557 HydrophobicContact CD1-CD1 4.15Å; L543-Y557 HydrophobicContact CD1-CD2 4.09Å; L543-Y557 HydrophobicContact CD1-CE1 3.94Å; L543-Y557 HydrophobicContact CD1-CE2 3.89Å; L543-Y557 HydrophobicContact CD1-CG 4.21Å; L543-Y557 HydrophobicContact CG-CE2 4.37Å; E546-Y557 HydrophobicContact CG-CD2 4.13Å; T553-Y557 PolarHBondContact O-N 2.9Å; K555-Y557 PolarHBondContact O-N 2.84Å; Y557-E559 PolarHBondContact O-N 3.09Å; Y557-K560 PolarHBondContact O-N 2.73Å; Y557-L561 HydrophobicContact CD1-CD1 4.22Å; Y557-L561 HydrophobicContact CD2-CG 4.3Å; Y557-L561 HydrophobicContact CE1-CD1 3.56Å; Y557-L561 HydrophobicContact CE1-CG 4.25Å; Y557-L561 HydrophobicContact CE2-CD1 4Å; Y557-L561 HydrophobicContact CE2-CD2 3.95Å; Y557-L561 HydrophobicContact CE2-CG 3.83Å; Y557-L561 VanDerWaalsContact CZ-CD1 3.45Å; Y557-L561 WeakPolarHBondContact O-CG 3.14Å; Y557-L561 PolarHBondContact O-N 2.95Å; Y557-A595 HydrophobicContact CD1-CB 4.26Å; Y557-A595 HydrophobicContact CE1-CB 4.36Å; Y557-W598 AromaticContact CE1-CE3 3.66Å; Y557-W598 HydrophobicContact CE1-CE3 3.66Å; Y557-W598 HydrophobicContact CE1-CZ3 4.13Å |
| 558 | T | 90.7 | Very high | 86.2 | Confident | 10 Ų | 10 | 80.4 Ų | 80.4 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 113 | D554 K555 L561 K562 D581 A595 | D554-T558 WeakPolarHBondContact O-CG2 3.4Å; D554-T558 PolarHBondContact O-N 2.96Å; D554-T558 PolarHBondContact O-OG1 3.34Å; K555-T558 WeakPolarHBondContact CA-OG1 3.37Å; K555-T558 PolarHBondContact O-N 2.92Å; K555-T558 PolarHBondContact O-OG1 3.46Å; T558-L561 PolarHBondContact O-N 3.44Å; T558-K562 VanDerWaalsContact O-CG 3.3Å; T558-K562 WeakPolarHBondContact O-CG 3.45Å; T558-K562 PolarHBondContact O-N 3.19Å; T558-D581 HydrophobicContact CG2-CB 3.63Å; T558-A595 HydrophobicContact CG2-CB 3.36Å |
| 559 | E | 89.1 | Confident | 87 | Confident | 135 Ų | 135 | 78.9 Ų | 78.9 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 171.6 | -74.2 | 176.6 | 178.8 | 0 | 0 | 111.6 | K555 S556 Y557 L561 K562 A563 | K555-E559 WeakPolarHBondContact O-CG 3.5Å; K555-E559 PolarHBondContact O-N 3.45Å; S556-E559 PolarHBondContact O-N 3.25Å; Y557-E559 PolarHBondContact O-N 3.09Å; E559-L561 PolarHBondContact O-N 2.94Å; E559-K562 PolarHBondContact O-N 2.93Å; E559-A563 WeakPolarHBondContact O-CB 3.47Å; E559-A563 PolarHBondContact O-N 3.4Å |
| 560 | K | 90.1 | Very high | 87.7 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 176.2 | -165.7 | 175.7 | -175.2 | -170 | 0 | 112 | L542 E545 E546 S556 Y557 A563 N564 | L542-K560 HydrophobicContact CD2-CD 4.2Å; L542-K560 HydrophobicContact CD2-CG 4.32Å; E545-K560 IonicContact OE2-NZ 2.67Å; E545-K560 PolarHBondContact OE2-NZ 2.83Å; E545-K560 VanDerWaalsContact OE2-NZ 3.11Å; E546-K560 HydrophobicContact CG-CD 4.05Å; E546-K560 WeakPolarHBondContact OE1-CD 3.22Å; E546-K560 WeakPolarHBondContact OE1-CE 3.14Å; E546-K560 IonicContact OE1-NZ 2.71Å; E546-K560 PolarHBondContact OE1-NZ 3.21Å; S556-K560 WeakPolarHBondContact O-CB 3.17Å; S556-K560 PolarHBondContact O-N 3.44Å; Y557-K560 PolarHBondContact O-N 2.73Å; K560-A563 PolarHBondContact O-N 3.07Å; K560-N564 WeakPolarHBondContact O-CB 3.24Å; K560-N564 PolarHBondContact O-N 2.94Å; K560-N564 PolarHBondContact O-ND2 3.31Å |
| 561 | L | 91.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 172 | -75 | -178.1 | 0 | 0 | 0 | 111.7 | I539 L542 Y557 T558 E559 A563 N564 H565 F571 F582 | I539-L561 HydrophobicContact CB-CD2 4.34Å; I539-L561 HydrophobicContact CG1-CD2 4.07Å; I539-L561 HydrophobicContact CG2-CD2 4.31Å; L542-L561 HydrophobicContact CB-CD2 4.41Å; L542-L561 HydrophobicContact CD1-CD2 3.85Å; Y557-L561 HydrophobicContact CD1-CD1 4.22Å; Y557-L561 HydrophobicContact CD2-CG 4.3Å; Y557-L561 HydrophobicContact CE1-CD1 3.56Å; Y557-L561 HydrophobicContact CE1-CG 4.25Å; Y557-L561 HydrophobicContact CE2-CD1 4Å; Y557-L561 HydrophobicContact CE2-CD2 3.95Å; Y557-L561 HydrophobicContact CE2-CG 3.83Å; Y557-L561 VanDerWaalsContact CZ-CD1 3.45Å; Y557-L561 WeakPolarHBondContact O-CG 3.14Å; Y557-L561 PolarHBondContact O-N 2.95Å; T558-L561 PolarHBondContact O-N 3.44Å; E559-L561 PolarHBondContact O-N 2.94Å; L561-A563 VanDerWaalsContact C-N 3.35Å; L561-A563 PolarHBondContact O-N 3.31Å; L561-N564 PolarHBondContact O-N 3.46Å; L561-H565 PolarHBondContact O-N 3.13Å; L561-F571 HydrophobicContact CB-CZ 4.23Å; L561-F582 HydrophobicContact CD1-CD1 4.01Å; L561-F582 HydrophobicContact CD1-CE1 3.85Å; L561-F582 HydrophobicContact CD1-CG 4.5Å; L561-F582 HydrophobicContact CD1-CZ 4.21Å |
| 562 | K | 90.1 | Very high | 89.2 | Confident | 72 Ų | 72 | 63 Ų | 63 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 179.2 | -72.7 | 171.5 | -175.6 | 175 | 0 | 111.5 | T558 E559 S566 I573 D581 | T558-K562 VanDerWaalsContact O-CG 3.3Å; T558-K562 WeakPolarHBondContact O-CG 3.45Å; T558-K562 PolarHBondContact O-N 3.19Å; E559-K562 PolarHBondContact O-N 2.93Å; K562-S566 WeakPolarHBondContact O-CB 3.46Å; K562-S566 PolarHBondContact O-N 3.32Å; K562-S566 VanDerWaalsContact O-N 3.15Å; K562-S566 PolarHBondContact O-OG 3.18Å; K562-I573 HydrophobicContact CG-CD1 4.22Å; K562-I573 HydrophobicContact CG-CG1 4.34Å; K562-D581 WeakPolarHBondContact CE-O 3.33Å |
| 563 | A | 89.7 | Confident | 89.5 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E559 K560 L561 | E559-A563 WeakPolarHBondContact O-CB 3.47Å; E559-A563 PolarHBondContact O-N 3.4Å; K560-A563 PolarHBondContact O-N 3.07Å; L561-A563 VanDerWaalsContact C-N 3.35Å; L561-A563 PolarHBondContact O-N 3.31Å |
| 564 | N | 89 | Confident | 89.1 | Confident | 72 Ų | 72 | 63 Ų | 63 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -82.7 | -30.9 | -176.7 | -73.3 | -34.4 | 0 | 0 | 0 | 114.4 | L542 K560 L561 | L542-N564 HydrophobicContact CD1-CB 4.14Å; L542-N564 WeakPolarHBondContact CD1-ND2 3.16Å; L542-N564 WeakPolarHBondContact CD2-ND2 3.23Å; K560-N564 WeakPolarHBondContact O-CB 3.24Å; K560-N564 PolarHBondContact O-N 2.94Å; K560-N564 PolarHBondContact O-ND2 3.31Å; L561-N564 PolarHBondContact O-N 3.46Å |
| 565 | H | 91.6 | Very high | 88.6 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 11% | 0.106 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -124.2 | 2.1 | -167.6 | -58.9 | -48.1 | 0 | 0 | 0 | 116.3 | L532 M537 L561 K567 H568 F571 | L532-H565 HydrophobicContact CD1-CB 4.02Å; M537-H565 PolarHBondContact O-CE1 2.98Å; M537-H565 PolarHBondContact O-NE2 3.43Å; M537-H565 VanDerWaalsContact O-NE2 3.08Å; L561-H565 PolarHBondContact O-N 3.13Å; H565-K567 PolarHBondContact O-N 2.54Å; H565-H568 HydrophobicContact CB-CB 4.49Å; H565-H568 WeakPolarHBondContact O-CB 3.21Å; H565-H568 PolarHBondContact O-N 2.6Å; H565-F571 HydrophobicContact CB-CB 4.19Å; H565-F571 HydrophobicContact CB-CD1 4.06Å; H565-F571 HydrophobicContact CB-CD2 3.99Å; H565-F571 HydrophobicContact CB-CE1 4.45Å; H565-F571 HydrophobicContact CB-CE2 4.39Å; H565-F571 HydrophobicContact CB-CG 3.82Å |
| 566 | S | 86.1 | Confident | 87.5 | Confident | 64 Ų | 64 | 72 Ų | 72 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -23.7 | -179.5 | 50.1 | 0 | 0 | 0 | 0 | 115.8 | K562 | K562-S566 WeakPolarHBondContact O-CB 3.46Å; K562-S566 PolarHBondContact O-N 3.32Å; K562-S566 VanDerWaalsContact O-N 3.15Å; K562-S566 PolarHBondContact O-OG 3.18Å |
| 567 | K | 86.2 | Confident | 86.5 | Confident | 200 Ų | 200 | 80.2 Ų | 80.2 | 87% | 0.87 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4.8 | 177.6 | -62.4 | -179.7 | -178.1 | 175.5 | 0 | 113.8 | H565 | H565-K567 PolarHBondContact O-N 2.54Š|
| 568 | H | 88.3 | Confident | 85.3 | Confident | 53 Ų | 53 | 82.3 Ų | 82.3 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | trans | -78.5 | 129.4 | -175.3 | -169.7 | -87.6 | 0 | 0 | 0 | 110.6 | L532 H565 K570 F571 | L532-H568 HydrophobicContact CD1-CB 4.41Å; H565-H568 HydrophobicContact CB-CB 4.49Å; H565-H568 WeakPolarHBondContact O-CB 3.21Å; H565-H568 PolarHBondContact O-N 2.6Å; H568-K570 PolarHBondContact ND1-N 3.26Å; H568-K570 PolarHBondContact O-N 2.89Å; H568-F571 HydrophobicContact CB-CB 4.09Å; H568-F571 PolarHBondContact O-N 3.21Å | ||
| 569 | P | 87.2 | Confident | 84.5 | Confident | 110 Ų | 110 | 85.4 Ų | 85.4 | 71% | 0.714 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.2 | -172.5 | 25.4 | -35.5 | 0 | 0 | 0 | 114.3 | ||
| 570 | K | 90.4 | Very high | 84.1 | Confident | 62 Ų | 62 | 79.9 Ų | 79.9 | 27% | 0.27 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -2.2 | 177.5 | -53.9 | -67.9 | -171.3 | 173 | 0 | 114.1 | T529 L532 H568 L584 V585 | T529-K570 WeakPolarHBondContact OG1-CG 3.26Å; L532-K570 HydrophobicContact CD2-CB 4.25Å; H568-K570 PolarHBondContact ND1-N 3.26Å; H568-K570 PolarHBondContact O-N 2.89Å; K570-L584 WeakPolarHBondContact O-CA 3.32Å; K570-V585 HydrophobicContact CB-CB 4.47Å; K570-V585 HydrophobicContact CD-CB 4.03Å; K570-V585 HydrophobicContact CD-CG1 4.28Å; K570-V585 PolarHBondContact O-N 3.44Å |
| 571 | F | 93.1 | Very high | 84 | Confident | 10 Ų | 10 | 79.7 Ų | 79.7 | 4% | 0.044 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121 | 179.2 | -173.1 | -90.2 | 0 | 0 | 0 | 109.6 | L532 L561 H565 H568 I573 F582 L584 | L532-F571 HydrophobicContact CD2-CB 4.1Å; L532-F571 HydrophobicContact CD2-CD2 4.49Å; L561-F571 HydrophobicContact CB-CZ 4.23Å; H565-F571 HydrophobicContact CB-CB 4.19Å; H565-F571 HydrophobicContact CB-CD1 4.06Å; H565-F571 HydrophobicContact CB-CD2 3.99Å; H565-F571 HydrophobicContact CB-CE1 4.45Å; H565-F571 HydrophobicContact CB-CE2 4.39Å; H565-F571 HydrophobicContact CB-CG 3.82Å; H568-F571 HydrophobicContact CB-CB 4.09Å; H568-F571 PolarHBondContact O-N 3.21Å; F571-I573 HydrophobicContact CD1-CG1 4.46Å; F571-I573 HydrophobicContact CE1-CG1 3.96Å; F571-F582 HydrophobicContact CD2-CD2 4.39Å; F571-F582 HydrophobicContact CE1-CB 4.47Å; F571-F582 HydrophobicContact CE2-CB 3.86Å; F571-F582 AromaticContact CE2-CD2 3.69Å; F571-F582 HydrophobicContact CE2-CD2 3.69Å; F571-F582 HydrophobicContact CE2-CE2 4.49Å; F571-F582 AromaticContact CE2-CG 3.98Å; F571-F582 HydrophobicContact CE2-CG 3.98Å; F571-F582 HydrophobicContact CZ-CB 3.62Å; F571-F582 HydrophobicContact CZ-CD2 4.35Å; F571-F582 HydrophobicContact CZ-CG 4.19Å; F571-L584 HydrophobicContact CD2-CD2 3.69Å; F571-L584 HydrophobicContact CE2-CD2 4.34Å |
| 572 | I | 90.9 | Very high | 84 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 30% | 0.297 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.3 | -177.8 | -63 | 173.6 | 0 | 0 | 0 | 108.6 | P574 A583 V585 | I572-P574 WeakPolarHBondContact O-CD 3.17Å; I572-A583 HydrophobicContact CB-CB 4.09Å; I572-A583 HydrophobicContact CG2-CB 4.44Å; I572-A583 PolarHBondContact N-O 3.04Å; I572-A583 PolarHBondContact O-N 2.6Å; I572-V585 HydrophobicContact CD1-CG2 3.5Å; I572-V585 VanDerWaalsContact CD1-CG2 3.5Å; I572-V585 HydrophobicContact CG1-CG2 4.14Å |
| 573 | I | 88.3 | Confident | 84.1 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 43% | 0.431 | 41% | 0.407 | S | S | . | . | trans | -94.5 | 115.1 | 172.2 | -60.4 | 169.8 | 0 | 0 | 0 | 107.6 | K562 F571 | K562-I573 HydrophobicContact CG-CD1 4.22Å; K562-I573 HydrophobicContact CG-CG1 4.34Å; F571-I573 HydrophobicContact CD1-CG1 4.46Å; F571-I573 HydrophobicContact CE1-CG1 3.96Å | ||
| 574 | P | 80.7 | Confident | 84.2 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | trans | -57.3 | 153.7 | 175.9 | -24.5 | 33.2 | 0 | 0 | 0 | 112.5 | I572 A578 S580 F582 A583 | I572-P574 WeakPolarHBondContact O-CD 3.17Å; P574-A578 HydrophobicContact CB-CB 3.63Å; P574-S580 WeakPolarHBondContact CG-OG 3.3Å; P574-F582 VanDerWaalsContact CD-CA 3.47Å; P574-A583 HydrophobicContact CG-CB 4.26Å | ||
| 575 | E | 77.1 | Confident | 84.2 | Confident | 168 Ų | 168 | 71 Ų | 71 | 79% | 0.785 | 37% | 0.369 | S | S | * | . | trans | -60.4 | 150.5 | 174.8 | -64.1 | -178.6 | -177.3 | 0 | 0 | 111 | K577 A578 | E575-K577 PolarHBondContact O-N 2.98Å; E575-A578 VanDerWaalsContact O-CB 3.3Å; E575-A578 WeakPolarHBondContact O-CB 3.41Å; E575-A578 PolarHBondContact O-N 3.35Å | ||
| 576 | F | 65.3 | Low | 84 | Confident | 218 Ų | 218 | 70.3 Ų | 70.3 | 96% | 0.956 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -17.5 | -173.9 | -170.6 | -94.6 | 0 | 0 | 0 | 115.4 | ||
| 577 | K | 68.6 | Low | 83.8 | Confident | 205 Ų | 205 | 68.8 Ų | 68.8 | 89% | 0.891 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -7.5 | 177.2 | -66.6 | -176.5 | -179.3 | 177.3 | 0 | 114.2 | E575 | E575-K577 PolarHBondContact O-N 2.98Š|
| 578 | A | 67 | Low | 83.3 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | trans | -73.7 | 143.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P574 E575 S580 | P574-A578 HydrophobicContact CB-CB 3.63Å; E575-A578 VanDerWaalsContact O-CB 3.3Å; E575-A578 WeakPolarHBondContact O-CB 3.41Å; E575-A578 PolarHBondContact O-N 3.35Å; A578-S580 PolarHBondContact O-N 2.8Å | ||
| 579 | A | 74.6 | Confident | 82.9 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 63% | 0.628 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.6 | -0.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L479 L594 | L479-A579 HydrophobicContact CD2-CB 4.17Å; A579-L594 WeakPolarHBondContact O-CD1 3.33Å |
| 580 | S | 80.8 | Confident | 82.9 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | trans | -103.6 | 150.1 | -177.1 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | P574 A578 | P574-S580 WeakPolarHBondContact CG-OG 3.3Å; A578-S580 PolarHBondContact O-N 2.8Å | ||
| 581 | D | 87.2 | Confident | 82.8 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -88.6 | -36.2 | -176.4 | -69.3 | -50.5 | 0 | 0 | 0 | 112.9 | T558 K562 Y593 A595 | T558-D581 HydrophobicContact CG2-CB 3.63Å; K562-D581 WeakPolarHBondContact CE-O 3.33Å; D581-Y593 PolarHBondContact N-O 2.61Å; D581-A595 HydrophobicContact CB-CB 4.27Å; D581-A595 WeakPolarHBondContact OD2-CA 3.35Å; D581-A595 VanDerWaalsContact OD2-CB 3.26Å; D581-A595 WeakPolarHBondContact OD2-CB 3.38Å; D581-A595 PolarHBondContact OD2-N 2.58Å |
| 582 | F | 91.8 | Very high | 82.7 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 164.4 | 177.8 | 70.3 | -83.7 | 0 | 0 | 0 | 111.2 | I539 L561 F571 P574 L584 Y593 W598 | I539-F582 HydrophobicContact CD1-CE2 4.26Å; I539-F582 HydrophobicContact CG2-CZ 4.49Å; L561-F582 HydrophobicContact CD1-CD1 4.01Å; L561-F582 HydrophobicContact CD1-CE1 3.85Å; L561-F582 HydrophobicContact CD1-CG 4.5Å; L561-F582 HydrophobicContact CD1-CZ 4.21Å; F571-F582 HydrophobicContact CD2-CD2 4.39Å; F571-F582 HydrophobicContact CE1-CB 4.47Å; F571-F582 HydrophobicContact CE2-CB 3.86Å; F571-F582 AromaticContact CE2-CD2 3.69Å; F571-F582 HydrophobicContact CE2-CD2 3.69Å; F571-F582 HydrophobicContact CE2-CE2 4.49Å; F571-F582 AromaticContact CE2-CG 3.98Å; F571-F582 HydrophobicContact CE2-CG 3.98Å; F571-F582 HydrophobicContact CZ-CB 3.62Å; F571-F582 HydrophobicContact CZ-CD2 4.35Å; F571-F582 HydrophobicContact CZ-CG 4.19Å; P574-F582 VanDerWaalsContact CD-CA 3.47Å; F582-L584 HydrophobicContact CD2-CD2 4Å; F582-L584 HydrophobicContact CD2-CG 4.12Å; F582-L584 HydrophobicContact CE2-CD1 4.11Å; F582-L584 HydrophobicContact CE2-CD2 4.04Å; F582-L584 HydrophobicContact CE2-CG 3.89Å; F582-Y593 HydrophobicContact CD2-CD2 4.49Å; F582-Y593 AromaticContact CE2-CD2 3.95Å; F582-Y593 HydrophobicContact CE2-CD2 3.95Å; F582-Y593 HydrophobicContact CE2-CG 4.32Å; F582-Y593 HydrophobicContact CZ-CD2 4.4Å; F582-Y593 HydrophobicContact CZ-CG 4.32Å; F582-Y593 PolarHBondContact N-O 2.87Å; F582-Y593 PolarHBondContact O-N 2.58Å; F582-W598 AromaticContact CE1-CH2 3.79Å; F582-W598 HydrophobicContact CE1-CH2 3.79Å; F582-W598 HydrophobicContact CE1-CZ2 4.45Å; F582-W598 HydrophobicContact CE1-CZ3 4Å; F582-W598 AromaticContact CZ-CH2 3.44Å; F582-W598 HydrophobicContact CZ-CH2 3.44Å; F582-W598 VanDerWaalsContact CZ-CH2 3.44Å; F582-W598 HydrophobicContact CZ-CZ2 4.41Å; F582-W598 AromaticContact CZ-CZ3 3.73Å; F582-W598 HydrophobicContact CZ-CZ3 3.73Å |
| 583 | A | 91.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I572 P574 R590 V591 D592 | I572-A583 HydrophobicContact CB-CB 4.09Å; I572-A583 HydrophobicContact CG2-CB 4.44Å; I572-A583 PolarHBondContact N-O 3.04Å; I572-A583 PolarHBondContact O-N 2.6Å; P574-A583 HydrophobicContact CG-CB 4.26Å; A583-R590 HydrophobicContact CB-CG 4.21Å; A583-V591 CarbonylContact C-O 3.4Å; A583-V591 VanDerWaalsContact CA-O 3.26Å; A583-V591 WeakPolarHBondContact CA-O 3.23Å; A583-D592 WeakPolarHBondContact CB-OD1 3.39Å |
| 584 | L | 92.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.7 | 177.6 | -56.4 | 179.9 | 0 | 0 | 0 | 110.9 | L485 L532 I533 I539 K570 F571 F582 H586 R590 V591 Y593 | L485-L584 HydrophobicContact CD1-CD1 3.69Å; L532-L584 HydrophobicContact CD2-CD2 3.86Å; I533-L584 HydrophobicContact CD1-CD1 4.34Å; I533-L584 HydrophobicContact CG1-CD1 4.34Å; I539-L584 HydrophobicContact CD1-CD1 3.63Å; I539-L584 HydrophobicContact CD1-CD2 3.59Å; I539-L584 HydrophobicContact CD1-CG 4.22Å; K570-L584 WeakPolarHBondContact O-CA 3.32Å; F571-L584 HydrophobicContact CD2-CD2 3.69Å; F571-L584 HydrophobicContact CE2-CD2 4.34Å; F582-L584 HydrophobicContact CD2-CD2 4Å; F582-L584 HydrophobicContact CD2-CG 4.12Å; F582-L584 HydrophobicContact CE2-CD1 4.11Å; F582-L584 HydrophobicContact CE2-CD2 4.04Å; F582-L584 HydrophobicContact CE2-CG 3.89Å; L584-H586 PolarHBondContact O-N 3.28Å; L584-R590 WeakPolarHBondContact O-CA 3.39Å; L584-V591 PolarHBondContact N-O 3.06Å; L584-V591 PolarHBondContact O-N 2.66Å; L584-Y593 HydrophobicContact CB-CE2 4.07Å; L584-Y593 HydrophobicContact CD1-CD2 4.26Å; L584-Y593 HydrophobicContact CD1-CE2 3.84Å; L584-Y593 HydrophobicContact CG-CD2 4.12Å; L584-Y593 HydrophobicContact CG-CE2 3.94Å |
| 585 | V | 90.2 | Very high | 83.3 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 99.9 | 172.6 | -175 | 0 | 0 | 0 | 0 | 109 | T529 K570 I572 | T529-V585 PolarHBondContact OG1-O 2.61Å; K570-V585 HydrophobicContact CB-CB 4.47Å; K570-V585 HydrophobicContact CD-CB 4.03Å; K570-V585 HydrophobicContact CD-CG1 4.28Å; K570-V585 PolarHBondContact O-N 3.44Å; I572-V585 HydrophobicContact CD1-CG2 3.5Å; I572-V585 VanDerWaalsContact CD1-CG2 3.5Å; I572-V585 HydrophobicContact CG1-CG2 4.14Å |
| 586 | H | 86.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 170.3 | 175.2 | -69.6 | -82.5 | 0 | 0 | 0 | 111.5 | F474 E492 L584 A588 G589 Y593 | F474-H586 HydrophobicContact CE2-CB 3.84Å; F474-H586 AromaticContact CE2-CG 3.96Å; F474-H586 HydrophobicContact CZ-CB 3.44Å; F474-H586 VanDerWaalsContact CZ-CB 3.44Å; F474-H586 AromaticContact CZ-CD2 3.98Å; F474-H586 AromaticContact CZ-CG 3.58Å; E492-H586 WeakPolarHBondContact OE2-CA 3.3Å; E492-H586 VanDerWaalsContact OE2-CB 3.31Å; E492-H586 WeakPolarHBondContact OE2-CB 3.43Å; E492-H586 IonicContact OE2-CG 3.11Å; E492-H586 IonicContact OE2-ND1 2.76Å; E492-H586 PolarHBondContact OE2-ND1 3.45Å; L584-H586 PolarHBondContact O-N 3.28Å; H586-A588 PolarHBondContact O-N 3.03Å; H586-G589 WeakPolarHBondContact CB-O 3.34Å; H586-G589 PolarHBondContact N-O 2.87Å; H586-G589 PolarHBondContact O-N 2.98Å; H586-G589 VanDerWaalsContact O-N 3.1Å; H586-Y593 AromaticContact NE2-CE2 3.59Å; H586-Y593 AromaticContact NE2-CZ 3.68Å; H586-Y593 PolarHBondContact NE2-OH 2.94Å |
| 587 | Y | 82 | Confident | 84.7 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 12% | 0.122 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.2 | 174.1 | 82.1 | -89 | 0 | 0 | 0 | 113.3 | F474 N491 E492 Q495 L526 C704 | F474-Y587 HydrophobicContact CD2-CD1 4.4Å; F474-Y587 AromaticContact CD2-CE1 3.56Å; F474-Y587 HydrophobicContact CD2-CE1 3.56Å; F474-Y587 HydrophobicContact CE2-CD1 4.29Å; F474-Y587 AromaticContact CE2-CE1 3.89Å; F474-Y587 HydrophobicContact CE2-CE1 3.89Å; F474-Y587 HydrophobicContact CG-CE1 4.46Å; N491-Y587 HydrophobicContact CB-CE1 4.17Å; E492-Y587 PolarHBondContact OE1-N 2.96Å; E492-Y587 WeakPolarHBondContact OE2-CD1 3.34Å; E492-Y587 PolarHBondContact OE2-N 3.04Å; Q495-Y587 HydrophobicContact CB-CD1 4.18Å; Q495-Y587 HydrophobicContact CB-CE1 4.23Å; Q495-Y587 HydrophobicContact CB-CG 4.31Å; Q495-Y587 HydrophobicContact CG-CD1 4.4Å; Q495-Y587 HydrophobicContact CG-CD2 3.99Å; Q495-Y587 HydrophobicContact CG-CE2 4.32Å; Q495-Y587 HydrophobicContact CG-CG 4.03Å; L526-Y587 HydrophobicContact CD1-CD1 4.46Å; L526-Y587 HydrophobicContact CD1-CG 4.24Å; Y587-C704 HydrophobicContact CD2-CB 3.92Å; Y587-C704 WeakPolarHBondContact CD2-O 3.17Å; Y587-C704 HydrophobicContact CE2-CB 4.2Å; Y587-C704 WeakPolarHBondContact O-CB 3.3Å; Y587-C704 PolarHBondContact O-SG 3.4Å |
| 588 | A | 74.7 | Confident | 85.6 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F474 H586 | F474-A588 HydrophobicContact CD1-CB 3.58Å; F474-A588 HydrophobicContact CD2-CB 4.14Å; F474-A588 HydrophobicContact CE1-CB 3.62Å; F474-A588 HydrophobicContact CE2-CB 4.18Å; F474-A588 HydrophobicContact CG-CB 3.87Å; F474-A588 HydrophobicContact CZ-CB 3.94Å; H586-A588 PolarHBondContact O-N 3.03Å |
| 589 | G | 81.1 | Confident | 86.5 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 26% | 0.258 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.2 | -171.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H586 | H586-G589 WeakPolarHBondContact CB-O 3.34Å; H586-G589 PolarHBondContact N-O 2.87Å; H586-G589 PolarHBondContact O-N 2.98Å; H586-G589 VanDerWaalsContact O-N 3.1Å |
| 590 | R | 86.5 | Confident | 86.7 | Confident | 122 Ų | 122 | 31.4 Ų | 31.4 | 46% | 0.46 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.7 | 178.1 | 176.2 | -177.2 | 161.8 | -174 | -6.7 | 110.3 | A583 L584 D592 | A583-R590 HydrophobicContact CB-CG 4.21Å; L584-R590 WeakPolarHBondContact O-CA 3.39Å; R590-D592 IonicContact CZ-OD1 3.87Å; R590-D592 IonicContact NE-OD1 2.8Å; R590-D592 PolarHBondContact NE-OD1 3.27Å; R590-D592 IonicContact NH2-OD1 3.37Å; R590-D592 PolarHBondContact NH2-OD1 3.15Å; R590-D592 IonicContact NH2-OD2 3.6Å |
| 591 | V | 87.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126 | 174.9 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | F474 I476 N480 A583 L584 Y593 | F474-V591 HydrophobicContact CE1-CG2 3.7Å; F474-V591 HydrophobicContact CZ-CG2 3.85Å; I476-V591 HydrophobicContact CD1-CG2 4.28Å; I476-V591 HydrophobicContact CG1-CG2 4.01Å; N480-V591 HydrophobicContact CB-CG1 4.16Å; N480-V591 WeakPolarHBondContact ND2-CG1 3.27Å; A583-V591 CarbonylContact C-O 3.4Å; A583-V591 VanDerWaalsContact CA-O 3.26Å; A583-V591 WeakPolarHBondContact CA-O 3.23Å; L584-V591 PolarHBondContact N-O 3.06Å; L584-V591 PolarHBondContact O-N 2.66Å; V591-Y593 HydrophobicContact CB-CE2 3.85Å; V591-Y593 HydrophobicContact CG1-CD2 4.38Å; V591-Y593 HydrophobicContact CG1-CE1 3.94Å; V591-Y593 HydrophobicContact CG1-CE2 3.79Å |
| 592 | D | 90.9 | Very high | 86.5 | Confident | 53 Ų | 53 | 30.8 Ų | 30.8 | 28% | 0.283 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.2 | 177.6 | -65.8 | -30.7 | 0 | 0 | 0 | 110 | N480 A583 R590 | N480-D592 WeakPolarHBondContact CB-O 3.39Å; N480-D592 PolarHBondContact ND2-O 2.89Å; A583-D592 WeakPolarHBondContact CB-OD1 3.39Å; R590-D592 IonicContact CZ-OD1 3.87Å; R590-D592 IonicContact NE-OD1 2.8Å; R590-D592 PolarHBondContact NE-OD1 3.27Å; R590-D592 IonicContact NH2-OD1 3.37Å; R590-D592 PolarHBondContact NH2-OD1 3.15Å; R590-D592 IonicContact NH2-OD2 3.6Å |
| 593 | Y | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.5 | -177.1 | -66.3 | -79.3 | 0 | 0 | 0 | 112 | N480 L485 N488 D581 F582 L584 H586 V591 W598 | N480-Y593 HydrophobicContact CB-CD1 3.61Å; N480-Y593 HydrophobicContact CB-CE1 3.82Å; N480-Y593 HydrophobicContact CB-CG 4.46Å; N480-Y593 WeakPolarHBondContact O-CA 3.24Å; L485-Y593 HydrophobicContact CB-CD1 4.06Å; L485-Y593 HydrophobicContact CB-CE1 3.66Å; L485-Y593 HydrophobicContact CD1-CE1 4.03Å; L485-Y593 HydrophobicContact CD1-CE2 3.94Å; L485-Y593 HydrophobicContact CG-CE1 4.47Å; N488-Y593 PolarHBondContact ND2-OH 2.88Å; D581-Y593 PolarHBondContact N-O 2.61Å; F582-Y593 HydrophobicContact CD2-CD2 4.49Å; F582-Y593 AromaticContact CE2-CD2 3.95Å; F582-Y593 HydrophobicContact CE2-CD2 3.95Å; F582-Y593 HydrophobicContact CE2-CG 4.32Å; F582-Y593 HydrophobicContact CZ-CD2 4.4Å; F582-Y593 HydrophobicContact CZ-CG 4.32Å; F582-Y593 PolarHBondContact N-O 2.87Å; F582-Y593 PolarHBondContact O-N 2.58Å; L584-Y593 HydrophobicContact CB-CE2 4.07Å; L584-Y593 HydrophobicContact CD1-CD2 4.26Å; L584-Y593 HydrophobicContact CD1-CE2 3.84Å; L584-Y593 HydrophobicContact CG-CD2 4.12Å; L584-Y593 HydrophobicContact CG-CE2 3.94Å; H586-Y593 AromaticContact NE2-CE2 3.59Å; H586-Y593 AromaticContact NE2-CZ 3.68Å; H586-Y593 PolarHBondContact NE2-OH 2.94Å; V591-Y593 HydrophobicContact CB-CE2 3.85Å; V591-Y593 HydrophobicContact CG1-CD2 4.38Å; V591-Y593 HydrophobicContact CG1-CE1 3.94Å; V591-Y593 HydrophobicContact CG1-CE2 3.79Å; Y593-W598 HydrophobicContact CD1-CH2 4.48Å; Y593-W598 HydrophobicContact CD1-CZ2 4.38Å; Y593-W598 HydrophobicContact CG-CH2 4.45Å |
| 594 | L | 90.9 | Very high | 84.9 | Confident | 39 Ų | 39 | 34.6 Ų | 34.6 | 20% | 0.204 | 17% | 0.171 | C | C | . | . | trans | -107.7 | 119.5 | 174 | 172.2 | 63.3 | 0 | 0 | 0 | 109.1 | L479 N480 A579 E596 W598 | L479-L594 HydrophobicContact CD2-CD2 4.27Å; N480-L594 PolarHBondContact O-N 3.5Å; A579-L594 WeakPolarHBondContact O-CD1 3.33Å; L594-E596 VanDerWaalsContact C-N 3.31Å; L594-E596 HydrophobicContact CD1-CB 4.07Å; L594-E596 HydrophobicContact CD2-CB 4.25Å; L594-E596 HydrophobicContact CG-CB 3.93Å; L594-E596 PolarHBondContact O-N 3.21Å; L594-W598 PolarHBondContact O-NE1 3.22Å | ||
| 595 | A | 90.5 | Very high | 84 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -83.7 | -0.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D554 Y557 T558 D581 Q597 W598 | D554-A595 WeakPolarHBondContact CB-O 3.26Å; Y557-A595 HydrophobicContact CD1-CB 4.26Å; Y557-A595 HydrophobicContact CE1-CB 4.36Å; T558-A595 HydrophobicContact CG2-CB 3.36Å; D581-A595 HydrophobicContact CB-CB 4.27Å; D581-A595 WeakPolarHBondContact OD2-CA 3.35Å; D581-A595 VanDerWaalsContact OD2-CB 3.26Å; D581-A595 WeakPolarHBondContact OD2-CB 3.38Å; D581-A595 PolarHBondContact OD2-N 2.58Å; A595-Q597 PolarHBondContact O-N 3.42Å; A595-W598 VanDerWaalsContact CA-CD1 3.47Å; A595-W598 HydrophobicContact CB-CD2 4.29Å; A595-W598 HydrophobicContact CB-CG 4.36Å; A595-W598 VanDerWaalsContact O-CB 3.27Å; A595-W598 WeakPolarHBondContact O-CB 3.43Å; A595-W598 VanDerWaalsContact O-CG 3.27Å; A595-W598 PolarHBondContact O-N 3.26Å; A595-W598 VanDerWaalsContact O-N 3.07Å | ||
| 596 | E | 87.4 | Confident | 83.4 | Confident | 119 Ų | 119 | 35.5 Ų | 35.5 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 128.5 | -179.8 | -170.3 | 179.5 | -173 | 0 | 0 | 112.3 | L594 W598 | L594-E596 VanDerWaalsContact C-N 3.31Å; L594-E596 HydrophobicContact CD1-CB 4.07Å; L594-E596 HydrophobicContact CD2-CB 4.25Å; L594-E596 HydrophobicContact CG-CB 3.93Å; L594-E596 PolarHBondContact O-N 3.21Å; E596-W598 PolarHBondContact O-N 2.9Å |
| 597 | Q | 83.8 | Confident | 83.1 | Confident | 56 Ų | 56 | 36.1 Ų | 36.1 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 17.1 | -176.4 | -61.2 | 175.2 | 4.9 | 0 | 0 | 115.1 | D554 A595 M600 K601 | D554-Q597 VanDerWaalsContact OD2-CA 3.28Å; D554-Q597 WeakPolarHBondContact OD2-CA 3.4Å; D554-Q597 PolarHBondContact OD2-N 2.75Å; A595-Q597 PolarHBondContact O-N 3.42Å; Q597-M600 HydrophobicContact CB-CE 4.35Å; Q597-M600 HydrophobicContact CG-CE 3.85Å; Q597-M600 PolarHBondContact O-N 2.87Å; Q597-K601 WeakPolarHBondContact O-CB 3.15Å; Q597-K601 VanDerWaalsContact O-CG 3.24Å; Q597-K601 WeakPolarHBondContact O-CG 2.9Å; Q597-K601 PolarHBondContact O-N 3.4Å |
| 598 | W | 89 | Confident | 83.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | -179.6 | -81.4 | 32.2 | 0 | 0 | 0 | 112.7 | F482 L485 L543 D554 Y557 F582 Y593 L594 A595 E596 M600 K601 N602 | F482-W598 HydrophobicContact CB-CD2 3.94Å; F482-W598 HydrophobicContact CB-CG 4.02Å; F482-W598 HydrophobicContact CB-CZ2 4.48Å; F482-W598 HydrophobicContact CD2-CD2 4.35Å; F482-W598 HydrophobicContact CD2-CE3 4.21Å; L485-W598 HydrophobicContact CB-CH2 4.21Å; L485-W598 HydrophobicContact CD2-CH2 3.57Å; L485-W598 HydrophobicContact CD2-CZ3 3.6Å; L485-W598 HydrophobicContact CG-CH2 4.44Å; L543-W598 HydrophobicContact CD1-CB 3.95Å; L543-W598 HydrophobicContact CD1-CE3 4.43Å; L543-W598 HydrophobicContact CD2-CE3 4.24Å; D554-W598 PolarHBondContact OD1-N 2.88Å; D554-W598 VanDerWaalsContact OD1-N 3.17Å; Y557-W598 AromaticContact CE1-CE3 3.66Å; Y557-W598 HydrophobicContact CE1-CE3 3.66Å; Y557-W598 HydrophobicContact CE1-CZ3 4.13Å; F582-W598 AromaticContact CE1-CH2 3.79Å; F582-W598 HydrophobicContact CE1-CH2 3.79Å; F582-W598 HydrophobicContact CE1-CZ2 4.45Å; F582-W598 HydrophobicContact CE1-CZ3 4Å; F582-W598 AromaticContact CZ-CH2 3.44Å; F582-W598 HydrophobicContact CZ-CH2 3.44Å; F582-W598 VanDerWaalsContact CZ-CH2 3.44Å; F582-W598 HydrophobicContact CZ-CZ2 4.41Å; F582-W598 AromaticContact CZ-CZ3 3.73Å; F582-W598 HydrophobicContact CZ-CZ3 3.73Å; Y593-W598 HydrophobicContact CD1-CH2 4.48Å; Y593-W598 HydrophobicContact CD1-CZ2 4.38Å; Y593-W598 HydrophobicContact CG-CH2 4.45Å; L594-W598 PolarHBondContact O-NE1 3.22Å; A595-W598 VanDerWaalsContact CA-CD1 3.47Å; A595-W598 HydrophobicContact CB-CD2 4.29Å; A595-W598 HydrophobicContact CB-CG 4.36Å; A595-W598 VanDerWaalsContact O-CB 3.27Å; A595-W598 WeakPolarHBondContact O-CB 3.43Å; A595-W598 VanDerWaalsContact O-CG 3.27Å; A595-W598 PolarHBondContact O-N 3.26Å; A595-W598 VanDerWaalsContact O-N 3.07Å; E596-W598 PolarHBondContact O-N 2.9Å; W598-M600 VanDerWaalsContact C-N 3.33Å; W598-M600 PolarHBondContact O-N 2.81Å; W598-K601 PolarHBondContact O-N 3.13Å; W598-N602 VanDerWaalsContact O-CB 3.28Å; W598-N602 WeakPolarHBondContact O-CB 2.86Å; W598-N602 PolarHBondContact O-N 2.83Å |
| 599 | L | 85.2 | Confident | 83.6 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 177.5 | -65.7 | 176.9 | 0 | 0 | 0 | 110.8 | L543 E546 A552 D554 K601 N602 M603 | L543-L599 HydrophobicContact CD1-CD2 3.83Å; E546-L599 HydrophobicContact CB-CD2 3.64Å; A552-L599 HydrophobicContact CB-CD1 3.98Å; D554-L599 WeakPolarHBondContact OD1-CG 3.33Å; D554-L599 PolarHBondContact OD1-N 2.81Å; L599-K601 PolarHBondContact O-N 2.75Å; L599-N602 PolarHBondContact O-N 3.36Å; L599-M603 WeakPolarHBondContact O-CB 3.38Å; L599-M603 WeakPolarHBondContact O-CG 3.39Å; L599-M603 PolarHBondContact O-N 2.63Å |
| 600 | M | 78.3 | Confident | 84 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 40% | 0.404 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.2 | -68.4 | -154.7 | -69.2 | 0 | 0 | 112.8 | F430 Q597 W598 N602 D604 | F430-M600 HydrophobicContact CD2-CE 4.48Å; F430-M600 HydrophobicContact CD2-SD 4.22Å; F430-M600 HydrophobicContact CE2-CB 4.19Å; F430-M600 HydrophobicContact CE2-CE 4.4Å; F430-M600 HydrophobicContact CE2-SD 3.95Å; F430-M600 HydrophobicContact CZ-CB 4.49Å; Q597-M600 HydrophobicContact CB-CE 4.35Å; Q597-M600 HydrophobicContact CG-CE 3.85Å; Q597-M600 PolarHBondContact O-N 2.87Å; W598-M600 VanDerWaalsContact C-N 3.33Å; W598-M600 PolarHBondContact O-N 2.81Å; M600-N602 VanDerWaalsContact C-N 3.32Å; M600-D604 WeakPolarHBondContact O-CA 3.31Å; M600-D604 PolarHBondContact O-N 3.48Å |
| 601 | K | 81 | Confident | 84 | Confident | 49 Ų | 49 | 32.3 Ų | 32.3 | 21% | 0.213 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -34.5 | 175.8 | -75.5 | 177.9 | 174 | -157.6 | 0 | 112.6 | S481 F482 E483 Q597 W598 L599 | S481-K601 PolarHBondContact OG-NZ 2.81Å; F482-K601 HydrophobicContact CB-CD 4.27Å; F482-K601 HydrophobicContact CD1-CB 4.29Å; E483-K601 IonicContact OE1-NZ 3.69Å; E483-K601 PolarHBondContact OE1-NZ 2.68Å; E483-K601 IonicContact OE2-NZ 3.18Å; E483-K601 PolarHBondContact OE2-NZ 2.64Å; Q597-K601 WeakPolarHBondContact O-CB 3.15Å; Q597-K601 VanDerWaalsContact O-CG 3.24Å; Q597-K601 WeakPolarHBondContact O-CG 2.9Å; Q597-K601 PolarHBondContact O-N 3.4Å; W598-K601 PolarHBondContact O-N 3.13Å; L599-K601 PolarHBondContact O-N 2.75Å |
| 602 | N | 82.8 | Confident | 84 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -81.1 | -33.8 | -178.9 | -167.1 | 41.6 | 0 | 0 | 0 | 112.8 | F482 L543 D544 C547 W598 L599 M600 T655 V656 S657 | F482-N602 HydrophobicContact CZ-CB 4.44Å; L543-N602 HydrophobicContact CD2-CB 3.93Å; L543-N602 HydrophobicContact CG-CB 4.22Å; D544-N602 PolarHBondContact OD1-ND2 2.59Å; C547-N602 PolarHBondContact SG-ND2 2.99Å; C547-N602 VanDerWaalsContact SG-ND2 3.36Å; W598-N602 VanDerWaalsContact O-CB 3.28Å; W598-N602 WeakPolarHBondContact O-CB 2.86Å; W598-N602 PolarHBondContact O-N 2.83Å; L599-N602 PolarHBondContact O-N 3.36Å; M600-N602 VanDerWaalsContact C-N 3.32Å; N602-T655 WeakPolarHBondContact ND2-CB 2.8Å; N602-T655 WeakPolarHBondContact O-CA 3.18Å; N602-V656 PolarHBondContact O-N 2.54Å; N602-V656 PolarHBondContact OD1-N 3.36Å; N602-S657 PolarHBondContact ND2-OG 2.68Å; N602-S657 VanDerWaalsContact OD1-CB 3.3Å; N602-S657 WeakPolarHBondContact OD1-CB 3.3Å; N602-S657 PolarHBondContact OD1-N 3.03Å; N602-S657 PolarHBondContact OD1-OG 2.64Å |
| 603 | M | 75.6 | Confident | 83.9 | Confident | 66 Ų | 66 | 33.6 Ų | 33.6 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -73.9 | -38.3 | 171.9 | -69.3 | -173.9 | 81.7 | 0 | 0 | 112.6 | C547 L599 I634 F653 | C547-M603 HydrophobicContact CB-CG 3.75Å; C547-M603 HydrophobicContact CB-SD 4.39Å; L599-M603 WeakPolarHBondContact O-CB 3.38Å; L599-M603 WeakPolarHBondContact O-CG 3.39Å; L599-M603 PolarHBondContact O-N 2.63Å; M603-I634 HydrophobicContact CE-CD1 4.24Å; M603-F653 HydrophobicContact CE-CD1 4.23Å; M603-F653 HydrophobicContact CE-CE1 3.97Å |
| 604 | D | 75.1 | Confident | 83.9 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | trans | 41.4 | 56.2 | -174.8 | -160.9 | 47.9 | 0 | 0 | 0 | 114.1 | K279 K437 M600 L606 V656 | K279-D604 VanDerWaalsContact CE-OD2 3.27Å; K279-D604 WeakPolarHBondContact CE-OD2 3.35Å; K279-D604 IonicContact NZ-OD2 3.17Å; K279-D604 PolarHBondContact NZ-OD2 2.72Å; K437-D604 IonicContact NZ-OD1 2.8Å; K437-D604 PolarHBondContact NZ-OD1 2.93Å; M600-D604 WeakPolarHBondContact O-CA 3.31Å; M600-D604 PolarHBondContact O-N 3.48Å; D604-L606 PolarHBondContact O-N 3.12Å; D604-V656 HydrophobicContact CB-CG2 4.11Å | ||
| 605 | P | 72 | Confident | 83.8 | Confident | 32 Ų | 32 | 34.1 Ų | 34.1 | 21% | 0.208 | 18% | 0.175 | C | C | . | . | trans | -68.9 | 134.4 | -170.5 | 24.9 | -30.7 | 0 | 0 | 0 | 112.7 | F430 A434 I634 | F430-P605 HydrophobicContact CE1-CG 3.71Å; F430-P605 HydrophobicContact CZ-CG 3.98Å; A434-P605 WeakPolarHBondContact CB-O 3.39Å; P605-I634 HydrophobicContact CB-CD1 3.35Å; P605-I634 HydrophobicContact CB-CG1 4.14Å; P605-I634 HydrophobicContact CG-CD1 4.12Å | ||
| 606 | L | 77.7 | Confident | 83.8 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | trans | -106.2 | 145.3 | 178.2 | -59.4 | 173.7 | 0 | 0 | 0 | 109.9 | A434 I435 A438 D604 E608 V611 A632 | A434-L606 HydrophobicContact CB-CD2 4.06Å; I435-L606 HydrophobicContact CD1-CB 4.23Å; I435-L606 HydrophobicContact CD1-CD2 3.84Å; A438-L606 HydrophobicContact CB-CD1 4.14Å; A438-L606 HydrophobicContact CB-CD2 3.68Å; D604-L606 PolarHBondContact O-N 3.12Å; L606-E608 PolarHBondContact O-N 2.52Å; L606-V611 HydrophobicContact CB-CG2 4.15Å; L606-A632 HydrophobicContact CB-CB 4.08Å; L606-A632 HydrophobicContact CD1-CB 3.84Å; L606-A632 HydrophobicContact CG-CB 4.48Å | ||
| 607 | N | 81.7 | Confident | 84 | Confident | 21 Ų | 21 | 35.4 Ų | 35.4 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | trans | -77.6 | 106.3 | 176 | -177 | -23.5 | 0 | 0 | 0 | 109.9 | A406 S431 I435 N609 V610 V611 | A406-N607 PolarHBondContact O-ND2 2.73Å; S431-N607 WeakPolarHBondContact OG-CB 3.43Å; S431-N607 PolarHBondContact OG-ND2 3.01Å; I435-N607 HydrophobicContact CD1-CB 4.28Å; N607-N609 PolarHBondContact O-N 2.87Å; N607-N609 WeakPolarHBondContact OD1-CB 3.5Å; N607-N609 PolarHBondContact OD1-N 2.97Å; N607-N609 VanDerWaalsContact OD1-N 3.16Å; N607-V610 HydrophobicContact CB-CB 4.32Å; N607-V610 HydrophobicContact CB-CG2 4.04Å; N607-V610 PolarHBondContact O-N 3.07Å; N607-V611 PolarHBondContact O-N 2.95Å | ||
| 608 | E | 80.9 | Confident | 84.5 | Confident | 61 Ų | 61 | 37.5 Ų | 37.5 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -50.8 | -39 | -178.7 | -67.3 | 174.2 | -150.2 | 0 | 0 | 112.9 | L606 V610 V611 A612 G633 I634 G635 | L606-E608 PolarHBondContact O-N 2.52Å; E608-V610 VanDerWaalsContact C-N 3.33Å; E608-V610 PolarHBondContact O-N 2.69Å; E608-V611 PolarHBondContact O-N 3.13Å; E608-A612 WeakPolarHBondContact O-CB 3.3Å; E608-A612 PolarHBondContact O-N 2.71Å; E608-G633 VanDerWaalsContact CD-CA 3.48Å; E608-G633 WeakPolarHBondContact OE1-CA 3.38Å; E608-I634 PolarHBondContact OE1-N 3.49Å; E608-G635 PolarHBondContact OE1-N 2.87Å; E608-G635 VanDerWaalsContact OE1-N 3.13Å |
| 609 | N | 86.4 | Confident | 84.6 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 179.4 | -60.4 | 82.4 | 0 | 0 | 0 | 111.8 | A406 R411 N607 L613 | A406-N609 HydrophobicContact CB-CB 3.82Å; R411-N609 WeakPolarHBondContact CB-ND2 3.11Å; R411-N609 PolarHBondContact N-ND2 3.24Å; R411-N609 VanDerWaalsContact N-ND2 3.19Å; R411-N609 PolarHBondContact N-OD1 2.8Å; R411-N609 PolarHBondContact O-ND2 3Å; R411-N609 VanDerWaalsContact O-ND2 3.08Å; R411-N609 PolarHBondContact O-OD1 2.84Å; N607-N609 PolarHBondContact O-N 2.87Å; N607-N609 WeakPolarHBondContact OD1-CB 3.5Å; N607-N609 PolarHBondContact OD1-N 2.97Å; N607-N609 VanDerWaalsContact OD1-N 3.16Å; N609-L613 VanDerWaalsContact O-CG 3.3Å; N609-L613 WeakPolarHBondContact O-CG 3.23Å; N609-L613 PolarHBondContact O-N 3.37Å; N609-L613 VanDerWaalsContact O-N 3.14Å |
| 610 | V | 88.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.3 | -38.6 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | L403 A406 L407 I435 N607 E608 L613 L614 | L403-V610 HydrophobicContact CD1-CG1 3.91Å; L403-V610 HydrophobicContact CD1-CG2 4.31Å; A406-V610 HydrophobicContact CB-CG2 3.76Å; L407-V610 HydrophobicContact CD2-CG2 3.91Å; L407-V610 HydrophobicContact CG-CG2 4.27Å; I435-V610 HydrophobicContact CG1-CB 4.11Å; I435-V610 HydrophobicContact CG1-CG1 3.73Å; I435-V610 HydrophobicContact CG2-CG1 4.19Å; N607-V610 HydrophobicContact CB-CB 4.32Å; N607-V610 HydrophobicContact CB-CG2 4.04Å; N607-V610 PolarHBondContact O-N 3.07Å; E608-V610 VanDerWaalsContact C-N 3.33Å; E608-V610 PolarHBondContact O-N 2.69Å; V610-L613 PolarHBondContact O-N 2.88Å; V610-L614 HydrophobicContact CG1-CD1 4.06Å; V610-L614 WeakPolarHBondContact O-CG 3.42Å; V610-L614 PolarHBondContact O-N 3.35Å |
| 611 | V | 87.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L606 N607 E608 L613 L614 Q615 W626 A629 A632 | L606-V611 HydrophobicContact CB-CG2 4.15Å; N607-V611 PolarHBondContact O-N 2.95Å; E608-V611 PolarHBondContact O-N 3.13Å; V611-L613 VanDerWaalsContact C-N 3.28Å; V611-L613 PolarHBondContact O-N 3.02Å; V611-L614 PolarHBondContact O-N 3.31Å; V611-L614 VanDerWaalsContact O-N 3.1Å; V611-Q615 HydrophobicContact CG1-CG 4.48Å; V611-Q615 WeakPolarHBondContact O-CG 3.48Å; V611-Q615 PolarHBondContact O-N 3.23Å; V611-W626 HydrophobicContact CB-CZ3 4.49Å; V611-W626 HydrophobicContact CG1-CE3 4Å; V611-W626 HydrophobicContact CG1-CZ3 4.17Å; V611-W626 HydrophobicContact CG2-CE3 4.45Å; V611-W626 HydrophobicContact CG2-CZ3 3.85Å; V611-A629 HydrophobicContact CG1-CB 3.57Å; V611-A632 HydrophobicContact CG2-CB 4.42Å |
| 612 | A | 86.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 36.6 Ų | 36.6 | 33% | 0.331 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.8 | -34.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E608 N616 | E608-A612 WeakPolarHBondContact O-CB 3.3Å; E608-A612 PolarHBondContact O-N 2.71Å; A612-N616 PolarHBondContact O-N 3.38Å; A612-N616 PolarHBondContact O-ND2 2.95Å |
| 613 | L | 89.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 172.7 | -72.6 | 171.2 | 0 | 0 | 0 | 111.9 | L398 E402 A406 N609 V610 V611 N616 S617 | L398-L613 HydrophobicContact CD2-CB 4.41Å; L398-L613 WeakPolarHBondContact CD2-O 3.33Å; E402-L613 HydrophobicContact CB-CD1 4Å; E402-L613 HydrophobicContact CB-CD2 3.79Å; E402-L613 HydrophobicContact CG-CD2 4.5Å; A406-L613 HydrophobicContact CB-CD1 3.84Å; N609-L613 VanDerWaalsContact O-CG 3.3Å; N609-L613 WeakPolarHBondContact O-CG 3.23Å; N609-L613 PolarHBondContact O-N 3.37Å; N609-L613 VanDerWaalsContact O-N 3.14Å; V610-L613 PolarHBondContact O-N 2.88Å; V611-L613 VanDerWaalsContact C-N 3.28Å; V611-L613 PolarHBondContact O-N 3.02Å; L613-N616 CarbonylContact O-C 3.58Å; L613-N616 PolarHBondContact O-N 3.24Å; L613-S617 PolarHBondContact O-N 2.77Å; L613-S617 VanDerWaalsContact O-N 3.09Å |
| 614 | L | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | 177.5 | -70.8 | 162.4 | 0 | 0 | 0 | 112.3 | L396 L398 I435 V610 V611 N616 S617 V622 W626 | L396-L614 HydrophobicContact CD1-CD2 4.17Å; L398-L614 HydrophobicContact CD1-CD2 3.84Å; L398-L614 HydrophobicContact CD1-CG 4.46Å; L398-L614 HydrophobicContact CD2-CD2 4.29Å; I435-L614 HydrophobicContact CG2-CD1 4.49Å; V610-L614 HydrophobicContact CG1-CD1 4.06Å; V610-L614 WeakPolarHBondContact O-CG 3.42Å; V610-L614 PolarHBondContact O-N 3.35Å; V611-L614 PolarHBondContact O-N 3.31Å; V611-L614 VanDerWaalsContact O-N 3.1Å; L614-N616 VanDerWaalsContact C-N 3.26Å; L614-N616 PolarHBondContact O-N 2.78Å; L614-S617 WeakPolarHBondContact O-CB 3.38Å; L614-S617 PolarHBondContact O-N 3.28Å; L614-V622 HydrophobicContact CB-CG1 4.36Å; L614-V622 HydrophobicContact CD2-CG1 3.74Å; L614-W626 HydrophobicContact CB-CB 4.31Å; L614-W626 HydrophobicContact CB-CD2 4.02Å; L614-W626 HydrophobicContact CB-CG 3.78Å; L614-W626 HydrophobicContact CD1-CD2 4.11Å; L614-W626 HydrophobicContact CD1-CH2 4.19Å; L614-W626 HydrophobicContact CD1-CZ2 3.68Å |
| 615 | Q | 89.1 | Confident | 87.9 | Confident | 49 Ų | 49 | 39.5 Ų | 39.5 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -30.7 | 173.2 | -75.2 | 176.6 | -44.6 | 0 | 0 | 112.8 | V611 W626 | V611-Q615 HydrophobicContact CG1-CG 4.48Å; V611-Q615 WeakPolarHBondContact O-CG 3.48Å; V611-Q615 PolarHBondContact O-N 3.23Å; Q615-W626 HydrophobicContact CG-CB 4.08Å; Q615-W626 WeakPolarHBondContact CG-O 3.49Å; Q615-W626 PolarHBondContact NE2-O 2.88Å |
| 616 | N | 89.8 | Confident | 88.7 | Confident | 136 Ų | 136 | 38 Ų | 38 | 73% | 0.727 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 23.7 | 178.3 | -63.7 | -61.4 | 0 | 0 | 0 | 112.8 | A612 L613 L614 | A612-N616 PolarHBondContact O-N 3.38Å; A612-N616 PolarHBondContact O-ND2 2.95Å; L613-N616 CarbonylContact O-C 3.58Å; L613-N616 PolarHBondContact O-N 3.24Å; L614-N616 VanDerWaalsContact C-N 3.26Å; L614-N616 PolarHBondContact O-N 2.78Å |
| 617 | S | 92.4 | Very high | 88.8 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | trans | -61.5 | 150.9 | 176.2 | 168 | 0 | 0 | 0 | 0 | 111.6 | L396 G397 L613 L614 D619 V623 | L396-S617 PolarHBondContact O-OG 2.8Å; G397-S617 PolarHBondContact O-OG 3.33Å; L613-S617 PolarHBondContact O-N 2.77Å; L613-S617 VanDerWaalsContact O-N 3.09Å; L614-S617 WeakPolarHBondContact O-CB 3.38Å; L614-S617 PolarHBondContact O-N 3.28Å; S617-D619 PolarHBondContact O-N 3.32Å; S617-D619 PolarHBondContact OG-N 2.93Å; S617-V623 VanDerWaalsContact O-CG2 3.24Å; S617-V623 WeakPolarHBondContact O-CG2 2.85Å | ||
| 618 | S | 93.1 | Very high | 88.4 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 70% | 0.699 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -73 | -12.2 | 170.7 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | G397 P620 | G397-S618 VanDerWaalsContact CA-OG 3.24Å; G397-S618 WeakPolarHBondContact CA-OG 3.5Å; G397-S618 PolarHBondContact O-N 2.9Å; G397-S618 PolarHBondContact O-OG 3.45Å; S618-P620 WeakPolarHBondContact O-CD 3.4Å |
| 619 | D | 91.1 | Very high | 87.7 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | trans | -91.2 | 114.5 | 177.1 | -173.3 | -18.7 | 0 | 0 | 0 | 110.8 | R359 S617 F621 V622 V623 | R359-D619 IonicContact CZ-OD2 2.71Å; R359-D619 IonicContact NE-OD2 2.86Å; R359-D619 PolarHBondContact NE-OD2 3.45Å; R359-D619 IonicContact NH2-OD1 3.01Å; R359-D619 IonicContact NH2-OD2 3.02Å; R359-D619 PolarHBondContact NH2-OD2 2.91Å; S617-D619 PolarHBondContact O-N 3.32Å; S617-D619 PolarHBondContact OG-N 2.93Å; D619-F621 PolarHBondContact O-N 2.94Å; D619-F621 VanDerWaalsContact O-N 3.13Å; D619-F621 WeakPolarHBondContact OD1-CB 3.24Å; D619-F621 PolarHBondContact OD1-N 2.86Å; D619-V622 HydrophobicContact CB-CB 4.16Å; D619-V622 HydrophobicContact CB-CG2 3.83Å; D619-V622 PolarHBondContact O-N 3.35Å; D619-V623 PolarHBondContact O-N 3.48Å; D619-V623 VanDerWaalsContact O-N 3.09Å | ||
| 620 | P | 92 | Very high | 86.1 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 59% | 0.591 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.4 | -29.5 | 179.8 | -24.2 | 33.9 | 0 | 0 | 0 | 114.1 | S618 N624 | S618-P620 WeakPolarHBondContact O-CD 3.4Å; P620-N624 WeakPolarHBondContact O-CB 3.37Å; P620-N624 VanDerWaalsContact O-CG 3.23Å; P620-N624 PolarHBondContact O-N 3.33Å; P620-N624 PolarHBondContact O-ND2 2.83Å; P620-N624 VanDerWaalsContact O-ND2 3.09Å |
| 621 | F | 92.9 | Very high | 84.3 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 177.3 | -178.7 | -104.3 | 0 | 0 | 0 | 111.3 | A356 I357 V360 W446 D619 N624 I625 | A356-F621 HydrophobicContact CB-CB 3.72Å; A356-F621 HydrophobicContact CB-CD1 3.72Å; A356-F621 HydrophobicContact CB-CD2 4.1Å; A356-F621 HydrophobicContact CB-CE1 4.35Å; A356-F621 HydrophobicContact CB-CG 3.57Å; I357-F621 HydrophobicContact CG1-CE1 4.47Å; I357-F621 HydrophobicContact CG1-CE2 4.33Å; I357-F621 HydrophobicContact CG1-CZ 3.8Å; V360-F621 HydrophobicContact CG2-CD1 4.01Å; V360-F621 HydrophobicContact CG2-CE1 3.81Å; W446-F621 AromaticContact CD2-CE2 3.66Å; W446-F621 HydrophobicContact CD2-CE2 3.66Å; W446-F621 HydrophobicContact CD2-CZ 4.18Å; W446-F621 AromaticContact CE2-CE2 3.67Å; W446-F621 AromaticContact CE3-CE2 3.65Å; W446-F621 HydrophobicContact CE3-CE2 3.65Å; W446-F621 AromaticContact CE3-CZ 3.95Å; W446-F621 HydrophobicContact CE3-CZ 3.95Å; W446-F621 HydrophobicContact CG-CE2 4.39Å; W446-F621 AromaticContact CH2-CE2 3.78Å; W446-F621 HydrophobicContact CH2-CE2 3.78Å; W446-F621 HydrophobicContact CZ2-CD2 4.28Å; W446-F621 AromaticContact CZ2-CE2 3.75Å; W446-F621 HydrophobicContact CZ2-CE2 3.75Å; W446-F621 AromaticContact CZ3-CE2 3.73Å; W446-F621 HydrophobicContact CZ3-CE2 3.73Å; W446-F621 HydrophobicContact CZ3-CZ 4.24Å; D619-F621 PolarHBondContact O-N 2.94Å; D619-F621 VanDerWaalsContact O-N 3.13Å; D619-F621 WeakPolarHBondContact OD1-CB 3.24Å; D619-F621 PolarHBondContact OD1-N 2.86Å; F621-N624 PolarHBondContact O-N 2.79Å; F621-I625 HydrophobicContact CE1-CD1 4.49Å; F621-I625 HydrophobicContact CE1-CG2 4.27Å; F621-I625 HydrophobicContact CE2-CG2 4.36Å; F621-I625 HydrophobicContact CZ-CG2 4.09Å; F621-I625 PolarHBondContact O-N 3.38Å; F621-I625 VanDerWaalsContact O-N 3.11Å |
| 622 | V | 92.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 177.6 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | L396 L614 D619 N624 I625 W626 | L396-V622 HydrophobicContact CD2-CG2 4.11Å; L614-V622 HydrophobicContact CB-CG1 4.36Å; L614-V622 HydrophobicContact CD2-CG1 3.74Å; D619-V622 HydrophobicContact CB-CB 4.16Å; D619-V622 HydrophobicContact CB-CG2 3.83Å; D619-V622 PolarHBondContact O-N 3.35Å; V622-N624 VanDerWaalsContact C-N 3.32Å; V622-N624 PolarHBondContact O-N 2.87Å; V622-I625 WeakPolarHBondContact O-CG1 2.77Å; V622-I625 PolarHBondContact O-N 2.95Å; V622-W626 VanDerWaalsContact O-CD1 3.26Å; V622-W626 PolarHBondContact O-N 3.48Å; V622-W626 VanDerWaalsContact O-N 3.15Å |
| 623 | V | 91.1 | Very high | 80.2 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 28% | 0.279 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 174 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | S617 D619 I625 W626 K627 | S617-V623 VanDerWaalsContact O-CG2 3.24Å; S617-V623 WeakPolarHBondContact O-CG2 2.85Å; D619-V623 PolarHBondContact O-N 3.48Å; D619-V623 VanDerWaalsContact O-N 3.09Å; V623-I625 PolarHBondContact O-N 3.3Å; V623-W626 CarbonylContact O-C 3.51Å; V623-W626 PolarHBondContact O-N 2.92Å; V623-K627 WeakPolarHBondContact O-CB 2.81Å; V623-K627 PolarHBondContact O-N 3.42Å |
| 624 | N | 88.6 | Confident | 77.9 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | -178.5 | -81 | -34.4 | 0 | 0 | 0 | 114.4 | P620 F621 V622 K627 | P620-N624 WeakPolarHBondContact O-CB 3.37Å; P620-N624 VanDerWaalsContact O-CG 3.23Å; P620-N624 PolarHBondContact O-N 3.33Å; P620-N624 PolarHBondContact O-ND2 2.83Å; P620-N624 VanDerWaalsContact O-ND2 3.09Å; F621-N624 PolarHBondContact O-N 2.79Å; V622-N624 VanDerWaalsContact C-N 3.32Å; V622-N624 PolarHBondContact O-N 2.87Å; N624-K627 WeakPolarHBondContact O-CG 2.79Å |
| 625 | I | 90.4 | Very high | 75.4 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.9 | -20.3 | 177.3 | 64.8 | 171.8 | 0 | 0 | 0 | 112.5 | V360 R442 W446 F621 V622 V623 | V360-I625 HydrophobicContact CG2-CD1 4.47Å; R442-I625 HydrophobicContact CB-CB 4.33Å; R442-I625 WeakPolarHBondContact CD-O 3.1Å; R442-I625 PolarHBondContact NH1-O 2.92Å; W446-I625 HydrophobicContact CB-CG2 3.85Å; W446-I625 HydrophobicContact CG-CG2 3.94Å; F621-I625 HydrophobicContact CE1-CD1 4.49Å; F621-I625 HydrophobicContact CE1-CG2 4.27Å; F621-I625 HydrophobicContact CE2-CG2 4.36Å; F621-I625 HydrophobicContact CZ-CG2 4.09Å; F621-I625 PolarHBondContact O-N 3.38Å; F621-I625 VanDerWaalsContact O-N 3.11Å; V622-I625 WeakPolarHBondContact O-CG1 2.77Å; V622-I625 PolarHBondContact O-N 2.95Å; V623-I625 PolarHBondContact O-N 3.3Å |
| 626 | W | 88.9 | Confident | 72.9 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -104.8 | -6.1 | -179.6 | -72.9 | 102.3 | 0 | 0 | 0 | 114.9 | A438 V611 L614 Q615 V622 V623 D628 A629 | A438-W626 HydrophobicContact CB-CH2 3.73Å; A438-W626 HydrophobicContact CB-CZ2 4.33Å; V611-W626 HydrophobicContact CB-CZ3 4.49Å; V611-W626 HydrophobicContact CG1-CE3 4Å; V611-W626 HydrophobicContact CG1-CZ3 4.17Å; V611-W626 HydrophobicContact CG2-CE3 4.45Å; V611-W626 HydrophobicContact CG2-CZ3 3.85Å; L614-W626 HydrophobicContact CB-CB 4.31Å; L614-W626 HydrophobicContact CB-CD2 4.02Å; L614-W626 HydrophobicContact CB-CG 3.78Å; L614-W626 HydrophobicContact CD1-CD2 4.11Å; L614-W626 HydrophobicContact CD1-CH2 4.19Å; L614-W626 HydrophobicContact CD1-CZ2 3.68Å; Q615-W626 HydrophobicContact CG-CB 4.08Å; Q615-W626 WeakPolarHBondContact CG-O 3.49Å; Q615-W626 PolarHBondContact NE2-O 2.88Å; V622-W626 VanDerWaalsContact O-CD1 3.26Å; V622-W626 PolarHBondContact O-N 3.48Å; V622-W626 VanDerWaalsContact O-N 3.15Å; V623-W626 CarbonylContact O-C 3.51Å; V623-W626 PolarHBondContact O-N 2.92Å; W626-D628 VanDerWaalsContact C-N 3.28Å; W626-D628 PolarHBondContact O-N 3.09Å; W626-A629 HydrophobicContact CE3-CB 3.71Å; W626-A629 HydrophobicContact CZ3-CB 4.32Å; W626-A629 WeakPolarHBondContact O-CB 3.13Å; W626-A629 PolarHBondContact O-N 3.48Å; W626-A629 VanDerWaalsContact O-N 3.1Å |
| 627 | K | 80.9 | Confident | 70.3 | Confident | 118 Ų | 118 | 60 Ų | 60 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -41.9 | -178.4 | 70.6 | -177.6 | -173.7 | 164.8 | 0 | 113.8 | V623 N624 A629 | V623-K627 WeakPolarHBondContact O-CB 2.81Å; V623-K627 PolarHBondContact O-N 3.42Å; N624-K627 WeakPolarHBondContact O-CG 2.79Å; K627-A629 VanDerWaalsContact C-N 3.29Å; K627-A629 PolarHBondContact O-N 3.06Å |
| 628 | D | 71.5 | Confident | 67.7 | Low | 122 Ų | 122 | 64.7 Ų | 64.7 | 65% | 0.652 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 28.1 | -176.3 | -52.9 | -44.1 | 0 | 0 | 0 | 112.3 | W626 | W626-D628 VanDerWaalsContact C-N 3.28Å; W626-D628 PolarHBondContact O-N 3.09Å |
| 629 | A | 67.2 | Low | 64.8 | Low | 3 Ų | 3 | 61.4 Ų | 61.4 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | trans | -92.8 | 11.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | R442 V611 W626 K627 F631 | R442-A629 VanDerWaalsContact NH2-CA 3.29Å; V611-A629 HydrophobicContact CG1-CB 3.57Å; W626-A629 HydrophobicContact CE3-CB 3.71Å; W626-A629 HydrophobicContact CZ3-CB 4.32Å; W626-A629 WeakPolarHBondContact O-CB 3.13Å; W626-A629 PolarHBondContact O-N 3.48Å; W626-A629 VanDerWaalsContact O-N 3.1Å; K627-A629 VanDerWaalsContact C-N 3.29Å; K627-A629 PolarHBondContact O-N 3.06Å; A629-F631 PolarHBondContact O-N 3.42Å | ||
| 630 | E | 52.7 | Low | 62.1 | Low | 142 Ų | 142 | 66.4 Ų | 66.4 | 66% | 0.664 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -11.4 | -170.7 | -63.6 | -177.8 | 163.2 | 0 | 0 | 115.6 | ||
| 631 | F | 50.1 | Low | 59.6 | Low | 175 Ų | 175 | 68 Ų | 68 | 77% | 0.768 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 22.6 | -172.4 | -57.4 | -76.1 | 0 | 0 | 0 | 115.2 | A629 | A629-F631 PolarHBondContact O-N 3.42Š|
| 632 | A | 48.1 | Very low | 56.7 | Low | 24 Ų | 24 | 73.8 Ų | 73.8 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | trans | -96 | 4.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L606 V611 | L606-A632 HydrophobicContact CB-CB 4.08Å; L606-A632 HydrophobicContact CD1-CB 3.84Å; L606-A632 HydrophobicContact CG-CB 4.48Å; V611-A632 HydrophobicContact CG2-CB 4.42Å | ||
| 633 | G | 40.4 | Very low | 53.8 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | trans | -115.7 | 139.6 | -163 | 0 | 0 | 0 | 0 | 0 | 116.9 | E608 G635 | E608-G633 VanDerWaalsContact CD-CA 3.48Å; E608-G633 WeakPolarHBondContact OE1-CA 3.38Å; G633-G635 VanDerWaalsContact C-N 3.35Å | ||
| 634 | I | 42.6 | Very low | 50.8 | Low | 95 Ų | 95 | 85.3 Ų | 85.3 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -78.5 | -12.8 | 178.7 | -68.2 | 175 | 0 | 0 | 0 | 112.4 | M603 P605 E608 F653 | M603-I634 HydrophobicContact CE-CD1 4.24Å; P605-I634 HydrophobicContact CB-CD1 3.35Å; P605-I634 HydrophobicContact CB-CG1 4.14Å; P605-I634 HydrophobicContact CG-CD1 4.12Å; E608-I634 PolarHBondContact OE1-N 3.49Å; I634-F653 HydrophobicContact CG1-CE1 4.21Å; I634-F653 HydrophobicContact CG2-CZ 4.44Å |
| 635 | G | 39.1 | Very low | 48 | Very low | 14 Ų | 14 | 84.8 Ų | 84.8 | 14% | 0.144 | 48% | 0.48 | C | S | . | . | trans | -100.5 | -6.7 | -160.4 | 0 | 0 | 0 | 0 | 0 | 119 | E608 G633 | E608-G635 PolarHBondContact OE1-N 2.87Å; E608-G635 VanDerWaalsContact OE1-N 3.13Å; G633-G635 VanDerWaalsContact C-N 3.35Å | ||
| 636 | V | 36 | Very low | 45 | Very low | 67 Ų | 67 | 90.6 Ų | 90.6 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | trans | -109.3 | 71.4 | -167.4 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 637 | T | 34.6 | Very low | 42.2 | Very low | 90 Ų | 90 | 101 Ų | 101 | 55% | 0.552 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -82.9 | -15.1 | 175.1 | 28.6 | 0 | 0 | 0 | 0 | 115.2 | M652 | T637-M652 HydrophobicContact CG2-CE 3.5Š|
| 638 | E | 37.2 | Very low | 39.8 | Very low | 109 Ų | 109 | 99.6 Ų | 99.6 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -162.6 | 114.1 | -180 | -105.4 | 151.6 | -149.5 | 0 | 0 | 112.6 | ||
| 639 | G | 33.4 | Very low | 37.9 | Very low | 30 Ų | 30 | 103.1 Ų | 103.1 | 31% | 0.309 | 56% | 0.56 | S | S | . | * | trans | 92.1 | 69.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | K413 | K413-G639 PolarHBondContact NZ-O 2.84Š| ||
| 640 | N | 33.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 109.3 Ų | 109.3 | 66% | 0.663 | 59% | 0.586 | S | S | * | * | trans | -153.5 | 110.2 | 139.4 | -106.3 | 4.7 | 0 | 0 | 0 | 111.3 | ||||
| 641 | E | 39.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 104.9 Ų | 104.9 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | trans | -76.2 | 127.2 | 164 | -57.9 | 171.2 | 141 | 0 | 0 | 109.1 | ||||
| 642 | T | 33.8 | Very low | 34.9 | Very low | 138 Ų | 138 | 102.7 Ų | 102.7 | 85% | 0.847 | 57% | 0.572 | S | S | * | * | trans | -152.1 | 102.8 | 149.2 | 45 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 643 | A | 29.8 | Very low | 35.1 | Very low | 92 Ų | 92 | 105.2 Ų | 105.2 | 76% | 0.76 | 58% | 0.579 | S | S | * | * | trans | 30.6 | 99.1 | 148 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 644 | F | 28.4 | Very low | 36.2 | Very low | 195 Ų | 195 | 109.7 Ų | 109.7 | 86% | 0.855 | 59% | 0.587 | S | S | * | * | trans | 153.1 | 109.7 | 133.5 | -100.6 | -91.3 | 0 | 0 | 0 | 110.8 | ||||
| 645 | G | 29.4 | Very low | 37.7 | Very low | 75 Ų | 75 | 105.4 Ų | 105.4 | 77% | 0.773 | 57% | 0.565 | S | S | * | * | trans | 107.5 | 104.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | R647 | G645-R647 PolarHBondContact O-N 3.15Š| ||
| 646 | I | 28.4 | Very low | 39.6 | Very low | 134 Ų | 134 | 106.5 Ų | 106.5 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | trans | -61.1 | 110.4 | 172.6 | -62 | 156.5 | 0 | 0 | 0 | 111.8 | ||||
| 647 | R | 29.5 | Very low | 41.8 | Very low | 221 Ų | 221 | 103.3 Ų | 103.3 | 83% | 0.834 | 55% | 0.55 | S | S | * | . | trans | -148.8 | 94.2 | 151 | -80.9 | -166.4 | -180 | 167.1 | 1.3 | 111 | G645 | G645-R647 PolarHBondContact O-N 3.15Š| ||
| 648 | T | 32.1 | Very low | 44 | Very low | 87 Ų | 87 | 101.6 Ų | 101.6 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | trans | 23.4 | 108.5 | 157.2 | 52.6 | 0 | 0 | 0 | 0 | 118 | K650 | T648-K650 PolarHBondContact O-N 2.64Š| ||
| 649 | K | 29.8 | Very low | 46 | Very low | 197 Ų | 197 | 99.2 Ų | 99.2 | 86% | 0.857 | 53% | 0.526 | S | S | * | . | trans | -62.3 | 61.1 | 164.5 | -70.1 | 176.3 | 173.6 | 171.5 | 0 | 112.9 | ||||
| 650 | K | 29.4 | Very low | 48.2 | Very low | 132 Ų | 132 | 98.2 Ų | 98.2 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | trans | -117.3 | 105.8 | 165 | -82.3 | -171.5 | 175 | -176.2 | 0 | 109 | T648 E1615 | T648-K650 PolarHBondContact O-N 2.64Å; K650-E1615 IonicContact NZ-OE2 3.1Å; K650-E1615 PolarHBondContact NZ-OE2 3.05Å | ||
| 651 | G | 37.3 | Very low | 50.6 | Low | 49 Ų | 49 | 95.5 Ų | 95.5 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | trans | 109.4 | 59.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F653 R654 | G651-F653 PolarHBondContact O-N 2.6Å; G651-R654 PolarHBondContact O-N 3.08Å | ||
| 652 | M | 41.5 | Very low | 52.6 | Low | 129 Ų | 129 | 92.3 Ų | 92.3 | 64% | 0.635 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 2.9 | 176.9 | -142.8 | 160 | 72.5 | 0 | 0 | 114.5 | T637 | T637-M652 HydrophobicContact CG2-CE 3.5Š|
| 653 | F | 52.8 | Low | 54.8 | Low | 77 Ų | 77 | 88 Ų | 88 | 34% | 0.338 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.4 | 69.2 | 165.3 | -78.4 | -84.1 | 0 | 0 | 0 | 109.4 | W548 M603 I634 G651 T655 | W548-F653 VanDerWaalsContact NE1-CB 3.32Å; W548-F653 PolarHBondContact NE1-O 3.19Å; M603-F653 HydrophobicContact CE-CD1 4.23Å; M603-F653 HydrophobicContact CE-CE1 3.97Å; I634-F653 HydrophobicContact CG1-CE1 4.21Å; I634-F653 HydrophobicContact CG2-CZ 4.44Å; G651-F653 PolarHBondContact O-N 2.6Å; F653-T655 PolarHBondContact O-N 3.34Å; F653-T655 VanDerWaalsContact O-N 3.16Å |
| 654 | R | 63.3 | Low | 57.5 | Low | 124 Ų | 124 | 83.8 Ų | 83.8 | 47% | 0.468 | 42% | 0.415 | S | S | . | . | trans | -76.7 | 103.9 | 173.5 | -152.5 | 178.1 | -156.8 | -158.2 | 3.8 | 109.2 | G651 Q658 E662 | G651-R654 PolarHBondContact O-N 3.08Å; R654-Q658 HydrophobicContact CG-CB 4.16Å; R654-E662 IonicContact CZ-OE2 2.8Å; R654-E662 IonicContact NH1-OE2 2.72Å; R654-E662 PolarHBondContact NH1-OE2 3.36Å; R654-E662 IonicContact NH2-OE1 3.99Å; R654-E662 PolarHBondContact NH2-OE1 2.92Å; R654-E662 IonicContact NH2-OE2 3.31Å; R654-E662 PolarHBondContact NH2-OE2 3.01Å | ||
| 655 | T | 74.3 | Confident | 60.3 | Low | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | trans | -71.2 | 161.6 | -179.2 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | D544 C547 N602 F653 S657 Q658 L659 | D544-T655 VanDerWaalsContact CG-OG1 3.26Å; D544-T655 WeakPolarHBondContact OD1-CB 3.12Å; D544-T655 PolarHBondContact OD1-OG1 3.47Å; C547-T655 HydrophobicContact CB-CG2 4.2Å; N602-T655 WeakPolarHBondContact ND2-CB 2.8Å; N602-T655 WeakPolarHBondContact O-CA 3.18Å; F653-T655 PolarHBondContact O-N 3.34Å; F653-T655 VanDerWaalsContact O-N 3.16Å; T655-S657 VanDerWaalsContact C-N 3.29Å; T655-S657 PolarHBondContact O-N 3.47Å; T655-S657 PolarHBondContact OG1-OG 2.91Å; T655-Q658 PolarHBondContact O-N 3.31Å; T655-Q658 VanDerWaalsContact OG1-CG 3.29Å; T655-Q658 WeakPolarHBondContact OG1-CG 2.75Å; T655-Q658 PolarHBondContact OG1-N 2.63Å; T655-L659 PolarHBondContact O-N 2.83Å; T655-L659 VanDerWaalsContact O-N 3.12Å | ||
| 656 | V | 78.2 | Confident | 62.9 | Low | 37 Ų | 37 | 80.4 Ų | 80.4 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 177.8 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | F482 N602 D604 L659 Y660 | F482-V656 HydrophobicContact CE1-CB 4.33Å; F482-V656 HydrophobicContact CE1-CG1 4.11Å; N602-V656 PolarHBondContact O-N 2.54Å; N602-V656 PolarHBondContact OD1-N 3.36Å; D604-V656 HydrophobicContact CB-CG2 4.11Å; V656-L659 PolarHBondContact O-N 2.78Å; V656-Y660 VanDerWaalsContact O-CB 3.23Å; V656-Y660 WeakPolarHBondContact O-CB 3.28Å; V656-Y660 PolarHBondContact O-N 3.42Å |
| 657 | S | 82.5 | Confident | 65.7 | Low | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 113 | D544 N602 T655 Y660 K661 | D544-S657 VanDerWaalsContact CG-OG 3.24Å; D544-S657 PolarHBondContact OD1-OG 3.38Å; D544-S657 PolarHBondContact OD2-OG 3.29Å; N602-S657 PolarHBondContact ND2-OG 2.68Å; N602-S657 VanDerWaalsContact OD1-CB 3.3Å; N602-S657 WeakPolarHBondContact OD1-CB 3.3Å; N602-S657 PolarHBondContact OD1-N 3.03Å; N602-S657 PolarHBondContact OD1-OG 2.64Å; T655-S657 VanDerWaalsContact C-N 3.29Å; T655-S657 PolarHBondContact O-N 3.47Å; T655-S657 PolarHBondContact OG1-OG 2.91Å; S657-Y660 PolarHBondContact O-N 2.92Å; S657-K661 VanDerWaalsContact O-CB 3.28Å; S657-K661 WeakPolarHBondContact O-CB 3.45Å; S657-K661 PolarHBondContact O-N 2.88Å |
| 658 | Q | 80.7 | Confident | 68.5 | Low | 53 Ų | 53 | 64.1 Ų | 64.1 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 179.2 | -75.1 | 177.5 | 8.1 | 0 | 0 | 111.3 | D544 R654 T655 Y660 K661 E662 | D544-Q658 WeakPolarHBondContact OD2-CG 3.38Å; D544-Q658 PolarHBondContact OD2-NE2 2.63Å; R654-Q658 HydrophobicContact CG-CB 4.16Å; T655-Q658 PolarHBondContact O-N 3.31Å; T655-Q658 VanDerWaalsContact OG1-CG 3.29Å; T655-Q658 WeakPolarHBondContact OG1-CG 2.75Å; T655-Q658 PolarHBondContact OG1-N 2.63Å; Q658-Y660 VanDerWaalsContact C-N 3.29Å; Q658-Y660 PolarHBondContact O-N 2.83Å; Q658-K661 PolarHBondContact O-N 3.27Å; Q658-E662 PolarHBondContact O-N 3.41Å |
| 659 | L | 77.9 | Confident | 71.2 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.7 | -174.7 | 69.6 | 0 | 0 | 0 | 110.4 | T655 V656 E662 Q663 | T655-L659 PolarHBondContact O-N 2.83Å; T655-L659 VanDerWaalsContact O-N 3.12Å; V656-L659 PolarHBondContact O-N 2.78Å; L659-E662 PolarHBondContact O-N 3.22Å; L659-Q663 WeakPolarHBondContact O-CB 3.38Å; L659-Q663 VanDerWaalsContact O-CG 3.27Å; L659-Q663 WeakPolarHBondContact O-CG 3.44Å; L659-Q663 PolarHBondContact O-N 3.39Å |
| 660 | Y | 80.5 | Confident | 73.9 | Confident | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 179.4 | -178.3 | -122.8 | 0 | 0 | 0 | 112.7 | L276 C486 Y489 T490 V656 S657 Q658 E662 Q663 L664 | L276-Y660 HydrophobicContact CB-CD2 3.96Å; L276-Y660 HydrophobicContact CB-CE2 3.55Å; L276-Y660 HydrophobicContact CD1-CD2 3.79Å; L276-Y660 HydrophobicContact CD1-CE2 3.88Å; L276-Y660 HydrophobicContact CD1-CG 4.24Å; L276-Y660 HydrophobicContact CD2-CE2 3.85Å; L276-Y660 HydrophobicContact CG-CD2 4.33Å; L276-Y660 HydrophobicContact CG-CE2 3.96Å; C486-Y660 HydrophobicContact CB-CD1 3.97Å; C486-Y660 HydrophobicContact CB-CE1 3.47Å; C486-Y660 VanDerWaalsContact CB-CE1 3.47Å; C486-Y660 WeakPolarHBondContact O-CE1 3.26Å; C486-Y660 PolarHBondContact O-OH 3.38Å; Y489-Y660 AromaticContact CD1-CE1 3.96Å; Y489-Y660 HydrophobicContact CD1-CE1 3.96Å; Y489-Y660 HydrophobicContact CE1-CE1 4.42Å; T490-Y660 WeakPolarHBondContact CB-OH 3.39Å; T490-Y660 VanDerWaalsContact OG1-CZ 3.26Å; T490-Y660 PolarHBondContact OG1-OH 2.91Å; V656-Y660 VanDerWaalsContact O-CB 3.23Å; V656-Y660 WeakPolarHBondContact O-CB 3.28Å; V656-Y660 PolarHBondContact O-N 3.42Å; S657-Y660 PolarHBondContact O-N 2.92Å; Q658-Y660 VanDerWaalsContact C-N 3.29Å; Q658-Y660 PolarHBondContact O-N 2.83Å; Y660-E662 VanDerWaalsContact C-N 3.3Å; Y660-E662 PolarHBondContact O-N 3.5Å; Y660-Q663 PolarHBondContact O-N 3.4Å; Y660-L664 VanDerWaalsContact O-CB 3.28Å; Y660-L664 WeakPolarHBondContact O-CB 3.38Å; Y660-L664 PolarHBondContact O-N 2.7Å |
| 661 | K | 83.9 | Confident | 76.8 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 176.5 | -178.2 | 178.2 | 173.8 | -178.1 | 0 | 111 | E534 S657 Q658 S665 | E534-K661 PolarHBondContact O-NZ 2.94Å; S657-K661 VanDerWaalsContact O-CB 3.28Å; S657-K661 WeakPolarHBondContact O-CB 3.45Å; S657-K661 PolarHBondContact O-N 2.88Å; Q658-K661 PolarHBondContact O-N 3.27Å; K661-S665 VanDerWaalsContact O-CB 3.3Å; K661-S665 WeakPolarHBondContact O-CB 3.38Å; K661-S665 PolarHBondContact O-N 3.43Å; K661-S665 PolarHBondContact O-OG 2.92Å |
| 662 | E | 81.1 | Confident | 79.2 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -49.3 | 176.9 | -172.2 | -170.8 | -154.6 | 0 | 0 | 111.7 | R654 Q658 L659 Y660 L664 S665 R666 | R654-E662 IonicContact CZ-OE2 2.8Å; R654-E662 IonicContact NH1-OE2 2.72Å; R654-E662 PolarHBondContact NH1-OE2 3.36Å; R654-E662 IonicContact NH2-OE1 3.99Å; R654-E662 PolarHBondContact NH2-OE1 2.92Å; R654-E662 IonicContact NH2-OE2 3.31Å; R654-E662 PolarHBondContact NH2-OE2 3.01Å; Q658-E662 PolarHBondContact O-N 3.41Å; L659-E662 PolarHBondContact O-N 3.22Å; Y660-E662 VanDerWaalsContact C-N 3.3Å; Y660-E662 PolarHBondContact O-N 3.5Å; E662-L664 VanDerWaalsContact C-N 3.32Å; E662-L664 PolarHBondContact O-N 2.9Å; E662-S665 PolarHBondContact O-N 3.04Å; E662-S665 VanDerWaalsContact O-N 3.16Å; E662-R666 WeakPolarHBondContact O-CG 3.42Å; E662-R666 PolarHBondContact O-N 3.34Å; E662-R666 IonicContact OE1-CZ 3.62Å; E662-R666 IonicContact OE1-NE 3.61Å; E662-R666 IonicContact OE1-NH2 3.22Å; E662-R666 PolarHBondContact OE1-NH2 3.4Å; E662-R666 IonicContact OE2-NH2 3Å; E662-R666 PolarHBondContact OE2-NH2 2.78Å |
| 663 | Q | 81.3 | Confident | 81.4 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 178 | -74.6 | 177.2 | -15.5 | 0 | 0 | 111.5 | Y275 L659 Y660 S665 R666 L667 | Y275-Q663 HydrophobicContact CD1-CB 3.91Å; Y275-Q663 HydrophobicContact CE1-CB 4.04Å; Y275-Q663 WeakPolarHBondContact CE1-O 3.24Å; L659-Q663 WeakPolarHBondContact O-CB 3.38Å; L659-Q663 VanDerWaalsContact O-CG 3.27Å; L659-Q663 WeakPolarHBondContact O-CG 3.44Å; L659-Q663 PolarHBondContact O-N 3.39Å; Y660-Q663 PolarHBondContact O-N 3.4Å; Q663-S665 VanDerWaalsContact C-N 3.34Å; Q663-S665 PolarHBondContact O-N 2.9Å; Q663-R666 PolarHBondContact O-N 3.46Å; Q663-L667 PolarHBondContact O-N 3.29Å |
| 664 | L | 86.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.9 | -176.9 | 59.9 | 0 | 0 | 0 | 111.9 | Y489 T490 K493 Y660 E662 R666 L667 M668 | Y489-L664 HydrophobicContact CD1-CD2 3.78Å; Y489-L664 HydrophobicContact CE1-CD2 3.31Å; T490-L664 HydrophobicContact CG2-CD1 3.55Å; T490-L664 WeakPolarHBondContact OG1-CD1 3.26Å; T490-L664 VanDerWaalsContact OG1-CD2 3.23Å; T490-L664 WeakPolarHBondContact OG1-CD2 3.03Å; K493-L664 HydrophobicContact CD-CD2 3.71Å; K493-L664 HydrophobicContact CD-CG 4.14Å; Y660-L664 VanDerWaalsContact O-CB 3.28Å; Y660-L664 WeakPolarHBondContact O-CB 3.38Å; Y660-L664 PolarHBondContact O-N 2.7Å; E662-L664 VanDerWaalsContact C-N 3.32Å; E662-L664 PolarHBondContact O-N 2.9Å; L664-R666 VanDerWaalsContact C-N 3.34Å; L664-R666 PolarHBondContact O-N 2.9Å; L664-L667 HydrophobicContact CD1-CD2 4.44Å; L664-L667 PolarHBondContact O-N 3.37Å; L664-M668 HydrophobicContact CD1-CE 3.61Å; L664-M668 HydrophobicContact CD1-CG 4.4Å; L664-M668 HydrophobicContact CG-CG 4.47Å; L664-M668 WeakPolarHBondContact O-CB 2.84Å; L664-M668 VanDerWaalsContact O-CG 3.27Å; L664-M668 WeakPolarHBondContact O-CG 3.33Å; L664-M668 PolarHBondContact O-N 3.27Å |
| 665 | S | 86.5 | Confident | 84.3 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | K661 E662 Q663 M668 A669 | K661-S665 VanDerWaalsContact O-CB 3.3Å; K661-S665 WeakPolarHBondContact O-CB 3.38Å; K661-S665 PolarHBondContact O-N 3.43Å; K661-S665 PolarHBondContact O-OG 2.92Å; E662-S665 PolarHBondContact O-N 3.04Å; E662-S665 VanDerWaalsContact O-N 3.16Å; Q663-S665 VanDerWaalsContact C-N 3.34Å; Q663-S665 PolarHBondContact O-N 2.9Å; S665-M668 PolarHBondContact O-N 2.61Å; S665-A669 WeakPolarHBondContact O-CB 3.38Å; S665-A669 PolarHBondContact O-N 2.51Å |
| 666 | R | 84.7 | Confident | 85.1 | Confident | 148 Ų | 148 | 49.9 Ų | 49.9 | 56% | 0.558 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 173.4 | -68.2 | 178.5 | -169 | 178.7 | 2.5 | 111.5 | E662 Q663 L664 M668 A669 T670 | E662-R666 WeakPolarHBondContact O-CG 3.42Å; E662-R666 PolarHBondContact O-N 3.34Å; E662-R666 IonicContact OE1-CZ 3.62Å; E662-R666 IonicContact OE1-NE 3.61Å; E662-R666 IonicContact OE1-NH2 3.22Å; E662-R666 PolarHBondContact OE1-NH2 3.4Å; E662-R666 IonicContact OE2-NH2 3Å; E662-R666 PolarHBondContact OE2-NH2 2.78Å; Q663-R666 PolarHBondContact O-N 3.46Å; L664-R666 VanDerWaalsContact C-N 3.34Å; L664-R666 PolarHBondContact O-N 2.9Å; R666-M668 PolarHBondContact O-N 3.45Å; R666-A669 PolarHBondContact O-N 3.25Å; R666-T670 PolarHBondContact O-N 3.41Å; R666-T670 PolarHBondContact O-OG1 3.3Å |
| 667 | L | 86.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 175.6 | 178.2 | 62.6 | 0 | 0 | 0 | 111.6 | F256 Y275 L469 Q663 L664 A669 T670 L671 | F256-L667 HydrophobicContact CB-CD1 4.06Å; F256-L667 HydrophobicContact CD1-CD1 4.32Å; F256-L667 HydrophobicContact CD2-CD1 4.01Å; F256-L667 HydrophobicContact CG-CD1 3.88Å; Y275-L667 HydrophobicContact CD2-CD2 4.39Å; Y275-L667 HydrophobicContact CE1-CB 4.01Å; Y275-L667 HydrophobicContact CE2-CD1 4.07Å; Y275-L667 HydrophobicContact CE2-CD2 4.33Å; L469-L667 HydrophobicContact CD1-CD1 4.22Å; L469-L667 HydrophobicContact CD1-CD2 4Å; Q663-L667 PolarHBondContact O-N 3.29Å; L664-L667 HydrophobicContact CD1-CD2 4.44Å; L664-L667 PolarHBondContact O-N 3.37Å; L667-A669 VanDerWaalsContact C-N 3.33Å; L667-A669 PolarHBondContact O-N 2.85Å; L667-T670 PolarHBondContact O-N 2.58Å; L667-L671 HydrophobicContact CD1-CD1 4.24Å; L667-L671 HydrophobicContact CD1-CG 4.33Å; L667-L671 HydrophobicContact CG-CD1 4.05Å; L667-L671 WeakPolarHBondContact O-CG 3.37Å; L667-L671 PolarHBondContact O-N 3.46Å |
| 668 | M | 89.2 | Confident | 86.1 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 5% | 0.054 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 177.8 | -69.6 | -55 | 117 | 0 | 0 | 112.4 | K493 L494 L664 S665 R666 L671 R672 | K493-M668 HydrophobicContact CB-SD 4.38Å; K493-M668 HydrophobicContact CD-CG 4.39Å; L494-M668 HydrophobicContact CD2-CE 3.55Å; L494-M668 HydrophobicContact CD2-SD 4.33Å; L494-M668 HydrophobicContact CG-CE 4.05Å; L664-M668 HydrophobicContact CD1-CE 3.61Å; L664-M668 HydrophobicContact CD1-CG 4.4Å; L664-M668 HydrophobicContact CG-CG 4.47Å; L664-M668 WeakPolarHBondContact O-CB 2.84Å; L664-M668 VanDerWaalsContact O-CG 3.27Å; L664-M668 WeakPolarHBondContact O-CG 3.33Å; L664-M668 PolarHBondContact O-N 3.27Å; S665-M668 PolarHBondContact O-N 2.61Å; R666-M668 PolarHBondContact O-N 3.45Å; M668-L671 HydrophobicContact CE-CD1 3.89Å; M668-L671 PolarHBondContact O-N 2.93Å; M668-L671 HydrophobicContact SD-CD1 4.38Å; M668-R672 WeakPolarHBondContact O-CB 3.49Å; M668-R672 VanDerWaalsContact O-CG 3.27Å; M668-R672 WeakPolarHBondContact O-CG 3.33Å; M668-R672 PolarHBondContact O-N 2.88Å |
| 669 | A | 88.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S665 R666 L667 R672 N673 | S665-A669 WeakPolarHBondContact O-CB 3.38Å; S665-A669 PolarHBondContact O-N 2.51Å; R666-A669 PolarHBondContact O-N 3.25Å; L667-A669 VanDerWaalsContact C-N 3.33Å; L667-A669 PolarHBondContact O-N 2.85Å; A669-R672 PolarHBondContact O-N 2.61Å; A669-N673 PolarHBondContact O-N 3.33Å |
| 670 | T | 86.7 | Confident | 87.3 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 27% | 0.27 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | F256 F465 R666 L667 R672 N673 C674 | F256-T670 HydrophobicContact CE1-CG2 3.98Å; F256-T670 HydrophobicContact CZ-CG2 4.04Å; F465-T670 HydrophobicContact CZ-CG2 4.19Å; R666-T670 PolarHBondContact O-N 3.41Å; R666-T670 PolarHBondContact O-OG1 3.3Å; L667-T670 PolarHBondContact O-N 2.58Å; T670-R672 VanDerWaalsContact C-N 3.35Å; T670-R672 PolarHBondContact O-N 2.64Å; T670-N673 PolarHBondContact O-N 2.82Å; T670-C674 PolarHBondContact O-N 2.79Å; T670-C674 PolarHBondContact O-SG 3.41Å; T670-C674 VanDerWaalsContact O-SG 3.32Å |
| 671 | L | 89 | Confident | 87.8 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -34.4 | -179.5 | -68.1 | 170.3 | 0 | 0 | 0 | 113.4 | L178 F256 L469 L494 L497 L667 M668 N673 C674 | L178-L671 HydrophobicContact CD1-CD2 4.45Å; L178-L671 HydrophobicContact CD2-CD1 4.25Å; L178-L671 HydrophobicContact CD2-CD2 4.27Å; L178-L671 HydrophobicContact CG-CD2 4.4Å; F256-L671 HydrophobicContact CE2-CD2 3.88Å; L469-L671 HydrophobicContact CD2-CD1 3.95Å; L494-L671 HydrophobicContact CD2-CD1 3.99Å; L497-L671 HydrophobicContact CD2-CB 3.87Å; L497-L671 HydrophobicContact CD2-CD1 4.04Å; L667-L671 HydrophobicContact CD1-CD1 4.24Å; L667-L671 HydrophobicContact CD1-CG 4.33Å; L667-L671 HydrophobicContact CG-CD1 4.05Å; L667-L671 WeakPolarHBondContact O-CG 3.37Å; L667-L671 PolarHBondContact O-N 3.46Å; M668-L671 HydrophobicContact CE-CD1 3.89Å; M668-L671 PolarHBondContact O-N 2.93Å; M668-L671 HydrophobicContact SD-CD1 4.38Å; L671-N673 VanDerWaalsContact C-N 3.3Å; L671-C674 PolarHBondContact O-N 3.4Å; L671-C674 VanDerWaalsContact O-O 3.09Å |
| 672 | R | 88 | Confident | 88.2 | Confident | 174 Ų | 174 | 40.9 Ų | 40.9 | 66% | 0.657 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -69.5 | -26.3 | 176.4 | -75.4 | 173.7 | -177.7 | -177 | -0.5 | 113.4 | L497 M668 A669 T670 | L497-R672 HydrophobicContact CD1-CG 3.9Å; M668-R672 WeakPolarHBondContact O-CB 3.49Å; M668-R672 VanDerWaalsContact O-CG 3.27Å; M668-R672 WeakPolarHBondContact O-CG 3.33Å; M668-R672 PolarHBondContact O-N 2.88Å; A669-R672 PolarHBondContact O-N 2.61Å; T670-R672 VanDerWaalsContact C-N 3.35Å; T670-R672 PolarHBondContact O-N 2.64Å |
| 673 | N | 87.4 | Confident | 88.6 | Confident | 138 Ų | 138 | 38.2 Ų | 38.2 | 74% | 0.738 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -8.1 | 177.5 | -68.7 | -15.2 | 0 | 0 | 0 | 112.9 | A669 T670 L671 | A669-N673 PolarHBondContact O-N 3.33Å; T670-N673 PolarHBondContact O-N 2.82Å; L671-N673 VanDerWaalsContact C-N 3.3Å |
| 674 | C | 89.6 | Confident | 89.1 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.054 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -103.6 | 154.2 | 174.4 | -60 | 0 | 0 | 0 | 0 | 110.3 | D174 F465 T670 L671 P676 | D174-C674 WeakPolarHBondContact O-CA 3.25Å; F465-C674 WeakPolarHBondContact CZ-SG 3.2Å; T670-C674 PolarHBondContact O-N 2.79Å; T670-C674 PolarHBondContact O-SG 3.41Å; T670-C674 VanDerWaalsContact O-SG 3.32Å; L671-C674 PolarHBondContact O-N 3.4Å; L671-C674 VanDerWaalsContact O-O 3.09Å; C674-P676 VanDerWaalsContact O-CD 3.32Å; C674-P676 WeakPolarHBondContact O-CD 3.13Å |
| 675 | T | 88 | Confident | 89.2 | Confident | 56 Ų | 56 | 35.9 Ų | 35.9 | 34% | 0.344 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.2 | 168.7 | -66.3 | 0 | 0 | 0 | 0 | 110 | D174 S176 | D174-T675 PolarHBondContact O-N 3.42Å; S176-T675 PolarHBondContact N-O 2.76Å; S176-T675 PolarHBondContact OG-O 3.48Å |
| 676 | P | 90.6 | Very high | 89.1 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 20% | 0.195 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.5 | -173.2 | 34.9 | -34.5 | 0 | 0 | 0 | 113.6 | S176 L178 T501 C674 F678 | S176-P676 CarbonylContact O-C 2.98Å; S176-P676 WeakPolarHBondContact OG-CA 3.25Å; L178-P676 HydrophobicContact CD1-CB 3.7Å; T501-P676 HydrophobicContact CG2-CG 3.66Å; C674-P676 VanDerWaalsContact O-CD 3.32Å; C674-P676 WeakPolarHBondContact O-CD 3.13Å; P676-F678 HydrophobicContact CB-CE2 3.83Å; P676-F678 HydrophobicContact CB-CZ 3.88Å; P676-F678 HydrophobicContact CG-CE2 3.87Å; P676-F678 HydrophobicContact CG-CZ 4.14Å |
| 677 | H | 91.7 | Very high | 89.1 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.9 | 172.9 | -64.2 | -93.4 | 0 | 0 | 0 | 109.3 | I160 Q175 S176 I177 L178 | I160-H677 HydrophobicContact CG2-CB 4.01Å; Q175-H677 PolarHBondContact OE1-NE2 2.86Å; S176-H677 WeakPolarHBondContact O-CB 3.29Å; S176-H677 PolarHBondContact O-CD2 2.73Å; S176-H677 PolarHBondContact O-N 2.79Å; I177-H677 CarbonylContact C-O 3.56Å; I177-H677 WeakPolarHBondContact CA-O 3.43Å; I177-H677 HydrophobicContact CG1-CB 4.19Å; L178-H677 PolarHBondContact N-O 3.46Å |
| 678 | F | 90.8 | Very high | 88.7 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.9 | -172.6 | -64.3 | -84.3 | 0 | 0 | 0 | 113.4 | F124 C125 L178 F498 P676 | F124-F678 HydrophobicContact CB-CB 3.79Å; F124-F678 WeakPolarHBondContact CB-O 3.41Å; C125-F678 PolarHBondContact N-O 2.86Å; L178-F678 HydrophobicContact CB-CD1 4.03Å; L178-F678 HydrophobicContact CB-CE1 4.3Å; L178-F678 HydrophobicContact CD1-CE1 4.45Å; L178-F678 HydrophobicContact CD2-CE1 3.97Å; L178-F678 HydrophobicContact CG-CE1 4.49Å; F498-F678 HydrophobicContact CB-CD1 4.44Å; F498-F678 HydrophobicContact CB-CE1 3.85Å; F498-F678 HydrophobicContact CB-CZ 3.99Å; F498-F678 HydrophobicContact CD2-CB 4.38Å; F498-F678 AromaticContact CD2-CD1 3.83Å; F498-F678 HydrophobicContact CD2-CD1 3.83Å; F498-F678 AromaticContact CD2-CD2 3.79Å; F498-F678 HydrophobicContact CD2-CD2 3.79Å; F498-F678 AromaticContact CD2-CE1 3.96Å; F498-F678 HydrophobicContact CD2-CE1 3.96Å; F498-F678 AromaticContact CD2-CE2 3.92Å; F498-F678 HydrophobicContact CD2-CE2 3.92Å; F498-F678 AromaticContact CD2-CG 3.74Å; F498-F678 HydrophobicContact CD2-CG 3.74Å; F498-F678 HydrophobicContact CD2-CZ 4.01Å; F498-F678 HydrophobicContact CE2-CB 4.49Å; F498-F678 HydrophobicContact CE2-CD2 4.3Å; F498-F678 HydrophobicContact CE2-CG 4.27Å; F498-F678 HydrophobicContact CG-CE1 4.42Å; F498-F678 HydrophobicContact CG-CZ 4.49Å; P676-F678 HydrophobicContact CB-CE2 3.83Å; P676-F678 HydrophobicContact CB-CZ 3.88Å; P676-F678 HydrophobicContact CG-CE2 3.87Å; P676-F678 HydrophobicContact CG-CZ 4.14Å |
| 679 | V | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 103.5 | 171.1 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | C125 V127 I160 I177 L178 C179 T180 | C125-V679 CarbonylContact O-C 3.55Å; V127-V679 HydrophobicContact CG2-CG1 3.47Å; V127-V679 VanDerWaalsContact CG2-CG1 3.47Å; I160-V679 HydrophobicContact CD1-CG2 3.78Å; I160-V679 HydrophobicContact CG2-CG2 4.43Å; I177-V679 HydrophobicContact CG2-CG2 4.27Å; L178-V679 PolarHBondContact O-N 2.7Å; C179-V679 WeakPolarHBondContact CA-O 3.34Å; T180-V679 PolarHBondContact N-O 3.48Å |
| 680 | R | 91 | Very high | 88.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 107.6 | -178.2 | -64.9 | -53.3 | -167.9 | 151.7 | -5.3 | 110.7 | F124 C125 V126 V127 T180 F498 N705 | F124-R680 HydrophobicContact CD2-CG 3.99Å; F124-R680 HydrophobicContact CE2-CG 4.35Å; C125-R680 PolarHBondContact O-N 3.34Å; V126-R680 CarbonylContact C-O 3.58Å; V126-R680 WeakPolarHBondContact CA-O 3.48Å; V126-R680 HydrophobicContact CG2-CB 4.41Å; V127-R680 PolarHBondContact N-O 2.67Å; T180-R680 WeakPolarHBondContact OG1-CD 3.26Å; T180-R680 VanDerWaalsContact OG1-CZ 3.29Å; T180-R680 PolarHBondContact OG1-NE 2.49Å; T180-R680 PolarHBondContact OG1-NH1 3.26Å; F498-R680 VanDerWaalsContact CD2-NH2 3.29Å; R680-N705 PolarHBondContact NH1-OD1 3.49Å |
| 681 | C | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.8 | 178.7 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | V127 T180 G181 A185 K187 N190 | V127-C681 CarbonylContact O-C 3.59Å; V127-C681 WeakPolarHBondContact O-CA 3.4Å; T180-C681 VanDerWaalsContact O-CB 3.3Å; T180-C681 WeakPolarHBondContact O-CB 3.33Å; T180-C681 PolarHBondContact O-N 3.29Å; G181-C681 VanDerWaalsContact CA-O 3.31Å; G181-C681 WeakPolarHBondContact CA-O 3.2Å; A185-C681 HydrophobicContact CB-CB 3.66Å; A185-C681 WeakPolarHBondContact O-CB 3.38Å; K187-C681 HydrophobicContact CG-CB 4.22Å; N190-C681 PolarHBondContact ND2-SG 2.77Å; N190-C681 VanDerWaalsContact ND2-SG 3.4Å |
| 682 | I | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 134.4 | -176.7 | -57.4 | -64.7 | 0 | 0 | 0 | 109.5 | V126 V127 I128 N129 V698 Q701 L702 | V126-I682 HydrophobicContact CG1-CG1 3.83Å; V127-I682 PolarHBondContact O-N 2.67Å; I128-I682 HydrophobicContact CG1-CB 4.22Å; N129-I682 PolarHBondContact N-O 2.63Å; N129-I682 VanDerWaalsContact N-O 3.16Å; I682-V698 HydrophobicContact CG2-CG1 4.22Å; I682-V698 HydrophobicContact CG2-CG2 4.15Å; I682-Q701 HydrophobicContact CD1-CB 3.99Å; I682-Q701 HydrophobicContact CG2-CB 4.43Å; I682-L702 HydrophobicContact CD1-CD2 4.49Å |
| 683 | I | 90 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -81.3 | 128.5 | 172.5 | -165.5 | 166.2 | 0 | 0 | 0 | 109.5 | Y131 Y686 L697 Q701 | Y131-I683 VanDerWaalsContact OH-CD1 3.28Å; Y131-I683 WeakPolarHBondContact OH-CD1 3.48Å; Y131-I683 VanDerWaalsContact OH-CG1 3.27Å; Y131-I683 WeakPolarHBondContact OH-CG1 3.17Å; I683-Y686 HydrophobicContact CD1-CD1 4.05Å; I683-Y686 HydrophobicContact CD1-CE1 4.32Å; I683-Y686 HydrophobicContact CG2-CE1 4.3Å; I683-L697 HydrophobicContact CG2-CD1 4.35Å; I683-L697 HydrophobicContact CG2-CD2 4.03Å; I683-L697 HydrophobicContact CG2-CG 4.33Å; I683-Q701 PolarHBondContact O-NE2 3.23Å | ||
| 684 | P | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -79.7 | -30.1 | -179.4 | 32.4 | -39 | 0 | 0 | 0 | 113 | Y112 I128 N129 Y131 I693 D694 | Y112-P684 HydrophobicContact CE2-CB 4.34Å; I128-P684 HydrophobicContact CG2-CB 3.79Å; I128-P684 HydrophobicContact CG2-CG 4.36Å; N129-P684 VanDerWaalsContact O-CG 3.27Å; N129-P684 WeakPolarHBondContact O-CG 3.44Å; Y131-P684 HydrophobicContact CD2-CG 3.94Å; Y131-P684 HydrophobicContact CE2-CG 3.58Å; P684-I693 HydrophobicContact CB-CG1 4.36Å; P684-I693 CarbonylContact O-C 3.52Å; P684-I693 WeakPolarHBondContact O-CA 3.08Å; P684-D694 PolarHBondContact O-N 2.6Å |
| 685 | N | 89.2 | Confident | 88.9 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | trans | -165.3 | 151.3 | -179.5 | 63.2 | 89.9 | 0 | 0 | 0 | 110.4 | E687 K688 K689 K692 D694 | N685-E687 VanDerWaalsContact C-N 3.33Å; N685-E687 WeakPolarHBondContact OD1-CA 3.17Å; N685-E687 WeakPolarHBondContact OD1-CB 3.36Å; N685-E687 PolarHBondContact OD1-N 2.76Å; N685-K688 PolarHBondContact OD1-N 2.68Å; N685-K689 PolarHBondContact ND2-O 2.84Å; N685-K689 PolarHBondContact OD1-N 3.4Å; N685-K692 PolarHBondContact ND2-O 2.7Å; N685-D694 HydrophobicContact CB-CB 4.39Å | ||
| 686 | Y | 83.3 | Confident | 89 | Confident | 98 Ų | 98 | 37.7 Ų | 37.7 | 38% | 0.384 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -15.9 | 174.4 | -67.4 | -52 | 0 | 0 | 0 | 113.9 | E182 K246 I683 K688 L697 | E182-Y686 PolarHBondContact OE2-OH 2.66Å; K246-Y686 HydrophobicContact CD-CE1 4.21Å; I683-Y686 HydrophobicContact CD1-CD1 4.05Å; I683-Y686 HydrophobicContact CD1-CE1 4.32Å; I683-Y686 HydrophobicContact CG2-CE1 4.3Å; Y686-K688 PolarHBondContact O-N 3.09Å; Y686-L697 HydrophobicContact CD1-CD2 4.41Å; Y686-L697 HydrophobicContact CD2-CD1 4.43Å; Y686-L697 HydrophobicContact CD2-CD2 3.88Å; Y686-L697 HydrophobicContact CE1-CD1 4.25Å; Y686-L697 HydrophobicContact CE1-CD2 4.33Å; Y686-L697 HydrophobicContact CE2-CD1 3.54Å; Y686-L697 HydrophobicContact CE2-CD2 3.83Å; Y686-L697 HydrophobicContact CE2-CG 4.27Å; Y686-L697 HydrophobicContact CG-CD2 4.18Å; Y686-L697 VanDerWaalsContact CZ-CD1 3.42Å; Y686-L697 VanDerWaalsContact OH-CD1 3.26Å; Y686-L697 WeakPolarHBondContact OH-CD1 3.11Å |
| 687 | E | 84.3 | Confident | 88.9 | Confident | 98 Ų | 98 | 36.5 Ų | 36.5 | 46% | 0.458 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -4.6 | 177.6 | -68.6 | 179.9 | -157 | 0 | 0 | 114 | N685 K689 K692 | N685-E687 VanDerWaalsContact C-N 3.33Å; N685-E687 WeakPolarHBondContact OD1-CA 3.17Å; N685-E687 WeakPolarHBondContact OD1-CB 3.36Å; N685-E687 PolarHBondContact OD1-N 2.76Å; E687-K689 HydrophobicContact CB-CD 4.36Å; E687-K689 HydrophobicContact CB-CG 4.17Å; E687-K689 PolarHBondContact O-N 2.68Å; E687-K689 WeakPolarHBondContact OE2-CD 3.13Å; E687-K689 WeakPolarHBondContact OE2-CE 3.48Å; E687-K689 IonicContact OE2-NZ 3.55Å; E687-K689 PolarHBondContact OE2-NZ 3.26Å; E687-K692 IonicContact OE1-NZ 3.5Å; E687-K692 PolarHBondContact OE1-NZ 2.86Å; E687-K692 IonicContact OE2-NZ 3.51Å; E687-K692 PolarHBondContact OE2-NZ 3.07Å |
| 688 | K | 79.9 | Confident | 88.8 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | trans | 56.5 | 27.7 | -177 | -54.9 | 170.8 | -179.6 | 168.7 | 0 | 113.4 | Y131 V245 K246 D248 N685 Y686 | Y131-K688 HydrophobicContact CE1-CB 4.46Å; V245-K688 PolarHBondContact O-NZ 3.4Å; K246-K688 VanDerWaalsContact C-CE 3.48Å; K246-K688 WeakPolarHBondContact O-CE 3.1Å; D248-K688 VanDerWaalsContact CG-NZ 3.33Å; D248-K688 IonicContact OD1-NZ 3.6Å; D248-K688 PolarHBondContact OD1-NZ 2.84Å; D248-K688 WeakPolarHBondContact OD2-CD 3.46Å; D248-K688 IonicContact OD2-NZ 2.75Å; D248-K688 PolarHBondContact OD2-NZ 2.87Å; N685-K688 PolarHBondContact OD1-N 2.68Å; Y686-K688 PolarHBondContact O-N 3.09Å | ||
| 689 | K | 84.6 | Confident | 88.7 | Confident | 118 Ų | 118 | 35.3 Ų | 35.3 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | trans | -93 | 130.4 | -179.5 | -72.9 | -177.1 | -172.3 | 152 | 0 | 111.9 | N685 E687 K692 | N685-K689 PolarHBondContact ND2-O 2.84Å; N685-K689 PolarHBondContact OD1-N 3.4Å; E687-K689 HydrophobicContact CB-CD 4.36Å; E687-K689 HydrophobicContact CB-CG 4.17Å; E687-K689 PolarHBondContact O-N 2.68Å; E687-K689 WeakPolarHBondContact OE2-CD 3.13Å; E687-K689 WeakPolarHBondContact OE2-CE 3.48Å; E687-K689 IonicContact OE2-NZ 3.55Å; E687-K689 PolarHBondContact OE2-NZ 3.26Å; K689-K692 HydrophobicContact CB-CB 4.36Å | ||
| 690 | T | 87.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 40 Ų | 40 | 54% | 0.54 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 140.3 | 169.4 | 168.3 | 0 | 0 | 0 | 0 | 111 | K692 | T690-K692 PolarHBondContact O-N 3.29Š|
| 691 | G | 85.9 | Confident | 88 | Confident | 43 Ų | 43 | 40 Ų | 40 | 44% | 0.443 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 4.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y112 Y113 | Y112-G691 PolarHBondContact OH-N 3.5Å; Y113-G691 VanDerWaalsContact CE1-O 3.3Å; Y113-G691 WeakPolarHBondContact CE1-O 3.3Å |
| 692 | K | 90.6 | Very high | 87.7 | Confident | 87 Ų | 87 | 40.1 Ų | 40.1 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | trans | -104.2 | 137.3 | 169 | -175.4 | 172.3 | 174.4 | 177 | 0 | 109.2 | Y112 N685 E687 K689 T690 | Y112-K692 PolarHBondContact OH-O 3.17Å; N685-K692 PolarHBondContact ND2-O 2.7Å; E687-K692 IonicContact OE1-NZ 3.5Å; E687-K692 PolarHBondContact OE1-NZ 2.86Å; E687-K692 IonicContact OE2-NZ 3.51Å; E687-K692 PolarHBondContact OE2-NZ 3.07Å; K689-K692 HydrophobicContact CB-CB 4.36Å; T690-K692 PolarHBondContact O-N 3.29Å | ||
| 693 | I | 91.2 | Very high | 87.2 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | trans | -129.9 | 128.9 | 173.1 | -165 | 172 | 0 | 0 | 0 | 108.4 | K109 Y112 Y113 I128 P684 V698 | K109-I693 HydrophobicContact CB-CD1 4.49Å; K109-I693 HydrophobicContact CD-CG2 4.26Å; K109-I693 HydrophobicContact CG-CG2 4.03Å; Y112-I693 HydrophobicContact CD1-CB 4.21Å; Y112-I693 HydrophobicContact CD1-CD1 4.37Å; Y112-I693 HydrophobicContact CE1-CB 4.18Å; Y113-I693 HydrophobicContact CE2-CG2 4.05Å; Y113-I693 WeakPolarHBondContact OH-CG2 3.04Å; I128-I693 HydrophobicContact CD1-CD1 4.34Å; P684-I693 HydrophobicContact CB-CG1 4.36Å; P684-I693 CarbonylContact O-C 3.52Å; P684-I693 WeakPolarHBondContact O-CA 3.08Å; I693-V698 HydrophobicContact CD1-CG2 4.11Å; I693-V698 HydrophobicContact CG1-CG2 3.78Å | ||
| 694 | D | 91.9 | Very high | 86.5 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | trans | -96.7 | 105.7 | 177.7 | -173.8 | 10.2 | 0 | 0 | 0 | 108.6 | P684 N685 P696 L697 V698 | P684-D694 PolarHBondContact O-N 2.6Å; N685-D694 HydrophobicContact CB-CB 4.39Å; D694-P696 WeakPolarHBondContact OD1-CD 3.31Å; D694-L697 HydrophobicContact CB-CB 4Å; D694-L697 HydrophobicContact CB-CD2 4.35Å; D694-L697 PolarHBondContact O-N 2.69Å; D694-V698 WeakPolarHBondContact O-CG2 3.18Å; D694-V698 PolarHBondContact O-N 3.49Å | ||
| 695 | S | 91.2 | Very high | 85.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -48.8 | -170.2 | -77.6 | 0 | 0 | 0 | 0 | 113.1 | H46 L697 V698 L699 | H46-S695 WeakPolarHBondContact O-CB 3.14Å; H46-S695 PolarHBondContact O-OG 2.7Å; S695-L697 VanDerWaalsContact C-N 3.34Å; S695-L697 PolarHBondContact O-N 2.72Å; S695-V698 PolarHBondContact O-N 3.33Å; S695-L699 WeakPolarHBondContact O-CB 3.04Å; S695-L699 WeakPolarHBondContact O-CG 2.86Å; S695-L699 PolarHBondContact O-N 2.59Å |
| 696 | P | 89.2 | Confident | 85.2 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.2 | -44.7 | 175 | -28.1 | 34.9 | 0 | 0 | 0 | 113.8 | D694 V698 L699 E700 | D694-P696 WeakPolarHBondContact OD1-CD 3.31Å; P696-V698 PolarHBondContact O-N 2.62Å; P696-L699 WeakPolarHBondContact O-CB 3.45Å; P696-L699 PolarHBondContact O-N 3.2Å; P696-E700 PolarHBondContact O-N 2.96Å |
| 697 | L | 88.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 178.4 | 171.2 | 59.7 | 0 | 0 | 0 | 112.5 | I683 Y686 D694 S695 Q701 | I683-L697 HydrophobicContact CG2-CD1 4.35Å; I683-L697 HydrophobicContact CG2-CD2 4.03Å; I683-L697 HydrophobicContact CG2-CG 4.33Å; Y686-L697 HydrophobicContact CD1-CD2 4.41Å; Y686-L697 HydrophobicContact CD2-CD1 4.43Å; Y686-L697 HydrophobicContact CD2-CD2 3.88Å; Y686-L697 HydrophobicContact CE1-CD1 4.25Å; Y686-L697 HydrophobicContact CE1-CD2 4.33Å; Y686-L697 HydrophobicContact CE2-CD1 3.54Å; Y686-L697 HydrophobicContact CE2-CD2 3.83Å; Y686-L697 HydrophobicContact CE2-CG 4.27Å; Y686-L697 HydrophobicContact CG-CD2 4.18Å; Y686-L697 VanDerWaalsContact CZ-CD1 3.42Å; Y686-L697 VanDerWaalsContact OH-CD1 3.26Å; Y686-L697 WeakPolarHBondContact OH-CD1 3.11Å; D694-L697 HydrophobicContact CB-CB 4Å; D694-L697 HydrophobicContact CB-CD2 4.35Å; D694-L697 PolarHBondContact O-N 2.69Å; S695-L697 VanDerWaalsContact C-N 3.34Å; S695-L697 PolarHBondContact O-N 2.72Å; L697-Q701 WeakPolarHBondContact O-CG 3.18Å; L697-Q701 PolarHBondContact O-N 3.13Å; L697-Q701 VanDerWaalsContact O-N 3.1Å; L697-Q701 PolarHBondContact O-NE2 2.89Å |
| 698 | V | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L105 I682 I693 D694 S695 P696 Q701 L702 | L105-V698 HydrophobicContact CD1-CB 4.15Å; L105-V698 HydrophobicContact CD1-CG1 3.8Å; I682-V698 HydrophobicContact CG2-CG1 4.22Å; I682-V698 HydrophobicContact CG2-CG2 4.15Å; I693-V698 HydrophobicContact CD1-CG2 4.11Å; I693-V698 HydrophobicContact CG1-CG2 3.78Å; D694-V698 WeakPolarHBondContact O-CG2 3.18Å; D694-V698 PolarHBondContact O-N 3.49Å; S695-V698 PolarHBondContact O-N 3.33Å; P696-V698 PolarHBondContact O-N 2.62Å; V698-Q701 PolarHBondContact O-N 2.88Å; V698-L702 HydrophobicContact CG1-CD1 3.86Å; V698-L702 HydrophobicContact CG1-CG 4.24Å; V698-L702 WeakPolarHBondContact O-CB 3.41Å; V698-L702 WeakPolarHBondContact O-CG 3.12Å; V698-L702 PolarHBondContact O-N 3.43Å |
| 699 | L | 88.2 | Confident | 84.9 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.9 | -79.9 | 168 | 0 | 0 | 0 | 112.2 | F48 E101 L105 S695 P696 Q701 L702 R703 | F48-L699 HydrophobicContact CD2-CD1 3.89Å; F48-L699 HydrophobicContact CD2-CD2 4.26Å; F48-L699 HydrophobicContact CE2-CD1 3.76Å; F48-L699 HydrophobicContact CE2-CD2 3.88Å; E101-L699 HydrophobicContact CB-CD2 4.13Å; L105-L699 HydrophobicContact CB-CD2 4.11Å; L105-L699 HydrophobicContact CD1-CG 4.28Å; L105-L699 HydrophobicContact CD2-CD1 3.85Å; L105-L699 HydrophobicContact CD2-CD2 4.01Å; L105-L699 HydrophobicContact CD2-CG 3.81Å; L105-L699 HydrophobicContact CG-CD2 4.45Å; L105-L699 HydrophobicContact CG-CG 4.45Å; S695-L699 WeakPolarHBondContact O-CB 3.04Å; S695-L699 WeakPolarHBondContact O-CG 2.86Å; S695-L699 PolarHBondContact O-N 2.59Å; P696-L699 WeakPolarHBondContact O-CB 3.45Å; P696-L699 PolarHBondContact O-N 3.2Å; L699-Q701 PolarHBondContact O-N 3.37Å; L699-L702 PolarHBondContact O-N 2.72Å; L699-R703 WeakPolarHBondContact O-CG 3.45Å; L699-R703 PolarHBondContact O-N 3.45Å |
| 700 | E | 82.1 | Confident | 84.6 | Confident | 99 Ų | 99 | 32.4 Ų | 32.4 | 46% | 0.463 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 177.1 | -175.4 | 171.3 | -161.8 | 0 | 0 | 111 | P696 L702 R703 C704 | P696-E700 PolarHBondContact O-N 2.96Å; E700-L702 VanDerWaalsContact C-N 3.34Å; E700-L702 PolarHBondContact O-N 2.77Å; E700-R703 WeakPolarHBondContact O-CB 3.14Å; E700-R703 PolarHBondContact O-N 2.96Å; E700-C704 PolarHBondContact O-N 3.02Å; E700-C704 PolarHBondContact O-SG 3.31Å |
| 701 | Q | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 175.7 | -77 | 175.3 | 86.2 | 0 | 0 | 113.3 | E182 I682 I683 L697 V698 L699 R703 N705 | E182-Q701 HydrophobicContact CG-CG 4.4Å; E182-Q701 WeakPolarHBondContact OE1-CG 3.42Å; I682-Q701 HydrophobicContact CD1-CB 3.99Å; I682-Q701 HydrophobicContact CG2-CB 4.43Å; I683-Q701 PolarHBondContact O-NE2 3.23Å; L697-Q701 WeakPolarHBondContact O-CG 3.18Å; L697-Q701 PolarHBondContact O-N 3.13Å; L697-Q701 VanDerWaalsContact O-N 3.1Å; L697-Q701 PolarHBondContact O-NE2 2.89Å; V698-Q701 PolarHBondContact O-N 2.88Å; L699-Q701 PolarHBondContact O-N 3.37Å; Q701-R703 VanDerWaalsContact C-N 3.32Å; Q701-N705 VanDerWaalsContact O-CB 3.28Å; Q701-N705 WeakPolarHBondContact O-CB 3.07Å; Q701-N705 PolarHBondContact O-N 3.34Å; Q701-N705 PolarHBondContact O-ND2 3.26Å |
| 702 | L | 86.6 | Confident | 84 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -37.2 | 179.3 | -71.8 | 170 | 0 | 0 | 0 | 111.9 | V104 L108 I682 V698 L699 E700 G706 V707 | V104-L702 HydrophobicContact CG1-CD1 4.06Å; L108-L702 HydrophobicContact CD1-CD1 3.84Å; L108-L702 HydrophobicContact CD1-CD2 3.8Å; L108-L702 HydrophobicContact CD1-CG 4.42Å; I682-L702 HydrophobicContact CD1-CD2 4.49Å; V698-L702 HydrophobicContact CG1-CD1 3.86Å; V698-L702 HydrophobicContact CG1-CG 4.24Å; V698-L702 WeakPolarHBondContact O-CB 3.41Å; V698-L702 WeakPolarHBondContact O-CG 3.12Å; V698-L702 PolarHBondContact O-N 3.43Å; L699-L702 PolarHBondContact O-N 2.72Å; E700-L702 VanDerWaalsContact C-N 3.34Å; E700-L702 PolarHBondContact O-N 2.77Å; L702-G706 PolarHBondContact O-N 3.17Å; L702-V707 HydrophobicContact CD2-CB 4.05Å; L702-V707 HydrophobicContact CD2-CG1 4.08Å; L702-V707 HydrophobicContact CD2-CG2 3.92Å; L702-V707 PolarHBondContact O-N 3.02Å; L702-V707 VanDerWaalsContact O-N 3.16Å |
| 703 | R | 79.9 | Confident | 83.3 | Confident | 129 Ų | 129 | 27.5 Ų | 27.5 | 49% | 0.487 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -66 | -53 | 174.2 | -71.1 | 171.9 | 176.9 | 172.6 | 0.9 | 111.1 | E101 L699 E700 Q701 N705 G706 | E101-R703 WeakPolarHBondContact OE1-CG 3.06Å; E101-R703 IonicContact OE1-CZ 3.57Å; E101-R703 IonicContact OE1-NE 3.59Å; E101-R703 PolarHBondContact OE1-NE 3.48Å; E101-R703 IonicContact OE1-NH2 3.35Å; E101-R703 IonicContact OE2-CZ 3.82Å; E101-R703 IonicContact OE2-NE 2.79Å; E101-R703 PolarHBondContact OE2-NE 2.65Å; E101-R703 IonicContact OE2-NH2 2.67Å; E101-R703 PolarHBondContact OE2-NH2 2.62Å; L699-R703 WeakPolarHBondContact O-CG 3.45Å; L699-R703 PolarHBondContact O-N 3.45Å; E700-R703 WeakPolarHBondContact O-CB 3.14Å; E700-R703 PolarHBondContact O-N 2.96Å; Q701-R703 VanDerWaalsContact C-N 3.32Å; R703-N705 VanDerWaalsContact C-N 3.32Å; R703-N705 PolarHBondContact O-N 3.45Å; R703-G706 PolarHBondContact O-N 2.74Å |
| 704 | C | 74.9 | Confident | 82.4 | Confident | 28 Ų | 28 | 27.1 Ų | 27.1 | 19% | 0.189 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | -178.3 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | Y587 E700 G706 | Y587-C704 HydrophobicContact CD2-CB 3.92Å; Y587-C704 WeakPolarHBondContact CD2-O 3.17Å; Y587-C704 HydrophobicContact CE2-CB 4.2Å; Y587-C704 WeakPolarHBondContact O-CB 3.3Å; Y587-C704 PolarHBondContact O-SG 3.4Å; E700-C704 PolarHBondContact O-N 3.02Å; E700-C704 PolarHBondContact O-SG 3.31Å; C704-G706 PolarHBondContact O-N 3.47Å |
| 705 | N | 78 | Confident | 81.5 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.9 | 177.3 | -77.3 | -70.2 | 0 | 0 | 0 | 114 | Q495 R680 Q701 R703 V707 | Q495-N705 PolarHBondContact NE2-O 2.89Å; R680-N705 PolarHBondContact NH1-OD1 3.49Å; Q701-N705 VanDerWaalsContact O-CB 3.28Å; Q701-N705 WeakPolarHBondContact O-CB 3.07Å; Q701-N705 PolarHBondContact O-N 3.34Å; Q701-N705 PolarHBondContact O-ND2 3.26Å; R703-N705 VanDerWaalsContact C-N 3.32Å; R703-N705 PolarHBondContact O-N 3.45Å; N705-V707 HydrophobicContact CB-CG2 3.9Å |
| 706 | G | 75.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 32.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L702 R703 C704 E709 G710 | L702-G706 PolarHBondContact O-N 3.17Å; R703-G706 PolarHBondContact O-N 2.74Å; C704-G706 PolarHBondContact O-N 3.47Å; G706-E709 WeakPolarHBondContact CA-OE2 3.41Å; G706-G710 PolarHBondContact O-N 3.18Å |
| 707 | V | 82.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.7 | -40 | -173.9 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | M93 F124 V126 L702 N705 G710 I711 | M93-V707 HydrophobicContact CE-CG1 4.41Å; F124-V707 HydrophobicContact CE2-CB 4.49Å; F124-V707 HydrophobicContact CE2-CG1 4.05Å; F124-V707 HydrophobicContact CE2-CG2 4.26Å; F124-V707 HydrophobicContact CZ-CG1 4.17Å; V126-V707 HydrophobicContact CG2-CG1 4.08Å; V126-V707 HydrophobicContact CG2-CG2 4.39Å; L702-V707 HydrophobicContact CD2-CB 4.05Å; L702-V707 HydrophobicContact CD2-CG1 4.08Å; L702-V707 HydrophobicContact CD2-CG2 3.92Å; L702-V707 PolarHBondContact O-N 3.02Å; L702-V707 VanDerWaalsContact O-N 3.16Å; N705-V707 HydrophobicContact CB-CG2 3.9Å; V707-G710 PolarHBondContact O-N 2.99Å; V707-I711 HydrophobicContact CG1-CD1 3.88Å; V707-I711 WeakPolarHBondContact O-CD1 3.44Å; V707-I711 VanDerWaalsContact O-CG1 3.23Å; V707-I711 WeakPolarHBondContact O-CG1 3.4Å; V707-I711 PolarHBondContact O-N 3.27Å |
| 708 | L | 81.4 | Confident | 79.7 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 6% | 0.058 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.8 | -45.2 | -178.7 | -81.4 | 148.6 | 0 | 0 | 0 | 111.9 | L99 E101 V104 G710 I711 R712 | L99-L708 HydrophobicContact CG-CD2 4.38Å; E101-L708 HydrophobicContact CB-CD1 4.23Å; E101-L708 HydrophobicContact CG-CD1 3.63Å; V104-L708 HydrophobicContact CG2-CD2 3.81Å; L708-G710 VanDerWaalsContact C-N 3.32Å; L708-I711 PolarHBondContact O-N 2.79Å; L708-R712 WeakPolarHBondContact O-CB 3.32Å; L708-R712 PolarHBondContact O-N 2.73Å |
| 709 | E | 78 | Confident | 78.8 | Confident | 37 Ų | 37 | 28.3 Ų | 28.3 | 17% | 0.173 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.6 | -64.6 | 69.8 | -144.6 | 0 | 0 | 109.7 | F503 F522 L524 G706 I711 R712 I713 | F503-E709 HydrophobicContact CE1-CB 4.02Å; F503-E709 WeakPolarHBondContact CE1-O 3.19Å; F503-E709 HydrophobicContact CZ-CB 3.66Å; F522-E709 HydrophobicContact CB-CG 4.42Å; F522-E709 HydrophobicContact CD1-CB 3.98Å; F522-E709 HydrophobicContact CD1-CG 4.11Å; F522-E709 HydrophobicContact CG-CB 4.47Å; L524-E709 HydrophobicContact CD1-CB 3.68Å; L524-E709 HydrophobicContact CD1-CG 3.58Å; L524-E709 HydrophobicContact CG-CG 4.36Å; G706-E709 WeakPolarHBondContact CA-OE2 3.41Å; E709-I711 VanDerWaalsContact C-N 3.34Å; E709-I711 PolarHBondContact O-N 3.27Å; E709-R712 WeakPolarHBondContact O-CA 3.41Å; E709-R712 WeakPolarHBondContact O-CB 3.14Å; E709-R712 PolarHBondContact O-N 2.68Å; E709-R712 VanDerWaalsContact O-N 3.07Å; E709-I713 PolarHBondContact O-N 3.3Å |
| 710 | G | 78 | Confident | 78.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G706 V707 L708 I713 C714 | G706-G710 PolarHBondContact O-N 3.18Å; V707-G710 PolarHBondContact O-N 2.99Å; L708-G710 VanDerWaalsContact C-N 3.32Å; G710-I713 WeakPolarHBondContact O-CG2 3.14Å; G710-C714 PolarHBondContact O-N 3.36Å; G710-C714 PolarHBondContact O-SG 3.49Å |
| 711 | I | 82.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.2 | -37 | 174.4 | -61.1 | 158.9 | 0 | 0 | 0 | 110.6 | M93 L99 V104 F124 V707 L708 E709 I713 C714 R715 | M93-I711 HydrophobicContact CB-CD1 3.87Å; M93-I711 HydrophobicContact CE-CD1 4.08Å; L99-I711 HydrophobicContact CD1-CB 4.08Å; L99-I711 HydrophobicContact CD1-CD1 4.19Å; L99-I711 HydrophobicContact CD1-CG2 3.54Å; L99-I711 HydrophobicContact CD2-CB 3.95Å; L99-I711 HydrophobicContact CD2-CG2 3.68Å; L99-I711 HydrophobicContact CG-CG2 4.27Å; V104-I711 HydrophobicContact CG2-CD1 4.36Å; F124-I711 HydrophobicContact CZ-CG1 4.47Å; V707-I711 HydrophobicContact CG1-CD1 3.88Å; V707-I711 WeakPolarHBondContact O-CD1 3.44Å; V707-I711 VanDerWaalsContact O-CG1 3.23Å; V707-I711 WeakPolarHBondContact O-CG1 3.4Å; V707-I711 PolarHBondContact O-N 3.27Å; L708-I711 PolarHBondContact O-N 2.79Å; E709-I711 VanDerWaalsContact C-N 3.34Å; E709-I711 PolarHBondContact O-N 3.27Å; I711-I713 PolarHBondContact O-N 3.5Å; I711-C714 PolarHBondContact O-N 3.33Å; I711-R715 WeakPolarHBondContact O-CB 3.43Å; I711-R715 PolarHBondContact O-N 2.75Å |
| 712 | R | 79 | Confident | 78.2 | Confident | 111 Ų | 111 | 31.6 Ų | 31.6 | 42% | 0.419 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | -179.9 | -165.2 | 179.6 | -55.5 | 174.5 | 1.8 | 111 | L99 F522 L708 E709 R715 Q716 | L99-R712 HydrophobicContact CD2-CB 4.17Å; F522-R712 HydrophobicContact CE1-CB 4.18Å; F522-R712 HydrophobicContact CE1-CG 4.21Å; L708-R712 WeakPolarHBondContact O-CB 3.32Å; L708-R712 PolarHBondContact O-N 2.73Å; E709-R712 WeakPolarHBondContact O-CA 3.41Å; E709-R712 WeakPolarHBondContact O-CB 3.14Å; E709-R712 PolarHBondContact O-N 2.68Å; E709-R712 VanDerWaalsContact O-N 3.07Å; R712-R715 PolarHBondContact O-N 2.92Å; R712-Q716 HydrophobicContact CG-CG 4.29Å; R712-Q716 VanDerWaalsContact O-CB 3.31Å; R712-Q716 WeakPolarHBondContact O-CB 3.46Å; R712-Q716 WeakPolarHBondContact O-CG 3.2Å; R712-Q716 PolarHBondContact O-N 3Å |
| 713 | I | 75.3 | Confident | 78.4 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.4 | -37 | 176.9 | -160.7 | 163 | 0 | 0 | 0 | 112.5 | M502 F503 E506 Q507 F522 E709 G710 I711 R715 Q716 G717 | M502-I713 HydrophobicContact CE-CG2 4.36Å; M502-I713 WeakPolarHBondContact O-CD1 2.96Å; F503-I713 HydrophobicContact CB-CD1 4.42Å; F503-I713 HydrophobicContact CD1-CB 4.07Å; F503-I713 HydrophobicContact CD1-CD1 3.91Å; F503-I713 HydrophobicContact CD1-CG2 3.77Å; F503-I713 HydrophobicContact CE1-CB 4.23Å; F503-I713 HydrophobicContact CE1-CG2 3.73Å; E506-I713 HydrophobicContact CB-CD1 4.47Å; Q507-I713 HydrophobicContact CG-CD1 4.07Å; F522-I713 HydrophobicContact CE2-CB 4.28Å; F522-I713 HydrophobicContact CE2-CD1 3.91Å; F522-I713 HydrophobicContact CE2-CG1 4.34Å; F522-I713 HydrophobicContact CZ-CB 3.94Å; F522-I713 HydrophobicContact CZ-CD1 4.36Å; F522-I713 HydrophobicContact CZ-CG1 4.29Å; E709-I713 PolarHBondContact O-N 3.3Å; G710-I713 WeakPolarHBondContact O-CG2 3.14Å; I711-I713 PolarHBondContact O-N 3.5Å; I713-R715 PolarHBondContact O-N 3.33Å; I713-Q716 PolarHBondContact O-N 2.9Å; I713-G717 WeakPolarHBondContact O-CA 3.47Å; I713-G717 PolarHBondContact O-N 3.17Å |
| 714 | C | 72.8 | Confident | 79 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -32.2 | 175.1 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | G710 I711 | G710-C714 PolarHBondContact O-N 3.36Å; G710-C714 PolarHBondContact O-SG 3.49Å; I711-C714 PolarHBondContact O-N 3.33Å |
| 715 | R | 72.7 | Confident | 79.6 | Confident | 68 Ų | 68 | 32.9 Ų | 32.9 | 26% | 0.257 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -82.7 | -40.2 | 179.1 | -177.7 | 177.5 | 171.1 | 162.6 | 4.3 | 112.8 | L96 T97 I711 R712 I713 R774 | L96-R715 PolarHBondContact O-NH1 2.96Å; T97-R715 PolarHBondContact O-NH1 3.21Å; T97-R715 PolarHBondContact O-NH2 3.35Å; I711-R715 WeakPolarHBondContact O-CB 3.43Å; I711-R715 PolarHBondContact O-N 2.75Å; R712-R715 PolarHBondContact O-N 2.92Å; I713-R715 PolarHBondContact O-N 3.33Å; R715-R774 PolarHBondContact O-NH1 2.65Å |
| 716 | Q | 74.2 | Confident | 80 | Confident | 56 Ų | 56 | 35.7 Ų | 35.7 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -85.8 | -28.5 | -177.7 | -73.8 | -179.4 | -29.6 | 0 | 0 | 113 | W517 R712 I713 R774 | W517-Q716 HydrophobicContact CH2-CB 4.07Å; W517-Q716 WeakPolarHBondContact CZ3-O 3.2Å; R712-Q716 HydrophobicContact CG-CG 4.29Å; R712-Q716 VanDerWaalsContact O-CB 3.31Å; R712-Q716 WeakPolarHBondContact O-CB 3.46Å; R712-Q716 WeakPolarHBondContact O-CG 3.2Å; R712-Q716 PolarHBondContact O-N 3Å; I713-Q716 PolarHBondContact O-N 2.9Å; Q716-R774 PolarHBondContact O-NH1 3.35Å; Q716-R774 PolarHBondContact O-NH2 2.96Å |
| 717 | G | 75.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -86.6 | -167.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I713 P719 R774 | I713-G717 WeakPolarHBondContact O-CA 3.47Å; I713-G717 PolarHBondContact O-N 3.17Å; G717-P719 WeakPolarHBondContact O-CD 3.48Å; G717-R774 WeakPolarHBondContact O-CD 2.98Å; G717-R774 PolarHBondContact O-NH1 3.35Å |
| 718 | F | 81 | Confident | 81 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | trans | -123 | 78.4 | 179.4 | -59.3 | -90.7 | 0 | 0 | 0 | 109.1 | Y510 I515 N720 R765 F772 F773 R774 | Y510-F718 HydrophobicContact CE1-CB 4.43Å; Y510-F718 PolarHBondContact OH-N 2.84Å; Y510-F718 PolarHBondContact OH-O 3.45Å; I515-F718 HydrophobicContact CD1-CD2 4.15Å; F718-N720 PolarHBondContact O-N 3.48Å; F718-R765 HydrophobicContact CD1-CG 4.32Å; F718-R765 HydrophobicContact CD2-CG 4.11Å; F718-R765 HydrophobicContact CE1-CB 4.43Å; F718-R765 HydrophobicContact CE1-CG 3.71Å; F718-R765 HydrophobicContact CE2-CB 4.4Å; F718-R765 HydrophobicContact CE2-CG 3.48Å; F718-R765 VanDerWaalsContact CE2-CG 3.48Å; F718-R765 HydrophobicContact CZ-CB 4.34Å; F718-R765 HydrophobicContact CZ-CG 3.27Å; F718-F772 HydrophobicContact CB-CB 3.6Å; F718-F772 HydrophobicContact CB-CD1 4.24Å; F718-F772 HydrophobicContact CB-CG 4.39Å; F718-F772 HydrophobicContact CG-CB 4.07Å; F718-F773 CarbonylContact C-O 3.53Å; F718-F773 VanDerWaalsContact C-O 3.27Å; F718-F773 VanDerWaalsContact CA-O 3.28Å; F718-F773 WeakPolarHBondContact CA-O 3.29Å; F718-R774 HydrophobicContact CD1-CG 4.11Å; F718-R774 HydrophobicContact CE1-CG 4.08Å | ||
| 719 | P | 70.8 | Confident | 81.2 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 14% | 0.143 | 20% | 0.202 | C | C | . | . | trans | -66.9 | -13.5 | -168.8 | 26.8 | -35.9 | 0 | 0 | 0 | 114.1 | L123 G717 A775 | L123-P719 HydrophobicContact CD1-CB 4.27Å; L123-P719 HydrophobicContact CD2-CB 4.09Å; L123-P719 HydrophobicContact CG-CB 4.27Å; G717-P719 WeakPolarHBondContact O-CD 3.48Å; P719-A775 HydrophobicContact CG-CB 4.19Å | ||
| 720 | N | 74 | Confident | 81.7 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 25% | 0.251 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.3 | 179.3 | -73.8 | -36.7 | 0 | 0 | 0 | 109.4 | F718 F772 F773 R774 L778 | F718-N720 PolarHBondContact O-N 3.48Å; N720-F772 CarbonylContact O-C 3.5Å; N720-F772 VanDerWaalsContact O-CA 3.32Å; N720-F772 WeakPolarHBondContact O-CA 3.11Å; N720-F773 HydrophobicContact CB-CB 3.88Å; N720-F773 PolarHBondContact N-O 2.75Å; N720-F773 PolarHBondContact O-N 2.84Å; N720-R774 PolarHBondContact ND2-O 2.68Å; N720-L778 HydrophobicContact CB-CD1 3.57Å; N720-L778 HydrophobicContact CB-CG 4.1Å |
| 721 | R | 85.1 | Confident | 82.3 | Confident | 121 Ų | 121 | 45.8 Ų | 45.8 | 46% | 0.457 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.9 | 179 | 61.9 | -169.3 | 179.5 | -160.7 | -1 | 111 | E506 I771 F772 | E506-R721 IonicContact OE2-NH1 3.71Å; R721-I771 CarbonylContact C-O 3.56Å; R721-I771 VanDerWaalsContact CA-O 3.29Å; R721-I771 WeakPolarHBondContact CA-O 3.37Å; R721-F772 HydrophobicContact CB-CD1 3.88Å; R721-F772 HydrophobicContact CB-CE1 3.84Å; R721-F772 HydrophobicContact CB-CZ 4.43Å |
| 722 | I | 85.6 | Confident | 82.6 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.2 | -180 | -55.8 | -174.3 | 0 | 0 | 0 | 109.3 | E726 F727 Y731 K770 I771 L778 | I722-E726 HydrophobicContact CG2-CB 3.88Å; I722-E726 HydrophobicContact CG2-CG 4.04Å; I722-F727 HydrophobicContact CB-CB 4.48Å; I722-F727 HydrophobicContact CD1-CD2 4.38Å; I722-F727 HydrophobicContact CG2-CB 3.85Å; I722-Y731 HydrophobicContact CD1-CE2 3.93Å; I722-K770 CarbonylContact O-C 3.58Å; I722-K770 WeakPolarHBondContact O-CA 3.5Å; I722-I771 HydrophobicContact CB-CG2 4.18Å; I722-I771 PolarHBondContact N-O 3.36Å; I722-I771 VanDerWaalsContact O-CG2 3.31Å; I722-I771 WeakPolarHBondContact O-CG2 3.47Å; I722-I771 PolarHBondContact O-N 2.84Å; I722-L778 HydrophobicContact CD1-CD1 3.69Å; I722-L778 HydrophobicContact CD1-CD2 3.45Å; I722-L778 VanDerWaalsContact CD1-CD2 3.45Å; I722-L778 HydrophobicContact CD1-CG 4.23Å; I722-L778 HydrophobicContact CG1-CD1 4.1Å; I722-L778 HydrophobicContact CG1-CD2 4.39Å |
| 723 | P | 90.1 | Very high | 83.2 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 34% | 0.344 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 145.9 | 170.7 | -23 | 33.9 | 0 | 0 | 0 | 112.4 | Q725 E726 F727 | P723-Q725 VanDerWaalsContact C-N 3.27Å; P723-Q725 PolarHBondContact O-N 2.88Å; P723-E726 HydrophobicContact CB-CB 4.4Å; P723-E726 WeakPolarHBondContact CD-OE2 3.38Å; P723-E726 PolarHBondContact O-N 3.13Å; P723-E726 VanDerWaalsContact O-N 3.09Å; P723-F727 PolarHBondContact O-N 3.16Å |
| 724 | F | 91.7 | Very high | 83.8 | Confident | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.1 | -39.5 | -176.7 | -61.9 | -35 | 0 | 0 | 0 | 114 | F727 R728 K747 V750 I766 Q768 S769 K770 I771 | F724-F727 PolarHBondContact O-N 3.28Å; F724-R728 WeakPolarHBondContact O-CB 3.31Å; F724-R728 PolarHBondContact O-N 2.87Å; F724-K747 HydrophobicContact CD2-CB 3.84Å; F724-K747 HydrophobicContact CD2-CG 4.44Å; F724-K747 HydrophobicContact CE2-CB 3.5Å; F724-K747 VanDerWaalsContact CE2-CB 3.5Å; F724-K747 HydrophobicContact CE2-CD 4.06Å; F724-K747 HydrophobicContact CE2-CG 3.66Å; F724-K747 HydrophobicContact CZ-CB 4.15Å; F724-K747 HydrophobicContact CZ-CD 4.32Å; F724-K747 HydrophobicContact CZ-CG 3.84Å; F724-V750 HydrophobicContact CB-CG2 3.77Å; F724-V750 HydrophobicContact CD1-CB 4.13Å; F724-V750 HydrophobicContact CD1-CG1 4.25Å; F724-V750 HydrophobicContact CD1-CG2 3.83Å; F724-V750 HydrophobicContact CG-CG2 4.1Å; F724-I766 HydrophobicContact CE1-CG2 3.86Å; F724-I766 HydrophobicContact CZ-CG2 3.71Å; F724-Q768 VanDerWaalsContact CE2-O 3.29Å; F724-Q768 WeakPolarHBondContact CE2-O 3.44Å; F724-S769 WeakPolarHBondContact CD2-O 3.47Å; F724-S769 WeakPolarHBondContact CG-O 3.49Å; F724-S769 PolarHBondContact N-O 2.9Å; F724-K770 WeakPolarHBondContact CE1-O 3.44Å; F724-K770 WeakPolarHBondContact CZ-O 3.29Å; F724-I771 HydrophobicContact CD1-CB 4.36Å; F724-I771 HydrophobicContact CE1-CB 4.13Å |
| 725 | Q | 87.6 | Confident | 84.5 | Confident | 124 Ų | 124 | 47.8 Ų | 47.8 | 58% | 0.579 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.6 | -43 | 178.3 | -176.3 | 62.7 | 16.4 | 0 | 0 | 111.9 | P723 Q729 | P723-Q725 VanDerWaalsContact C-N 3.27Å; P723-Q725 PolarHBondContact O-N 2.88Å; Q725-Q729 WeakPolarHBondContact O-CB 3.32Å; Q725-Q729 PolarHBondContact O-N 3.39Å |
| 726 | E | 86.7 | Confident | 85 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.4 | -43 | 178.4 | -173.5 | -179.2 | 175.5 | 0 | 0 | 110.9 | Q170 I722 P723 R728 Q729 R730 | Q170-E726 PolarHBondContact NE2-OE1 3.44Å; Q170-E726 VanDerWaalsContact NE2-OE1 3.14Å; I722-E726 HydrophobicContact CG2-CB 3.88Å; I722-E726 HydrophobicContact CG2-CG 4.04Å; P723-E726 HydrophobicContact CB-CB 4.4Å; P723-E726 WeakPolarHBondContact CD-OE2 3.38Å; P723-E726 PolarHBondContact O-N 3.13Å; P723-E726 VanDerWaalsContact O-N 3.09Å; E726-R728 VanDerWaalsContact C-N 3.31Å; E726-R728 PolarHBondContact O-N 3.02Å; E726-Q729 PolarHBondContact O-N 3.16Å; E726-R730 WeakPolarHBondContact O-CB 3.12Å; E726-R730 PolarHBondContact O-N 3.36Å; E726-R730 IonicContact OE1-NH1 3.6Å |
| 727 | F | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 176.7 | -173.8 | -90.7 | 0 | 0 | 0 | 111.1 | I722 P723 F724 R730 Y731 V750 M753 I754 L757 I771 F773 L781 | I722-F727 HydrophobicContact CB-CB 4.48Å; I722-F727 HydrophobicContact CD1-CD2 4.38Å; I722-F727 HydrophobicContact CG2-CB 3.85Å; P723-F727 PolarHBondContact O-N 3.16Å; F724-F727 PolarHBondContact O-N 3.28Å; F727-R730 PolarHBondContact O-N 3.12Å; F727-Y731 HydrophobicContact CD1-CD2 4.29Å; F727-Y731 AromaticContact CD2-CD2 3.33Å; F727-Y731 HydrophobicContact CD2-CD2 3.33Å; F727-Y731 AromaticContact CD2-CE2 3.55Å; F727-Y731 HydrophobicContact CD2-CE2 3.55Å; F727-Y731 HydrophobicContact CD2-CG 4.48Å; F727-Y731 HydrophobicContact CE1-CD2 4.34Å; F727-Y731 AromaticContact CE2-CD2 3.34Å; F727-Y731 HydrophobicContact CE2-CD2 3.34Å; F727-Y731 AromaticContact CE2-CE2 3.66Å; F727-Y731 HydrophobicContact CE2-CE2 3.66Å; F727-Y731 HydrophobicContact CE2-CG 4.18Å; F727-Y731 AromaticContact CG-CD2 3.83Å; F727-Y731 HydrophobicContact CG-CD2 3.83Å; F727-Y731 HydrophobicContact CG-CE2 4.38Å; F727-Y731 AromaticContact CZ-CD2 3.9Å; F727-Y731 HydrophobicContact CZ-CD2 3.9Å; F727-Y731 HydrophobicContact CZ-CG 4.38Å; F727-Y731 WeakPolarHBondContact O-CB 2.84Å; F727-Y731 VanDerWaalsContact O-CD2 3.29Å; F727-Y731 WeakPolarHBondContact O-CD2 3.26Å; F727-Y731 PolarHBondContact O-N 3.45Å; F727-V750 HydrophobicContact CB-CG2 4.32Å; F727-V750 HydrophobicContact CD1-CB 4.45Å; F727-V750 HydrophobicContact CD1-CG1 3.93Å; F727-V750 HydrophobicContact CD1-CG2 3.9Å; F727-V750 HydrophobicContact CE1-CG1 4.2Å; F727-V750 HydrophobicContact CG-CG2 4.47Å; F727-M753 HydrophobicContact CD1-CE 4.07Å; F727-M753 HydrophobicContact CD1-SD 4.35Å; F727-M753 HydrophobicContact CE1-CB 4.38Å; F727-M753 HydrophobicContact CE1-CE 3.92Å; F727-M753 HydrophobicContact CE1-SD 4.47Å; F727-I754 HydrophobicContact CE1-CG1 4.42Å; F727-I754 HydrophobicContact CZ-CG1 4.45Å; F727-L757 HydrophobicContact CZ-CD1 4.16Å; F727-I771 HydrophobicContact CB-CG2 4.15Å; F727-I771 HydrophobicContact CD2-CG2 3.89Å; F727-I771 HydrophobicContact CG-CG2 4.04Å; F727-F773 AromaticContact CD2-CE2 3.82Å; F727-F773 HydrophobicContact CD2-CE2 3.82Å; F727-F773 AromaticContact CD2-CZ 3.95Å; F727-F773 HydrophobicContact CD2-CZ 3.95Å; F727-F773 HydrophobicContact CE2-CE1 4.44Å; F727-F773 AromaticContact CE2-CE2 3.59Å; F727-F773 HydrophobicContact CE2-CE2 3.59Å; F727-F773 AromaticContact CE2-CZ 3.29Å; F727-F773 HydrophobicContact CE2-CZ 3.29Å; F727-F773 AromaticContact CZ-CZ 3.88Å; F727-F773 HydrophobicContact CZ-CZ 3.88Å; F727-L781 HydrophobicContact CE2-CD1 4.08Å; F727-L781 HydrophobicContact CZ-CD1 4.33Å |
| 728 | R | 88.9 | Confident | 85.9 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 16% | 0.158 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -57.9 | 175.4 | -179.9 | -177.8 | 170 | 178.5 | 0.8 | 111.1 | F724 E726 R730 Y731 E732 I739 M753 | F724-R728 WeakPolarHBondContact O-CB 3.31Å; F724-R728 PolarHBondContact O-N 2.87Å; E726-R728 VanDerWaalsContact C-N 3.31Å; E726-R728 PolarHBondContact O-N 3.02Å; R728-R730 PolarHBondContact O-N 2.89Å; R728-R730 VanDerWaalsContact O-N 3.11Å; R728-Y731 PolarHBondContact O-N 3.24Å; R728-E732 HydrophobicContact CG-CB 4.48Å; R728-E732 WeakPolarHBondContact CG-OE2 3.32Å; R728-E732 IonicContact NE-OE2 3.7Å; R728-E732 PolarHBondContact NE-OE2 2.65Å; R728-E732 VanDerWaalsContact NE-OE2 3.13Å; R728-E732 IonicContact NH2-OE2 3.03Å; R728-E732 WeakPolarHBondContact O-CB 2.83Å; R728-E732 PolarHBondContact O-N 2.8Å; R728-I739 HydrophobicContact CG-CD1 3.87Å; R728-M753 HydrophobicContact CB-SD 4.06Å; R728-M753 HydrophobicContact CG-SD 4.04Å |
| 729 | Q | 85.8 | Confident | 86 | Confident | 154 Ų | 154 | 56.8 Ų | 56.8 | 72% | 0.72 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.6 | -33.9 | -177.4 | -173.4 | 177.2 | 9.7 | 0 | 0 | 112.5 | Q725 E726 | Q725-Q729 WeakPolarHBondContact O-CB 3.32Å; Q725-Q729 PolarHBondContact O-N 3.39Å; E726-Q729 PolarHBondContact O-N 3.16Å |
| 730 | R | 88.1 | Confident | 86.4 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -82.1 | -44.1 | -176.5 | -163.7 | 166.2 | -177.5 | 147.3 | 1.3 | 113 | E726 F727 R728 E782 R785 | E726-R730 WeakPolarHBondContact O-CB 3.12Å; E726-R730 PolarHBondContact O-N 3.36Å; E726-R730 IonicContact OE1-NH1 3.6Å; F727-R730 PolarHBondContact O-N 3.12Å; R728-R730 PolarHBondContact O-N 2.89Å; R728-R730 VanDerWaalsContact O-N 3.11Å; R730-E782 IonicContact CZ-OE1 2.94Å; R730-E782 IonicContact NE-OE1 2.81Å; R730-E782 PolarHBondContact NE-OE1 2.93Å; R730-E782 VanDerWaalsContact NH2-CD 3.34Å; R730-E782 IonicContact NH2-OE1 3.3Å; R730-E782 PolarHBondContact NH2-OE1 2.63Å; R730-E782 IonicContact NH2-OE2 3.89Å; R730-E782 PolarHBondContact NH2-OE2 2.93Å; R730-E782 VanDerWaalsContact NH2-OE2 3.11Å; R730-R785 WeakPolarHBondContact O-CD 2.79Å; R730-R785 PolarHBondContact O-NE 2.83Å |
| 731 | Y | 90.2 | Very high | 86.5 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -108.5 | -2.2 | -170.4 | -56.5 | -69.7 | 0 | 0 | 0 | 114.8 | I722 F727 R728 I733 L734 M753 L781 E782 | I722-Y731 HydrophobicContact CD1-CE2 3.93Å; F727-Y731 HydrophobicContact CD1-CD2 4.29Å; F727-Y731 AromaticContact CD2-CD2 3.33Å; F727-Y731 HydrophobicContact CD2-CD2 3.33Å; F727-Y731 AromaticContact CD2-CE2 3.55Å; F727-Y731 HydrophobicContact CD2-CE2 3.55Å; F727-Y731 HydrophobicContact CD2-CG 4.48Å; F727-Y731 HydrophobicContact CE1-CD2 4.34Å; F727-Y731 AromaticContact CE2-CD2 3.34Å; F727-Y731 HydrophobicContact CE2-CD2 3.34Å; F727-Y731 AromaticContact CE2-CE2 3.66Å; F727-Y731 HydrophobicContact CE2-CE2 3.66Å; F727-Y731 HydrophobicContact CE2-CG 4.18Å; F727-Y731 AromaticContact CG-CD2 3.83Å; F727-Y731 HydrophobicContact CG-CD2 3.83Å; F727-Y731 HydrophobicContact CG-CE2 4.38Å; F727-Y731 AromaticContact CZ-CD2 3.9Å; F727-Y731 HydrophobicContact CZ-CD2 3.9Å; F727-Y731 HydrophobicContact CZ-CG 4.38Å; F727-Y731 WeakPolarHBondContact O-CB 2.84Å; F727-Y731 VanDerWaalsContact O-CD2 3.29Å; F727-Y731 WeakPolarHBondContact O-CD2 3.26Å; F727-Y731 PolarHBondContact O-N 3.45Å; R728-Y731 PolarHBondContact O-N 3.24Å; Y731-I733 PolarHBondContact O-N 2.65Å; Y731-I733 VanDerWaalsContact O-N 3.12Å; Y731-L734 HydrophobicContact CD1-CD1 4Å; Y731-L734 VanDerWaalsContact O-CB 3.27Å; Y731-L734 WeakPolarHBondContact O-CB 3.18Å; Y731-L734 PolarHBondContact O-N 2.94Å; Y731-M753 VanDerWaalsContact C-CE 3.47Å; Y731-L781 HydrophobicContact CD1-CB 4.08Å; Y731-L781 HydrophobicContact CE1-CB 3.72Å; Y731-E782 HydrophobicContact CE1-CG 4.26Å; Y731-E782 PolarHBondContact OH-OE1 3.11Å |
| 732 | E | 90.1 | Very high | 86.1 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -58 | -27.3 | 177.1 | 178.1 | 168 | 180 | 0 | 0 | 112.7 | R728 L734 T735 I739 M753 | R728-E732 HydrophobicContact CG-CB 4.48Å; R728-E732 WeakPolarHBondContact CG-OE2 3.32Å; R728-E732 IonicContact NE-OE2 3.7Å; R728-E732 PolarHBondContact NE-OE2 2.65Å; R728-E732 VanDerWaalsContact NE-OE2 3.13Å; R728-E732 IonicContact NH2-OE2 3.03Å; R728-E732 WeakPolarHBondContact O-CB 2.83Å; R728-E732 PolarHBondContact O-N 2.8Å; E732-L734 PolarHBondContact O-N 2.62Å; E732-T735 CarbonylContact O-C 3.54Å; E732-T735 VanDerWaalsContact O-C 3.31Å; E732-T735 PolarHBondContact O-N 2.64Å; E732-T735 PolarHBondContact O-OG1 2.57Å; E732-I739 HydrophobicContact CG-CD1 4.48Å; E732-M753 HydrophobicContact CB-CE 4.27Å |
| 733 | I | 89.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 34% | 0.344 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -59 | -25.6 | 172 | -167.2 | 170 | 0 | 0 | 0 | 113.6 | Y731 R785 R788 L789 | Y731-I733 PolarHBondContact O-N 2.65Å; Y731-I733 VanDerWaalsContact O-N 3.12Å; I733-R785 HydrophobicContact CG2-CG 3.97Å; I733-R788 HydrophobicContact CD1-CB 4.42Å; I733-L789 HydrophobicContact CD1-CD2 3.38Å; I733-L789 HydrophobicContact CD1-CG 3.95Å |
| 734 | L | 88.4 | Confident | 85.3 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -79.9 | -22.4 | 175.9 | -58.8 | -179.5 | 0 | 0 | 0 | 112.2 | Y731 E732 P736 L757 L781 E784 R785 R788 | Y731-L734 HydrophobicContact CD1-CD1 4Å; Y731-L734 VanDerWaalsContact O-CB 3.27Å; Y731-L734 WeakPolarHBondContact O-CB 3.18Å; Y731-L734 PolarHBondContact O-N 2.94Å; E732-L734 PolarHBondContact O-N 2.62Å; L734-P736 VanDerWaalsContact O-CD 3.31Å; L734-P736 WeakPolarHBondContact O-CD 3.21Å; L734-L757 HydrophobicContact CB-CD2 3.84Å; L734-L757 HydrophobicContact CD1-CD2 4.15Å; L734-L781 HydrophobicContact CD1-CD2 4.27Å; L734-E784 HydrophobicContact CD1-CB 4.43Å; L734-E784 HydrophobicContact CD2-CB 4.14Å; L734-R785 HydrophobicContact CD1-CB 4.45Å; L734-R785 HydrophobicContact CD2-CB 4.3Å; L734-R788 HydrophobicContact CD2-CG 4Å |
| 735 | T | 88.3 | Confident | 85 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.018 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -122.5 | 59.6 | -174.9 | 59 | 0 | 0 | 0 | 0 | 112.2 | E732 V738 M753 L757 | E732-T735 CarbonylContact O-C 3.54Å; E732-T735 VanDerWaalsContact O-C 3.31Å; E732-T735 PolarHBondContact O-N 2.64Å; E732-T735 PolarHBondContact O-OG1 2.57Å; T735-V738 PolarHBondContact O-N 3.25Å; T735-M753 HydrophobicContact CG2-CB 4.32Å; T735-L757 HydrophobicContact CG2-CD1 4.44Å; T735-L757 HydrophobicContact CG2-CD2 3.95Å; T735-L757 HydrophobicContact CG2-CG 3.76Å |
| 736 | P | 83.3 | Confident | 85 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 139.6 | -179.8 | 27.3 | -34.1 | 0 | 0 | 0 | 111.2 | L734 V738 | L734-P736 VanDerWaalsContact O-CD 3.31Å; L734-P736 WeakPolarHBondContact O-CD 3.21Å; P736-V738 VanDerWaalsContact C-N 3.25Å; P736-V738 PolarHBondContact O-N 2.63Å |
| 737 | N | 83.5 | Confident | 85.1 | Confident | 167 Ų | 167 | 69.5 Ų | 69.5 | 89% | 0.893 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 4 | 178.6 | -49 | -46.5 | 0 | 0 | 0 | 116.9 | ||
| 738 | V | 85.6 | Confident | 85 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -40.8 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | T735 P736 K752 S756 | T735-V738 PolarHBondContact O-N 3.25Å; P736-V738 VanDerWaalsContact C-N 3.25Å; P736-V738 PolarHBondContact O-N 2.63Å; V738-K752 HydrophobicContact CG1-CB 3.87Å; V738-S756 WeakPolarHBondContact CG2-OG 3.14Å |
| 739 | I | 83.1 | Confident | 85 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -94.1 | 125 | 177.2 | -55.6 | 171.1 | 0 | 0 | 0 | 108.6 | R728 E732 A749 M753 | R728-I739 HydrophobicContact CG-CD1 3.87Å; E732-I739 HydrophobicContact CG-CD1 4.48Å; I739-A749 HydrophobicContact CD1-CB 4.03Å; I739-M753 HydrophobicContact CD1-CG 3.75Å; I739-M753 HydrophobicContact CD1-SD 3.66Å; I739-M753 HydrophobicContact CG1-CG 4.27Å |
| 740 | S | 78.2 | Confident | 85.3 | Confident | 66 Ų | 66 | 64 Ų | 64 | 46% | 0.462 | 34% | 0.335 | S | S | . | . | trans | -62.3 | 146.8 | 173 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | G742 | S740-G742 PolarHBondContact O-N 2.6Å; S740-G742 VanDerWaalsContact O-O 3.06Å | ||
| 741 | K | 77.2 | Confident | 85.3 | Confident | 224 Ų | 224 | 64.3 Ų | 64.3 | 97% | 0.974 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -58.3 | -15 | 177.4 | -66.3 | -173 | 177.8 | -175.5 | 0 | 114.8 | ||
| 742 | G | 75.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -76 | 166.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S740 M744 | S740-G742 PolarHBondContact O-N 2.6Å; S740-G742 VanDerWaalsContact O-O 3.06Å; G742-M744 PolarHBondContact O-N 3.47Å |
| 743 | F | 78 | Confident | 85.4 | Confident | 200 Ų | 200 | 65 Ų | 65 | 88% | 0.877 | 34% | 0.34 | S | S | * | . | trans | -62.6 | 132.8 | 173.9 | -178.4 | -94.1 | 0 | 0 | 0 | 110.8 | ||||
| 744 | M | 81.8 | Confident | 85.4 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 17% | 0.167 | 33% | 0.325 | C | S | . | . | trans | -138.1 | 143.5 | 175.4 | -176.8 | 175.8 | -61.6 | 0 | 0 | 107.4 | G742 E748 A749 K752 | G742-M744 PolarHBondContact O-N 3.47Å; M744-E748 HydrophobicContact CG-CB 4.31Å; M744-A749 HydrophobicContact CG-CB 4.43Å; M744-A749 HydrophobicContact SD-CB 4.29Å; M744-K752 HydrophobicContact CE-CD 4.39Å; M744-K752 HydrophobicContact SD-CD 4.05Å | ||
| 745 | D | 85.7 | Confident | 85.4 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | trans | -56.5 | 140.4 | 175.9 | 177.5 | 50 | 0 | 0 | 0 | 111.3 | K747 E748 A749 | D745-K747 VanDerWaalsContact C-N 3.28Å; D745-K747 PolarHBondContact O-N 3.33Å; D745-K747 VanDerWaalsContact OD2-CB 3.31Å; D745-K747 WeakPolarHBondContact OD2-CB 3.3Å; D745-K747 PolarHBondContact OD2-N 2.92Å; D745-E748 HydrophobicContact CB-CB 4.41Å; D745-E748 HydrophobicContact CB-CG 4.45Å; D745-E748 PolarHBondContact O-N 2.79Å; D745-A749 WeakPolarHBondContact O-CB 3.16Å; D745-A749 PolarHBondContact O-N 2.85Å | ||
| 746 | G | 86.3 | Confident | 85.5 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.2 | -38.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A749 V750 | G746-A749 PolarHBondContact O-N 3.37Å; G746-V750 VanDerWaalsContact O-CG2 3.31Å; G746-V750 WeakPolarHBondContact O-CG2 3.21Å; G746-V750 PolarHBondContact O-N 2.89Å |
| 747 | K | 89 | Confident | 85.7 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 179.3 | -170.5 | 171.6 | -179.3 | 161.8 | 0 | 111.6 | F724 D745 V750 K751 I766 G767 Q768 | F724-K747 HydrophobicContact CD2-CB 3.84Å; F724-K747 HydrophobicContact CD2-CG 4.44Å; F724-K747 HydrophobicContact CE2-CB 3.5Å; F724-K747 VanDerWaalsContact CE2-CB 3.5Å; F724-K747 HydrophobicContact CE2-CD 4.06Å; F724-K747 HydrophobicContact CE2-CG 3.66Å; F724-K747 HydrophobicContact CZ-CB 4.15Å; F724-K747 HydrophobicContact CZ-CD 4.32Å; F724-K747 HydrophobicContact CZ-CG 3.84Å; D745-K747 VanDerWaalsContact C-N 3.28Å; D745-K747 PolarHBondContact O-N 3.33Å; D745-K747 VanDerWaalsContact OD2-CB 3.31Å; D745-K747 WeakPolarHBondContact OD2-CB 3.3Å; D745-K747 PolarHBondContact OD2-N 2.92Å; K747-V750 PolarHBondContact O-N 3.14Å; K747-K751 WeakPolarHBondContact O-CG 3.37Å; K747-K751 PolarHBondContact O-N 2.97Å; K747-I766 HydrophobicContact CG-CG2 4.01Å; K747-G767 WeakPolarHBondContact CE-O 3.46Å; K747-G767 PolarHBondContact NZ-O 3.38Å; K747-Q768 VanDerWaalsContact NZ-OE1 3.1Å |
| 748 | E | 88.8 | Confident | 85.8 | Confident | 82 Ų | 82 | 66 Ų | 66 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 177.4 | -69 | -58.4 | 125.5 | 0 | 0 | 112.3 | M744 D745 K751 K752 | M744-E748 HydrophobicContact CG-CB 4.31Å; D745-E748 HydrophobicContact CB-CB 4.41Å; D745-E748 HydrophobicContact CB-CG 4.45Å; D745-E748 PolarHBondContact O-N 2.79Å; E748-K751 PolarHBondContact O-N 2.83Å; E748-K751 IonicContact OE1-NZ 2.98Å; E748-K751 PolarHBondContact OE1-NZ 2.89Å; E748-K752 PolarHBondContact O-N 2.91Å |
| 749 | A | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I739 M744 D745 G746 K751 K752 M753 | I739-A749 HydrophobicContact CD1-CB 4.03Å; M744-A749 HydrophobicContact CG-CB 4.43Å; M744-A749 HydrophobicContact SD-CB 4.29Å; D745-A749 WeakPolarHBondContact O-CB 3.16Å; D745-A749 PolarHBondContact O-N 2.85Å; G746-A749 PolarHBondContact O-N 3.37Å; A749-K751 PolarHBondContact O-N 2.9Å; A749-K752 PolarHBondContact O-N 2.89Å; A749-M753 VanDerWaalsContact O-CG 3.29Å; A749-M753 WeakPolarHBondContact O-CG 3.22Å; A749-M753 PolarHBondContact O-N 3.48Å |
| 750 | V | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 178.7 | 172.4 | 0 | 0 | 0 | 0 | 112 | F724 F727 G746 K747 K752 M753 I754 I771 | F724-V750 HydrophobicContact CB-CG2 3.77Å; F724-V750 HydrophobicContact CD1-CB 4.13Å; F724-V750 HydrophobicContact CD1-CG1 4.25Å; F724-V750 HydrophobicContact CD1-CG2 3.83Å; F724-V750 HydrophobicContact CG-CG2 4.1Å; F727-V750 HydrophobicContact CB-CG2 4.32Å; F727-V750 HydrophobicContact CD1-CB 4.45Å; F727-V750 HydrophobicContact CD1-CG1 3.93Å; F727-V750 HydrophobicContact CD1-CG2 3.9Å; F727-V750 HydrophobicContact CE1-CG1 4.2Å; F727-V750 HydrophobicContact CG-CG2 4.47Å; G746-V750 VanDerWaalsContact O-CG2 3.31Å; G746-V750 WeakPolarHBondContact O-CG2 3.21Å; G746-V750 PolarHBondContact O-N 2.89Å; K747-V750 PolarHBondContact O-N 3.14Å; V750-K752 PolarHBondContact O-N 2.84Å; V750-M753 PolarHBondContact O-N 3.31Å; V750-I754 HydrophobicContact CG1-CD1 4.41Å; V750-I754 HydrophobicContact CG1-CG1 4.42Å; V750-I754 WeakPolarHBondContact O-CB 3.43Å; V750-I754 WeakPolarHBondContact O-CG1 3.4Å; V750-I754 PolarHBondContact O-N 3.33Å; V750-I771 HydrophobicContact CG1-CB 4.43Å; V750-I771 HydrophobicContact CG1-CD1 3.82Å |
| 751 | K | 90.1 | Very high | 85.7 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 30% | 0.3 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 174.7 | -77.5 | 176.7 | -175.2 | 171.2 | 0 | 111.8 | K747 E748 A749 M753 I754 E755 I766 | K747-K751 WeakPolarHBondContact O-CG 3.37Å; K747-K751 PolarHBondContact O-N 2.97Å; E748-K751 PolarHBondContact O-N 2.83Å; E748-K751 IonicContact OE1-NZ 2.98Å; E748-K751 PolarHBondContact OE1-NZ 2.89Å; A749-K751 PolarHBondContact O-N 2.9Å; K751-M753 VanDerWaalsContact C-N 3.34Å; K751-M753 PolarHBondContact O-N 2.82Å; K751-I754 PolarHBondContact O-N 2.84Å; K751-E755 WeakPolarHBondContact O-CG 3.05Å; K751-E755 PolarHBondContact O-N 2.67Å; K751-I766 HydrophobicContact CG-CD1 3.56Å |
| 752 | K | 89.9 | Confident | 85.9 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.1 | -71.3 | -176.1 | 177.3 | -179.2 | 0 | 112.6 | V738 M744 E748 A749 V750 I754 E755 S756 | V738-K752 HydrophobicContact CG1-CB 3.87Å; M744-K752 HydrophobicContact CE-CD 4.39Å; M744-K752 HydrophobicContact SD-CD 4.05Å; E748-K752 PolarHBondContact O-N 2.91Å; A749-K752 PolarHBondContact O-N 2.89Å; V750-K752 PolarHBondContact O-N 2.84Å; K752-I754 VanDerWaalsContact C-N 3.32Å; K752-E755 PolarHBondContact O-N 2.76Å; K752-S756 PolarHBondContact O-N 2.69Å |
| 753 | M | 91.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.9 | -71.1 | 175.4 | 67.2 | 0 | 0 | 111.1 | F727 R728 Y731 E732 T735 I739 A749 V750 K751 S756 L757 | F727-M753 HydrophobicContact CD1-CE 4.07Å; F727-M753 HydrophobicContact CD1-SD 4.35Å; F727-M753 HydrophobicContact CE1-CB 4.38Å; F727-M753 HydrophobicContact CE1-CE 3.92Å; F727-M753 HydrophobicContact CE1-SD 4.47Å; R728-M753 HydrophobicContact CB-SD 4.06Å; R728-M753 HydrophobicContact CG-SD 4.04Å; Y731-M753 VanDerWaalsContact C-CE 3.47Å; E732-M753 HydrophobicContact CB-CE 4.27Å; T735-M753 HydrophobicContact CG2-CB 4.32Å; I739-M753 HydrophobicContact CD1-CG 3.75Å; I739-M753 HydrophobicContact CD1-SD 3.66Å; I739-M753 HydrophobicContact CG1-CG 4.27Å; A749-M753 VanDerWaalsContact O-CG 3.29Å; A749-M753 WeakPolarHBondContact O-CG 3.22Å; A749-M753 PolarHBondContact O-N 3.48Å; V750-M753 PolarHBondContact O-N 3.31Å; K751-M753 VanDerWaalsContact C-N 3.34Å; K751-M753 PolarHBondContact O-N 2.82Å; M753-S756 CarbonylContact O-C 3.57Å; M753-S756 PolarHBondContact O-N 2.84Å; M753-L757 WeakPolarHBondContact O-CB 3.12Å; M753-L757 VanDerWaalsContact O-CG 3.27Å; M753-L757 WeakPolarHBondContact O-CG 3.38Å; M753-L757 PolarHBondContact O-N 2.69Å |
| 754 | I | 90.8 | Very high | 86.9 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 178.9 | -78.2 | -158 | 0 | 0 | 0 | 113 | F727 V750 K751 K752 S756 L757 E758 L759 F764 I771 F773 | F727-I754 HydrophobicContact CE1-CG1 4.42Å; F727-I754 HydrophobicContact CZ-CG1 4.45Å; V750-I754 HydrophobicContact CG1-CD1 4.41Å; V750-I754 HydrophobicContact CG1-CG1 4.42Å; V750-I754 WeakPolarHBondContact O-CB 3.43Å; V750-I754 WeakPolarHBondContact O-CG1 3.4Å; V750-I754 PolarHBondContact O-N 3.33Å; K751-I754 PolarHBondContact O-N 2.84Å; K752-I754 VanDerWaalsContact C-N 3.32Å; I754-S756 PolarHBondContact O-N 2.88Å; I754-L757 PolarHBondContact O-N 3.34Å; I754-E758 PolarHBondContact O-N 3.48Å; I754-L759 HydrophobicContact CD1-CD1 4.3Å; I754-L759 HydrophobicContact CG1-CD1 4.29Å; I754-L759 HydrophobicContact CG2-CB 4.33Å; I754-L759 PolarHBondContact O-N 3.27Å; I754-F764 HydrophobicContact CD1-CD1 4.21Å; I754-F764 HydrophobicContact CD1-CD2 3.75Å; I754-F764 HydrophobicContact CD1-CE1 4.37Å; I754-F764 HydrophobicContact CD1-CE2 3.96Å; I754-F764 HydrophobicContact CD1-CG 3.91Å; I754-F764 HydrophobicContact CD1-CZ 4.28Å; I754-F764 HydrophobicContact CG2-CD1 4.28Å; I754-F764 HydrophobicContact CG2-CE1 3.54Å; I754-F764 HydrophobicContact CG2-CE2 3.89Å; I754-F764 HydrophobicContact CG2-CZ 3.34Å; I754-I771 HydrophobicContact CD1-CD1 3.03Å; I754-I771 HydrophobicContact CD1-CG1 4.47Å; I754-I771 HydrophobicContact CG1-CD1 4.23Å; I754-F773 HydrophobicContact CD1-CE1 4.43Å; I754-F773 HydrophobicContact CD1-CZ 4.42Å |
| 755 | E | 88.5 | Confident | 87.3 | Confident | 144 Ų | 144 | 52.7 Ų | 52.7 | 67% | 0.673 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.1 | -40.4 | 172.2 | -73.8 | 172.3 | -176.5 | 0 | 0 | 110.8 | K751 K752 E758 | K751-E755 WeakPolarHBondContact O-CG 3.05Å; K751-E755 PolarHBondContact O-N 2.67Å; K752-E755 PolarHBondContact O-N 2.76Å; E755-E758 PolarHBondContact O-N 2.84Å |
| 756 | S | 88.7 | Confident | 87.5 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.1 | -27 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 114.5 | V738 K752 M753 I754 | V738-S756 WeakPolarHBondContact CG2-OG 3.14Å; K752-S756 PolarHBondContact O-N 2.69Å; M753-S756 CarbonylContact O-C 3.57Å; M753-S756 PolarHBondContact O-N 2.84Å; I754-S756 PolarHBondContact O-N 2.88Å |
| 757 | L | 87.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -80.1 | -7.8 | 173.6 | -71.4 | 168.6 | 0 | 0 | 0 | 111.9 | F727 L734 T735 M753 I754 L759 L781 | F727-L757 HydrophobicContact CZ-CD1 4.16Å; L734-L757 HydrophobicContact CB-CD2 3.84Å; L734-L757 HydrophobicContact CD1-CD2 4.15Å; T735-L757 HydrophobicContact CG2-CD1 4.44Å; T735-L757 HydrophobicContact CG2-CD2 3.95Å; T735-L757 HydrophobicContact CG2-CG 3.76Å; M753-L757 WeakPolarHBondContact O-CB 3.12Å; M753-L757 VanDerWaalsContact O-CG 3.27Å; M753-L757 WeakPolarHBondContact O-CG 3.38Å; M753-L757 PolarHBondContact O-N 2.69Å; I754-L757 PolarHBondContact O-N 3.34Å; L757-L759 HydrophobicContact CB-CD1 4.29Å; L757-L759 HydrophobicContact CB-CG 3.97Å; L757-L759 HydrophobicContact CD1-CD1 4.31Å; L757-L759 PolarHBondContact O-N 3.46Å; L757-L759 VanDerWaalsContact O-N 3.17Å; L757-L781 HydrophobicContact CD1-CD2 4.08Å; L757-L781 HydrophobicContact CD2-CD2 4.3Å |
| 758 | E | 85.5 | Confident | 87.8 | Confident | 135 Ų | 135 | 53.4 Ų | 53.4 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 33.4 | -179.1 | -58.6 | -177 | 172.7 | 0 | 0 | 113.1 | I754 E755 F1440 | I754-E758 PolarHBondContact O-N 3.48Å; E755-E758 PolarHBondContact O-N 2.84Å; E758-F1440 WeakPolarHBondContact OE2-CZ 3.48Å |
| 759 | L | 83.6 | Confident | 87.8 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | trans | -71.4 | 136.8 | 177 | -65 | 173.5 | 0 | 0 | 0 | 110.4 | I754 L757 F764 F773 V777 L781 | I754-L759 HydrophobicContact CD1-CD1 4.3Å; I754-L759 HydrophobicContact CG1-CD1 4.29Å; I754-L759 HydrophobicContact CG2-CB 4.33Å; I754-L759 PolarHBondContact O-N 3.27Å; L757-L759 HydrophobicContact CB-CD1 4.29Å; L757-L759 HydrophobicContact CB-CG 3.97Å; L757-L759 HydrophobicContact CD1-CD1 4.31Å; L757-L759 PolarHBondContact O-N 3.46Å; L757-L759 VanDerWaalsContact O-N 3.17Å; L759-F764 HydrophobicContact CB-CD1 4.04Å; L759-F764 HydrophobicContact CB-CE1 4.07Å; L759-F764 WeakPolarHBondContact O-CE1 3.32Å; L759-F773 HydrophobicContact CD1-CE1 4.07Å; L759-V777 HydrophobicContact CD2-CG1 4.42Å; L759-L781 HydrophobicContact CD1-CD1 4.2Å; L759-L781 HydrophobicContact CD1-CD2 4.45Å | ||
| 760 | E | 77.5 | Confident | 87.9 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | trans | -70 | 137.6 | 179 | -167.8 | -171.4 | -164.2 | 0 | 0 | 111.5 | N762 L763 F764 M1433 | E760-N762 PolarHBondContact O-N 3.31Å; E760-L763 HydrophobicContact CB-CD1 4.13Å; E760-L763 HydrophobicContact CB-CG 4.23Å; E760-L763 WeakPolarHBondContact O-CB 3.25Å; E760-L763 PolarHBondContact O-N 3.31Å; E760-F764 WeakPolarHBondContact O-CD1 3.43Å; E760-F764 VanDerWaalsContact O-CE1 3.27Å; E760-F764 WeakPolarHBondContact O-CE1 3.42Å; E760-M1433 HydrophobicContact CB-CE 3.62Å; E760-M1433 VanDerWaalsContact CD-CG 3.48Å; E760-M1433 HydrophobicContact CG-CE 3.65Å; E760-M1433 HydrophobicContact CG-SD 4.15Å; E760-M1433 WeakPolarHBondContact OE1-CG 3.42Å; E760-M1433 WeakPolarHBondContact OE2-CE 3.35Å; E760-M1433 VanDerWaalsContact OE2-CG 3.23Å; E760-M1433 WeakPolarHBondContact OE2-CG 3.46Å | ||
| 761 | P | 83.9 | Confident | 88 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.7 | 178.7 | -29 | 35.4 | 0 | 0 | 0 | 115.9 | R765 | P761-R765 PolarHBondContact O-NH1 3.06Š|
| 762 | N | 81.9 | Confident | 88 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -21.2 | 177.4 | -167.3 | 22.4 | 0 | 0 | 0 | 113.6 | E760 F764 R774 | E760-N762 PolarHBondContact O-N 3.31Å; N762-F764 VanDerWaalsContact C-N 3.31Å; N762-R774 PolarHBondContact O-NE 2.52Å |
| 763 | L | 84.9 | Confident | 87.7 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 29% | 0.288 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.5 | -178.5 | -64.7 | 177.9 | 0 | 0 | 0 | 112.7 | E760 F773 R774 V777 | E760-L763 HydrophobicContact CB-CD1 4.13Å; E760-L763 HydrophobicContact CB-CG 4.23Å; E760-L763 WeakPolarHBondContact O-CB 3.25Å; E760-L763 PolarHBondContact O-N 3.31Å; L763-F773 WeakPolarHBondContact O-CA 3.01Å; L763-R774 WeakPolarHBondContact O-CG 3.27Å; L763-R774 PolarHBondContact O-N 2.79Å; L763-V777 HydrophobicContact CB-CG2 4.03Å; L763-V777 HydrophobicContact CD2-CG2 4.19Å |
| 764 | F | 89.2 | Confident | 87.2 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 164.1 | 179.8 | 71.2 | -87.5 | 0 | 0 | 0 | 112.9 | I754 L759 E760 N762 I766 I771 F772 F773 | I754-F764 HydrophobicContact CD1-CD1 4.21Å; I754-F764 HydrophobicContact CD1-CD2 3.75Å; I754-F764 HydrophobicContact CD1-CE1 4.37Å; I754-F764 HydrophobicContact CD1-CE2 3.96Å; I754-F764 HydrophobicContact CD1-CG 3.91Å; I754-F764 HydrophobicContact CD1-CZ 4.28Å; I754-F764 HydrophobicContact CG2-CD1 4.28Å; I754-F764 HydrophobicContact CG2-CE1 3.54Å; I754-F764 HydrophobicContact CG2-CE2 3.89Å; I754-F764 HydrophobicContact CG2-CZ 3.34Å; L759-F764 HydrophobicContact CB-CD1 4.04Å; L759-F764 HydrophobicContact CB-CE1 4.07Å; L759-F764 WeakPolarHBondContact O-CE1 3.32Å; E760-F764 WeakPolarHBondContact O-CD1 3.43Å; E760-F764 VanDerWaalsContact O-CE1 3.27Å; E760-F764 WeakPolarHBondContact O-CE1 3.42Å; N762-F764 VanDerWaalsContact C-N 3.31Å; F764-I766 HydrophobicContact CD2-CD1 4.38Å; F764-I766 HydrophobicContact CD2-CG1 3.85Å; F764-I766 HydrophobicContact CE2-CD1 3.86Å; F764-I766 HydrophobicContact CE2-CG1 3.8Å; F764-I771 HydrophobicContact CB-CD1 4.34Å; F764-I771 HydrophobicContact CB-CG1 4.49Å; F764-I771 HydrophobicContact CD2-CD1 4.11Å; F764-I771 HydrophobicContact CG-CD1 4.47Å; F764-F772 CarbonylContact C-O 3.49Å; F764-F772 WeakPolarHBondContact CA-O 3.05Å; F764-F772 WeakPolarHBondContact CB-O 2.97Å; F764-F773 HydrophobicContact CB-CD1 3.69Å; F764-F773 HydrophobicContact CB-CE1 3.74Å |
| 765 | R | 89.6 | Confident | 86 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.4 | 166.2 | -72.9 | -69 | -177.7 | -85.6 | 12.5 | 109.1 | I515 E516 F718 P761 F772 | I515-R765 HydrophobicContact CB-CB 4.09Å; I515-R765 HydrophobicContact CD1-CB 4.33Å; I515-R765 HydrophobicContact CG2-CB 4.07Å; E516-R765 IonicContact OE2-NE 2.75Å; E516-R765 IonicContact OE2-NH2 2.83Å; F718-R765 HydrophobicContact CD1-CG 4.32Å; F718-R765 HydrophobicContact CD2-CG 4.11Å; F718-R765 HydrophobicContact CE1-CB 4.43Å; F718-R765 HydrophobicContact CE1-CG 3.71Å; F718-R765 HydrophobicContact CE2-CB 4.4Å; F718-R765 HydrophobicContact CE2-CG 3.48Å; F718-R765 VanDerWaalsContact CE2-CG 3.48Å; F718-R765 HydrophobicContact CZ-CB 4.34Å; F718-R765 HydrophobicContact CZ-CG 3.27Å; P761-R765 PolarHBondContact O-NH1 3.06Å; R765-F772 HydrophobicContact CB-CB 4.21Å; R765-F772 PolarHBondContact N-O 3.16Å; R765-F772 WeakPolarHBondContact O-CB 3.36Å; R765-F772 PolarHBondContact O-N 2.95Å |
| 766 | I | 91.2 | Very high | 84.9 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.9 | 178.5 | -59.5 | 178.7 | 0 | 0 | 0 | 107.9 | F724 K747 K751 F764 I771 | F724-I766 HydrophobicContact CE1-CG2 3.86Å; F724-I766 HydrophobicContact CZ-CG2 3.71Å; K747-I766 HydrophobicContact CG-CG2 4.01Å; K751-I766 HydrophobicContact CG-CD1 3.56Å; F764-I766 HydrophobicContact CD2-CD1 4.38Å; F764-I766 HydrophobicContact CD2-CG1 3.85Å; F764-I766 HydrophobicContact CE2-CD1 3.86Å; F764-I766 HydrophobicContact CE2-CG1 3.8Å; I766-I771 HydrophobicContact CG1-CD1 4.17Å |
| 767 | G | 91 | Very high | 84.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | trans | -87.1 | -151.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E513 K747 K770 | E513-G767 CarbonylContact O-C 3.45Å; E513-G767 VanDerWaalsContact O-C 3.32Å; E513-G767 WeakPolarHBondContact O-CA 3.43Å; K747-G767 WeakPolarHBondContact CE-O 3.46Å; K747-G767 PolarHBondContact NZ-O 3.38Å; G767-K770 WeakPolarHBondContact CA-O 3.4Å; G767-K770 PolarHBondContact N-O 2.57Å | ||
| 768 | Q | 89.3 | Confident | 83.8 | Confident | 123 Ų | 123 | 44.8 Ų | 44.8 | 58% | 0.575 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -90.1 | -34.5 | 175.8 | -64.8 | -60 | -1.8 | 0 | 0 | 112.5 | E513 F724 K747 | E513-Q768 WeakPolarHBondContact O-CG 3.23Å; E513-Q768 PolarHBondContact O-N 3.37Å; E513-Q768 PolarHBondContact OE2-N 2.75Å; F724-Q768 VanDerWaalsContact CE2-O 3.29Å; F724-Q768 WeakPolarHBondContact CE2-O 3.44Å; K747-Q768 VanDerWaalsContact NZ-OE1 3.1Å |
| 769 | S | 90 | Very high | 82.9 | Confident | 55 Ų | 55 | 39.5 Ų | 39.5 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -129.2 | -20.5 | -179 | 80.5 | 0 | 0 | 0 | 0 | 113.3 | E513 F724 | E513-S769 PolarHBondContact OE1-OG 3.37Å; E513-S769 PolarHBondContact OE2-N 2.76Å; E513-S769 PolarHBondContact OE2-OG 2.82Å; F724-S769 WeakPolarHBondContact CD2-O 3.47Å; F724-S769 WeakPolarHBondContact CG-O 3.49Å; F724-S769 PolarHBondContact N-O 2.9Å |
| 770 | K | 91.6 | Very high | 82.5 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 22% | 0.222 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156 | -175.3 | -62.6 | 167 | -162.9 | 177.5 | 0 | 111.9 | E509 E513 I722 F724 G767 F772 | E509-K770 IonicContact OE1-NZ 2.7Å; E509-K770 PolarHBondContact OE1-NZ 2.56Å; E513-K770 PolarHBondContact OE2-N 3.28Å; E513-K770 VanDerWaalsContact OE2-N 3.07Å; I722-K770 CarbonylContact O-C 3.58Å; I722-K770 WeakPolarHBondContact O-CA 3.5Å; F724-K770 WeakPolarHBondContact CE1-O 3.44Å; F724-K770 WeakPolarHBondContact CZ-O 3.29Å; G767-K770 WeakPolarHBondContact CA-O 3.4Å; G767-K770 PolarHBondContact N-O 2.57Å; K770-F772 HydrophobicContact CB-CE2 4.06Å |
| 771 | I | 91.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.1 | 164.7 | -176.3 | 159.7 | 0 | 0 | 0 | 110.4 | R721 I722 F724 F727 V750 I754 F764 I766 F773 | R721-I771 CarbonylContact C-O 3.56Å; R721-I771 VanDerWaalsContact CA-O 3.29Å; R721-I771 WeakPolarHBondContact CA-O 3.37Å; I722-I771 HydrophobicContact CB-CG2 4.18Å; I722-I771 PolarHBondContact N-O 3.36Å; I722-I771 VanDerWaalsContact O-CG2 3.31Å; I722-I771 WeakPolarHBondContact O-CG2 3.47Å; I722-I771 PolarHBondContact O-N 2.84Å; F724-I771 HydrophobicContact CD1-CB 4.36Å; F724-I771 HydrophobicContact CE1-CB 4.13Å; F727-I771 HydrophobicContact CB-CG2 4.15Å; F727-I771 HydrophobicContact CD2-CG2 3.89Å; F727-I771 HydrophobicContact CG-CG2 4.04Å; V750-I771 HydrophobicContact CG1-CB 4.43Å; V750-I771 HydrophobicContact CG1-CD1 3.82Å; I754-I771 HydrophobicContact CD1-CD1 3.03Å; I754-I771 HydrophobicContact CD1-CG1 4.47Å; I754-I771 HydrophobicContact CG1-CD1 4.23Å; F764-I771 HydrophobicContact CB-CD1 4.34Å; F764-I771 HydrophobicContact CB-CG1 4.49Å; F764-I771 HydrophobicContact CD2-CD1 4.11Å; F764-I771 HydrophobicContact CG-CD1 4.47Å; I766-I771 HydrophobicContact CG1-CD1 4.17Å; I771-F773 HydrophobicContact CB-CE2 4.24Å; I771-F773 HydrophobicContact CD1-CE1 4.03Å; I771-F773 HydrophobicContact CD1-CE2 4Å; I771-F773 HydrophobicContact CD1-CZ 3.47Å; I771-F773 VanDerWaalsContact CD1-CZ 3.47Å; I771-F773 HydrophobicContact CG1-CD2 4.34Å; I771-F773 HydrophobicContact CG1-CE1 4.33Å; I771-F773 HydrophobicContact CG1-CE2 3.75Å; I771-F773 HydrophobicContact CG1-CZ 3.73Å; I771-F773 HydrophobicContact CG2-CD2 4.42Å; I771-F773 HydrophobicContact CG2-CE2 3.55Å; I771-F773 HydrophobicContact CG2-CZ 4.09Å |
| 772 | F | 90.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.8 | -177.7 | -72.1 | -93.2 | 0 | 0 | 0 | 110 | E509 Y510 E513 I515 F718 N720 R721 F764 R765 K770 | E509-F772 HydrophobicContact CG-CE1 4.25Å; E509-F772 HydrophobicContact CG-CZ 4.04Å; Y510-F772 AromaticContact CD1-CD1 3.92Å; Y510-F772 HydrophobicContact CD1-CD1 3.92Å; Y510-F772 AromaticContact CD1-CE1 3.62Å; Y510-F772 HydrophobicContact CD1-CE1 3.62Å; Y510-F772 HydrophobicContact CD1-CZ 4.24Å; Y510-F772 AromaticContact CE1-CD1 3.62Å; Y510-F772 HydrophobicContact CE1-CD1 3.62Å; Y510-F772 AromaticContact CE1-CE1 3.61Å; Y510-F772 HydrophobicContact CE1-CE1 3.61Å; E513-F772 HydrophobicContact CB-CE2 3.55Å; E513-F772 HydrophobicContact CB-CZ 3.85Å; E513-F772 HydrophobicContact CG-CE2 3.63Å; E513-F772 HydrophobicContact CG-CZ 3.66Å; I515-F772 HydrophobicContact CD1-CG 4.36Å; I515-F772 HydrophobicContact CG2-CD2 3.73Å; I515-F772 HydrophobicContact CG2-CE2 3.93Å; F718-F772 HydrophobicContact CB-CB 3.6Å; F718-F772 HydrophobicContact CB-CD1 4.24Å; F718-F772 HydrophobicContact CB-CG 4.39Å; F718-F772 HydrophobicContact CG-CB 4.07Å; N720-F772 CarbonylContact O-C 3.5Å; N720-F772 VanDerWaalsContact O-CA 3.32Å; N720-F772 WeakPolarHBondContact O-CA 3.11Å; R721-F772 HydrophobicContact CB-CD1 3.88Å; R721-F772 HydrophobicContact CB-CE1 3.84Å; R721-F772 HydrophobicContact CB-CZ 4.43Å; F764-F772 CarbonylContact C-O 3.49Å; F764-F772 WeakPolarHBondContact CA-O 3.05Å; F764-F772 WeakPolarHBondContact CB-O 2.97Å; R765-F772 HydrophobicContact CB-CB 4.21Å; R765-F772 PolarHBondContact N-O 3.16Å; R765-F772 WeakPolarHBondContact O-CB 3.36Å; R765-F772 PolarHBondContact O-N 2.95Å; K770-F772 HydrophobicContact CB-CE2 4.06Å |
| 773 | F | 84.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.4 | -177.5 | -68.8 | -77.2 | 0 | 0 | 0 | 111.7 | F718 N720 F727 I754 L759 L763 F764 I771 V777 L778 L781 | F718-F773 CarbonylContact C-O 3.53Å; F718-F773 VanDerWaalsContact C-O 3.27Å; F718-F773 VanDerWaalsContact CA-O 3.28Å; F718-F773 WeakPolarHBondContact CA-O 3.29Å; N720-F773 HydrophobicContact CB-CB 3.88Å; N720-F773 PolarHBondContact N-O 2.75Å; N720-F773 PolarHBondContact O-N 2.84Å; F727-F773 AromaticContact CD2-CE2 3.82Å; F727-F773 HydrophobicContact CD2-CE2 3.82Å; F727-F773 AromaticContact CD2-CZ 3.95Å; F727-F773 HydrophobicContact CD2-CZ 3.95Å; F727-F773 HydrophobicContact CE2-CE1 4.44Å; F727-F773 AromaticContact CE2-CE2 3.59Å; F727-F773 HydrophobicContact CE2-CE2 3.59Å; F727-F773 AromaticContact CE2-CZ 3.29Å; F727-F773 HydrophobicContact CE2-CZ 3.29Å; F727-F773 AromaticContact CZ-CZ 3.88Å; F727-F773 HydrophobicContact CZ-CZ 3.88Å; I754-F773 HydrophobicContact CD1-CE1 4.43Å; I754-F773 HydrophobicContact CD1-CZ 4.42Å; L759-F773 HydrophobicContact CD1-CE1 4.07Å; L763-F773 WeakPolarHBondContact O-CA 3.01Å; F764-F773 HydrophobicContact CB-CD1 3.69Å; F764-F773 HydrophobicContact CB-CE1 3.74Å; I771-F773 HydrophobicContact CB-CE2 4.24Å; I771-F773 HydrophobicContact CD1-CE1 4.03Å; I771-F773 HydrophobicContact CD1-CE2 4Å; I771-F773 HydrophobicContact CD1-CZ 3.47Å; I771-F773 VanDerWaalsContact CD1-CZ 3.47Å; I771-F773 HydrophobicContact CG1-CD2 4.34Å; I771-F773 HydrophobicContact CG1-CE1 4.33Å; I771-F773 HydrophobicContact CG1-CE2 3.75Å; I771-F773 HydrophobicContact CG1-CZ 3.73Å; I771-F773 HydrophobicContact CG2-CD2 4.42Å; I771-F773 HydrophobicContact CG2-CE2 3.55Å; I771-F773 HydrophobicContact CG2-CZ 4.09Å; F773-V777 HydrophobicContact CB-CB 4.32Å; F773-V777 HydrophobicContact CD1-CB 4.22Å; F773-V777 HydrophobicContact CD1-CG1 3.68Å; F773-V777 HydrophobicContact CE1-CG1 4.22Å; F773-V777 HydrophobicContact CG-CG1 4.47Å; F773-L778 HydrophobicContact CB-CG 4.28Å; F773-L778 HydrophobicContact CD2-CD2 3.46Å; F773-L778 VanDerWaalsContact CD2-CD2 3.46Å; F773-L778 HydrophobicContact CD2-CG 4Å; F773-L778 HydrophobicContact CE2-CD2 3.68Å; F773-L778 HydrophobicContact CG-CD2 4.01Å; F773-L778 HydrophobicContact CG-CG 4.27Å; F773-L778 HydrophobicContact CZ-CD2 4.42Å; F773-L781 HydrophobicContact CE1-CD1 4.39Å; F773-L781 HydrophobicContact CZ-CD1 4.39Å |
| 774 | R | 79.5 | Confident | 82.1 | Confident | 40 Ų | 40 | 40 Ų | 40 | 15% | 0.151 | 22% | 0.218 | C | C | . | . | trans | -64.1 | 160 | 165.8 | -63.4 | -67.7 | -173.5 | 175.2 | -5 | 110.7 | R715 Q716 G717 F718 N720 N762 L763 V777 | R715-R774 PolarHBondContact O-NH1 2.65Å; Q716-R774 PolarHBondContact O-NH1 3.35Å; Q716-R774 PolarHBondContact O-NH2 2.96Å; G717-R774 WeakPolarHBondContact O-CD 2.98Å; G717-R774 PolarHBondContact O-NH1 3.35Å; F718-R774 HydrophobicContact CD1-CG 4.11Å; F718-R774 HydrophobicContact CE1-CG 4.08Å; N720-R774 PolarHBondContact ND2-O 2.68Å; N762-R774 PolarHBondContact O-NE 2.52Å; L763-R774 WeakPolarHBondContact O-CG 3.27Å; L763-R774 PolarHBondContact O-N 2.79Å; R774-V777 HydrophobicContact CB-CG2 4Å | ||
| 775 | A | 66 | Low | 82 | Confident | 59 Ų | 59 | 41.6 Ų | 41.6 | 49% | 0.488 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 141.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P719 V777 | P719-A775 HydrophobicContact CG-CB 4.19Å; A775-V777 VanDerWaalsContact C-N 3.34Å; A775-V777 PolarHBondContact O-N 3.47Å |
| 776 | G | 66.5 | Low | 81.7 | Confident | 51 Ų | 51 | 41.9 Ų | 41.9 | 53% | 0.526 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -30.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | L778 A779 Q780 | G776-L778 PolarHBondContact O-N 3.4Å; G776-A779 WeakPolarHBondContact O-CB 3.44Å; G776-A779 PolarHBondContact O-N 3.23Å; G776-A779 VanDerWaalsContact O-N 3.1Å; G776-Q780 PolarHBondContact O-N 3.31Å |
| 777 | V | 77.1 | Confident | 81.4 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | -174.8 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | L759 L763 F773 R774 A775 A779 Q780 L781 | L759-V777 HydrophobicContact CD2-CG1 4.42Å; L763-V777 HydrophobicContact CB-CG2 4.03Å; L763-V777 HydrophobicContact CD2-CG2 4.19Å; F773-V777 HydrophobicContact CB-CB 4.32Å; F773-V777 HydrophobicContact CD1-CB 4.22Å; F773-V777 HydrophobicContact CD1-CG1 3.68Å; F773-V777 HydrophobicContact CE1-CG1 4.22Å; F773-V777 HydrophobicContact CG-CG1 4.47Å; R774-V777 HydrophobicContact CB-CG2 4Å; A775-V777 VanDerWaalsContact C-N 3.34Å; A775-V777 PolarHBondContact O-N 3.47Å; V777-A779 PolarHBondContact O-N 3.41Å; V777-Q780 PolarHBondContact O-N 2.89Å; V777-L781 HydrophobicContact CG1-CD1 4.47Å; V777-L781 PolarHBondContact O-N 2.92Å; V777-L781 VanDerWaalsContact O-N 3.12Å |
| 778 | L | 74.7 | Confident | 81.1 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -30.7 | 177 | -72 | -173.8 | 0 | 0 | 0 | 113.1 | N720 I722 F773 G776 L781 E782 | N720-L778 HydrophobicContact CB-CD1 3.57Å; N720-L778 HydrophobicContact CB-CG 4.1Å; I722-L778 HydrophobicContact CD1-CD1 3.69Å; I722-L778 HydrophobicContact CD1-CD2 3.45Å; I722-L778 VanDerWaalsContact CD1-CD2 3.45Å; I722-L778 HydrophobicContact CD1-CG 4.23Å; I722-L778 HydrophobicContact CG1-CD1 4.1Å; I722-L778 HydrophobicContact CG1-CD2 4.39Å; F773-L778 HydrophobicContact CB-CG 4.28Å; F773-L778 HydrophobicContact CD2-CD2 3.46Å; F773-L778 VanDerWaalsContact CD2-CD2 3.46Å; F773-L778 HydrophobicContact CD2-CG 4Å; F773-L778 HydrophobicContact CE2-CD2 3.68Å; F773-L778 HydrophobicContact CG-CD2 4.01Å; F773-L778 HydrophobicContact CG-CG 4.27Å; F773-L778 HydrophobicContact CZ-CD2 4.42Å; G776-L778 PolarHBondContact O-N 3.4Å; L778-L781 HydrophobicContact CD2-CD1 4.37Å; L778-L781 PolarHBondContact O-N 3.2Å; L778-E782 VanDerWaalsContact O-CB 3.27Å; L778-E782 WeakPolarHBondContact O-CB 3.25Å; L778-E782 VanDerWaalsContact O-CG 3.28Å; L778-E782 WeakPolarHBondContact O-CG 3.31Å; L778-E782 PolarHBondContact O-N 3.11Å |
| 779 | A | 67.1 | Low | 81 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G776 V777 E782 E783 | G776-A779 WeakPolarHBondContact O-CB 3.44Å; G776-A779 PolarHBondContact O-N 3.23Å; G776-A779 VanDerWaalsContact O-N 3.1Å; V777-A779 PolarHBondContact O-N 3.41Å; A779-E782 PolarHBondContact O-N 2.63Å; A779-E783 WeakPolarHBondContact O-CB 3.4Å; A779-E783 PolarHBondContact O-N 3.46Å |
| 780 | Q | 74.7 | Confident | 81 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.5 | -175.8 | -178.8 | -9.2 | 0 | 0 | 111.7 | G776 V777 E782 E783 E784 | G776-Q780 PolarHBondContact O-N 3.31Å; V777-Q780 PolarHBondContact O-N 2.89Å; Q780-E782 VanDerWaalsContact C-N 3.28Å; Q780-E782 PolarHBondContact O-N 2.67Å; Q780-E783 PolarHBondContact O-N 3.11Å; Q780-E784 PolarHBondContact NE2-OE1 3.35Å; Q780-E784 WeakPolarHBondContact O-CG 3.35Å; Q780-E784 PolarHBondContact O-N 2.83Å |
| 781 | L | 82.7 | Confident | 80.6 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 177.6 | -70.2 | 175.8 | 0 | 0 | 0 | 112.4 | F727 Y731 L734 L757 L759 F773 V777 L778 R785 | F727-L781 HydrophobicContact CE2-CD1 4.08Å; F727-L781 HydrophobicContact CZ-CD1 4.33Å; Y731-L781 HydrophobicContact CD1-CB 4.08Å; Y731-L781 HydrophobicContact CE1-CB 3.72Å; L734-L781 HydrophobicContact CD1-CD2 4.27Å; L757-L781 HydrophobicContact CD1-CD2 4.08Å; L757-L781 HydrophobicContact CD2-CD2 4.3Å; L759-L781 HydrophobicContact CD1-CD1 4.2Å; L759-L781 HydrophobicContact CD1-CD2 4.45Å; F773-L781 HydrophobicContact CE1-CD1 4.39Å; F773-L781 HydrophobicContact CZ-CD1 4.39Å; V777-L781 HydrophobicContact CG1-CD1 4.47Å; V777-L781 PolarHBondContact O-N 2.92Å; V777-L781 VanDerWaalsContact O-N 3.12Å; L778-L781 HydrophobicContact CD2-CD1 4.37Å; L778-L781 PolarHBondContact O-N 3.2Å; L781-R785 VanDerWaalsContact O-CB 3.24Å; L781-R785 WeakPolarHBondContact O-CB 3.22Å; L781-R785 PolarHBondContact O-N 2.65Å |
| 782 | E | 78.6 | Confident | 80.4 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 174.8 | -80.8 | -78.1 | 123.1 | 0 | 0 | 112.6 | K149 R730 Y731 L778 A779 Q780 R785 D786 | K149-E782 IonicContact NZ-OE2 3.79Å; K149-E782 PolarHBondContact NZ-OE2 3.34Å; R730-E782 IonicContact CZ-OE1 2.94Å; R730-E782 IonicContact NE-OE1 2.81Å; R730-E782 PolarHBondContact NE-OE1 2.93Å; R730-E782 VanDerWaalsContact NH2-CD 3.34Å; R730-E782 IonicContact NH2-OE1 3.3Å; R730-E782 PolarHBondContact NH2-OE1 2.63Å; R730-E782 IonicContact NH2-OE2 3.89Å; R730-E782 PolarHBondContact NH2-OE2 2.93Å; R730-E782 VanDerWaalsContact NH2-OE2 3.11Å; Y731-E782 HydrophobicContact CE1-CG 4.26Å; Y731-E782 PolarHBondContact OH-OE1 3.11Å; L778-E782 VanDerWaalsContact O-CB 3.27Å; L778-E782 WeakPolarHBondContact O-CB 3.25Å; L778-E782 VanDerWaalsContact O-CG 3.28Å; L778-E782 WeakPolarHBondContact O-CG 3.31Å; L778-E782 PolarHBondContact O-N 3.11Å; A779-E782 PolarHBondContact O-N 2.63Å; Q780-E782 VanDerWaalsContact C-N 3.28Å; Q780-E782 PolarHBondContact O-N 2.67Å; E782-R785 WeakPolarHBondContact O-CB 3.44Å; E782-R785 PolarHBondContact O-N 2.89Å; E782-R785 IonicContact OE1-NH1 2.83Å; E782-R785 PolarHBondContact OE1-NH1 2.85Å; E782-R785 IonicContact OE2-NH1 3.72Å; E782-D786 WeakPolarHBondContact O-CB 3.49Å; E782-D786 PolarHBondContact O-N 3.47Å |
| 783 | E | 77 | Confident | 80.3 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 175.5 | -172 | 175.5 | -173.3 | 0 | 0 | 110.9 | A779 Q780 R785 D786 L787 | A779-E783 WeakPolarHBondContact O-CB 3.4Å; A779-E783 PolarHBondContact O-N 3.46Å; Q780-E783 PolarHBondContact O-N 3.11Å; E783-R785 VanDerWaalsContact C-N 3.31Å; E783-R785 PolarHBondContact O-N 2.87Å; E783-D786 PolarHBondContact O-N 2.93Å; E783-L787 WeakPolarHBondContact O-CB 2.63Å; E783-L787 VanDerWaalsContact O-CG 3.27Å; E783-L787 WeakPolarHBondContact O-CG 3.05Å; E783-L787 PolarHBondContact O-N 3.21Å |
| 784 | E | 81.2 | Confident | 80.7 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 174.5 | -71.9 | -179.7 | -162.8 | 0 | 0 | 112 | L734 Q780 R788 | L734-E784 HydrophobicContact CD1-CB 4.43Å; L734-E784 HydrophobicContact CD2-CB 4.14Å; Q780-E784 PolarHBondContact NE2-OE1 3.35Å; Q780-E784 WeakPolarHBondContact O-CG 3.35Å; Q780-E784 PolarHBondContact O-N 2.83Å; E784-R788 WeakPolarHBondContact O-CG 2.85Å; E784-R788 PolarHBondContact O-N 3.4Å |
| 785 | R | 87.5 | Confident | 81.2 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 21% | 0.211 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 175.8 | 178 | -175.5 | 175.6 | -119.6 | -7.8 | 111.7 | R730 I733 L734 L781 E782 E783 L787 R788 L789 | R730-R785 WeakPolarHBondContact O-CD 2.79Å; R730-R785 PolarHBondContact O-NE 2.83Å; I733-R785 HydrophobicContact CG2-CG 3.97Å; L734-R785 HydrophobicContact CD1-CB 4.45Å; L734-R785 HydrophobicContact CD2-CB 4.3Å; L781-R785 VanDerWaalsContact O-CB 3.24Å; L781-R785 WeakPolarHBondContact O-CB 3.22Å; L781-R785 PolarHBondContact O-N 2.65Å; E782-R785 WeakPolarHBondContact O-CB 3.44Å; E782-R785 PolarHBondContact O-N 2.89Å; E782-R785 IonicContact OE1-NH1 2.83Å; E782-R785 PolarHBondContact OE1-NH1 2.85Å; E782-R785 IonicContact OE2-NH1 3.72Å; E783-R785 VanDerWaalsContact C-N 3.31Å; E783-R785 PolarHBondContact O-N 2.87Å; R785-L787 VanDerWaalsContact C-N 3.31Å; R785-L787 PolarHBondContact O-N 3.06Å; R785-R788 PolarHBondContact O-N 3.23Å; R785-R788 VanDerWaalsContact O-N 3.12Å; R785-L789 HydrophobicContact CG-CD1 3.93Å; R785-L789 HydrophobicContact CG-CG 4.46Å; R785-L789 WeakPolarHBondContact O-CG 3.13Å; R785-L789 PolarHBondContact O-N 2.65Å |
| 786 | D | 84.1 | Confident | 82.5 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | -180 | -74 | -23 | 0 | 0 | 0 | 110.4 | K149 E782 E783 R788 L789 T790 | K149-D786 IonicContact NZ-OD2 2.67Å; K149-D786 PolarHBondContact NZ-OD2 2.8Å; E782-D786 WeakPolarHBondContact O-CB 3.49Å; E782-D786 PolarHBondContact O-N 3.47Å; E783-D786 PolarHBondContact O-N 2.93Å; D786-R788 VanDerWaalsContact C-N 3.34Å; D786-R788 PolarHBondContact O-N 3.36Å; D786-L789 PolarHBondContact O-N 2.94Å; D786-T790 PolarHBondContact O-N 2.6Å; D786-T790 PolarHBondContact O-OG1 2.79Å |
| 787 | L | 83.9 | Confident | 83.6 | Confident | 108 Ų | 108 | 73 Ų | 73 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 172.5 | -73.1 | 170.3 | 0 | 0 | 0 | 112.2 | E783 R785 | E783-L787 WeakPolarHBondContact O-CB 2.63Å; E783-L787 VanDerWaalsContact O-CG 3.27Å; E783-L787 WeakPolarHBondContact O-CG 3.05Å; E783-L787 PolarHBondContact O-N 3.21Å; R785-L787 VanDerWaalsContact C-N 3.31Å; R785-L787 PolarHBondContact O-N 3.06Å |
| 788 | R | 85.4 | Confident | 84.3 | Confident | 152 Ų | 152 | 75.2 Ų | 75.2 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.9 | -35.4 | 176.1 | -67.4 | -62.5 | -172.1 | 160.2 | 5.4 | 113.2 | I733 L734 E784 R785 D786 | I733-R788 HydrophobicContact CD1-CB 4.42Å; L734-R788 HydrophobicContact CD2-CG 4Å; E784-R788 WeakPolarHBondContact O-CG 2.85Å; E784-R788 PolarHBondContact O-N 3.4Å; R785-R788 PolarHBondContact O-N 3.23Å; R785-R788 VanDerWaalsContact O-N 3.12Å; D786-R788 VanDerWaalsContact C-N 3.34Å; D786-R788 PolarHBondContact O-N 3.36Å |
| 789 | L | 88.1 | Confident | 85.2 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 19% | 0.194 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -77.7 | -22.8 | 179.7 | -72.5 | 173.8 | 0 | 0 | 0 | 113.3 | I733 R785 D786 D791 L792 I793 | I733-L789 HydrophobicContact CD1-CD2 3.38Å; I733-L789 HydrophobicContact CD1-CG 3.95Å; R785-L789 HydrophobicContact CG-CD1 3.93Å; R785-L789 HydrophobicContact CG-CG 4.46Å; R785-L789 WeakPolarHBondContact O-CG 3.13Å; R785-L789 PolarHBondContact O-N 2.65Å; D786-L789 PolarHBondContact O-N 2.94Å; L789-D791 VanDerWaalsContact C-N 3.3Å; L789-D791 PolarHBondContact O-N 2.52Å; L789-L792 HydrophobicContact CD2-CD1 4.36Å; L789-L792 PolarHBondContact O-N 3.07Å; L789-I793 HydrophobicContact CB-CD1 3.91Å; L789-I793 HydrophobicContact CB-CG1 4.42Å; L789-I793 WeakPolarHBondContact O-CG1 3.39Å; L789-I793 PolarHBondContact O-N 2.81Å |
| 790 | T | 88.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 37% | 0.368 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -52.7 | -44.8 | -173.7 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | D786 L792 I793 I794 | D786-T790 PolarHBondContact O-N 2.6Å; D786-T790 PolarHBondContact O-OG1 2.79Å; T790-L792 PolarHBondContact O-N 3.38Å; T790-I793 PolarHBondContact O-N 2.91Å; T790-I794 HydrophobicContact CG2-CD1 3.7Å; T790-I794 HydrophobicContact CG2-CG1 4.38Å; T790-I794 VanDerWaalsContact O-CG1 3.29Å; T790-I794 WeakPolarHBondContact O-CG1 2.86Å; T790-I794 PolarHBondContact O-N 2.64Å |
| 791 | D | 83.2 | Confident | 87.2 | Confident | 117 Ų | 117 | 85 Ų | 85 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 179.4 | -67.8 | -20.7 | 0 | 0 | 0 | 112.5 | L789 N795 | L789-D791 VanDerWaalsContact C-N 3.3Å; L789-D791 PolarHBondContact O-N 2.52Å; D791-N795 PolarHBondContact O-N 3.19Å; D791-N795 PolarHBondContact O-ND2 2.99Å; D791-N795 VanDerWaalsContact O-ND2 3.11Å |
| 792 | L | 88.4 | Confident | 87.7 | Confident | 110 Ų | 110 | 85.8 Ų | 85.8 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | 176.3 | -67.7 | 174.2 | 0 | 0 | 0 | 111.3 | L789 T790 N795 F796 | L789-L792 HydrophobicContact CD2-CD1 4.36Å; L789-L792 PolarHBondContact O-N 3.07Å; T790-L792 PolarHBondContact O-N 3.38Å; L792-N795 PolarHBondContact O-N 3.05Å; L792-F796 WeakPolarHBondContact O-CB 3.23Å; L792-F796 PolarHBondContact O-N 2.91Å |
| 793 | I | 88.9 | Confident | 88.4 | Confident | 76 Ų | 76 | 89 Ų | 89 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 179.3 | -69.4 | 169.7 | 0 | 0 | 0 | 110.4 | L789 T790 N795 F796 Q797 | L789-I793 HydrophobicContact CB-CD1 3.91Å; L789-I793 HydrophobicContact CB-CG1 4.42Å; L789-I793 WeakPolarHBondContact O-CG1 3.39Å; L789-I793 PolarHBondContact O-N 2.81Å; T790-I793 PolarHBondContact O-N 2.91Å; I793-N795 VanDerWaalsContact C-N 3.35Å; I793-N795 PolarHBondContact O-N 3.12Å; I793-F796 PolarHBondContact O-N 2.87Å; I793-Q797 HydrophobicContact CG2-CG 4.18Å; I793-Q797 VanDerWaalsContact O-CB 3.32Å; I793-Q797 WeakPolarHBondContact O-CB 3.38Å; I793-Q797 VanDerWaalsContact O-CG 3.22Å; I793-Q797 WeakPolarHBondContact O-CG 3.24Å; I793-Q797 PolarHBondContact O-N 3.44Å |
| 794 | I | 91 | Very high | 89.1 | Confident | 92 Ų | 92 | 88.8 Ų | 88.8 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 179.1 | -69.8 | 168.9 | 0 | 0 | 0 | 110.6 | T790 Q797 A798 | T790-I794 HydrophobicContact CG2-CD1 3.7Å; T790-I794 HydrophobicContact CG2-CG1 4.38Å; T790-I794 VanDerWaalsContact O-CG1 3.29Å; T790-I794 WeakPolarHBondContact O-CG1 2.86Å; T790-I794 PolarHBondContact O-N 2.64Å; I794-Q797 PolarHBondContact O-N 3.06Å; I794-A798 WeakPolarHBondContact O-CB 3.37Å; I794-A798 PolarHBondContact O-N 3.45Å |
| 795 | N | 91.3 | Very high | 89.6 | Confident | 101 Ų | 101 | 87.8 Ų | 87.8 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.2 | -76.2 | -32.8 | 0 | 0 | 0 | 112.3 | D791 L792 I793 A798 N799 | D791-N795 PolarHBondContact O-N 3.19Å; D791-N795 PolarHBondContact O-ND2 2.99Å; D791-N795 VanDerWaalsContact O-ND2 3.11Å; L792-N795 PolarHBondContact O-N 3.05Å; I793-N795 VanDerWaalsContact C-N 3.35Å; I793-N795 PolarHBondContact O-N 3.12Å; N795-A798 PolarHBondContact O-N 3.43Å; N795-N799 PolarHBondContact O-N 3.41Å; N795-N799 PolarHBondContact O-ND2 3.19Å |
| 796 | F | 92.1 | Very high | 89.9 | Confident | 141 Ų | 141 | 93.4 Ų | 93.4 | 62% | 0.618 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.3 | -47.1 | 175.1 | 177 | -105.4 | 0 | 0 | 0 | 111.8 | L792 I793 A798 N799 C800 | L792-F796 WeakPolarHBondContact O-CB 3.23Å; L792-F796 PolarHBondContact O-N 2.91Å; I793-F796 PolarHBondContact O-N 2.87Å; F796-A798 VanDerWaalsContact C-N 3.32Å; F796-A798 PolarHBondContact O-N 2.81Å; F796-N799 WeakPolarHBondContact O-CB 3.47Å; F796-N799 PolarHBondContact O-N 3.16Å; F796-N799 VanDerWaalsContact O-N 3.16Å; F796-C800 VanDerWaalsContact CE1-SG 3.58Å; F796-C800 WeakPolarHBondContact CZ-SG 3.31Å; F796-C800 PolarHBondContact O-N 2.88Å; F796-C800 PolarHBondContact O-SG 3.39Å; F796-C800 VanDerWaalsContact O-SG 3.37Å |
| 797 | Q | 90.1 | Very high | 90.2 | Very high | 82 Ų | 82 | 98 Ų | 98 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 177.1 | -75.9 | 179.7 | 1.9 | 0 | 0 | 112 | I793 I794 C800 R801 | I793-Q797 HydrophobicContact CG2-CG 4.18Å; I793-Q797 VanDerWaalsContact O-CB 3.32Å; I793-Q797 WeakPolarHBondContact O-CB 3.38Å; I793-Q797 VanDerWaalsContact O-CG 3.22Å; I793-Q797 WeakPolarHBondContact O-CG 3.24Å; I793-Q797 PolarHBondContact O-N 3.44Å; I794-Q797 PolarHBondContact O-N 3.06Å; Q797-C800 PolarHBondContact O-N 3.38Å; Q797-R801 WeakPolarHBondContact O-CB 3.39Å; Q797-R801 VanDerWaalsContact O-CG 3.24Å; Q797-R801 WeakPolarHBondContact O-CG 3.22Å; Q797-R801 PolarHBondContact O-N 2.7Å |
| 798 | A | 92.5 | Very high | 90.5 | Very high | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I794 N795 F796 R801 G802 | I794-A798 WeakPolarHBondContact O-CB 3.37Å; I794-A798 PolarHBondContact O-N 3.45Å; N795-A798 PolarHBondContact O-N 3.43Å; F796-A798 VanDerWaalsContact C-N 3.32Å; F796-A798 PolarHBondContact O-N 2.81Å; A798-R801 PolarHBondContact O-N 3.08Å; A798-G802 PolarHBondContact O-N 3.48Å |
| 799 | N | 93.7 | Very high | 90.9 | Very high | 117 Ų | 117 | 97.4 Ų | 97.4 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 176.2 | -74.9 | -28.3 | 0 | 0 | 0 | 112.5 | N795 F796 G802 L803 | N795-N799 PolarHBondContact O-N 3.41Å; N795-N799 PolarHBondContact O-ND2 3.19Å; F796-N799 WeakPolarHBondContact O-CB 3.47Å; F796-N799 PolarHBondContact O-N 3.16Å; F796-N799 VanDerWaalsContact O-N 3.16Å; N799-G802 PolarHBondContact O-N 3.19Å; N799-L803 WeakPolarHBondContact O-CB 3.12Å; N799-L803 PolarHBondContact O-N 2.83Å |
| 800 | C | 91.9 | Very high | 91 | Very high | 45 Ų | 45 | 101.7 Ų | 101.7 | 30% | 0.304 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.9 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | F796 Q797 G802 L803 L804 | F796-C800 VanDerWaalsContact CE1-SG 3.58Å; F796-C800 WeakPolarHBondContact CZ-SG 3.31Å; F796-C800 PolarHBondContact O-N 2.88Å; F796-C800 PolarHBondContact O-SG 3.39Å; F796-C800 VanDerWaalsContact O-SG 3.37Å; Q797-C800 PolarHBondContact O-N 3.38Å; C800-G802 VanDerWaalsContact C-N 3.3Å; C800-G802 PolarHBondContact O-N 2.63Å; C800-L803 PolarHBondContact O-N 3.43Å; C800-L804 WeakPolarHBondContact O-CB 3.26Å; C800-L804 WeakPolarHBondContact O-CG 3.4Å; C800-L804 PolarHBondContact O-N 3.07Å |
| 801 | R | 92.1 | Very high | 91.1 | Very high | 176 Ų | 176 | 105 Ų | 105 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -42.3 | 174.7 | -74.3 | 176.3 | -173.1 | 175.2 | 6.2 | 110.7 | Q797 A798 A805 | Q797-R801 WeakPolarHBondContact O-CB 3.39Å; Q797-R801 VanDerWaalsContact O-CG 3.24Å; Q797-R801 WeakPolarHBondContact O-CG 3.22Å; Q797-R801 PolarHBondContact O-N 2.7Å; A798-R801 PolarHBondContact O-N 3.08Å; R801-A805 WeakPolarHBondContact O-CB 3.44Å; R801-A805 PolarHBondContact O-N 3.47Å |
| 802 | G | 93.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 108.1 Ų | 108.1 | 23% | 0.227 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A798 N799 C800 A805 R806 | A798-G802 PolarHBondContact O-N 3.48Å; N799-G802 PolarHBondContact O-N 3.19Å; C800-G802 VanDerWaalsContact C-N 3.3Å; C800-G802 PolarHBondContact O-N 2.63Å; G802-A805 PolarHBondContact O-N 2.63Å; G802-R806 WeakPolarHBondContact O-CG 3.5Å; G802-R806 PolarHBondContact O-N 2.76Å |
| 803 | L | 92 | Very high | 91.6 | Very high | 81 Ų | 81 | 105.4 Ų | 105.4 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 178.8 | -176.8 | 144.4 | 0 | 0 | 0 | 112.3 | N799 C800 R806 R807 | N799-L803 WeakPolarHBondContact O-CB 3.12Å; N799-L803 PolarHBondContact O-N 2.83Å; C800-L803 PolarHBondContact O-N 3.43Å; L803-R806 PolarHBondContact O-N 2.71Å; L803-R807 PolarHBondContact O-N 3.28Å |
| 804 | L | 91.4 | Very high | 91.7 | Very high | 99 Ų | 99 | 108.4 Ų | 108.4 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.8 | -75.1 | 172.8 | 0 | 0 | 0 | 111.7 | C800 R806 R807 N808 | C800-L804 WeakPolarHBondContact O-CB 3.26Å; C800-L804 WeakPolarHBondContact O-CG 3.4Å; C800-L804 PolarHBondContact O-N 3.07Å; L804-R806 PolarHBondContact O-N 2.72Å; L804-R807 PolarHBondContact O-N 2.58Å; L804-N808 WeakPolarHBondContact O-CB 3.44Å; L804-N808 PolarHBondContact O-N 3.47Å; L804-N808 PolarHBondContact O-ND2 3.31Å |
| 805 | A | 92 | Very high | 91.7 | Very high | 57 Ų | 57 | 109.8 Ų | 109.8 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R801 G802 N808 Y809 | R801-A805 WeakPolarHBondContact O-CB 3.44Å; R801-A805 PolarHBondContact O-N 3.47Å; G802-A805 PolarHBondContact O-N 2.63Å; A805-N808 PolarHBondContact O-N 2.99Å; A805-Y809 WeakPolarHBondContact O-CB 3.15Å; A805-Y809 PolarHBondContact O-N 2.84Å |
| 806 | R | 93.5 | Very high | 91.8 | Very high | 173 Ų | 173 | 111.5 Ų | 111.5 | 65% | 0.653 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 176.8 | -69.3 | 176.4 | -152.7 | 144.4 | 3.9 | 112.5 | G802 L803 L804 Y809 Q810 | G802-R806 WeakPolarHBondContact O-CG 3.5Å; G802-R806 PolarHBondContact O-N 2.76Å; L803-R806 PolarHBondContact O-N 2.71Å; L804-R806 PolarHBondContact O-N 2.72Å; R806-Y809 WeakPolarHBondContact O-CB 3.31Å; R806-Y809 PolarHBondContact O-N 2.9Å; R806-Q810 WeakPolarHBondContact O-CG 3.32Å; R806-Q810 PolarHBondContact O-N 2.97Å |
| 807 | R | 90.4 | Very high | 91.8 | Very high | 156 Ų | 156 | 108.8 Ų | 108.8 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | 175.9 | -77.6 | -175.9 | 173.2 | 173.8 | -0.8 | 112 | L803 L804 Y809 Q810 K811 | L803-R807 PolarHBondContact O-N 3.28Å; L804-R807 PolarHBondContact O-N 2.58Å; R807-Y809 VanDerWaalsContact C-N 3.31Å; R807-Y809 PolarHBondContact O-N 3.42Å; R807-Q810 PolarHBondContact O-N 2.7Å; R807-K811 PolarHBondContact O-N 3.27Å |
| 808 | N | 91.3 | Very high | 91.8 | Very high | 87 Ų | 87 | 107.2 Ų | 107.2 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 177 | -74.9 | -20.7 | 0 | 0 | 0 | 111.9 | L804 A805 K811 R812 | L804-N808 WeakPolarHBondContact O-CB 3.44Å; L804-N808 PolarHBondContact O-N 3.47Å; L804-N808 PolarHBondContact O-ND2 3.31Å; A805-N808 PolarHBondContact O-N 2.99Å; N808-K811 PolarHBondContact O-N 3.46Å; N808-R812 WeakPolarHBondContact O-CB 2.88Å; N808-R812 WeakPolarHBondContact O-CG 3.46Å; N808-R812 PolarHBondContact O-N 3.47Å |
| 809 | Y | 92.3 | Very high | 91.9 | Very high | 159 Ų | 159 | 108.4 Ų | 108.4 | 62% | 0.624 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -47.2 | 173.7 | 177.6 | -99.7 | 0 | 0 | 0 | 111.7 | A805 R806 R807 K811 R812 V813 | A805-Y809 WeakPolarHBondContact O-CB 3.15Å; A805-Y809 PolarHBondContact O-N 2.84Å; R806-Y809 WeakPolarHBondContact O-CB 3.31Å; R806-Y809 PolarHBondContact O-N 2.9Å; R807-Y809 VanDerWaalsContact C-N 3.31Å; R807-Y809 PolarHBondContact O-N 3.42Å; Y809-K811 PolarHBondContact O-N 3.02Å; Y809-R812 CarbonylContact O-C 3.58Å; Y809-R812 WeakPolarHBondContact O-CA 3.24Å; Y809-R812 WeakPolarHBondContact O-CB 3.27Å; Y809-R812 PolarHBondContact O-N 2.91Å; Y809-R812 VanDerWaalsContact O-N 3.09Å; Y809-V813 HydrophobicContact CD1-CG2 4.15Å; Y809-V813 HydrophobicContact CE1-CG2 3.74Å; Y809-V813 HydrophobicContact CE2-CG2 4.22Å; Y809-V813 WeakPolarHBondContact O-CG2 3.1Å; Y809-V813 PolarHBondContact O-N 3.21Å |
| 810 | Q | 91 | Very high | 91.8 | Very high | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.4 | -44.9 | 175.3 | -75.3 | 178.9 | -17 | 0 | 0 | 112.3 | R806 R807 R812 V813 Q814 | R806-Q810 WeakPolarHBondContact O-CG 3.32Å; R806-Q810 PolarHBondContact O-N 2.97Å; R807-Q810 PolarHBondContact O-N 2.7Å; Q810-R812 VanDerWaalsContact C-N 3.33Å; Q810-R812 PolarHBondContact O-N 3.2Å; Q810-V813 PolarHBondContact O-N 2.9Å; Q810-Q814 PolarHBondContact O-N 3.45Å |
| 811 | K | 90.4 | Very high | 91.8 | Very high | 130 Ų | 130 | 112 Ų | 112 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.3 | -43.8 | 173 | -74.1 | -176 | 177.9 | -177.7 | 0 | 111.9 | R807 N808 Y809 Q814 Q815 | R807-K811 PolarHBondContact O-N 3.27Å; N808-K811 PolarHBondContact O-N 3.46Å; Y809-K811 PolarHBondContact O-N 3.02Å; K811-Q814 PolarHBondContact O-N 2.82Å; K811-Q815 WeakPolarHBondContact O-CG 3.48Å; K811-Q815 PolarHBondContact O-N 3.29Å |
| 812 | R | 91.2 | Very high | 91.9 | Very high | 181 Ų | 181 | 109.2 Ų | 109.2 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -36.9 | 176.3 | -76.9 | -178.3 | 178.2 | -171.6 | 0.8 | 112.6 | N808 Y809 Q810 Q815 Y816 | N808-R812 WeakPolarHBondContact O-CB 2.88Å; N808-R812 WeakPolarHBondContact O-CG 3.46Å; N808-R812 PolarHBondContact O-N 3.47Å; Y809-R812 CarbonylContact O-C 3.58Å; Y809-R812 WeakPolarHBondContact O-CA 3.24Å; Y809-R812 WeakPolarHBondContact O-CB 3.27Å; Y809-R812 PolarHBondContact O-N 2.91Å; Y809-R812 VanDerWaalsContact O-N 3.09Å; Q810-R812 VanDerWaalsContact C-N 3.33Å; Q810-R812 PolarHBondContact O-N 3.2Å; R812-Q815 PolarHBondContact O-N 2.74Å; R812-Y816 VanDerWaalsContact O-CB 3.26Å; R812-Y816 WeakPolarHBondContact O-CB 3.36Å; R812-Y816 PolarHBondContact O-N 2.7Å |
| 813 | V | 92.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 113.6 Ų | 113.6 | 33% | 0.327 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | Y809 Q810 Y816 N817 | Y809-V813 HydrophobicContact CD1-CG2 4.15Å; Y809-V813 HydrophobicContact CE1-CG2 3.74Å; Y809-V813 HydrophobicContact CE2-CG2 4.22Å; Y809-V813 WeakPolarHBondContact O-CG2 3.1Å; Y809-V813 PolarHBondContact O-N 3.21Å; Q810-V813 PolarHBondContact O-N 2.9Å; V813-Y816 PolarHBondContact O-N 3.4Å; V813-N817 PolarHBondContact O-N 2.73Å; V813-N817 PolarHBondContact O-ND2 3.44Å |
| 814 | Q | 89.6 | Confident | 91.8 | Very high | 138 Ų | 138 | 119.1 Ų | 119.1 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -46.5 | 173.6 | -71.2 | 178 | -6.9 | 0 | 0 | 111.7 | Q810 K811 Y816 N817 A818 | Q810-Q814 PolarHBondContact O-N 3.45Å; K811-Q814 PolarHBondContact O-N 2.82Å; Q814-Y816 VanDerWaalsContact C-N 3.34Å; Q814-Y816 PolarHBondContact O-N 2.78Å; Q814-N817 PolarHBondContact O-N 3.43Å; Q814-A818 WeakPolarHBondContact O-CB 3.48Å; Q814-A818 PolarHBondContact O-N 2.98Å |
| 815 | Q | 91.8 | Very high | 91.9 | Very high | 121 Ų | 121 | 119.3 Ų | 119.3 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.1 | -42.8 | 174.8 | -74 | 175.7 | -13.1 | 0 | 0 | 111.9 | K811 R812 A818 I819 | K811-Q815 WeakPolarHBondContact O-CG 3.48Å; K811-Q815 PolarHBondContact O-N 3.29Å; R812-Q815 PolarHBondContact O-N 2.74Å; Q815-A818 PolarHBondContact O-N 3.07Å; Q815-I819 WeakPolarHBondContact O-CB 3.46Å; Q815-I819 WeakPolarHBondContact O-CD1 3.35Å; Q815-I819 WeakPolarHBondContact O-CG1 3.06Å; Q815-I819 PolarHBondContact O-N 2.83Å |
| 816 | Y | 93.2 | Very high | 92 | Very high | 137 Ų | 137 | 118.1 Ų | 118.1 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.9 | 175.9 | -99.7 | 0 | 0 | 0 | 111.8 | R812 V813 Q814 I819 R820 | R812-Y816 VanDerWaalsContact O-CB 3.26Å; R812-Y816 WeakPolarHBondContact O-CB 3.36Å; R812-Y816 PolarHBondContact O-N 2.7Å; V813-Y816 PolarHBondContact O-N 3.4Å; Q814-Y816 VanDerWaalsContact C-N 3.34Å; Q814-Y816 PolarHBondContact O-N 2.78Å; Y816-I819 PolarHBondContact O-N 3.47Å; Y816-R820 HydrophobicContact CE1-CG 4.13Å; Y816-R820 WeakPolarHBondContact O-CG 3.1Å; Y816-R820 PolarHBondContact O-N 3.49Å |
| 817 | N | 90.9 | Very high | 91.9 | Very high | 84 Ų | 84 | 115.7 Ų | 115.7 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.6 | -71.6 | -23.7 | 0 | 0 | 0 | 111.7 | V813 Q814 R820 V821 | V813-N817 PolarHBondContact O-N 2.73Å; V813-N817 PolarHBondContact O-ND2 3.44Å; Q814-N817 PolarHBondContact O-N 3.43Å; N817-R820 PolarHBondContact O-N 2.87Å; N817-V821 WeakPolarHBondContact O-CG2 3.4Å; N817-V821 PolarHBondContact O-N 2.78Å; N817-V821 VanDerWaalsContact O-N 3.09Å |
| 818 | A | 91.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 110.3 Ų | 110.3 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q814 Q815 R820 V821 I822 | Q814-A818 WeakPolarHBondContact O-CB 3.48Å; Q814-A818 PolarHBondContact O-N 2.98Å; Q815-A818 PolarHBondContact O-N 3.07Å; A818-R820 VanDerWaalsContact C-N 3.33Å; A818-R820 PolarHBondContact O-N 3.05Å; A818-V821 PolarHBondContact O-N 3.43Å; A818-I822 VanDerWaalsContact O-CG1 3.28Å; A818-I822 WeakPolarHBondContact O-CG1 3.42Å; A818-I822 PolarHBondContact O-N 2.99Å |
| 819 | I | 93.4 | Very high | 91.8 | Very high | 83 Ų | 83 | 112.7 Ų | 112.7 | 43% | 0.426 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 175.3 | -71.7 | 164 | 0 | 0 | 0 | 110.5 | Q815 Y816 V821 I822 Q823 | Q815-I819 WeakPolarHBondContact O-CB 3.46Å; Q815-I819 WeakPolarHBondContact O-CD1 3.35Å; Q815-I819 WeakPolarHBondContact O-CG1 3.06Å; Q815-I819 PolarHBondContact O-N 2.83Å; Y816-I819 PolarHBondContact O-N 3.47Å; I819-V821 VanDerWaalsContact C-N 3.34Å; I819-V821 PolarHBondContact O-N 2.95Å; I819-I822 PolarHBondContact O-N 3.42Å; I819-Q823 HydrophobicContact CG2-CG 4.08Å; I819-Q823 VanDerWaalsContact O-CB 3.3Å; I819-Q823 WeakPolarHBondContact O-CB 3.28Å; I819-Q823 VanDerWaalsContact O-CG 3.22Å; I819-Q823 WeakPolarHBondContact O-CG 3.45Å; I819-Q823 PolarHBondContact O-N 3.28Å |
| 820 | R | 92.2 | Very high | 91.6 | Very high | 149 Ų | 149 | 109.5 Ų | 109.5 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 176.4 | -73.6 | -170.5 | 72.3 | -170.3 | 4.1 | 112.6 | Y816 N817 A818 R824 | Y816-R820 HydrophobicContact CE1-CG 4.13Å; Y816-R820 WeakPolarHBondContact O-CG 3.1Å; Y816-R820 PolarHBondContact O-N 3.49Å; N817-R820 PolarHBondContact O-N 2.87Å; A818-R820 VanDerWaalsContact C-N 3.33Å; A818-R820 PolarHBondContact O-N 3.05Å; R820-R824 WeakPolarHBondContact O-CB 3.25Å; R820-R824 PolarHBondContact O-N 3.43Å |
| 821 | V | 92 | Very high | 91.5 | Very high | 88 Ų | 88 | 111.9 Ų | 111.9 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | N817 A818 I819 Q823 R824 N825 | N817-V821 WeakPolarHBondContact O-CG2 3.4Å; N817-V821 PolarHBondContact O-N 2.78Å; N817-V821 VanDerWaalsContact O-N 3.09Å; A818-V821 PolarHBondContact O-N 3.43Å; I819-V821 VanDerWaalsContact C-N 3.34Å; I819-V821 PolarHBondContact O-N 2.95Å; V821-Q823 PolarHBondContact O-N 3.49Å; V821-R824 PolarHBondContact O-N 3.44Å; V821-N825 PolarHBondContact O-N 2.92Å; V821-N825 PolarHBondContact O-ND2 2.86Å |
| 822 | I | 93.5 | Very high | 91.4 | Very high | 117 Ų | 117 | 108.4 Ų | 108.4 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 176.8 | -67.1 | 165.7 | 0 | 0 | 0 | 110.8 | A818 I819 N825 G826 | A818-I822 VanDerWaalsContact O-CG1 3.28Å; A818-I822 WeakPolarHBondContact O-CG1 3.42Å; A818-I822 PolarHBondContact O-N 2.99Å; I819-I822 PolarHBondContact O-N 3.42Å; I822-N825 PolarHBondContact O-N 2.72Å; I822-G826 PolarHBondContact O-N 2.83Å |
| 823 | Q | 91.6 | Very high | 91.2 | Very high | 114 Ų | 114 | 105.1 Ų | 105.1 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.7 | -77.8 | 175.2 | -15.1 | 0 | 0 | 111.6 | I819 V821 N825 G826 L827 | I819-Q823 HydrophobicContact CG2-CG 4.08Å; I819-Q823 VanDerWaalsContact O-CB 3.3Å; I819-Q823 WeakPolarHBondContact O-CB 3.28Å; I819-Q823 VanDerWaalsContact O-CG 3.22Å; I819-Q823 WeakPolarHBondContact O-CG 3.45Å; I819-Q823 PolarHBondContact O-N 3.28Å; V821-Q823 PolarHBondContact O-N 3.49Å; Q823-N825 VanDerWaalsContact C-N 3.33Å; Q823-N825 PolarHBondContact O-N 3.4Å; Q823-G826 PolarHBondContact O-N 2.75Å; Q823-L827 WeakPolarHBondContact O-CB 3.32Å; Q823-L827 WeakPolarHBondContact O-CG 3.16Å; Q823-L827 PolarHBondContact O-N 2.95Å |
| 824 | R | 93 | Very high | 90.9 | Very high | 198 Ų | 198 | 108 Ų | 108 | 75% | 0.747 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.2 | -45.5 | 175.6 | -178.2 | -179.4 | 174.5 | 177.5 | -1.1 | 111.2 | R820 V821 L827 A828 | R820-R824 WeakPolarHBondContact O-CB 3.25Å; R820-R824 PolarHBondContact O-N 3.43Å; V821-R824 PolarHBondContact O-N 3.44Å; R824-L827 PolarHBondContact O-N 2.89Å; R824-A828 WeakPolarHBondContact O-CB 3.21Å; R824-A828 PolarHBondContact O-N 3.45Å |
| 825 | N | 93.4 | Very high | 90.9 | Very high | 102 Ų | 102 | 108.1 Ų | 108.1 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 176.5 | -78 | -37.6 | 0 | 0 | 0 | 112.3 | V821 I822 Q823 A828 Y829 | V821-N825 PolarHBondContact O-N 2.92Å; V821-N825 PolarHBondContact O-ND2 2.86Å; I822-N825 PolarHBondContact O-N 2.72Å; Q823-N825 VanDerWaalsContact C-N 3.33Å; Q823-N825 PolarHBondContact O-N 3.4Å; N825-A828 PolarHBondContact O-N 3.45Å; N825-Y829 WeakPolarHBondContact O-CB 3.49Å; N825-Y829 PolarHBondContact O-N 2.95Å |
| 826 | G | 92.3 | Very high | 90.7 | Very high | 33 Ų | 33 | 108.5 Ų | 108.5 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I822 Q823 Y829 L830 | I822-G826 PolarHBondContact O-N 2.83Å; Q823-G826 PolarHBondContact O-N 2.75Å; G826-Y829 PolarHBondContact O-N 3.14Å; G826-L830 WeakPolarHBondContact O-CG 3.33Å; G826-L830 PolarHBondContact O-N 3.07Å |
| 827 | L | 92.3 | Very high | 90.5 | Very high | 121 Ų | 121 | 110.3 Ų | 110.3 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 175.6 | -70.7 | 173.1 | 0 | 0 | 0 | 112.1 | Q823 R824 Y829 L830 K831 | Q823-L827 WeakPolarHBondContact O-CB 3.32Å; Q823-L827 WeakPolarHBondContact O-CG 3.16Å; Q823-L827 PolarHBondContact O-N 2.95Å; R824-L827 PolarHBondContact O-N 2.89Å; L827-Y829 VanDerWaalsContact C-N 3.35Å; L827-L830 PolarHBondContact O-N 3.17Å; L827-K831 PolarHBondContact O-N 3.37Å |
| 828 | A | 90.3 | Very high | 90.3 | Very high | 44 Ų | 44 | 110.6 Ų | 110.6 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R824 N825 L830 K831 L832 | R824-A828 WeakPolarHBondContact O-CB 3.21Å; R824-A828 PolarHBondContact O-N 3.45Å; N825-A828 PolarHBondContact O-N 3.45Å; A828-L830 PolarHBondContact O-N 2.89Å; A828-K831 PolarHBondContact O-N 3.12Å; A828-L832 WeakPolarHBondContact O-CB 3.14Å; A828-L832 VanDerWaalsContact O-CG 3.3Å; A828-L832 WeakPolarHBondContact O-CG 3.21Å; A828-L832 PolarHBondContact O-N 3.31Å |
| 829 | Y | 89.6 | Confident | 90 | Very high | 136 Ų | 136 | 114.4 Ų | 114.4 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.8 | 177 | -104.3 | 0 | 0 | 0 | 112.3 | N825 G826 L827 K831 L832 R833 | N825-Y829 WeakPolarHBondContact O-CB 3.49Å; N825-Y829 PolarHBondContact O-N 2.95Å; G826-Y829 PolarHBondContact O-N 3.14Å; L827-Y829 VanDerWaalsContact C-N 3.35Å; Y829-K831 VanDerWaalsContact C-N 3.29Å; Y829-K831 PolarHBondContact O-N 2.79Å; Y829-L832 PolarHBondContact O-N 3.24Å; Y829-R833 HydrophobicContact CE2-CB 4.44Å; Y829-R833 WeakPolarHBondContact O-CB 3.39Å; Y829-R833 WeakPolarHBondContact O-CG 3.08Å; Y829-R833 PolarHBondContact O-N 3.46Å |
| 830 | L | 88.9 | Confident | 89.7 | Confident | 92 Ų | 92 | 115 Ų | 115 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 175.4 | -72.8 | 171.9 | 0 | 0 | 0 | 112.4 | G826 L827 A828 R833 | G826-L830 WeakPolarHBondContact O-CG 3.33Å; G826-L830 PolarHBondContact O-N 3.07Å; L827-L830 PolarHBondContact O-N 3.17Å; A828-L830 PolarHBondContact O-N 2.89Å; L830-R833 WeakPolarHBondContact O-CG 3.44Å |
| 831 | K | 88.4 | Confident | 89.5 | Confident | 179 Ų | 179 | 113 Ų | 113 | 78% | 0.778 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.8 | -42 | 174.4 | -168.2 | 176.8 | -178.6 | 179.1 | 0 | 112.2 | L827 A828 Y829 | L827-K831 PolarHBondContact O-N 3.37Å; A828-K831 PolarHBondContact O-N 3.12Å; Y829-K831 VanDerWaalsContact C-N 3.29Å; Y829-K831 PolarHBondContact O-N 2.79Å |
| 832 | L | 88.9 | Confident | 89.2 | Confident | 56 Ų | 56 | 111.9 Ų | 111.9 | 29% | 0.293 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -81 | -32.7 | -173.3 | -69.5 | 170.1 | 0 | 0 | 0 | 113.8 | A828 Y829 H834 W835 W838 | A828-L832 WeakPolarHBondContact O-CB 3.14Å; A828-L832 VanDerWaalsContact O-CG 3.3Å; A828-L832 WeakPolarHBondContact O-CG 3.21Å; A828-L832 PolarHBondContact O-N 3.31Å; Y829-L832 PolarHBondContact O-N 3.24Å; L832-H834 PolarHBondContact O-N 3.43Å; L832-W835 HydrophobicContact CD2-CE3 3.75Å; L832-W835 HydrophobicContact CD2-CZ3 4.18Å; L832-W835 WeakPolarHBondContact O-CB 2.96Å; L832-W835 PolarHBondContact O-N 2.67Å; L832-W838 HydrophobicContact CB-CD2 4.26Å; L832-W838 HydrophobicContact CB-CE3 4.5Å; L832-W838 HydrophobicContact CB-CG 4.44Å; L832-W838 HydrophobicContact CD1-CZ3 4.4Å; L832-W838 VanDerWaalsContact O-CB 3.27Å; L832-W838 WeakPolarHBondContact O-CB 3.25Å |
| 833 | R | 86.7 | Confident | 88.9 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.7 | -175 | 68.7 | 176.3 | -75.8 | -166.6 | -2.8 | 114.4 | Y829 L830 | Y829-R833 HydrophobicContact CE2-CB 4.44Å; Y829-R833 WeakPolarHBondContact O-CB 3.39Å; Y829-R833 WeakPolarHBondContact O-CG 3.08Å; Y829-R833 PolarHBondContact O-N 3.46Å; L830-R833 WeakPolarHBondContact O-CG 3.44Å |
| 834 | H | 84.5 | Confident | 88.8 | Confident | 113 Ų | 113 | 111.7 Ų | 111.7 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -6.7 | 178.9 | -62.4 | -67.7 | 0 | 0 | 0 | 113.2 | L832 Q836 | L832-H834 PolarHBondContact O-N 3.43Å; H834-Q836 PolarHBondContact O-N 2.98Å |
| 835 | W | 89.6 | Confident | 88.4 | Confident | 142 Ų | 142 | 108.1 Ų | 108.1 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | trans | -73.7 | 125.7 | 179.3 | -169.2 | 31.6 | 0 | 0 | 0 | 110.4 | L832 W837 W838 R839 | L832-W835 HydrophobicContact CD2-CE3 3.75Å; L832-W835 HydrophobicContact CD2-CZ3 4.18Å; L832-W835 WeakPolarHBondContact O-CB 2.96Å; L832-W835 PolarHBondContact O-N 2.67Å; W835-W837 VanDerWaalsContact C-N 3.28Å; W835-W837 HydrophobicContact CD2-CB 4.01Å; W835-W837 AromaticContact CE2-CD1 3.8Å; W835-W837 HydrophobicContact CE3-CB 4.36Å; W835-W837 HydrophobicContact CG-CB 4.5Å; W835-W837 HydrophobicContact CH2-CB 4.38Å; W835-W837 HydrophobicContact CZ2-CB 4.02Å; W835-W837 AromaticContact CZ2-CD1 3.93Å; W835-W837 HydrophobicContact CZ2-CG 4.22Å; W835-W837 AromaticContact NE1-CD1 3.59Å; W835-W837 PolarHBondContact O-N 3Å; W835-W838 HydrophobicContact CB-CB 4.18Å; W835-W838 VanDerWaalsContact O-CB 3.27Å; W835-W838 WeakPolarHBondContact O-CB 3.39Å; W835-W838 PolarHBondContact O-N 2.85Å; W835-R839 PolarHBondContact O-N 3.46Å | ||
| 836 | Q | 87.8 | Confident | 87.9 | Confident | 129 Ų | 129 | 106.5 Ų | 106.5 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -37.5 | -174.6 | -62.3 | -65.6 | -0.4 | 0 | 0 | 112.4 | H834 W838 R839 L840 | H834-Q836 PolarHBondContact O-N 2.98Å; Q836-W838 VanDerWaalsContact C-N 3.27Å; Q836-W838 PolarHBondContact O-N 3.49Å; Q836-R839 PolarHBondContact O-N 2.9Å; Q836-L840 PolarHBondContact O-N 3.29Å; Q836-L840 VanDerWaalsContact O-N 3.16Å |
| 837 | W | 89.4 | Confident | 87.6 | Confident | 174 Ų | 174 | 111.7 Ų | 111.7 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -34 | 174.6 | -73.4 | 105.2 | 0 | 0 | 0 | 112.7 | W835 R839 L840 F841 | W835-W837 VanDerWaalsContact C-N 3.28Å; W835-W837 HydrophobicContact CD2-CB 4.01Å; W835-W837 AromaticContact CE2-CD1 3.8Å; W835-W837 HydrophobicContact CE3-CB 4.36Å; W835-W837 HydrophobicContact CG-CB 4.5Å; W835-W837 HydrophobicContact CH2-CB 4.38Å; W835-W837 HydrophobicContact CZ2-CB 4.02Å; W835-W837 AromaticContact CZ2-CD1 3.93Å; W835-W837 HydrophobicContact CZ2-CG 4.22Å; W835-W837 AromaticContact NE1-CD1 3.59Å; W835-W837 PolarHBondContact O-N 3Å; W837-R839 PolarHBondContact O-N 2.94Å; W837-L840 HydrophobicContact CE3-CD2 4.15Å; W837-L840 HydrophobicContact CZ3-CD2 4.02Å; W837-L840 PolarHBondContact O-N 3.44Å; W837-F841 WeakPolarHBondContact O-CB 3.19Å; W837-F841 PolarHBondContact O-N 2.89Å |
| 838 | W | 87.4 | Confident | 87.2 | Confident | 90 Ų | 90 | 111.9 Ų | 111.9 | 34% | 0.341 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.5 | -170.1 | -103.4 | 0 | 0 | 0 | 111.9 | L832 W835 Q836 F841 T842 | L832-W838 HydrophobicContact CB-CD2 4.26Å; L832-W838 HydrophobicContact CB-CE3 4.5Å; L832-W838 HydrophobicContact CB-CG 4.44Å; L832-W838 HydrophobicContact CD1-CZ3 4.4Å; L832-W838 VanDerWaalsContact O-CB 3.27Å; L832-W838 WeakPolarHBondContact O-CB 3.25Å; W835-W838 HydrophobicContact CB-CB 4.18Å; W835-W838 VanDerWaalsContact O-CB 3.27Å; W835-W838 WeakPolarHBondContact O-CB 3.39Å; W835-W838 PolarHBondContact O-N 2.85Å; Q836-W838 VanDerWaalsContact C-N 3.27Å; Q836-W838 PolarHBondContact O-N 3.49Å; W838-F841 HydrophobicContact CE3-CD1 4.47Å; W838-F841 HydrophobicContact CZ3-CD1 4.42Å; W838-T842 HydrophobicContact CD2-CG2 4.45Å; W838-T842 HydrophobicContact CZ2-CG2 4.46Å; W838-T842 WeakPolarHBondContact O-CB 3.49Å; W838-T842 VanDerWaalsContact O-CG2 3.3Å; W838-T842 WeakPolarHBondContact O-CG2 3.29Å; W838-T842 PolarHBondContact O-N 3.37Å; W838-T842 PolarHBondContact O-OG1 3Å |
| 839 | R | 84.7 | Confident | 86.9 | Confident | 130 Ų | 130 | 113.4 Ų | 113.4 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 175.9 | -66.1 | 179.3 | 177.4 | -177.6 | -4 | 112.5 | W835 Q836 W837 T842 K843 | W835-R839 PolarHBondContact O-N 3.46Å; Q836-R839 PolarHBondContact O-N 2.9Å; W837-R839 PolarHBondContact O-N 2.94Å; R839-T842 WeakPolarHBondContact CA-OG1 3.4Å; R839-T842 PolarHBondContact O-OG1 3.31Å; R839-K843 WeakPolarHBondContact O-CG 3.28Å; R839-K843 PolarHBondContact O-N 3.22Å |
| 840 | L | 87.9 | Confident | 86.6 | Confident | 94 Ų | 94 | 112.3 Ų | 112.3 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.1 | -48.9 | 175.5 | -178.5 | 63.2 | 0 | 0 | 0 | 110.8 | Q836 W837 T842 K843 V844 | Q836-L840 PolarHBondContact O-N 3.29Å; Q836-L840 VanDerWaalsContact O-N 3.16Å; W837-L840 HydrophobicContact CE3-CD2 4.15Å; W837-L840 HydrophobicContact CZ3-CD2 4.02Å; W837-L840 PolarHBondContact O-N 3.44Å; L840-T842 VanDerWaalsContact C-N 3.35Å; L840-T842 PolarHBondContact O-N 2.7Å; L840-K843 WeakPolarHBondContact O-CB 3.3Å; L840-K843 PolarHBondContact O-N 2.96Å; L840-K843 VanDerWaalsContact O-N 3.07Å; L840-V844 HydrophobicContact CD1-CG2 4.34Å; L840-V844 WeakPolarHBondContact O-CG2 3.48Å; L840-V844 PolarHBondContact O-N 2.95Å |
| 841 | F | 87.3 | Confident | 86.3 | Confident | 107 Ų | 107 | 112.5 Ų | 112.5 | 47% | 0.469 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 179.9 | 178 | -103.7 | 0 | 0 | 0 | 112.4 | W837 W838 K843 V844 K845 | W837-F841 WeakPolarHBondContact O-CB 3.19Å; W837-F841 PolarHBondContact O-N 2.89Å; W838-F841 HydrophobicContact CE3-CD1 4.47Å; W838-F841 HydrophobicContact CZ3-CD1 4.42Å; F841-K843 VanDerWaalsContact C-N 3.26Å; F841-K843 PolarHBondContact O-N 2.87Å; F841-V844 PolarHBondContact O-N 3.14Å; F841-K845 HydrophobicContact CE1-CD 3.91Å; F841-K845 HydrophobicContact CZ-CB 4.48Å; F841-K845 HydrophobicContact CZ-CD 4Å; F841-K845 HydrophobicContact CZ-CG 4.48Å; F841-K845 WeakPolarHBondContact O-CB 3.21Å; F841-K845 PolarHBondContact O-N 2.97Å |
| 842 | T | 86.7 | Confident | 85.9 | Confident | 65 Ų | 65 | 106.8 Ų | 106.8 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -23.7 | 177.4 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | W838 R839 L840 P846 | W838-T842 HydrophobicContact CD2-CG2 4.45Å; W838-T842 HydrophobicContact CZ2-CG2 4.46Å; W838-T842 WeakPolarHBondContact O-CB 3.49Å; W838-T842 VanDerWaalsContact O-CG2 3.3Å; W838-T842 WeakPolarHBondContact O-CG2 3.29Å; W838-T842 PolarHBondContact O-N 3.37Å; W838-T842 PolarHBondContact O-OG1 3Å; R839-T842 WeakPolarHBondContact CA-OG1 3.4Å; R839-T842 PolarHBondContact O-OG1 3.31Å; L840-T842 VanDerWaalsContact C-N 3.35Å; L840-T842 PolarHBondContact O-N 2.7Å; T842-P846 WeakPolarHBondContact O-CD 3.47Å |
| 843 | K | 87.3 | Confident | 85.6 | Confident | 165 Ų | 165 | 109.6 Ų | 109.6 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -79.3 | -34.4 | 170.5 | -73.4 | -177.3 | 176.7 | -172.1 | 0 | 113.1 | R839 L840 F841 | R839-K843 WeakPolarHBondContact O-CG 3.28Å; R839-K843 PolarHBondContact O-N 3.22Å; L840-K843 WeakPolarHBondContact O-CB 3.3Å; L840-K843 PolarHBondContact O-N 2.96Å; L840-K843 VanDerWaalsContact O-N 3.07Å; F841-K843 VanDerWaalsContact C-N 3.26Å; F841-K843 PolarHBondContact O-N 2.87Å |
| 844 | V | 88.4 | Confident | 85.6 | Confident | 63 Ų | 63 | 110.2 Ų | 110.2 | 38% | 0.382 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -82.3 | -39 | -177.9 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | L840 F841 P846 L847 L848 | L840-V844 HydrophobicContact CD1-CG2 4.34Å; L840-V844 WeakPolarHBondContact O-CG2 3.48Å; L840-V844 PolarHBondContact O-N 2.95Å; F841-V844 PolarHBondContact O-N 3.14Å; V844-P846 VanDerWaalsContact C-CD 3.49Å; V844-L847 VanDerWaalsContact O-CB 3.3Å; V844-L847 WeakPolarHBondContact O-CB 3.23Å; V844-L847 PolarHBondContact O-N 2.81Å; V844-L848 HydrophobicContact CG1-CD1 4.05Å |
| 845 | K | 84.6 | Confident | 85.6 | Confident | 123 Ų | 123 | 111.1 Ų | 111.1 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -52.6 | -42.2 | -175.4 | -175.9 | -179.4 | -179 | -178.3 | 0 | 114 | F841 L847 L848 | F841-K845 HydrophobicContact CE1-CD 3.91Å; F841-K845 HydrophobicContact CZ-CB 4.48Å; F841-K845 HydrophobicContact CZ-CD 4Å; F841-K845 HydrophobicContact CZ-CG 4.48Å; F841-K845 WeakPolarHBondContact O-CB 3.21Å; F841-K845 PolarHBondContact O-N 2.97Å; K845-L847 PolarHBondContact O-N 2.89Å; K845-L848 PolarHBondContact O-N 3.41Å |
| 846 | P | 83.6 | Confident | 85.4 | Confident | 68 Ų | 68 | 110.5 Ų | 110.5 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -67.7 | -12.8 | 177 | -21.3 | 34.3 | 0 | 0 | 0 | 115 | T842 V844 Q849 | T842-P846 WeakPolarHBondContact O-CD 3.47Å; V844-P846 VanDerWaalsContact C-CD 3.49Å; P846-Q849 WeakPolarHBondContact O-CG 3.1Å; P846-Q849 PolarHBondContact O-NE2 3.44Å |
| 847 | L | 86.2 | Confident | 85.4 | Confident | 142 Ų | 142 | 109 Ų | 109 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -83.1 | -28.6 | 177.6 | -57.2 | 175.4 | 0 | 0 | 0 | 112 | V844 K845 Q849 | V844-L847 VanDerWaalsContact O-CB 3.3Å; V844-L847 WeakPolarHBondContact O-CB 3.23Å; V844-L847 PolarHBondContact O-N 2.81Å; K845-L847 PolarHBondContact O-N 2.89Å; L847-Q849 PolarHBondContact O-N 2.87Å |
| 848 | L | 83.8 | Confident | 85.4 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | trans | -91.8 | 82.5 | 173 | -77.8 | 109 | 0 | 0 | 0 | 110.2 | V844 K845 | V844-L848 HydrophobicContact CG1-CD1 4.05Å; K845-L848 PolarHBondContact O-N 3.41Å | ||
| 849 | Q | 82.4 | Confident | 85.3 | Confident | 76 Ų | 76 | 107 Ų | 107 | 36% | 0.355 | 53% | 0.532 | S | S | . | . | trans | -96.8 | -1.3 | -176.5 | -58.2 | -167.2 | 0.4 | 0 | 0 | 115.1 | P846 L847 T851 N852 Q853 | P846-Q849 WeakPolarHBondContact O-CG 3.1Å; P846-Q849 PolarHBondContact O-NE2 3.44Å; L847-Q849 PolarHBondContact O-N 2.87Å; Q849-T851 PolarHBondContact O-N 3.29Å; Q849-N852 CarbonylContact O-C 3.4Å; Q849-N852 WeakPolarHBondContact O-CA 3.49Å; Q849-N852 WeakPolarHBondContact O-CB 3.03Å; Q849-N852 PolarHBondContact O-N 3.02Å; Q849-Q853 HydrophobicContact CB-CG 4.03Å; Q849-Q853 WeakPolarHBondContact O-CB 3.45Å; Q849-Q853 WeakPolarHBondContact O-CG 3.48Å; Q849-Q853 PolarHBondContact O-N 3.24Å | ||
| 850 | V | 84.1 | Confident | 85.5 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.8 | -50.3 | -168.9 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | Q853 E854 | V850-Q853 PolarHBondContact O-N 3.31Å; V850-E854 PolarHBondContact O-N 3.21Å |
| 851 | T | 81.7 | Confident | 85.5 | Confident | 96 Ų | 96 | 107.1 Ų | 107.1 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 175.6 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | Q849 Q853 E854 E855 | Q849-T851 PolarHBondContact O-N 3.29Å; T851-Q853 VanDerWaalsContact C-N 3.3Å; T851-Q853 PolarHBondContact O-N 3.13Å; T851-E854 PolarHBondContact O-N 3.11Å; T851-E855 WeakPolarHBondContact O-CB 3.17Å; T851-E855 PolarHBondContact O-N 2.88Å |
| 852 | N | 80.3 | Confident | 85.6 | Confident | 59 Ų | 59 | 105.3 Ų | 105.3 | 32% | 0.316 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -29.9 | 175.4 | -72.8 | -39.5 | 0 | 0 | 0 | 112.5 | Q849 K856 | Q849-N852 CarbonylContact O-C 3.4Å; Q849-N852 WeakPolarHBondContact O-CA 3.49Å; Q849-N852 WeakPolarHBondContact O-CB 3.03Å; Q849-N852 PolarHBondContact O-N 3.02Å; N852-K856 WeakPolarHBondContact O-CB 3.19Å; N852-K856 WeakPolarHBondContact O-CD 3.49Å; N852-K856 WeakPolarHBondContact O-CG 3.41Å; N852-K856 PolarHBondContact O-N 3Å |
| 853 | Q | 84.1 | Confident | 85.7 | Confident | 115 Ų | 115 | 105.5 Ų | 105.5 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -75.5 | -39.9 | 177.7 | -80.6 | 177.4 | -2.9 | 0 | 0 | 110.2 | Q849 V850 T851 K856 L857 | Q849-Q853 HydrophobicContact CB-CG 4.03Å; Q849-Q853 WeakPolarHBondContact O-CB 3.45Å; Q849-Q853 WeakPolarHBondContact O-CG 3.48Å; Q849-Q853 PolarHBondContact O-N 3.24Å; V850-Q853 PolarHBondContact O-N 3.31Å; T851-Q853 VanDerWaalsContact C-N 3.3Å; T851-Q853 PolarHBondContact O-N 3.13Å; Q853-K856 CarbonylContact O-C 3.43Å; Q853-K856 PolarHBondContact O-N 2.86Å; Q853-L857 VanDerWaalsContact O-CB 3.24Å; Q853-L857 WeakPolarHBondContact O-CB 3.4Å; Q853-L857 PolarHBondContact O-N 2.88Å |
| 854 | E | 86.4 | Confident | 85.8 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -46.3 | 174.3 | -166.5 | 169.5 | -166 | 0 | 0 | 111.7 | V850 T851 K856 L857 L858 | V850-E854 PolarHBondContact O-N 3.21Å; T851-E854 PolarHBondContact O-N 3.11Å; E854-K856 VanDerWaalsContact C-N 3.35Å; E854-K856 PolarHBondContact O-N 3.38Å; E854-L857 PolarHBondContact O-N 3.37Å; E854-L857 VanDerWaalsContact O-N 3.13Å; E854-L858 PolarHBondContact O-N 2.81Å |
| 855 | E | 84.5 | Confident | 85.9 | Confident | 131 Ų | 131 | 106.2 Ų | 106.2 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 171.3 | -78 | -176.6 | 172.3 | 0 | 0 | 111.9 | T851 L857 H859 | T851-E855 WeakPolarHBondContact O-CB 3.17Å; T851-E855 PolarHBondContact O-N 2.88Å; E855-L857 VanDerWaalsContact C-N 3.3Å; E855-L857 PolarHBondContact O-N 3Å; E855-H859 VanDerWaalsContact O-CB 3.23Å; E855-H859 WeakPolarHBondContact O-CB 3.32Å; E855-H859 PolarHBondContact O-N 3.17Å |
| 856 | K | 84.7 | Confident | 86.1 | Confident | 129 Ų | 129 | 105.5 Ų | 105.5 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -33.5 | 174.1 | -82 | 173.3 | -177.5 | -176.3 | 0 | 112.4 | N852 Q853 E854 K860 | N852-K856 WeakPolarHBondContact O-CB 3.19Å; N852-K856 WeakPolarHBondContact O-CD 3.49Å; N852-K856 WeakPolarHBondContact O-CG 3.41Å; N852-K856 PolarHBondContact O-N 3Å; Q853-K856 CarbonylContact O-C 3.43Å; Q853-K856 PolarHBondContact O-N 2.86Å; E854-K856 VanDerWaalsContact C-N 3.35Å; E854-K856 PolarHBondContact O-N 3.38Å; K856-K860 WeakPolarHBondContact O-CB 3.47Å; K856-K860 WeakPolarHBondContact O-CG 3.48Å; K856-K860 PolarHBondContact O-N 2.9Å |
| 857 | L | 87.3 | Confident | 86.4 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71 | -47.4 | 178.9 | -172.6 | 134.5 | 0 | 0 | 0 | 109.9 | Q853 E854 E855 H859 K860 E861 | Q853-L857 VanDerWaalsContact O-CB 3.24Å; Q853-L857 WeakPolarHBondContact O-CB 3.4Å; Q853-L857 PolarHBondContact O-N 2.88Å; E854-L857 PolarHBondContact O-N 3.37Å; E854-L857 VanDerWaalsContact O-N 3.13Å; E855-L857 VanDerWaalsContact C-N 3.3Å; E855-L857 PolarHBondContact O-N 3Å; L857-H859 PolarHBondContact O-N 3.22Å; L857-K860 CarbonylContact O-C 3.6Å; L857-K860 PolarHBondContact O-N 2.9Å; L857-K860 VanDerWaalsContact O-N 3.17Å; L857-E861 HydrophobicContact CD2-CG 4.44Å; L857-E861 WeakPolarHBondContact CD2-OE1 3Å; L857-E861 WeakPolarHBondContact O-CB 3.31Å; L857-E861 WeakPolarHBondContact O-CG 3.44Å; L857-E861 PolarHBondContact O-N 3.46Å |
| 858 | L | 89 | Confident | 86.6 | Confident | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 172.3 | -75.2 | 165.2 | 0 | 0 | 0 | 112 | E854 K860 E861 E862 | E854-L858 PolarHBondContact O-N 2.81Å; L858-K860 VanDerWaalsContact C-N 3.34Å; L858-E861 PolarHBondContact O-N 3.42Å; L858-E862 PolarHBondContact O-N 3.39Å |
| 859 | H | 86 | Confident | 86.8 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 175.4 | -163.7 | 62.6 | 0 | 0 | 0 | 111.5 | E855 L857 E862 E863 | E855-H859 VanDerWaalsContact O-CB 3.23Å; E855-H859 WeakPolarHBondContact O-CB 3.32Å; E855-H859 PolarHBondContact O-N 3.17Å; L857-H859 PolarHBondContact O-N 3.22Å; H859-E862 PolarHBondContact O-N 3.21Å; H859-E863 IonicContact CD2-OE1 2.8Å; H859-E863 PolarHBondContact CD2-OE1 3.45Å; H859-E863 VanDerWaalsContact CD2-OE1 3.25Å; H859-E863 IonicContact NE2-OE1 3.55Å; H859-E863 PolarHBondContact NE2-OE1 2.88Å; H859-E863 WeakPolarHBondContact O-CB 3.44Å; H859-E863 VanDerWaalsContact O-CG 3.3Å; H859-E863 WeakPolarHBondContact O-CG 3.28Å; H859-E863 PolarHBondContact O-N 3.33Å |
| 860 | K | 88.3 | Confident | 87 | Confident | 119 Ų | 119 | 104 Ų | 104 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 174.8 | -82.3 | -73.6 | 169.9 | -153.1 | 0 | 112.6 | K856 L857 L858 E863 L864 | K856-K860 WeakPolarHBondContact O-CB 3.47Å; K856-K860 WeakPolarHBondContact O-CG 3.48Å; K856-K860 PolarHBondContact O-N 2.9Å; L857-K860 CarbonylContact O-C 3.6Å; L857-K860 PolarHBondContact O-N 2.9Å; L857-K860 VanDerWaalsContact O-N 3.17Å; L858-K860 VanDerWaalsContact C-N 3.34Å; K860-E863 WeakPolarHBondContact CD-OE2 3.45Å; K860-E863 WeakPolarHBondContact CE-OE2 3.4Å; K860-E863 IonicContact NZ-OE2 3.27Å; K860-E863 PolarHBondContact NZ-OE2 2.9Å; K860-L864 WeakPolarHBondContact O-CB 3.27Å; K860-L864 WeakPolarHBondContact O-CD1 3.44Å; K860-L864 WeakPolarHBondContact O-CG 2.94Å; K860-L864 PolarHBondContact O-N 3.46Å |
| 861 | E | 89.2 | Confident | 87.3 | Confident | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 173.7 | -77 | 177.9 | 168.3 | 0 | 0 | 111.2 | L857 L858 L864 R865 | L857-E861 HydrophobicContact CD2-CG 4.44Å; L857-E861 WeakPolarHBondContact CD2-OE1 3Å; L857-E861 WeakPolarHBondContact O-CB 3.31Å; L857-E861 WeakPolarHBondContact O-CG 3.44Å; L857-E861 PolarHBondContact O-N 3.46Å; L858-E861 PolarHBondContact O-N 3.42Å; E861-L864 PolarHBondContact O-N 2.81Å; E861-R865 WeakPolarHBondContact O-CB 3.39Å; E861-R865 PolarHBondContact O-N 3.11Å |
| 862 | E | 88.2 | Confident | 87.7 | Confident | 69 Ų | 69 | 105.3 Ų | 105.3 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 174.8 | -174.1 | 59.7 | -156.2 | 0 | 0 | 111.7 | L858 H859 L864 R865 Q866 | L858-E862 PolarHBondContact O-N 3.39Å; H859-E862 PolarHBondContact O-N 3.21Å; E862-L864 PolarHBondContact O-N 3.14Å; E862-R865 PolarHBondContact O-N 3.19Å; E862-R865 IonicContact OE1-CZ 3.44Å; E862-R865 IonicContact OE1-NE 2.85Å; E862-R865 IonicContact OE1-NH2 3.71Å; E862-R865 PolarHBondContact OE1-NH2 3.41Å; E862-R865 IonicContact OE2-CZ 3.86Å; E862-R865 IonicContact OE2-NE 3.89Å; E862-R865 PolarHBondContact OE2-NE 2.8Å; E862-R865 IonicContact OE2-NH2 3.65Å; E862-R865 PolarHBondContact OE2-NH2 3.18Å; E862-Q866 WeakPolarHBondContact O-CG 3.47Å; E862-Q866 PolarHBondContact O-N 3.45Å; E862-Q866 PolarHBondContact OE1-NE2 2.82Å |
| 863 | E | 89.4 | Confident | 87.9 | Confident | 68 Ų | 68 | 109.6 Ų | 109.6 | 32% | 0.318 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 171.6 | -78.7 | -180 | -179.1 | 0 | 0 | 111.1 | H859 K860 R865 Q866 V867 | H859-E863 IonicContact CD2-OE1 2.8Å; H859-E863 PolarHBondContact CD2-OE1 3.45Å; H859-E863 VanDerWaalsContact CD2-OE1 3.25Å; H859-E863 IonicContact NE2-OE1 3.55Å; H859-E863 PolarHBondContact NE2-OE1 2.88Å; H859-E863 WeakPolarHBondContact O-CB 3.44Å; H859-E863 VanDerWaalsContact O-CG 3.3Å; H859-E863 WeakPolarHBondContact O-CG 3.28Å; H859-E863 PolarHBondContact O-N 3.33Å; K860-E863 WeakPolarHBondContact CD-OE2 3.45Å; K860-E863 WeakPolarHBondContact CE-OE2 3.4Å; K860-E863 IonicContact NZ-OE2 3.27Å; K860-E863 PolarHBondContact NZ-OE2 2.9Å; E863-R865 VanDerWaalsContact C-N 3.3Å; E863-R865 PolarHBondContact O-N 3.46Å; E863-Q866 PolarHBondContact O-N 3.24Å; E863-V867 WeakPolarHBondContact O-CB 3.12Å; E863-V867 VanDerWaalsContact O-CG2 3.25Å; E863-V867 WeakPolarHBondContact O-CG2 2.89Å; E863-V867 PolarHBondContact O-N 2.84Å |
| 864 | L | 90.1 | Very high | 88 | Confident | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 177.1 | -83 | 166.6 | 0 | 0 | 0 | 111.5 | K860 E861 E862 K868 | K860-L864 WeakPolarHBondContact O-CB 3.27Å; K860-L864 WeakPolarHBondContact O-CD1 3.44Å; K860-L864 WeakPolarHBondContact O-CG 2.94Å; K860-L864 PolarHBondContact O-N 3.46Å; E861-L864 PolarHBondContact O-N 2.81Å; E862-L864 PolarHBondContact O-N 3.14Å; L864-K868 VanDerWaalsContact O-CB 3.26Å; L864-K868 WeakPolarHBondContact O-CB 3.26Å; L864-K868 WeakPolarHBondContact O-CG 3.29Å; L864-K868 PolarHBondContact O-N 2.82Å |
| 865 | R | 90.2 | Very high | 88.2 | Confident | 142 Ų | 142 | 106.6 Ų | 106.6 | 54% | 0.536 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -49 | 175 | -166.6 | 178.4 | 73.9 | 153.5 | 2.4 | 110.9 | E861 E862 E863 V867 K868 D869 | E861-R865 WeakPolarHBondContact O-CB 3.39Å; E861-R865 PolarHBondContact O-N 3.11Å; E862-R865 PolarHBondContact O-N 3.19Å; E862-R865 IonicContact OE1-CZ 3.44Å; E862-R865 IonicContact OE1-NE 2.85Å; E862-R865 IonicContact OE1-NH2 3.71Å; E862-R865 PolarHBondContact OE1-NH2 3.41Å; E862-R865 IonicContact OE2-CZ 3.86Å; E862-R865 IonicContact OE2-NE 3.89Å; E862-R865 PolarHBondContact OE2-NE 2.8Å; E862-R865 IonicContact OE2-NH2 3.65Å; E862-R865 PolarHBondContact OE2-NH2 3.18Å; E863-R865 VanDerWaalsContact C-N 3.3Å; E863-R865 PolarHBondContact O-N 3.46Å; R865-V867 PolarHBondContact O-N 2.92Å; R865-K868 PolarHBondContact O-N 2.77Å; R865-D869 PolarHBondContact O-N 2.71Å |
| 866 | Q | 88.8 | Confident | 88.4 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 177.3 | -70.4 | 176.8 | 13.7 | 0 | 0 | 112.2 | E862 E863 D869 V870 | E862-Q866 WeakPolarHBondContact O-CG 3.47Å; E862-Q866 PolarHBondContact O-N 3.45Å; E862-Q866 PolarHBondContact OE1-NE2 2.82Å; E863-Q866 PolarHBondContact O-N 3.24Å; Q866-D869 PolarHBondContact O-N 3.17Å; Q866-V870 WeakPolarHBondContact O-CG2 3.05Å; Q866-V870 PolarHBondContact O-N 3.31Å |
| 867 | V | 89.2 | Confident | 88.4 | Confident | 95 Ų | 95 | 103 Ų | 103 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | E863 R865 V870 L871 | E863-V867 WeakPolarHBondContact O-CB 3.12Å; E863-V867 VanDerWaalsContact O-CG2 3.25Å; E863-V867 WeakPolarHBondContact O-CG2 2.89Å; E863-V867 PolarHBondContact O-N 2.84Å; R865-V867 PolarHBondContact O-N 2.92Å; V867-V870 PolarHBondContact O-N 2.8Å; V867-L871 WeakPolarHBondContact O-CB 3.41Å; V867-L871 PolarHBondContact O-N 3.44Å |
| 868 | K | 91.9 | Very high | 88.5 | Confident | 140 Ų | 140 | 101.9 Ų | 101.9 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 174.2 | -82 | 177.3 | 179.2 | -178.7 | 0 | 111.9 | L864 R865 L871 Q872 | L864-K868 VanDerWaalsContact O-CB 3.26Å; L864-K868 WeakPolarHBondContact O-CB 3.26Å; L864-K868 WeakPolarHBondContact O-CG 3.29Å; L864-K868 PolarHBondContact O-N 2.82Å; R865-K868 PolarHBondContact O-N 2.77Å; K868-L871 PolarHBondContact O-N 3.37Å; K868-Q872 VanDerWaalsContact O-CB 3.27Å; K868-Q872 WeakPolarHBondContact O-CB 3.31Å; K868-Q872 PolarHBondContact O-N 3.12Å |
| 869 | D | 86 | Confident | 88.6 | Confident | 70 Ų | 70 | 101.6 Ų | 101.6 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 178.4 | -72 | -8.5 | 0 | 0 | 0 | 111.5 | R865 Q866 R873 | R865-D869 PolarHBondContact O-N 2.71Å; Q866-D869 PolarHBondContact O-N 3.17Å; D869-R873 WeakPolarHBondContact O-CG 3.19Å; D869-R873 PolarHBondContact O-N 2.7Å |
| 870 | V | 88.4 | Confident | 88.5 | Confident | 74 Ų | 74 | 99.4 Ų | 99.4 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | Q866 V867 R873 Q874 | Q866-V870 WeakPolarHBondContact O-CG2 3.05Å; Q866-V870 PolarHBondContact O-N 3.31Å; V867-V870 PolarHBondContact O-N 2.8Å; V870-R873 PolarHBondContact O-N 2.92Å; V870-Q874 WeakPolarHBondContact O-CG 2.72Å; V870-Q874 PolarHBondContact O-N 3.26Å |
| 871 | L | 89 | Confident | 88.2 | Confident | 106 Ų | 106 | 99.4 Ų | 99.4 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 178.4 | -175.2 | 68.9 | 0 | 0 | 0 | 111.6 | V867 K868 Q874 D875 | V867-L871 WeakPolarHBondContact O-CB 3.41Å; V867-L871 PolarHBondContact O-N 3.44Å; K868-L871 PolarHBondContact O-N 3.37Å; L871-Q874 PolarHBondContact O-N 3.43Å; L871-D875 WeakPolarHBondContact O-CB 3.38Å; L871-D875 PolarHBondContact O-N 2.8Å |
| 872 | Q | 90.4 | Very high | 88.2 | Confident | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.9 | -38.9 | 176.8 | -172.8 | 175.8 | -2.5 | 0 | 0 | 111.4 | K868 D875 V876 | K868-Q872 VanDerWaalsContact O-CB 3.27Å; K868-Q872 WeakPolarHBondContact O-CB 3.31Å; K868-Q872 PolarHBondContact O-N 3.12Å; Q872-D875 PolarHBondContact O-N 2.92Å; Q872-V876 WeakPolarHBondContact O-CG2 3.29Å; Q872-V876 PolarHBondContact O-N 2.89Å |
| 873 | R | 84.8 | Confident | 88.2 | Confident | 150 Ų | 150 | 102.8 Ų | 102.8 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 172.1 | -72.5 | 176.2 | -170.4 | 160.8 | 7.4 | 111.6 | D869 V870 D875 V876 E877 | D869-R873 WeakPolarHBondContact O-CG 3.19Å; D869-R873 PolarHBondContact O-N 2.7Å; V870-R873 PolarHBondContact O-N 2.92Å; R873-D875 PolarHBondContact O-N 2.81Å; R873-V876 PolarHBondContact O-N 3.28Å; R873-E877 WeakPolarHBondContact O-CG 3.27Å; R873-E877 PolarHBondContact O-N 2.84Å |
| 874 | Q | 86.6 | Confident | 87.9 | Confident | 105 Ų | 105 | 103.6 Ų | 103.6 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 175.9 | -73.9 | -178.7 | -14.8 | 0 | 0 | 112.5 | V870 L871 E877 V878 | V870-Q874 WeakPolarHBondContact O-CG 2.72Å; V870-Q874 PolarHBondContact O-N 3.26Å; L871-Q874 PolarHBondContact O-N 3.43Å; Q874-E877 PolarHBondContact O-N 2.99Å; Q874-V878 WeakPolarHBondContact O-CB 3.32Å; Q874-V878 VanDerWaalsContact O-CG2 3.27Å; Q874-V878 WeakPolarHBondContact O-CG2 3.24Å; Q874-V878 PolarHBondContact O-N 2.67Å |
| 875 | D | 90.7 | Very high | 87.8 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.5 | -176.8 | 63.8 | 0 | 0 | 0 | 111.9 | L871 Q872 R873 K879 | L871-D875 WeakPolarHBondContact O-CB 3.38Å; L871-D875 PolarHBondContact O-N 2.8Å; Q872-D875 PolarHBondContact O-N 2.92Å; R873-D875 PolarHBondContact O-N 2.81Å; D875-K879 WeakPolarHBondContact O-CB 3.13Å; D875-K879 VanDerWaalsContact O-CG 3.32Å; D875-K879 WeakPolarHBondContact O-CG 2.82Å; D875-K879 PolarHBondContact O-N 3.42Å; D875-K879 IonicContact OD1-NZ 2.69Å; D875-K879 WeakPolarHBondContact OD2-CE 2.76Å; D875-K879 IonicContact OD2-NZ 2.82Å; D875-K879 PolarHBondContact OD2-NZ 3.42Å |
| 876 | V | 89.3 | Confident | 87.8 | Confident | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 172.1 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | Q872 R873 V878 K879 D880 | Q872-V876 WeakPolarHBondContact O-CG2 3.29Å; Q872-V876 PolarHBondContact O-N 2.89Å; R873-V876 PolarHBondContact O-N 3.28Å; V876-V878 PolarHBondContact O-N 3.45Å; V876-K879 PolarHBondContact O-N 3.17Å; V876-D880 PolarHBondContact O-N 2.81Å |
| 877 | E | 84.1 | Confident | 87.7 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 176.5 | -73.4 | 179.3 | 178.9 | 0 | 0 | 112.5 | R873 Q874 D880 M881 | R873-E877 WeakPolarHBondContact O-CG 3.27Å; R873-E877 PolarHBondContact O-N 2.84Å; Q874-E877 PolarHBondContact O-N 2.99Å; E877-D880 PolarHBondContact O-N 3.38Å; E877-M881 WeakPolarHBondContact O-CB 3.41Å; E877-M881 VanDerWaalsContact O-CG 3.23Å; E877-M881 WeakPolarHBondContact O-CG 3.32Å; E877-M881 PolarHBondContact O-N 2.89Å |
| 878 | V | 88.4 | Confident | 87.3 | Confident | 77 Ų | 77 | 102.8 Ų | 102.8 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 176.5 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | Q874 V876 D880 M881 E882 | Q874-V878 WeakPolarHBondContact O-CB 3.32Å; Q874-V878 VanDerWaalsContact O-CG2 3.27Å; Q874-V878 WeakPolarHBondContact O-CG2 3.24Å; Q874-V878 PolarHBondContact O-N 2.67Å; V876-V878 PolarHBondContact O-N 3.45Å; V878-D880 VanDerWaalsContact C-N 3.32Å; V878-D880 PolarHBondContact O-N 3.34Å; V878-M881 CarbonylContact O-C 3.44Å; V878-M881 PolarHBondContact O-N 2.87Å; V878-E882 HydrophobicContact CG1-CG 4.48Å; V878-E882 WeakPolarHBondContact O-CG 2.8Å; V878-E882 PolarHBondContact O-N 2.99Å |
| 879 | K | 91 | Very high | 87.2 | Confident | 98 Ų | 98 | 99 Ų | 99 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 176.9 | -78 | 170.7 | 177.8 | 161.3 | 0 | 112.7 | D875 V876 E882 K883 | D875-K879 WeakPolarHBondContact O-CB 3.13Å; D875-K879 VanDerWaalsContact O-CG 3.32Å; D875-K879 WeakPolarHBondContact O-CG 2.82Å; D875-K879 PolarHBondContact O-N 3.42Å; D875-K879 IonicContact OD1-NZ 2.69Å; D875-K879 WeakPolarHBondContact OD2-CE 2.76Å; D875-K879 IonicContact OD2-NZ 2.82Å; D875-K879 PolarHBondContact OD2-NZ 3.42Å; V876-K879 PolarHBondContact O-N 3.17Å; K879-E882 PolarHBondContact O-N 3.34Å; K879-K883 WeakPolarHBondContact O-CG 3.17Å; K879-K883 PolarHBondContact O-N 3.21Å |
| 880 | D | 85.4 | Confident | 87.3 | Confident | 71 Ų | 71 | 99.1 Ų | 99.1 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.9 | -35 | 175.7 | -70.8 | -20.1 | 0 | 0 | 0 | 111.5 | V876 E877 V878 K883 K884 | V876-D880 PolarHBondContact O-N 2.81Å; E877-D880 PolarHBondContact O-N 3.38Å; V878-D880 VanDerWaalsContact C-N 3.32Å; V878-D880 PolarHBondContact O-N 3.34Å; D880-K883 PolarHBondContact O-N 2.94Å; D880-K883 IonicContact OD1-NZ 3.97Å; D880-K883 PolarHBondContact OD1-NZ 2.6Å; D880-K883 VanDerWaalsContact OD1-NZ 3.07Å; D880-K884 WeakPolarHBondContact O-CG 3.2Å; D880-K884 PolarHBondContact O-N 3.49Å |
| 881 | M | 80.7 | Confident | 87 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -36.9 | 169.9 | -69.1 | -66.8 | -75.1 | 0 | 0 | 112.5 | E877 V878 K884 L885 | E877-M881 WeakPolarHBondContact O-CB 3.41Å; E877-M881 VanDerWaalsContact O-CG 3.23Å; E877-M881 WeakPolarHBondContact O-CG 3.32Å; E877-M881 PolarHBondContact O-N 2.89Å; V878-M881 CarbonylContact O-C 3.44Å; V878-M881 PolarHBondContact O-N 2.87Å; M881-K884 PolarHBondContact O-N 2.6Å; M881-L885 WeakPolarHBondContact O-CB 3.25Å; M881-L885 PolarHBondContact O-N 3.47Å |
| 882 | E | 88.7 | Confident | 86.8 | Confident | 117 Ų | 117 | 103.4 Ų | 103.4 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 173.3 | -75.5 | 177.5 | 166 | 0 | 0 | 111.8 | V878 K879 L885 Q886 | V878-E882 HydrophobicContact CG1-CG 4.48Å; V878-E882 WeakPolarHBondContact O-CG 2.8Å; V878-E882 PolarHBondContact O-N 2.99Å; K879-E882 PolarHBondContact O-N 3.34Å; E882-L885 WeakPolarHBondContact O-CB 3.16Å; E882-L885 PolarHBondContact O-N 3.49Å; E882-Q886 PolarHBondContact O-N 2.82Å |
| 883 | K | 89.9 | Confident | 86.8 | Confident | 129 Ų | 129 | 100.8 Ų | 100.8 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -43.3 | 171.9 | -72 | 172.7 | -166.9 | 157.5 | 0 | 111.6 | K879 D880 L885 Q886 L887 | K879-K883 WeakPolarHBondContact O-CG 3.17Å; K879-K883 PolarHBondContact O-N 3.21Å; D880-K883 PolarHBondContact O-N 2.94Å; D880-K883 IonicContact OD1-NZ 3.97Å; D880-K883 PolarHBondContact OD1-NZ 2.6Å; D880-K883 VanDerWaalsContact OD1-NZ 3.07Å; K883-L885 VanDerWaalsContact C-N 3.32Å; K883-L885 PolarHBondContact O-N 3.39Å; K883-Q886 PolarHBondContact O-N 3.29Å; K883-L887 WeakPolarHBondContact O-CG 3.04Å; K883-L887 PolarHBondContact O-N 3.49Å |
| 884 | K | 83.3 | Confident | 86.9 | Confident | 85 Ų | 85 | 97 Ų | 97 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -40 | 174 | -75.1 | -172.9 | 176.3 | -163.4 | 0 | 111.2 | D880 M881 L887 L888 E1590 | D880-K884 WeakPolarHBondContact O-CG 3.2Å; D880-K884 PolarHBondContact O-N 3.49Å; M881-K884 PolarHBondContact O-N 2.6Å; K884-L887 PolarHBondContact O-N 2.87Å; K884-L888 WeakPolarHBondContact O-CB 3.09Å; K884-L888 VanDerWaalsContact O-CG 3.28Å; K884-L888 WeakPolarHBondContact O-CG 3.4Å; K884-L888 PolarHBondContact O-N 3.49Å; K884-E1590 VanDerWaalsContact NZ-CD 3.28Å; K884-E1590 IonicContact NZ-OE1 3.19Å; K884-E1590 PolarHBondContact NZ-OE1 3.06Å; K884-E1590 IonicContact NZ-OE2 3.66Å; K884-E1590 PolarHBondContact NZ-OE2 3.07Å; K884-E1590 VanDerWaalsContact NZ-OE2 3.07Å |
| 885 | L | 86.2 | Confident | 86.6 | Confident | 112 Ų | 112 | 97.3 Ų | 97.3 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 174.4 | -175.6 | 68.4 | 0 | 0 | 0 | 112.3 | M881 E882 K883 L888 T889 | M881-L885 WeakPolarHBondContact O-CB 3.25Å; M881-L885 PolarHBondContact O-N 3.47Å; E882-L885 WeakPolarHBondContact O-CB 3.16Å; E882-L885 PolarHBondContact O-N 3.49Å; K883-L885 VanDerWaalsContact C-N 3.32Å; K883-L885 PolarHBondContact O-N 3.39Å; L885-L888 PolarHBondContact O-N 3.08Å; L885-T889 WeakPolarHBondContact O-CB 3.23Å; L885-T889 PolarHBondContact O-N 3.46Å; L885-T889 PolarHBondContact O-OG1 3.48Å |
| 886 | Q | 91.2 | Very high | 86.3 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 175.2 | -174.2 | 61.2 | 43.2 | 0 | 0 | 111.2 | E882 K883 L888 T889 D890 | E882-Q886 PolarHBondContact O-N 2.82Å; K883-Q886 PolarHBondContact O-N 3.29Å; Q886-L888 VanDerWaalsContact C-N 3.34Å; Q886-L888 PolarHBondContact O-N 2.82Å; Q886-T889 CarbonylContact O-C 3.59Å; Q886-T889 WeakPolarHBondContact O-CA 3.26Å; Q886-T889 WeakPolarHBondContact O-CB 3.2Å; Q886-T889 PolarHBondContact O-N 3.33Å; Q886-D890 PolarHBondContact NE2-OD1 3.48Å; Q886-D890 VanDerWaalsContact O-CG 3.3Å; Q886-D890 PolarHBondContact O-N 2.83Å |
| 887 | L | 86.1 | Confident | 86.2 | Confident | 107 Ų | 107 | 99 Ų | 99 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.3 | -45.1 | 174.2 | -71.8 | 170.7 | 0 | 0 | 0 | 111.7 | K883 K884 T889 D890 E891 | K883-L887 WeakPolarHBondContact O-CG 3.04Å; K883-L887 PolarHBondContact O-N 3.49Å; K884-L887 PolarHBondContact O-N 2.87Å; L887-T889 VanDerWaalsContact C-N 3.26Å; L887-T889 PolarHBondContact O-N 2.89Å; L887-D890 PolarHBondContact O-N 2.94Å; L887-E891 WeakPolarHBondContact O-CG 3.44Å; L887-E891 PolarHBondContact O-N 3.41Å |
| 888 | L | 80.8 | Confident | 86.1 | Confident | 104 Ų | 104 | 98.9 Ų | 98.9 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -30.5 | 174.6 | -71.9 | 171.6 | 0 | 0 | 0 | 112.8 | K884 L885 Q886 K892 | K884-L888 WeakPolarHBondContact O-CB 3.09Å; K884-L888 VanDerWaalsContact O-CG 3.28Å; K884-L888 WeakPolarHBondContact O-CG 3.4Å; K884-L888 PolarHBondContact O-N 3.49Å; L885-L888 PolarHBondContact O-N 3.08Å; Q886-L888 VanDerWaalsContact C-N 3.34Å; Q886-L888 PolarHBondContact O-N 2.82Å; L888-K892 VanDerWaalsContact O-CB 3.31Å; L888-K892 WeakPolarHBondContact O-CB 3.3Å; L888-K892 PolarHBondContact O-N 2.89Å |
| 889 | T | 89.6 | Confident | 85.7 | Confident | 61 Ų | 61 | 99.6 Ų | 99.6 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.8 | -41.3 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | L885 Q886 L887 K892 T893 | L885-T889 WeakPolarHBondContact O-CB 3.23Å; L885-T889 PolarHBondContact O-N 3.46Å; L885-T889 PolarHBondContact O-OG1 3.48Å; Q886-T889 CarbonylContact O-C 3.59Å; Q886-T889 WeakPolarHBondContact O-CA 3.26Å; Q886-T889 WeakPolarHBondContact O-CB 3.2Å; Q886-T889 PolarHBondContact O-N 3.33Å; L887-T889 VanDerWaalsContact C-N 3.26Å; L887-T889 PolarHBondContact O-N 2.89Å; T889-K892 WeakPolarHBondContact O-CB 3.23Å; T889-K892 PolarHBondContact O-N 3.28Å; T889-T893 WeakPolarHBondContact O-CG2 3.26Å; T889-T893 PolarHBondContact O-N 2.73Å |
| 890 | D | 88.7 | Confident | 85.5 | Confident | 72 Ų | 72 | 100.6 Ų | 100.6 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.1 | -61.8 | -14.4 | 0 | 0 | 0 | 110.4 | Q886 L887 K892 T893 V894 | Q886-D890 PolarHBondContact NE2-OD1 3.48Å; Q886-D890 VanDerWaalsContact O-CG 3.3Å; Q886-D890 PolarHBondContact O-N 2.83Å; L887-D890 PolarHBondContact O-N 2.94Å; D890-K892 VanDerWaalsContact C-N 3.31Å; D890-K892 PolarHBondContact O-N 3.44Å; D890-T893 WeakPolarHBondContact CA-OG1 3.14Å; D890-T893 PolarHBondContact O-N 2.96Å; D890-T893 PolarHBondContact O-OG1 3.49Å; D890-V894 WeakPolarHBondContact O-CG2 3.28Å; D890-V894 PolarHBondContact O-N 3.03Å |
| 891 | E | 81.8 | Confident | 85.6 | Confident | 119 Ų | 119 | 99.9 Ų | 99.9 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -40.8 | 171.7 | -75.5 | -178.9 | 179.1 | 0 | 0 | 112.1 | L887 T893 V894 L895 | L887-E891 WeakPolarHBondContact O-CG 3.44Å; L887-E891 PolarHBondContact O-N 3.41Å; E891-T893 VanDerWaalsContact C-N 3.31Å; E891-T893 PolarHBondContact O-N 3.01Å; E891-V894 PolarHBondContact O-N 3.2Å; E891-L895 WeakPolarHBondContact O-CB 2.83Å; E891-L895 WeakPolarHBondContact O-CG 3.25Å; E891-L895 PolarHBondContact O-N 3.17Å |
| 892 | K | 85.3 | Confident | 85.5 | Confident | 152 Ų | 152 | 98.9 Ų | 98.9 | 66% | 0.661 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -37 | 173.7 | -179 | -173.4 | 174.9 | -172.4 | 0 | 111.9 | L888 T889 D890 A896 | L888-K892 VanDerWaalsContact O-CB 3.31Å; L888-K892 WeakPolarHBondContact O-CB 3.3Å; L888-K892 PolarHBondContact O-N 2.89Å; T889-K892 WeakPolarHBondContact O-CB 3.23Å; T889-K892 PolarHBondContact O-N 3.28Å; D890-K892 VanDerWaalsContact C-N 3.31Å; D890-K892 PolarHBondContact O-N 3.44Å; K892-A896 WeakPolarHBondContact O-CB 3.16Å; K892-A896 PolarHBondContact O-N 3.32Å |
| 893 | T | 89.8 | Confident | 85.2 | Confident | 73 Ų | 73 | 96 Ų | 96 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 175.3 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | T889 D890 E891 L895 A896 E897 | T889-T893 WeakPolarHBondContact O-CG2 3.26Å; T889-T893 PolarHBondContact O-N 2.73Å; D890-T893 WeakPolarHBondContact CA-OG1 3.14Å; D890-T893 PolarHBondContact O-N 2.96Å; D890-T893 PolarHBondContact O-OG1 3.49Å; E891-T893 VanDerWaalsContact C-N 3.31Å; E891-T893 PolarHBondContact O-N 3.01Å; T893-L895 VanDerWaalsContact C-N 3.33Å; T893-L895 PolarHBondContact O-N 2.77Å; T893-A896 WeakPolarHBondContact O-CB 3.29Å; T893-A896 PolarHBondContact O-N 2.61Å; T893-A896 VanDerWaalsContact O-N 3.08Å; T893-E897 PolarHBondContact O-N 2.75Å |
| 894 | V | 87.9 | Confident | 85.1 | Confident | 72 Ų | 72 | 95 Ų | 95 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 173.7 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | D890 E891 A896 E897 Q898 | D890-V894 WeakPolarHBondContact O-CG2 3.28Å; D890-V894 PolarHBondContact O-N 3.03Å; E891-V894 PolarHBondContact O-N 3.2Å; V894-A896 VanDerWaalsContact C-N 3.31Å; V894-A896 PolarHBondContact O-N 3.36Å; V894-E897 PolarHBondContact O-N 3.47Å; V894-Q898 WeakPolarHBondContact O-CG 3.37Å; V894-Q898 PolarHBondContact O-N 2.96Å |
| 895 | L | 79.7 | Confident | 85.1 | Confident | 110 Ų | 110 | 93.5 Ų | 93.5 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -34.6 | 173.7 | -77.9 | 167.9 | 0 | 0 | 0 | 112.6 | E891 T893 L899 | E891-L895 WeakPolarHBondContact O-CB 2.83Å; E891-L895 WeakPolarHBondContact O-CG 3.25Å; E891-L895 PolarHBondContact O-N 3.17Å; T893-L895 VanDerWaalsContact C-N 3.33Å; T893-L895 PolarHBondContact O-N 2.77Å; L895-L899 VanDerWaalsContact O-CB 3.29Å; L895-L899 WeakPolarHBondContact O-CB 3.32Å; L895-L899 PolarHBondContact O-N 3.43Å |
| 896 | A | 84.8 | Confident | 84.7 | Confident | 55 Ų | 55 | 91.5 Ų | 91.5 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K892 T893 V894 L899 Q900 | K892-A896 WeakPolarHBondContact O-CB 3.16Å; K892-A896 PolarHBondContact O-N 3.32Å; T893-A896 WeakPolarHBondContact O-CB 3.29Å; T893-A896 PolarHBondContact O-N 2.61Å; T893-A896 VanDerWaalsContact O-N 3.08Å; V894-A896 VanDerWaalsContact C-N 3.31Å; V894-A896 PolarHBondContact O-N 3.36Å; A896-L899 PolarHBondContact O-N 2.67Å; A896-Q900 PolarHBondContact O-N 3.36Å |
| 897 | E | 87.3 | Confident | 84.4 | Confident | 129 Ų | 129 | 88.7 Ų | 88.7 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 172.7 | -69.7 | 176.1 | 175.4 | 0 | 0 | 111.7 | T893 V894 L899 Q900 A901 | T893-E897 PolarHBondContact O-N 2.75Å; V894-E897 PolarHBondContact O-N 3.47Å; E897-L899 VanDerWaalsContact C-N 3.33Å; E897-L899 PolarHBondContact O-N 2.9Å; E897-Q900 PolarHBondContact O-N 3.38Å; E897-A901 PolarHBondContact O-N 2.95Å |
| 898 | Q | 81.4 | Confident | 84.4 | Confident | 107 Ų | 107 | 90 Ų | 90 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 173.3 | -73.7 | 178.1 | -2.7 | 0 | 0 | 111.8 | V894 Q900 A901 E902 | V894-Q898 WeakPolarHBondContact O-CG 3.37Å; V894-Q898 PolarHBondContact O-N 2.96Å; Q898-Q900 VanDerWaalsContact C-N 3.31Å; Q898-Q900 PolarHBondContact O-N 2.74Å; Q898-A901 PolarHBondContact O-N 3.31Å; Q898-E902 WeakPolarHBondContact O-CB 3.41Å; Q898-E902 WeakPolarHBondContact O-CG 3.33Å; Q898-E902 PolarHBondContact O-N 2.75Å |
| 899 | L | 80.2 | Confident | 84.5 | Confident | 91 Ų | 91 | 87.4 Ų | 87.4 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 175.2 | -179 | 66.3 | 0 | 0 | 0 | 111.8 | L895 A896 E897 A903 | L895-L899 VanDerWaalsContact O-CB 3.29Å; L895-L899 WeakPolarHBondContact O-CB 3.32Å; L895-L899 PolarHBondContact O-N 3.43Å; A896-L899 PolarHBondContact O-N 2.67Å; E897-L899 VanDerWaalsContact C-N 3.33Å; E897-L899 PolarHBondContact O-N 2.9Å; L899-A903 WeakPolarHBondContact O-CB 2.98Å; L899-A903 PolarHBondContact O-N 3.06Å |
| 900 | Q | 87 | Confident | 83.9 | Confident | 120 Ų | 120 | 86.7 Ų | 86.7 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.6 | -45.4 | 174.7 | -175.1 | 178.7 | -21.9 | 0 | 0 | 111.3 | A896 E897 Q898 E902 A903 E904 | A896-Q900 PolarHBondContact O-N 3.36Å; E897-Q900 PolarHBondContact O-N 3.38Å; Q898-Q900 VanDerWaalsContact C-N 3.31Å; Q898-Q900 PolarHBondContact O-N 2.74Å; Q900-E902 VanDerWaalsContact C-N 3.34Å; Q900-E902 PolarHBondContact O-N 2.81Å; Q900-A903 WeakPolarHBondContact O-CB 3.31Å; Q900-A903 PolarHBondContact O-N 3.3Å; Q900-A903 VanDerWaalsContact O-N 3.13Å; Q900-E904 PolarHBondContact NE2-OE1 2.92Å; Q900-E904 VanDerWaalsContact NE2-OE1 3.14Å; Q900-E904 WeakPolarHBondContact O-CG 3.22Å; Q900-E904 PolarHBondContact O-N 3.49Å |
| 901 | A | 86.5 | Confident | 83.8 | Confident | 55 Ų | 55 | 88.6 Ų | 88.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E897 Q898 E904 A905 | E897-A901 PolarHBondContact O-N 2.95Å; Q898-A901 PolarHBondContact O-N 3.31Å; A901-E904 PolarHBondContact O-N 3.01Å; A901-A905 WeakPolarHBondContact O-CB 2.98Å; A901-A905 PolarHBondContact O-N 2.95Å |
| 902 | E | 80 | Confident | 83.9 | Confident | 99 Ų | 99 | 88 Ų | 88 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 172.2 | -77.8 | -172.7 | 174.9 | 0 | 0 | 112 | Q898 Q900 A905 C906 | Q898-E902 WeakPolarHBondContact O-CB 3.41Å; Q898-E902 WeakPolarHBondContact O-CG 3.33Å; Q898-E902 PolarHBondContact O-N 2.75Å; Q900-E902 VanDerWaalsContact C-N 3.34Å; Q900-E902 PolarHBondContact O-N 2.81Å; E902-A905 PolarHBondContact O-N 3.42Å; E902-C906 WeakPolarHBondContact O-CB 3.11Å; E902-C906 PolarHBondContact O-N 3.36Å; E902-C906 PolarHBondContact O-SG 3.34Å |
| 903 | A | 81.8 | Confident | 83.6 | Confident | 56 Ų | 56 | 87.7 Ų | 87.7 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L899 Q900 C906 A907 | L899-A903 WeakPolarHBondContact O-CB 2.98Å; L899-A903 PolarHBondContact O-N 3.06Å; Q900-A903 WeakPolarHBondContact O-CB 3.31Å; Q900-A903 PolarHBondContact O-N 3.3Å; Q900-A903 VanDerWaalsContact O-N 3.13Å; A903-C906 PolarHBondContact O-N 2.98Å; A903-A907 PolarHBondContact O-N 3.29Å |
| 904 | E | 87.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 86.4 Ų | 86.4 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 173.4 | -71.5 | 171.1 | -168 | 0 | 0 | 111 | Q900 A901 C906 A907 E908 | Q900-E904 PolarHBondContact NE2-OE1 2.92Å; Q900-E904 VanDerWaalsContact NE2-OE1 3.14Å; Q900-E904 WeakPolarHBondContact O-CG 3.22Å; Q900-E904 PolarHBondContact O-N 3.49Å; A901-E904 PolarHBondContact O-N 3.01Å; E904-C906 VanDerWaalsContact C-N 3.32Å; E904-C906 PolarHBondContact O-N 3.14Å; E904-A907 WeakPolarHBondContact O-CB 2.86Å; E904-A907 PolarHBondContact O-N 2.91Å; E904-A907 VanDerWaalsContact O-N 3.16Å; E904-E908 PolarHBondContact O-N 3.46Å |
| 905 | A | 83.8 | Confident | 83.4 | Confident | 54 Ų | 54 | 89.4 Ų | 89.4 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | A901 E902 A909 | A901-A905 WeakPolarHBondContact O-CB 2.98Å; A901-A905 PolarHBondContact O-N 2.95Å; E902-A905 PolarHBondContact O-N 3.42Å; A905-A909 VanDerWaalsContact O-CB 3.31Å; A905-A909 WeakPolarHBondContact O-CB 3.23Å; A905-A909 PolarHBondContact O-N 2.93Å |
| 906 | C | 78.7 | Confident | 83.6 | Confident | 69 Ų | 69 | 89 Ų | 89 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 173 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | E902 A903 E904 A909 E910 | E902-C906 WeakPolarHBondContact O-CB 3.11Å; E902-C906 PolarHBondContact O-N 3.36Å; E902-C906 PolarHBondContact O-SG 3.34Å; A903-C906 PolarHBondContact O-N 2.98Å; E904-C906 VanDerWaalsContact C-N 3.32Å; E904-C906 PolarHBondContact O-N 3.14Å; C906-A909 PolarHBondContact O-N 3.35Å; C906-E910 WeakPolarHBondContact O-CB 3.43Å; C906-E910 PolarHBondContact O-N 3.11Å |
| 907 | A | 84.2 | Confident | 83.5 | Confident | 49 Ų | 49 | 91 Ų | 91 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A903 E904 A909 E910 E911 | A903-A907 PolarHBondContact O-N 3.29Å; E904-A907 WeakPolarHBondContact O-CB 2.86Å; E904-A907 PolarHBondContact O-N 2.91Å; E904-A907 VanDerWaalsContact O-N 3.16Å; A907-A909 PolarHBondContact O-N 3.36Å; A907-E910 PolarHBondContact O-N 2.75Å; A907-E911 WeakPolarHBondContact O-CB 3.2Å; A907-E911 PolarHBondContact O-N 3.48Å |
| 908 | E | 86.5 | Confident | 83.5 | Confident | 135 Ų | 135 | 90.4 Ų | 90.4 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 173.8 | -71.1 | -177.7 | 177.2 | 0 | 0 | 112.1 | E904 E911 M912 | E904-E908 PolarHBondContact O-N 3.46Å; E908-E911 PolarHBondContact O-N 2.94Å; E908-M912 WeakPolarHBondContact O-CB 3.26Å; E908-M912 PolarHBondContact O-N 2.94Å |
| 909 | A | 81.3 | Confident | 83.8 | Confident | 49 Ų | 49 | 91.6 Ų | 91.6 | 41% | 0.405 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A905 C906 A907 M912 R913 | A905-A909 VanDerWaalsContact O-CB 3.31Å; A905-A909 WeakPolarHBondContact O-CB 3.23Å; A905-A909 PolarHBondContact O-N 2.93Å; C906-A909 PolarHBondContact O-N 3.35Å; A907-A909 PolarHBondContact O-N 3.36Å; A909-M912 PolarHBondContact O-N 3.49Å; A909-R913 VanDerWaalsContact O-CG 3.31Å; A909-R913 WeakPolarHBondContact O-CG 3.39Å; A909-R913 PolarHBondContact O-N 2.93Å |
| 910 | E | 78.8 | Confident | 84 | Confident | 46 Ų | 46 | 90.5 Ų | 90.5 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 176.1 | -170.5 | 65 | -170.1 | 0 | 0 | 110.9 | C906 A907 M912 R913 V914 | C906-E910 WeakPolarHBondContact O-CB 3.43Å; C906-E910 PolarHBondContact O-N 3.11Å; A907-E910 PolarHBondContact O-N 2.75Å; E910-M912 VanDerWaalsContact C-N 3.33Å; E910-M912 PolarHBondContact O-N 3.38Å; E910-R913 PolarHBondContact O-N 3.03Å; E910-R913 IonicContact OE2-NH1 3.04Å; E910-V914 WeakPolarHBondContact O-CG2 3.02Å; E910-V914 PolarHBondContact O-N 2.89Å |
| 911 | E | 84.8 | Confident | 83.9 | Confident | 111 Ų | 111 | 89.4 Ų | 89.4 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 172.4 | -159.4 | -158.8 | 129.3 | 0 | 0 | 111.3 | A907 E908 R913 V914 R915 | A907-E911 WeakPolarHBondContact O-CB 3.2Å; A907-E911 PolarHBondContact O-N 3.48Å; E908-E911 PolarHBondContact O-N 2.94Å; E911-R913 PolarHBondContact O-N 2.92Å; E911-V914 PolarHBondContact O-N 2.83Å; E911-R915 WeakPolarHBondContact O-CG 3.43Å; E911-R915 PolarHBondContact O-N 3.01Å; E911-R915 IonicContact OE1-CZ 3.31Å; E911-R915 VanDerWaalsContact OE1-CZ 3.3Å; E911-R915 IonicContact OE1-NE 3.07Å; E911-R915 PolarHBondContact OE1-NE 3.23Å; E911-R915 VanDerWaalsContact OE1-NE 3.07Å; E911-R915 IonicContact OE1-NH2 3.25Å; E911-R915 PolarHBondContact OE1-NH2 3.39Å; E911-R915 IonicContact OE2-NH2 2.91Å |
| 912 | M | 84.2 | Confident | 84 | Confident | 107 Ų | 107 | 91.1 Ų | 91.1 | 53% | 0.527 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 173.8 | -174.2 | -178.9 | -69.1 | 0 | 0 | 111.9 | E908 A909 E910 R915 L916 | E908-M912 WeakPolarHBondContact O-CB 3.26Å; E908-M912 PolarHBondContact O-N 2.94Å; A909-M912 PolarHBondContact O-N 3.49Å; E910-M912 VanDerWaalsContact C-N 3.33Å; E910-M912 PolarHBondContact O-N 3.38Å; M912-R915 PolarHBondContact O-N 3.37Å; M912-L916 HydrophobicContact CG-CD1 4.24Å; M912-L916 WeakPolarHBondContact O-CB 3.05Å; M912-L916 WeakPolarHBondContact O-CG 3.05Å; M912-L916 PolarHBondContact O-N 3.27Å |
| 913 | R | 80.4 | Confident | 84.2 | Confident | 145 Ų | 145 | 90.4 Ų | 90.4 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 176.2 | -73.3 | 177.9 | 92.1 | -156.1 | 3.1 | 111.9 | A909 E910 E911 L916 L917 | A909-R913 VanDerWaalsContact O-CG 3.31Å; A909-R913 WeakPolarHBondContact O-CG 3.39Å; A909-R913 PolarHBondContact O-N 2.93Å; E910-R913 PolarHBondContact O-N 3.03Å; E910-R913 IonicContact OE2-NH1 3.04Å; E911-R913 PolarHBondContact O-N 2.92Å; R913-L916 PolarHBondContact O-N 3.19Å; R913-L917 WeakPolarHBondContact O-CB 3.42Å; R913-L917 PolarHBondContact O-N 2.95Å |
| 914 | V | 85.4 | Confident | 84.3 | Confident | 46 Ų | 46 | 92.6 Ų | 92.6 | 28% | 0.279 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | E910 E911 L916 L917 Q918 | E910-V914 WeakPolarHBondContact O-CG2 3.02Å; E910-V914 PolarHBondContact O-N 2.89Å; E911-V914 PolarHBondContact O-N 2.83Å; V914-L916 PolarHBondContact O-N 3.09Å; V914-L917 PolarHBondContact O-N 3.01Å; V914-Q918 WeakPolarHBondContact O-CG 3.45Å; V914-Q918 PolarHBondContact O-N 3.3Å |
| 915 | R | 87 | Confident | 84.3 | Confident | 136 Ų | 136 | 91.3 Ų | 91.3 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 173.8 | -75.2 | -169.9 | -111.8 | 145.2 | -4.3 | 112.3 | E911 M912 Q918 R919 | E911-R915 WeakPolarHBondContact O-CG 3.43Å; E911-R915 PolarHBondContact O-N 3.01Å; E911-R915 IonicContact OE1-CZ 3.31Å; E911-R915 VanDerWaalsContact OE1-CZ 3.3Å; E911-R915 IonicContact OE1-NE 3.07Å; E911-R915 PolarHBondContact OE1-NE 3.23Å; E911-R915 VanDerWaalsContact OE1-NE 3.07Å; E911-R915 IonicContact OE1-NH2 3.25Å; E911-R915 PolarHBondContact OE1-NH2 3.39Å; E911-R915 IonicContact OE2-NH2 2.91Å; M912-R915 PolarHBondContact O-N 3.37Å; R915-Q918 PolarHBondContact O-N 3.24Å; R915-R919 WeakPolarHBondContact O-CB 3.5Å; R915-R919 PolarHBondContact O-N 3.18Å |
| 916 | L | 83.9 | Confident | 84.4 | Confident | 102 Ų | 102 | 93.6 Ų | 93.6 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 176.2 | -73.5 | 172.3 | 0 | 0 | 0 | 112.7 | M912 R913 V914 R919 T920 | M912-L916 HydrophobicContact CG-CD1 4.24Å; M912-L916 WeakPolarHBondContact O-CB 3.05Å; M912-L916 WeakPolarHBondContact O-CG 3.05Å; M912-L916 PolarHBondContact O-N 3.27Å; R913-L916 PolarHBondContact O-N 3.19Å; V914-L916 PolarHBondContact O-N 3.09Å; L916-R919 PolarHBondContact O-N 3.29Å; L916-T920 WeakPolarHBondContact O-CB 3.11Å; L916-T920 PolarHBondContact O-N 2.81Å; L916-T920 PolarHBondContact O-OG1 2.93Å |
| 917 | L | 83.3 | Confident | 84.6 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 174.7 | -175 | 68.9 | 0 | 0 | 0 | 110.8 | R913 V914 R919 T920 Q921 | R913-L917 WeakPolarHBondContact O-CB 3.42Å; R913-L917 PolarHBondContact O-N 2.95Å; V914-L917 PolarHBondContact O-N 3.01Å; L917-R919 VanDerWaalsContact C-N 3.33Å; L917-R919 PolarHBondContact O-N 2.75Å; L917-T920 WeakPolarHBondContact O-CB 3.4Å; L917-T920 PolarHBondContact O-N 2.8Å; L917-T920 VanDerWaalsContact O-N 3.14Å; L917-Q921 PolarHBondContact O-N 2.99Å |
| 918 | Q | 87.4 | Confident | 84.7 | Confident | 118 Ų | 118 | 96.9 Ų | 96.9 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57.7 | -45.7 | 172.5 | -72.8 | 175.5 | -12 | 0 | 0 | 111.3 | V914 R915 T920 Q921 E922 | V914-Q918 WeakPolarHBondContact O-CG 3.45Å; V914-Q918 PolarHBondContact O-N 3.3Å; R915-Q918 PolarHBondContact O-N 3.24Å; Q918-T920 VanDerWaalsContact C-N 3.28Å; Q918-T920 PolarHBondContact O-N 3.37Å; Q918-Q921 WeakPolarHBondContact O-CB 3.08Å; Q918-Q921 PolarHBondContact O-N 3.29Å; Q918-E922 WeakPolarHBondContact O-CG 3.4Å; Q918-E922 PolarHBondContact O-N 3.1Å |
| 919 | R | 86.8 | Confident | 84.7 | Confident | 132 Ų | 132 | 94.5 Ų | 94.5 | 50% | 0.498 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -33 | 176.7 | -170.4 | 56.5 | 172.9 | 174.3 | 2.6 | 113 | R915 L916 L917 E922 L923 | R915-R919 WeakPolarHBondContact O-CB 3.5Å; R915-R919 PolarHBondContact O-N 3.18Å; L916-R919 PolarHBondContact O-N 3.29Å; L917-R919 VanDerWaalsContact C-N 3.33Å; L917-R919 PolarHBondContact O-N 2.75Å; R919-E922 VanDerWaalsContact CD-OE2 3.24Å; R919-E922 WeakPolarHBondContact CD-OE2 3.27Å; R919-E922 IonicContact CZ-OE2 3.18Å; R919-E922 IonicContact NE-OE2 3.76Å; R919-E922 IonicContact NH1-OE2 3.69Å; R919-E922 PolarHBondContact NH1-OE2 3.4Å; R919-L923 HydrophobicContact CG-CD1 4.44Å; R919-L923 WeakPolarHBondContact O-CB 3.27Å; R919-L923 VanDerWaalsContact O-CG 3.27Å; R919-L923 WeakPolarHBondContact O-CG 3.3Å; R919-L923 PolarHBondContact O-N 3.45Å |
| 920 | T | 84.2 | Confident | 84.7 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | L916 L917 Q918 L923 Q924 | L916-T920 WeakPolarHBondContact O-CB 3.11Å; L916-T920 PolarHBondContact O-N 2.81Å; L916-T920 PolarHBondContact O-OG1 2.93Å; L917-T920 WeakPolarHBondContact O-CB 3.4Å; L917-T920 PolarHBondContact O-N 2.8Å; L917-T920 VanDerWaalsContact O-N 3.14Å; Q918-T920 VanDerWaalsContact C-N 3.28Å; Q918-T920 PolarHBondContact O-N 3.37Å; T920-L923 PolarHBondContact O-N 3.36Å; T920-Q924 WeakPolarHBondContact O-CG 3.44Å; T920-Q924 PolarHBondContact O-N 2.83Å |
| 921 | Q | 85.5 | Confident | 84.9 | Confident | 97 Ų | 97 | 101.7 Ų | 101.7 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 173.3 | -172.9 | 63.9 | 46.8 | 0 | 0 | 111.1 | L917 Q918 L923 Q924 D925 | L917-Q921 PolarHBondContact O-N 2.99Å; Q918-Q921 WeakPolarHBondContact O-CB 3.08Å; Q918-Q921 PolarHBondContact O-N 3.29Å; Q921-L923 VanDerWaalsContact C-N 3.29Å; Q921-L923 PolarHBondContact O-N 2.79Å; Q921-Q924 WeakPolarHBondContact O-CB 3.3Å; Q921-Q924 PolarHBondContact O-N 2.73Å; Q921-Q924 VanDerWaalsContact O-N 3.12Å; Q921-D925 PolarHBondContact NE2-OD1 3.46Å; Q921-D925 VanDerWaalsContact O-CG 3.24Å; Q921-D925 PolarHBondContact O-N 3.3Å |
| 922 | E | 88.5 | Confident | 85 | Confident | 90 Ų | 90 | 99.2 Ų | 99.2 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.1 | -41.1 | 175.2 | -70.4 | 172.9 | -178.1 | 0 | 0 | 112.4 | Q918 R919 D925 H926 | Q918-E922 WeakPolarHBondContact O-CG 3.4Å; Q918-E922 PolarHBondContact O-N 3.1Å; R919-E922 VanDerWaalsContact CD-OE2 3.24Å; R919-E922 WeakPolarHBondContact CD-OE2 3.27Å; R919-E922 IonicContact CZ-OE2 3.18Å; R919-E922 IonicContact NE-OE2 3.76Å; R919-E922 IonicContact NH1-OE2 3.69Å; R919-E922 PolarHBondContact NH1-OE2 3.4Å; E922-D925 PolarHBondContact O-N 3.3Å; E922-H926 PolarHBondContact O-CD2 3.06Å; E922-H926 PolarHBondContact O-N 3.11Å |
| 923 | L | 84.5 | Confident | 85 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 45% | 0.445 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.8 | -33 | 177.3 | -73.3 | 172.4 | 0 | 0 | 0 | 112.9 | R919 T920 Q921 L927 | R919-L923 HydrophobicContact CG-CD1 4.44Å; R919-L923 WeakPolarHBondContact O-CB 3.27Å; R919-L923 VanDerWaalsContact O-CG 3.27Å; R919-L923 WeakPolarHBondContact O-CG 3.3Å; R919-L923 PolarHBondContact O-N 3.45Å; T920-L923 PolarHBondContact O-N 3.36Å; Q921-L923 VanDerWaalsContact C-N 3.29Å; Q921-L923 PolarHBondContact O-N 2.79Å; L923-L927 WeakPolarHBondContact O-CB 3.36Å; L923-L927 WeakPolarHBondContact O-CG 3.44Å; L923-L927 PolarHBondContact O-N 3.27Å |
| 924 | Q | 84.5 | Confident | 85 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 172.2 | -77.2 | 176.9 | -18.6 | 0 | 0 | 111 | T920 Q921 H926 L927 T928 | T920-Q924 WeakPolarHBondContact O-CG 3.44Å; T920-Q924 PolarHBondContact O-N 2.83Å; Q921-Q924 WeakPolarHBondContact O-CB 3.3Å; Q921-Q924 PolarHBondContact O-N 2.73Å; Q921-Q924 VanDerWaalsContact O-N 3.12Å; Q924-H926 VanDerWaalsContact C-N 3.33Å; Q924-H926 PolarHBondContact O-N 2.95Å; Q924-L927 PolarHBondContact O-N 3.04Å; Q924-T928 WeakPolarHBondContact O-CG2 3.47Å; Q924-T928 PolarHBondContact O-N 3.43Å; Q924-T928 PolarHBondContact O-OG1 3.41Å |
| 925 | D | 87.5 | Confident | 84.9 | Confident | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 175 | -62.9 | -11.6 | 0 | 0 | 0 | 110.4 | Q921 E922 T928 E929 | Q921-D925 PolarHBondContact NE2-OD1 3.46Å; Q921-D925 VanDerWaalsContact O-CG 3.24Å; Q921-D925 PolarHBondContact O-N 3.3Å; E922-D925 PolarHBondContact O-N 3.3Å; D925-T928 WeakPolarHBondContact CA-OG1 3.42Å; D925-T928 PolarHBondContact O-N 3.03Å; D925-T928 PolarHBondContact O-OG1 3.29Å; D925-E929 WeakPolarHBondContact O-CB 3.47Å; D925-E929 PolarHBondContact O-N 3.39Å |
| 926 | H | 84.2 | Confident | 84.8 | Confident | 102 Ų | 102 | 100 Ų | 100 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 172.7 | -75.4 | -50 | 0 | 0 | 0 | 114.3 | E922 Q924 E929 M930 | E922-H926 PolarHBondContact O-CD2 3.06Å; E922-H926 PolarHBondContact O-N 3.11Å; Q924-H926 VanDerWaalsContact C-N 3.33Å; Q924-H926 PolarHBondContact O-N 2.95Å; H926-E929 IonicContact ND1-OE2 3.15Å; H926-M930 WeakPolarHBondContact O-CB 3.43Å; H926-M930 VanDerWaalsContact O-CG 3.32Å; H926-M930 WeakPolarHBondContact O-CG 3.35Å; H926-M930 PolarHBondContact O-N 3.44Å |
| 927 | L | 82.9 | Confident | 84.4 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 56% | 0.56 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 175.9 | -83.3 | 169.6 | 0 | 0 | 0 | 111.1 | L923 Q924 E929 M930 E931 | L923-L927 WeakPolarHBondContact O-CB 3.36Å; L923-L927 WeakPolarHBondContact O-CG 3.44Å; L923-L927 PolarHBondContact O-N 3.27Å; Q924-L927 PolarHBondContact O-N 3.04Å; L927-E929 VanDerWaalsContact C-N 3.32Å; L927-E929 PolarHBondContact O-N 3.41Å; L927-M930 PolarHBondContact O-N 2.99Å; L927-M930 VanDerWaalsContact O-N 3.14Å; L927-E931 WeakPolarHBondContact O-CG 3.49Å; L927-E931 PolarHBondContact O-N 3.34Å |
| 928 | T | 86.8 | Confident | 84.2 | Confident | 80 Ų | 80 | 101.1 Ų | 101.1 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 175.5 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | Q924 D925 E931 S932 | Q924-T928 WeakPolarHBondContact O-CG2 3.47Å; Q924-T928 PolarHBondContact O-N 3.43Å; Q924-T928 PolarHBondContact O-OG1 3.41Å; D925-T928 WeakPolarHBondContact CA-OG1 3.42Å; D925-T928 PolarHBondContact O-N 3.03Å; D925-T928 PolarHBondContact O-OG1 3.29Å; T928-E931 PolarHBondContact O-N 3Å; T928-S932 WeakPolarHBondContact O-CB 3.49Å; T928-S932 PolarHBondContact O-N 3.01Å |
| 929 | E | 86.3 | Confident | 83.9 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 171.3 | -167.9 | -171.6 | 172.8 | 0 | 0 | 112.1 | D925 H926 L927 S932 R933 | D925-E929 WeakPolarHBondContact O-CB 3.47Å; D925-E929 PolarHBondContact O-N 3.39Å; H926-E929 IonicContact ND1-OE2 3.15Å; L927-E929 VanDerWaalsContact C-N 3.32Å; L927-E929 PolarHBondContact O-N 3.41Å; E929-S932 PolarHBondContact O-N 2.87Å; E929-R933 WeakPolarHBondContact O-CG 3.49Å; E929-R933 PolarHBondContact O-N 3.49Å; E929-R933 IonicContact OE1-CZ 3.59Å; E929-R933 IonicContact OE1-NE 3.56Å; E929-R933 IonicContact OE1-NH2 2.82Å; E929-R933 PolarHBondContact OE1-NH2 2.93Å |
| 930 | M | 81.7 | Confident | 83.8 | Confident | 118 Ų | 118 | 99.1 Ų | 99.1 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.9 | -36.5 | 177.2 | -74.9 | -67.2 | -161 | 0 | 0 | 113.2 | H926 L927 R933 L934 | H926-M930 WeakPolarHBondContact O-CB 3.43Å; H926-M930 VanDerWaalsContact O-CG 3.32Å; H926-M930 WeakPolarHBondContact O-CG 3.35Å; H926-M930 PolarHBondContact O-N 3.44Å; L927-M930 PolarHBondContact O-N 2.99Å; L927-M930 VanDerWaalsContact O-N 3.14Å; M930-R933 PolarHBondContact O-N 2.82Å; M930-L934 PolarHBondContact O-N 3.46Å |
| 931 | E | 84.1 | Confident | 83.4 | Confident | 128 Ų | 128 | 100 Ų | 100 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 171.9 | -75.3 | 175.5 | 167.2 | 0 | 0 | 110.5 | L927 T928 R933 L934 E935 | L927-E931 WeakPolarHBondContact O-CG 3.49Å; L927-E931 PolarHBondContact O-N 3.34Å; T928-E931 PolarHBondContact O-N 3Å; E931-R933 VanDerWaalsContact C-N 3.35Å; E931-R933 PolarHBondContact O-N 3.2Å; E931-L934 WeakPolarHBondContact O-CB 3.29Å; E931-L934 PolarHBondContact O-N 2.93Å; E931-L934 VanDerWaalsContact O-N 3.17Å; E931-E935 PolarHBondContact O-N 3.22Å |
| 932 | S | 85.8 | Confident | 83.1 | Confident | 59 Ų | 59 | 101.4 Ų | 101.4 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 112.6 | T928 E929 E935 E936 | T928-S932 WeakPolarHBondContact O-CB 3.49Å; T928-S932 PolarHBondContact O-N 3.01Å; E929-S932 PolarHBondContact O-N 2.87Å; S932-E935 PolarHBondContact O-N 3.42Å; S932-E936 WeakPolarHBondContact O-CG 3.4Å; S932-E936 PolarHBondContact O-N 2.79Å |
| 933 | R | 84.6 | Confident | 82.9 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 48% | 0.475 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 174.2 | -73.9 | 176.8 | -173.5 | -170.2 | 4 | 113.2 | E929 M930 E931 E937 | E929-R933 WeakPolarHBondContact O-CG 3.49Å; E929-R933 PolarHBondContact O-N 3.49Å; E929-R933 IonicContact OE1-CZ 3.59Å; E929-R933 IonicContact OE1-NE 3.56Å; E929-R933 IonicContact OE1-NH2 2.82Å; E929-R933 PolarHBondContact OE1-NH2 2.93Å; M930-R933 PolarHBondContact O-N 2.82Å; E931-R933 VanDerWaalsContact C-N 3.35Å; E931-R933 PolarHBondContact O-N 3.2Å; R933-E937 PolarHBondContact O-N 3.19Å |
| 934 | L | 80.6 | Confident | 82.7 | Confident | 102 Ų | 102 | 104.2 Ų | 104.2 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 175.2 | -177.2 | 66.6 | 0 | 0 | 0 | 110.2 | M930 E931 E937 E938 | M930-L934 PolarHBondContact O-N 3.46Å; E931-L934 WeakPolarHBondContact O-CB 3.29Å; E931-L934 PolarHBondContact O-N 2.93Å; E931-L934 VanDerWaalsContact O-N 3.17Å; L934-E937 PolarHBondContact O-N 2.64Å; L934-E938 WeakPolarHBondContact O-CG 3.46Å; L934-E938 PolarHBondContact O-N 3.15Å |
| 935 | E | 83.1 | Confident | 82.4 | Confident | 130 Ų | 130 | 101.1 Ų | 101.1 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 174.8 | -162.7 | 172.2 | -164.1 | 0 | 0 | 111.1 | E931 S932 E937 E938 D939 | E931-E935 PolarHBondContact O-N 3.22Å; S932-E935 PolarHBondContact O-N 3.42Å; E935-E937 PolarHBondContact O-N 2.75Å; E935-E938 PolarHBondContact O-N 2.92Å; E935-D939 WeakPolarHBondContact O-CB 3.41Å; E935-D939 PolarHBondContact O-N 2.6Å |
| 936 | E | 84.1 | Confident | 82.1 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 173.7 | -77.2 | -174.2 | -166.7 | 0 | 0 | 114 | S932 R940 | S932-E936 WeakPolarHBondContact O-CG 3.4Å; S932-E936 PolarHBondContact O-N 2.79Å; E936-R940 WeakPolarHBondContact O-CB 3.05Å; E936-R940 VanDerWaalsContact O-CG 3.29Å; E936-R940 WeakPolarHBondContact O-CG 2.91Å; E936-R940 PolarHBondContact O-N 2.83Å; E936-R940 IonicContact OE2-NH2 3.73Å; E936-R940 PolarHBondContact OE2-NH2 2.9Å |
| 937 | E | 76.5 | Confident | 82 | Confident | 104 Ų | 104 | 103.9 Ų | 103.9 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.1 | -35.9 | 176.7 | -82.4 | -69.2 | 138.5 | 0 | 0 | 112 | R933 L934 E935 R940 Y941 | R933-E937 PolarHBondContact O-N 3.19Å; L934-E937 PolarHBondContact O-N 2.64Å; E935-E937 PolarHBondContact O-N 2.75Å; E937-R940 PolarHBondContact O-N 2.95Å; E937-R940 IonicContact OE1-CZ 2.75Å; E937-R940 IonicContact OE1-NE 3.78Å; E937-R940 IonicContact OE1-NH1 3.93Å; E937-R940 PolarHBondContact OE1-NH1 3.33Å; E937-Y941 WeakPolarHBondContact O-CB 3.31Å; E937-Y941 PolarHBondContact O-N 3.44Å |
| 938 | E | 78.8 | Confident | 81.6 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 170.6 | -73.3 | 179.6 | 165.5 | 0 | 0 | 110.7 | L934 E935 R940 Y941 E942 | L934-E938 WeakPolarHBondContact O-CG 3.46Å; L934-E938 PolarHBondContact O-N 3.15Å; E935-E938 PolarHBondContact O-N 2.92Å; E938-R940 PolarHBondContact O-N 3.15Å; E938-Y941 PolarHBondContact O-N 3.18Å; E938-E942 PolarHBondContact O-N 2.95Å |
| 939 | D | 81.9 | Confident | 81.2 | Confident | 87 Ų | 87 | 108 Ų | 108 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 174.2 | -87.1 | 0.4 | 0 | 0 | 0 | 112.7 | E935 K943 | E935-D939 WeakPolarHBondContact O-CB 3.41Å; E935-D939 PolarHBondContact O-N 2.6Å; D939-K943 WeakPolarHBondContact O-CG 3.37Å; D939-K943 PolarHBondContact O-N 2.77Å |
| 940 | R | 83 | Confident | 81.1 | Confident | 121 Ų | 121 | 112.4 Ų | 112.4 | 46% | 0.457 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.5 | -78.1 | 175.9 | -144 | 178.6 | 1 | 111.4 | E936 E937 E938 K943 I944 | E936-R940 WeakPolarHBondContact O-CB 3.05Å; E936-R940 VanDerWaalsContact O-CG 3.29Å; E936-R940 WeakPolarHBondContact O-CG 2.91Å; E936-R940 PolarHBondContact O-N 2.83Å; E936-R940 IonicContact OE2-NH2 3.73Å; E936-R940 PolarHBondContact OE2-NH2 2.9Å; E937-R940 PolarHBondContact O-N 2.95Å; E937-R940 IonicContact OE1-CZ 2.75Å; E937-R940 IonicContact OE1-NE 3.78Å; E937-R940 IonicContact OE1-NH1 3.93Å; E937-R940 PolarHBondContact OE1-NH1 3.33Å; E938-R940 PolarHBondContact O-N 3.15Å; R940-K943 PolarHBondContact O-N 2.95Å; R940-I944 VanDerWaalsContact O-CG1 3.31Å; R940-I944 WeakPolarHBondContact O-CG1 3.15Å; R940-I944 PolarHBondContact O-N 3.17Å |
| 941 | Y | 75.6 | Confident | 80.9 | Confident | 85 Ų | 85 | 111.8 Ų | 111.8 | 33% | 0.333 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 178.1 | 179.9 | -96 | 0 | 0 | 0 | 111.7 | E937 E938 I944 C945 | E937-Y941 WeakPolarHBondContact O-CB 3.31Å; E937-Y941 PolarHBondContact O-N 3.44Å; E938-Y941 PolarHBondContact O-N 3.18Å; Y941-I944 PolarHBondContact O-N 3.47Å; Y941-C945 WeakPolarHBondContact O-CB 3.16Å; Y941-C945 PolarHBondContact O-N 3.42Å |
| 942 | E | 80.9 | Confident | 80.6 | Confident | 128 Ų | 128 | 109.6 Ų | 109.6 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 171.8 | -74.7 | -162.2 | 162 | 0 | 0 | 111.4 | E938 I944 C945 E946 | E938-E942 PolarHBondContact O-N 2.95Å; E942-I944 PolarHBondContact O-N 2.84Å; E942-C945 CarbonylContact O-C 3.44Å; E942-C945 WeakPolarHBondContact O-CB 2.93Å; E942-C945 PolarHBondContact O-N 3.38Å; E942-C945 VanDerWaalsContact O-N 3.17Å; E942-E946 PolarHBondContact O-N 3.43Å |
| 943 | K | 83.6 | Confident | 80.3 | Confident | 130 Ų | 130 | 112.7 Ų | 112.7 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.9 | -44.8 | 174.5 | -76.3 | 173.3 | -175.4 | 165.2 | 0 | 112.8 | D939 R940 C945 E946 E947 | D939-K943 WeakPolarHBondContact O-CG 3.37Å; D939-K943 PolarHBondContact O-N 2.77Å; R940-K943 PolarHBondContact O-N 2.95Å; K943-C945 VanDerWaalsContact C-N 3.31Å; K943-C945 PolarHBondContact O-N 3.45Å; K943-E946 PolarHBondContact O-N 2.99Å; K943-E947 WeakPolarHBondContact O-CB 3.21Å; K943-E947 WeakPolarHBondContact O-CG 3.35Å; K943-E947 PolarHBondContact O-N 3.02Å |
| 944 | I | 80.4 | Confident | 80.1 | Confident | 104 Ų | 104 | 110.9 Ų | 110.9 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 176.2 | -69.2 | 168 | 0 | 0 | 0 | 110.6 | R940 Y941 E942 R948 | R940-I944 VanDerWaalsContact O-CG1 3.31Å; R940-I944 WeakPolarHBondContact O-CG1 3.15Å; R940-I944 PolarHBondContact O-N 3.17Å; Y941-I944 PolarHBondContact O-N 3.47Å; E942-I944 PolarHBondContact O-N 2.84Å; I944-R948 VanDerWaalsContact O-CB 3.24Å; I944-R948 WeakPolarHBondContact O-CB 2.94Å; I944-R948 PolarHBondContact O-N 2.95Å |
| 945 | C | 77.8 | Confident | 80 | Confident | 36 Ų | 36 | 110.5 Ų | 110.5 | 24% | 0.243 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 174.8 | -85 | 0 | 0 | 0 | 0 | 112.7 | Y941 E942 K943 R949 | Y941-C945 WeakPolarHBondContact O-CB 3.16Å; Y941-C945 PolarHBondContact O-N 3.42Å; E942-C945 CarbonylContact O-C 3.44Å; E942-C945 WeakPolarHBondContact O-CB 2.93Å; E942-C945 PolarHBondContact O-N 3.38Å; E942-C945 VanDerWaalsContact O-N 3.17Å; K943-C945 VanDerWaalsContact C-N 3.31Å; K943-C945 PolarHBondContact O-N 3.45Å; C945-R949 WeakPolarHBondContact O-CB 3.25Å; C945-R949 PolarHBondContact O-N 3.3Å |
| 946 | E | 80.9 | Confident | 79.7 | Confident | 120 Ų | 120 | 108.8 Ų | 108.8 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.9 | -45 | 173.5 | -76 | -167.8 | 155 | 0 | 0 | 112.1 | E942 K943 R948 R949 R950 | E942-E946 PolarHBondContact O-N 3.43Å; K943-E946 PolarHBondContact O-N 2.99Å; E946-R948 VanDerWaalsContact C-N 3.34Å; E946-R949 WeakPolarHBondContact O-CB 2.82Å; E946-R949 PolarHBondContact O-N 3.49Å; E946-R950 PolarHBondContact O-N 3.42Å |
| 947 | E | 82.1 | Confident | 79.4 | Confident | 123 Ų | 123 | 107.8 Ų | 107.8 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 174.2 | -78.9 | -173.4 | 170.5 | 0 | 0 | 111.1 | K943 R950 L951 | K943-E947 WeakPolarHBondContact O-CB 3.21Å; K943-E947 WeakPolarHBondContact O-CG 3.35Å; K943-E947 PolarHBondContact O-N 3.02Å; E947-R950 PolarHBondContact O-N 3.16Å; E947-L951 WeakPolarHBondContact O-CB 3.11Å; E947-L951 WeakPolarHBondContact O-CG 2.93Å; E947-L951 PolarHBondContact O-N 2.84Å |
| 948 | R | 75.5 | Confident | 79.4 | Confident | 84 Ų | 84 | 107.9 Ų | 107.9 | 32% | 0.317 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 173.7 | -170.8 | 178.5 | 64.8 | -169.1 | -13.6 | 110.4 | I944 E946 R950 L951 T952 E1649 | I944-R948 VanDerWaalsContact O-CB 3.24Å; I944-R948 WeakPolarHBondContact O-CB 2.94Å; I944-R948 PolarHBondContact O-N 2.95Å; E946-R948 VanDerWaalsContact C-N 3.34Å; R948-R950 VanDerWaalsContact C-N 3.33Å; R948-R950 PolarHBondContact O-N 3.18Å; R948-L951 CarbonylContact O-C 3.56Å; R948-L951 PolarHBondContact O-N 2.92Å; R948-L951 VanDerWaalsContact O-N 3.17Å; R948-T952 PolarHBondContact O-N 2.74Å; R948-T952 PolarHBondContact O-OG1 3.45Å; R948-E1649 IonicContact CZ-OE1 3.19Å; R948-E1649 IonicContact NH1-OE1 2.91Å; R948-E1649 PolarHBondContact NH1-OE1 2.95Å; R948-E1649 IonicContact NH2-OE1 3.89Å |
| 949 | R | 78.3 | Confident | 79.3 | Confident | 188 Ų | 188 | 105.9 Ų | 105.9 | 71% | 0.709 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.2 | -45.4 | 174.7 | -114.6 | -179.2 | -168.8 | 151.8 | 2.3 | 111.6 | C945 E946 T952 Q953 | C945-R949 WeakPolarHBondContact O-CB 3.25Å; C945-R949 PolarHBondContact O-N 3.3Å; E946-R949 WeakPolarHBondContact O-CB 2.82Å; E946-R949 PolarHBondContact O-N 3.49Å; R949-T952 PolarHBondContact O-N 3.01Å; R949-Q953 WeakPolarHBondContact O-CB 3.13Å; R949-Q953 PolarHBondContact O-N 3.22Å |
| 950 | R | 82.8 | Confident | 79 | Confident | 179 Ų | 179 | 104.4 Ų | 104.4 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | 175.7 | -80.5 | -175.6 | 177.8 | 175.6 | 3 | 112.1 | E946 E947 R948 Q953 N954 | E946-R950 PolarHBondContact O-N 3.42Å; E947-R950 PolarHBondContact O-N 3.16Å; R948-R950 VanDerWaalsContact C-N 3.33Å; R948-R950 PolarHBondContact O-N 3.18Å; R950-Q953 PolarHBondContact O-N 2.99Å; R950-N954 VanDerWaalsContact O-CB 3.27Å; R950-N954 WeakPolarHBondContact O-CB 3.07Å; R950-N954 VanDerWaalsContact O-CG 3.31Å; R950-N954 PolarHBondContact O-N 3.32Å |
| 951 | L | 78.9 | Confident | 78.7 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.7 | -40.7 | 176.9 | -75 | 170.7 | 0 | 0 | 0 | 111.5 | E947 R948 Q953 N954 I955 | E947-L951 WeakPolarHBondContact O-CB 3.11Å; E947-L951 WeakPolarHBondContact O-CG 2.93Å; E947-L951 PolarHBondContact O-N 2.84Å; R948-L951 CarbonylContact O-C 3.56Å; R948-L951 PolarHBondContact O-N 2.92Å; R948-L951 VanDerWaalsContact O-N 3.17Å; L951-Q953 VanDerWaalsContact C-N 3.31Å; L951-N954 PolarHBondContact O-N 2.92Å; L951-I955 WeakPolarHBondContact O-CB 3.5Å; L951-I955 WeakPolarHBondContact O-CG1 3.22Å; L951-I955 PolarHBondContact O-N 3.46Å |
| 952 | T | 77.8 | Confident | 78.6 | Confident | 82 Ų | 82 | 105 Ų | 105 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 174.5 | -41 | 0 | 0 | 0 | 0 | 110.9 | R948 R949 I955 H956 | R948-T952 PolarHBondContact O-N 2.74Å; R948-T952 PolarHBondContact O-OG1 3.45Å; R949-T952 PolarHBondContact O-N 3.01Å; T952-I955 PolarHBondContact O-N 3.29Å; T952-H956 VanDerWaalsContact O-CB 3.29Å; T952-H956 WeakPolarHBondContact O-CB 2.74Å; T952-H956 PolarHBondContact O-N 3.01Å |
| 953 | Q | 80 | Confident | 78.4 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.7 | -38.8 | 175.8 | -161.3 | 140 | 13.5 | 0 | 0 | 111.5 | R949 R950 L951 H956 D957 | R949-Q953 WeakPolarHBondContact O-CB 3.13Å; R949-Q953 PolarHBondContact O-N 3.22Å; R950-Q953 PolarHBondContact O-N 2.99Å; L951-Q953 VanDerWaalsContact C-N 3.31Å; Q953-H956 CarbonylContact O-C 3.48Å; Q953-H956 PolarHBondContact O-N 3.44Å; Q953-D957 VanDerWaalsContact O-CB 3.3Å; Q953-D957 WeakPolarHBondContact O-CB 3.22Å; Q953-D957 PolarHBondContact O-N 3.23Å |
| 954 | N | 80.1 | Confident | 78.1 | Confident | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 169.9 | -82 | -5.9 | 0 | 0 | 0 | 111.8 | R950 L951 H956 D957 L958 | R950-N954 VanDerWaalsContact O-CB 3.27Å; R950-N954 WeakPolarHBondContact O-CB 3.07Å; R950-N954 VanDerWaalsContact O-CG 3.31Å; R950-N954 PolarHBondContact O-N 3.32Å; L951-N954 PolarHBondContact O-N 2.92Å; N954-H956 VanDerWaalsContact C-N 3.34Å; N954-D957 PolarHBondContact O-N 2.97Å; N954-L958 WeakPolarHBondContact O-CB 3.3Å; N954-L958 WeakPolarHBondContact O-CG 3.09Å; N954-L958 PolarHBondContact O-N 2.96Å |
| 955 | I | 76.8 | Confident | 77.7 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 173.2 | -72.9 | 165.3 | 0 | 0 | 0 | 109 | L951 T952 L958 E959 | L951-I955 WeakPolarHBondContact O-CB 3.5Å; L951-I955 WeakPolarHBondContact O-CG1 3.22Å; L951-I955 PolarHBondContact O-N 3.46Å; T952-I955 PolarHBondContact O-N 3.29Å; I955-L958 CarbonylContact O-C 3.44Å; I955-L958 PolarHBondContact O-N 2.87Å; I955-E959 HydrophobicContact CG2-CG 4.21Å; I955-E959 WeakPolarHBondContact O-CA 3.13Å; I955-E959 VanDerWaalsContact O-CB 3.25Å; I955-E959 WeakPolarHBondContact O-CB 3.19Å; I955-E959 VanDerWaalsContact O-CG 3.26Å; I955-E959 WeakPolarHBondContact O-CG 3.19Å; I955-E959 PolarHBondContact O-N 3.47Å |
| 956 | H | 77.6 | Confident | 77.5 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 176.6 | -170 | 58.5 | 0 | 0 | 0 | 112.2 | T952 Q953 N954 E959 N960 | T952-H956 VanDerWaalsContact O-CB 3.29Å; T952-H956 WeakPolarHBondContact O-CB 2.74Å; T952-H956 PolarHBondContact O-N 3.01Å; Q953-H956 CarbonylContact O-C 3.48Å; Q953-H956 PolarHBondContact O-N 3.44Å; N954-H956 VanDerWaalsContact C-N 3.34Å; H956-E959 IonicContact ND1-OE2 3.82Å; H956-E959 PolarHBondContact O-N 3.41Å; H956-N960 PolarHBondContact CD2-ND2 3.44Å; H956-N960 PolarHBondContact NE2-ND2 2.82Å; H956-N960 VanDerWaalsContact O-CB 3.3Å; H956-N960 WeakPolarHBondContact O-CB 3.48Å; H956-N960 PolarHBondContact O-N 3.22Å; H956-N960 PolarHBondContact O-ND2 3.32Å |
| 957 | D | 78.4 | Confident | 77.2 | Confident | 71 Ų | 71 | 104.8 Ų | 104.8 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.8 | -36.7 | 174.3 | -69.9 | -18.8 | 0 | 0 | 0 | 110.5 | Q953 N954 Q961 | Q953-D957 VanDerWaalsContact O-CB 3.3Å; Q953-D957 WeakPolarHBondContact O-CB 3.22Å; Q953-D957 PolarHBondContact O-N 3.23Å; N954-D957 PolarHBondContact O-N 2.97Å; D957-Q961 WeakPolarHBondContact O-CB 2.7Å; D957-Q961 WeakPolarHBondContact O-CG 3.14Å; D957-Q961 PolarHBondContact O-N 3.46Å |
| 958 | L | 76.3 | Confident | 76.8 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.4 | -33.8 | 171.8 | -76.7 | 169.3 | 0 | 0 | 0 | 111.6 | N954 I955 Q961 L962 | N954-L958 WeakPolarHBondContact O-CB 3.3Å; N954-L958 WeakPolarHBondContact O-CG 3.09Å; N954-L958 PolarHBondContact O-N 2.96Å; I955-L958 CarbonylContact O-C 3.44Å; I955-L958 PolarHBondContact O-N 2.87Å; L958-Q961 CarbonylContact O-C 3.54Å; L958-L962 WeakPolarHBondContact O-CA 3.37Å; L958-L962 WeakPolarHBondContact O-CB 3.18Å; L958-L962 PolarHBondContact O-N 2.97Å |
| 959 | E | 75.6 | Confident | 76.4 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 172.9 | -81.9 | -178.8 | 143.7 | 0 | 0 | 109.1 | I955 H956 L962 E963 R1663 | I955-E959 HydrophobicContact CG2-CG 4.21Å; I955-E959 WeakPolarHBondContact O-CA 3.13Å; I955-E959 VanDerWaalsContact O-CB 3.25Å; I955-E959 WeakPolarHBondContact O-CB 3.19Å; I955-E959 VanDerWaalsContact O-CG 3.26Å; I955-E959 WeakPolarHBondContact O-CG 3.19Å; I955-E959 PolarHBondContact O-N 3.47Å; H956-E959 IonicContact ND1-OE2 3.82Å; H956-E959 PolarHBondContact O-N 3.41Å; E959-L962 CarbonylContact O-C 3.16Å; E959-L962 WeakPolarHBondContact O-CA 3.25Å; E959-L962 WeakPolarHBondContact O-CB 3.5Å; E959-L962 PolarHBondContact O-N 2.88Å; E959-L962 VanDerWaalsContact O-N 3.16Å; E959-E963 WeakPolarHBondContact O-CB 3.21Å; E959-E963 PolarHBondContact O-N 3.39Å; E959-R1663 IonicContact OE1-NH1 3.25Å; E959-R1663 PolarHBondContact OE1-NH1 3.35Å |
| 960 | N | 76.6 | Confident | 76 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 30% | 0.299 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 173.9 | -73.4 | -27 | 0 | 0 | 0 | 111.3 | H956 L962 E963 D964 | H956-N960 PolarHBondContact CD2-ND2 3.44Å; H956-N960 PolarHBondContact NE2-ND2 2.82Å; H956-N960 VanDerWaalsContact O-CB 3.3Å; H956-N960 WeakPolarHBondContact O-CB 3.48Å; H956-N960 PolarHBondContact O-N 3.22Å; H956-N960 PolarHBondContact O-ND2 3.32Å; N960-L962 VanDerWaalsContact C-N 3.33Å; N960-E963 CarbonylContact O-C 3.54Å; N960-E963 PolarHBondContact O-N 3.45Å; N960-D964 VanDerWaalsContact O-CB 3.23Å; N960-D964 WeakPolarHBondContact O-CB 2.68Å; N960-D964 PolarHBondContact O-N 2.95Å |
| 961 | Q | 77.1 | Confident | 75.6 | Confident | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.4 | -32.3 | 171.8 | -79.2 | 174.2 | 17.8 | 0 | 0 | 111.6 | D957 L958 E965 | D957-Q961 WeakPolarHBondContact O-CB 2.7Å; D957-Q961 WeakPolarHBondContact O-CG 3.14Å; D957-Q961 PolarHBondContact O-N 3.46Å; L958-Q961 CarbonylContact O-C 3.54Å; Q961-E965 WeakPolarHBondContact O-CA 3.37Å; Q961-E965 WeakPolarHBondContact O-CB 3.43Å; Q961-E965 WeakPolarHBondContact O-CG 3.36Å; Q961-E965 PolarHBondContact O-N 2.9Å |
| 962 | L | 73.7 | Confident | 75 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.3 | -32.3 | 172.6 | -164.7 | 81.9 | 0 | 0 | 0 | 110 | L958 E959 N960 E965 E966 | L958-L962 WeakPolarHBondContact O-CA 3.37Å; L958-L962 WeakPolarHBondContact O-CB 3.18Å; L958-L962 PolarHBondContact O-N 2.97Å; E959-L962 CarbonylContact O-C 3.16Å; E959-L962 WeakPolarHBondContact O-CA 3.25Å; E959-L962 WeakPolarHBondContact O-CB 3.5Å; E959-L962 PolarHBondContact O-N 2.88Å; E959-L962 VanDerWaalsContact O-N 3.16Å; N960-L962 VanDerWaalsContact C-N 3.33Å; L962-E965 CarbonylContact O-C 3.41Å; L962-E966 WeakPolarHBondContact O-CA 3.15Å; L962-E966 WeakPolarHBondContact O-CB 3.48Å; L962-E966 WeakPolarHBondContact O-CG 3.27Å; L962-E966 PolarHBondContact O-N 3.2Å |
| 963 | E | 76.2 | Confident | 74.4 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -76.4 | -36.4 | 176.1 | -139.4 | 176 | -155.8 | 0 | 0 | 110.6 | E959 N960 E966 A967 | E959-E963 WeakPolarHBondContact O-CB 3.21Å; E959-E963 PolarHBondContact O-N 3.39Å; N960-E963 CarbonylContact O-C 3.54Å; N960-E963 PolarHBondContact O-N 3.45Å; E963-E966 CarbonylContact O-C 3.58Å; E963-E966 PolarHBondContact O-N 2.85Å; E963-A967 WeakPolarHBondContact O-CA 3.02Å; E963-A967 WeakPolarHBondContact O-CB 3.32Å; E963-A967 PolarHBondContact O-N 3.23Å |
| 964 | D | 76.9 | Confident | 73.9 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.5 | -37 | 170.1 | -82.8 | -21.2 | 0 | 0 | 0 | 111.1 | N960 E966 A967 T968 | N960-D964 VanDerWaalsContact O-CB 3.23Å; N960-D964 WeakPolarHBondContact O-CB 2.68Å; N960-D964 PolarHBondContact O-N 2.95Å; D964-E966 VanDerWaalsContact C-N 3.35Å; D964-A967 PolarHBondContact O-N 2.89Å; D964-T968 WeakPolarHBondContact O-CA 3.37Å; D964-T968 VanDerWaalsContact O-CB 3.24Å; D964-T968 WeakPolarHBondContact O-CB 2.94Å; D964-T968 VanDerWaalsContact O-CG2 3.28Å; D964-T968 WeakPolarHBondContact O-CG2 3.41Å; D964-T968 PolarHBondContact O-N 3.03Å; D964-T968 PolarHBondContact O-OG1 2.91Å |
| 965 | E | 73.1 | Confident | 73.2 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.7 | -36 | 168.6 | -92.9 | -127.7 | 157.4 | 0 | 0 | 110.1 | Q961 L962 T968 R969 | Q961-E965 WeakPolarHBondContact O-CA 3.37Å; Q961-E965 WeakPolarHBondContact O-CB 3.43Å; Q961-E965 WeakPolarHBondContact O-CG 3.36Å; Q961-E965 PolarHBondContact O-N 2.9Å; L962-E965 CarbonylContact O-C 3.41Å; E965-T968 WeakPolarHBondContact CA-OG1 3.26Å; E965-T968 CarbonylContact O-C 3.45Å; E965-T968 PolarHBondContact O-OG1 3.45Å; E965-R969 VanDerWaalsContact O-CA 3.27Å; E965-R969 WeakPolarHBondContact O-CA 2.95Å; E965-R969 WeakPolarHBondContact O-CB 2.91Å; E965-R969 PolarHBondContact O-N 3.18Å |
| 966 | E | 72.5 | Confident | 72.5 | Confident | 101 Ų | 101 | 102.7 Ų | 102.7 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.3 | -33.6 | 175.4 | -84 | -178.1 | 176.1 | 0 | 0 | 110.5 | L962 E963 D964 R969 Q970 | L962-E966 WeakPolarHBondContact O-CA 3.15Å; L962-E966 WeakPolarHBondContact O-CB 3.48Å; L962-E966 WeakPolarHBondContact O-CG 3.27Å; L962-E966 PolarHBondContact O-N 3.2Å; E963-E966 CarbonylContact O-C 3.58Å; E963-E966 PolarHBondContact O-N 2.85Å; D964-E966 VanDerWaalsContact C-N 3.35Å; E966-R969 CarbonylContact O-C 3.43Å; E966-R969 PolarHBondContact O-N 3.26Å; E966-Q970 WeakPolarHBondContact O-CA 3.3Å; E966-Q970 WeakPolarHBondContact O-CB 3.45Å; E966-Q970 VanDerWaalsContact O-CG 3.27Å; E966-Q970 WeakPolarHBondContact O-CG 3.33Å; E966-Q970 PolarHBondContact O-N 3.3Å |
| 967 | A | 74.1 | Confident | 71.9 | Confident | 48 Ų | 48 | 102.3 Ų | 102.3 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74 | -40 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E963 D964 Q970 K971 | E963-A967 WeakPolarHBondContact O-CA 3.02Å; E963-A967 WeakPolarHBondContact O-CB 3.32Å; E963-A967 PolarHBondContact O-N 3.23Å; D964-A967 PolarHBondContact O-N 2.89Å; A967-Q970 CarbonylContact O-C 3.59Å; A967-Q970 PolarHBondContact O-N 2.9Å; A967-K971 WeakPolarHBondContact O-CB 3.39Å; A967-K971 PolarHBondContact O-N 2.96Å |
| 968 | T | 73.6 | Confident | 71.3 | Confident | 72 Ų | 72 | 105.4 Ų | 105.4 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.4 | -26.4 | 170.7 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | D964 E965 K971 L972 | D964-T968 WeakPolarHBondContact O-CA 3.37Å; D964-T968 VanDerWaalsContact O-CB 3.24Å; D964-T968 WeakPolarHBondContact O-CB 2.94Å; D964-T968 VanDerWaalsContact O-CG2 3.28Å; D964-T968 WeakPolarHBondContact O-CG2 3.41Å; D964-T968 PolarHBondContact O-N 3.03Å; D964-T968 PolarHBondContact O-OG1 2.91Å; E965-T968 WeakPolarHBondContact CA-OG1 3.26Å; E965-T968 CarbonylContact O-C 3.45Å; E965-T968 PolarHBondContact O-OG1 3.45Å; T968-K971 CarbonylContact O-C 3.58Å; T968-L972 WeakPolarHBondContact O-CA 3.28Å; T968-L972 WeakPolarHBondContact O-CB 3.33Å; T968-L972 WeakPolarHBondContact O-CD1 3.02Å; T968-L972 VanDerWaalsContact O-CG 3.26Å; T968-L972 WeakPolarHBondContact O-CG 3.43Å; T968-L972 PolarHBondContact O-N 2.67Å |
| 969 | R | 68.6 | Low | 70.5 | Confident | 168 Ų | 168 | 103.6 Ų | 103.6 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.2 | -26.4 | 169.9 | -174.4 | 177.6 | 170.9 | 127.8 | -0.8 | 110.8 | E965 E966 L972 L973 | E965-R969 VanDerWaalsContact O-CA 3.27Å; E965-R969 WeakPolarHBondContact O-CA 2.95Å; E965-R969 WeakPolarHBondContact O-CB 2.91Å; E965-R969 PolarHBondContact O-N 3.18Å; E966-R969 CarbonylContact O-C 3.43Å; E966-R969 PolarHBondContact O-N 3.26Å; R969-L972 CarbonylContact O-C 3.29Å; R969-L973 HydrophobicContact CG-CD1 4.26Å; R969-L973 VanDerWaalsContact O-CA 3.3Å; R969-L973 WeakPolarHBondContact O-CA 3.3Å; R969-L973 WeakPolarHBondContact O-CB 3.31Å; R969-L973 VanDerWaalsContact O-CD1 3.31Å; R969-L973 WeakPolarHBondContact O-CD1 3.23Å; R969-L973 VanDerWaalsContact O-CG 3.25Å; R969-L973 WeakPolarHBondContact O-CG 3.11Å; R969-L973 PolarHBondContact O-N 2.86Å |
| 970 | Q | 70.2 | Confident | 69.6 | Low | 132 Ų | 132 | 101.2 Ų | 101.2 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.1 | -38.1 | 167.8 | -87.6 | -175 | 2.2 | 0 | 0 | 110.7 | E966 A967 L973 L974 | E966-Q970 WeakPolarHBondContact O-CA 3.3Å; E966-Q970 WeakPolarHBondContact O-CB 3.45Å; E966-Q970 VanDerWaalsContact O-CG 3.27Å; E966-Q970 WeakPolarHBondContact O-CG 3.33Å; E966-Q970 PolarHBondContact O-N 3.3Å; A967-Q970 CarbonylContact O-C 3.59Å; A967-Q970 PolarHBondContact O-N 2.9Å; Q970-L973 CarbonylContact O-C 3.6Å; Q970-L973 WeakPolarHBondContact O-CA 3.45Å; Q970-L973 WeakPolarHBondContact O-CB 3.25Å; Q970-L973 PolarHBondContact O-N 3.12Å; Q970-L974 WeakPolarHBondContact O-CB 3.44Å; Q970-L974 WeakPolarHBondContact O-CG 3.41Å; Q970-L974 PolarHBondContact O-N 3.26Å |
| 971 | K | 73.4 | Confident | 68.9 | Low | 144 Ų | 144 | 101.3 Ų | 101.3 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.3 | -38.4 | 173.8 | -156.7 | 179.3 | -172.5 | -177.4 | 0 | 111.3 | A967 T968 L973 L974 E975 | A967-K971 WeakPolarHBondContact O-CB 3.39Å; A967-K971 PolarHBondContact O-N 2.96Å; T968-K971 CarbonylContact O-C 3.58Å; K971-L973 VanDerWaalsContact C-N 3.28Å; K971-L974 CarbonylContact O-C 3.6Å; K971-L974 WeakPolarHBondContact O-CB 2.97Å; K971-L974 PolarHBondContact O-N 2.88Å; K971-E975 WeakPolarHBondContact O-CB 3.03Å; K971-E975 PolarHBondContact O-N 3Å |
| 972 | L | 66.6 | Low | 68 | Low | 100 Ų | 100 | 102.4 Ų | 102.4 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.2 | -21.2 | 166.2 | -82.4 | 158.6 | 0 | 0 | 0 | 110.2 | T968 R969 E975 K976 | T968-L972 WeakPolarHBondContact O-CA 3.28Å; T968-L972 WeakPolarHBondContact O-CB 3.33Å; T968-L972 WeakPolarHBondContact O-CD1 3.02Å; T968-L972 VanDerWaalsContact O-CG 3.26Å; T968-L972 WeakPolarHBondContact O-CG 3.43Å; T968-L972 PolarHBondContact O-N 2.67Å; R969-L972 CarbonylContact O-C 3.29Å; L972-E975 CarbonylContact O-C 3.6Å; L972-K976 WeakPolarHBondContact O-CA 3.03Å; L972-K976 WeakPolarHBondContact O-CB 3.12Å; L972-K976 PolarHBondContact O-N 2.93Å |
| 973 | L | 64.9 | Low | 67.1 | Low | 79 Ų | 79 | 100.5 Ų | 100.5 | 41% | 0.414 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -79.6 | -30.5 | 169.3 | -98.9 | 150 | 0 | 0 | 0 | 110.1 | R969 Q970 K971 K976 V977 | R969-L973 HydrophobicContact CG-CD1 4.26Å; R969-L973 VanDerWaalsContact O-CA 3.3Å; R969-L973 WeakPolarHBondContact O-CA 3.3Å; R969-L973 WeakPolarHBondContact O-CB 3.31Å; R969-L973 VanDerWaalsContact O-CD1 3.31Å; R969-L973 WeakPolarHBondContact O-CD1 3.23Å; R969-L973 VanDerWaalsContact O-CG 3.25Å; R969-L973 WeakPolarHBondContact O-CG 3.11Å; R969-L973 PolarHBondContact O-N 2.86Å; Q970-L973 CarbonylContact O-C 3.6Å; Q970-L973 WeakPolarHBondContact O-CA 3.45Å; Q970-L973 WeakPolarHBondContact O-CB 3.25Å; Q970-L973 PolarHBondContact O-N 3.12Å; K971-L973 VanDerWaalsContact C-N 3.28Å; L973-K976 HydrophobicContact CD2-CD 4.2Å; L973-K976 CarbonylContact O-C 3.6Å; L973-K976 VanDerWaalsContact O-C 3.29Å; L973-V977 WeakPolarHBondContact O-CA 3.18Å; L973-V977 VanDerWaalsContact O-CB 3.23Å; L973-V977 WeakPolarHBondContact O-CB 3.1Å; L973-V977 WeakPolarHBondContact O-CG2 3.45Å; L973-V977 PolarHBondContact O-N 2.85Å |
| 974 | L | 69.2 | Low | 66.2 | Low | 120 Ų | 120 | 100.8 Ų | 100.8 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.9 | -41.6 | 169.7 | -82.3 | 157.2 | 0 | 0 | 0 | 110.7 | Q970 K971 V977 Q978 | Q970-L974 WeakPolarHBondContact O-CB 3.44Å; Q970-L974 WeakPolarHBondContact O-CG 3.41Å; Q970-L974 PolarHBondContact O-N 3.26Å; K971-L974 CarbonylContact O-C 3.6Å; K971-L974 WeakPolarHBondContact O-CB 2.97Å; K971-L974 PolarHBondContact O-N 2.88Å; L974-V977 CarbonylContact O-C 3.55Å; L974-V977 PolarHBondContact O-N 3.42Å; L974-V977 VanDerWaalsContact O-N 3.16Å; L974-Q978 PolarHBondContact O-N 2.9Å |
| 975 | E | 66.6 | Low | 65.4 | Low | 107 Ų | 107 | 104.8 Ų | 104.8 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -31.1 | 169.3 | -76.7 | -174.9 | 167 | 0 | 0 | 111.4 | K971 L972 V977 Q978 V979 | K971-E975 WeakPolarHBondContact O-CB 3.03Å; K971-E975 PolarHBondContact O-N 3Å; L972-E975 CarbonylContact O-C 3.6Å; E975-V977 VanDerWaalsContact C-N 3.29Å; E975-Q978 CarbonylContact O-C 3.52Å; E975-Q978 PolarHBondContact O-N 3.49Å; E975-V979 WeakPolarHBondContact O-CA 3.43Å; E975-V979 WeakPolarHBondContact O-CB 3.49Å; E975-V979 WeakPolarHBondContact O-CG2 3.42Å; E975-V979 PolarHBondContact O-N 3.34Å |
| 976 | K | 61.5 | Low | 64.6 | Low | 100 Ų | 100 | 103.6 Ų | 103.6 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.9 | -10.9 | 168.9 | -168.5 | -139.4 | -175.3 | -122.9 | 0 | 110 | L972 L973 D980 | L972-K976 WeakPolarHBondContact O-CA 3.03Å; L972-K976 WeakPolarHBondContact O-CB 3.12Å; L972-K976 PolarHBondContact O-N 2.93Å; L973-K976 HydrophobicContact CD2-CD 4.2Å; L973-K976 CarbonylContact O-C 3.6Å; L973-K976 VanDerWaalsContact O-C 3.29Å; K976-D980 VanDerWaalsContact CD-OD2 3.28Å; K976-D980 WeakPolarHBondContact CD-OD2 3.36Å; K976-D980 WeakPolarHBondContact CE-OD1 3.22Å; K976-D980 VanDerWaalsContact CE-OD2 3.23Å; K976-D980 WeakPolarHBondContact CE-OD2 3.3Å; K976-D980 WeakPolarHBondContact CG-OD1 3.38Å; K976-D980 WeakPolarHBondContact CG-OD2 3.46Å; K976-D980 IonicContact NZ-OD1 3.49Å; K976-D980 IonicContact NZ-OD2 3.48Å; K976-D980 PolarHBondContact NZ-OD2 2.84Å; K976-D980 WeakPolarHBondContact O-CA 3.5Å; K976-D980 WeakPolarHBondContact O-CB 3.28Å; K976-D980 PolarHBondContact O-N 2.94Å; K976-D980 VanDerWaalsContact O-OD2 3.12Å |
| 977 | V | 65.6 | Low | 63.6 | Low | 88 Ų | 88 | 102.1 Ų | 102.1 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -88.1 | -31.5 | 164.8 | 163.4 | 0 | 0 | 0 | 0 | 109 | L973 L974 E975 S981 | L973-V977 WeakPolarHBondContact O-CA 3.18Å; L973-V977 VanDerWaalsContact O-CB 3.23Å; L973-V977 WeakPolarHBondContact O-CB 3.1Å; L973-V977 WeakPolarHBondContact O-CG2 3.45Å; L973-V977 PolarHBondContact O-N 2.85Å; L974-V977 CarbonylContact O-C 3.55Å; L974-V977 PolarHBondContact O-N 3.42Å; L974-V977 VanDerWaalsContact O-N 3.16Å; E975-V977 VanDerWaalsContact C-N 3.29Å; V977-S981 WeakPolarHBondContact O-CB 3.18Å; V977-S981 PolarHBondContact O-N 3.19Å; V977-S981 PolarHBondContact O-OG 2.93Å |
| 978 | Q | 65.1 | Low | 62.9 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.7 | -29.7 | 166.7 | -77.4 | -171.2 | -11.7 | 0 | 0 | 113.2 | L974 E975 S981 K982 | L974-Q978 PolarHBondContact O-N 2.9Å; E975-Q978 CarbonylContact O-C 3.52Å; E975-Q978 PolarHBondContact O-N 3.49Å; Q978-S981 VanDerWaalsContact C-OG 3.29Å; Q978-S981 VanDerWaalsContact CA-OG 3.29Å; Q978-S981 WeakPolarHBondContact CA-OG 3.17Å; Q978-S981 PolarHBondContact O-OG 2.87Å; Q978-K982 WeakPolarHBondContact O-CG 3.46Å |
| 979 | V | 59.4 | Low | 62 | Low | 68 Ų | 68 | 107 Ų | 107 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -88.1 | -45.6 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 108 | E975 S981 K982 L983 | E975-V979 WeakPolarHBondContact O-CA 3.43Å; E975-V979 WeakPolarHBondContact O-CB 3.49Å; E975-V979 WeakPolarHBondContact O-CG2 3.42Å; E975-V979 PolarHBondContact O-N 3.34Å; V979-S981 PolarHBondContact O-N 2.9Å; V979-K982 CarbonylContact O-C 3.56Å; V979-K982 WeakPolarHBondContact O-CA 3.4Å; V979-K982 WeakPolarHBondContact O-CB 3.36Å; V979-K982 PolarHBondContact O-N 3.5Å; V979-L983 HydrophobicContact CG1-CB 4.41Å; V979-L983 HydrophobicContact CG1-CD1 3.85Å; V979-L983 WeakPolarHBondContact O-CA 3.48Å; V979-L983 VanDerWaalsContact O-CB 3.25Å; V979-L983 WeakPolarHBondContact O-CB 3.44Å; V979-L983 PolarHBondContact O-N 2.79Å |
| 980 | D | 56.5 | Low | 61.4 | Low | 25 Ų | 25 | 104.4 Ų | 104.4 | 13% | 0.134 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.6 | -8.9 | 167.3 | -64.9 | -17.6 | 0 | 0 | 0 | 112.6 | K976 K984 | K976-D980 VanDerWaalsContact CD-OD2 3.28Å; K976-D980 WeakPolarHBondContact CD-OD2 3.36Å; K976-D980 WeakPolarHBondContact CE-OD1 3.22Å; K976-D980 VanDerWaalsContact CE-OD2 3.23Å; K976-D980 WeakPolarHBondContact CE-OD2 3.3Å; K976-D980 WeakPolarHBondContact CG-OD1 3.38Å; K976-D980 WeakPolarHBondContact CG-OD2 3.46Å; K976-D980 IonicContact NZ-OD1 3.49Å; K976-D980 IonicContact NZ-OD2 3.48Å; K976-D980 PolarHBondContact NZ-OD2 2.84Å; K976-D980 WeakPolarHBondContact O-CA 3.5Å; K976-D980 WeakPolarHBondContact O-CB 3.28Å; K976-D980 PolarHBondContact O-N 2.94Å; K976-D980 VanDerWaalsContact O-OD2 3.12Å; D980-K984 VanDerWaalsContact O-CA 3.31Å; D980-K984 WeakPolarHBondContact O-CA 3.26Å; D980-K984 WeakPolarHBondContact O-CB 3.22Å; D980-K984 WeakPolarHBondContact O-CG 2.98Å; D980-K984 PolarHBondContact O-N 2.78Å |
| 981 | S | 62.7 | Low | 60.7 | Low | 58 Ų | 58 | 100.5 Ų | 100.5 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -87.9 | -18.5 | 162.5 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | V977 Q978 V979 R985 | V977-S981 WeakPolarHBondContact O-CB 3.18Å; V977-S981 PolarHBondContact O-N 3.19Å; V977-S981 PolarHBondContact O-OG 2.93Å; Q978-S981 VanDerWaalsContact C-OG 3.29Å; Q978-S981 VanDerWaalsContact CA-OG 3.29Å; Q978-S981 WeakPolarHBondContact CA-OG 3.17Å; Q978-S981 PolarHBondContact O-OG 2.87Å; V979-S981 PolarHBondContact O-N 2.9Å; S981-R985 PolarHBondContact O-NE 3.29Å |
| 982 | K | 58.7 | Low | 59.9 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -88.5 | -25.9 | 162.4 | -63.9 | 173.9 | -179.9 | 175 | 0 | 112.3 | Q978 V979 R985 I986 | Q978-K982 WeakPolarHBondContact O-CG 3.46Å; V979-K982 CarbonylContact O-C 3.56Å; V979-K982 WeakPolarHBondContact O-CA 3.4Å; V979-K982 WeakPolarHBondContact O-CB 3.36Å; V979-K982 PolarHBondContact O-N 3.5Å; K982-R985 WeakPolarHBondContact O-CB 3.48Å; K982-I986 WeakPolarHBondContact O-CD1 3.5Å; K982-I986 VanDerWaalsContact O-CG1 3.32Å; K982-I986 WeakPolarHBondContact O-CG1 3.47Å; K982-I986 PolarHBondContact O-N 3.29Å |
| 983 | L | 53.7 | Low | 59.4 | Low | 59 Ų | 59 | 98 Ų | 98 | 31% | 0.309 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -94.8 | -36.2 | -174.8 | -125 | 161.9 | 0 | 0 | 0 | 107.7 | V979 R985 I986 E987 | V979-L983 HydrophobicContact CG1-CB 4.41Å; V979-L983 HydrophobicContact CG1-CD1 3.85Å; V979-L983 WeakPolarHBondContact O-CA 3.48Å; V979-L983 VanDerWaalsContact O-CB 3.25Å; V979-L983 WeakPolarHBondContact O-CB 3.44Å; V979-L983 PolarHBondContact O-N 2.79Å; L983-R985 PolarHBondContact O-N 3.2Å; L983-I986 CarbonylContact O-C 3.56Å; L983-I986 VanDerWaalsContact O-C 3.23Å; L983-I986 VanDerWaalsContact O-CA 3.27Å; L983-I986 WeakPolarHBondContact O-CA 3.33Å; L983-I986 WeakPolarHBondContact O-CB 3.31Å; L983-I986 PolarHBondContact O-N 3.45Å; L983-E987 HydrophobicContact CD2-CG 3.56Å; L983-E987 WeakPolarHBondContact CD2-OE1 3.34Å; L983-E987 WeakPolarHBondContact O-CA 3.39Å; L983-E987 WeakPolarHBondContact O-CB 3.46Å; L983-E987 WeakPolarHBondContact O-CG 3.45Å; L983-E987 PolarHBondContact O-N 2.81Å |
| 984 | K | 57 | Low | 59 | Low | 133 Ų | 133 | 98.5 Ų | 98.5 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.9 | -33.9 | 159.2 | -84.5 | -179 | 168 | -176.6 | 0 | 112.5 | D980 I986 E987 E988 | D980-K984 VanDerWaalsContact O-CA 3.31Å; D980-K984 WeakPolarHBondContact O-CA 3.26Å; D980-K984 WeakPolarHBondContact O-CB 3.22Å; D980-K984 WeakPolarHBondContact O-CG 2.98Å; D980-K984 PolarHBondContact O-N 2.78Å; K984-I986 PolarHBondContact O-N 2.91Å; K984-E987 PolarHBondContact O-N 2.78Å; K984-E988 WeakPolarHBondContact O-CB 2.81Å; K984-E988 WeakPolarHBondContact O-CG 3.25Å; K984-E988 PolarHBondContact O-N 3.19Å |
| 985 | R | 59.9 | Low | 58.4 | Low | 195 Ų | 195 | 98.5 Ų | 98.5 | 74% | 0.736 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.4 | -20.9 | 170.5 | -99.1 | -174.7 | -97.3 | -166.1 | -12.8 | 113.6 | S981 K982 L983 | S981-R985 PolarHBondContact O-NE 3.29Å; K982-R985 WeakPolarHBondContact O-CB 3.48Å; L983-R985 PolarHBondContact O-N 3.2Å |
| 986 | I | 57.2 | Low | 58 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -102.1 | -24 | 177.1 | -64.6 | 167.7 | 0 | 0 | 0 | 111.1 | K982 L983 K984 S989 Y990 | K982-I986 WeakPolarHBondContact O-CD1 3.5Å; K982-I986 VanDerWaalsContact O-CG1 3.32Å; K982-I986 WeakPolarHBondContact O-CG1 3.47Å; K982-I986 PolarHBondContact O-N 3.29Å; L983-I986 CarbonylContact O-C 3.56Å; L983-I986 VanDerWaalsContact O-C 3.23Å; L983-I986 VanDerWaalsContact O-CA 3.27Å; L983-I986 WeakPolarHBondContact O-CA 3.33Å; L983-I986 WeakPolarHBondContact O-CB 3.31Å; L983-I986 PolarHBondContact O-N 3.45Å; K984-I986 PolarHBondContact O-N 2.91Å; I986-S989 CarbonylContact O-C 3.59Å; I986-S989 WeakPolarHBondContact O-CA 3.14Å; I986-S989 WeakPolarHBondContact O-CB 3Å; I986-S989 PolarHBondContact O-N 3.44Å; I986-S989 PolarHBondContact O-OG 2.83Å; I986-Y990 PolarHBondContact O-N 3.01Å |
| 987 | E | 51.8 | Low | 57.8 | Low | 71 Ų | 71 | 95 Ų | 95 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -94.3 | -24.1 | -176.6 | -84.6 | 168.9 | 167.7 | 0 | 0 | 110 | L983 K984 S989 Y990 A991 | L983-E987 HydrophobicContact CD2-CG 3.56Å; L983-E987 WeakPolarHBondContact CD2-OE1 3.34Å; L983-E987 WeakPolarHBondContact O-CA 3.39Å; L983-E987 WeakPolarHBondContact O-CB 3.46Å; L983-E987 WeakPolarHBondContact O-CG 3.45Å; L983-E987 PolarHBondContact O-N 2.81Å; K984-E987 PolarHBondContact O-N 2.78Å; E987-S989 PolarHBondContact O-N 3.27Å; E987-Y990 CarbonylContact O-C 3.54Å; E987-Y990 PolarHBondContact O-N 3.24Å; E987-Y990 VanDerWaalsContact O-N 3.16Å; E987-A991 WeakPolarHBondContact O-CA 2.91Å; E987-A991 WeakPolarHBondContact O-CB 3.5Å; E987-A991 PolarHBondContact O-N 2.6Å |
| 988 | E | 58.4 | Low | 57.4 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.4 | -26.8 | 157.4 | -76.6 | 167.6 | -177.7 | 0 | 0 | 110.2 | K984 | K984-E988 WeakPolarHBondContact O-CB 2.81Å; K984-E988 WeakPolarHBondContact O-CG 3.25Å; K984-E988 PolarHBondContact O-N 3.19Å |
| 989 | S | 56.1 | Low | 57.1 | Low | 74 Ų | 74 | 94.9 Ų | 94.9 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -86.4 | -23.8 | 170.1 | 95.1 | 0 | 0 | 0 | 0 | 113.6 | I986 E987 | I986-S989 CarbonylContact O-C 3.59Å; I986-S989 WeakPolarHBondContact O-CA 3.14Å; I986-S989 WeakPolarHBondContact O-CB 3Å; I986-S989 PolarHBondContact O-N 3.44Å; I986-S989 PolarHBondContact O-OG 2.83Å; E987-S989 PolarHBondContact O-N 3.27Å |
| 990 | Y | 54.2 | Low | 56.9 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -92.4 | -29.8 | -179.6 | -167.7 | -101.2 | 0 | 0 | 0 | 113.4 | I986 E987 A992 L993 E994 | I986-Y990 PolarHBondContact O-N 3.01Å; E987-Y990 CarbonylContact O-C 3.54Å; E987-Y990 PolarHBondContact O-N 3.24Å; E987-Y990 VanDerWaalsContact O-N 3.16Å; Y990-A992 VanDerWaalsContact C-N 3.29Å; Y990-A992 PolarHBondContact O-N 3.33Å; Y990-L993 CarbonylContact O-C 3.59Å; Y990-L993 VanDerWaalsContact O-C 3.31Å; Y990-L993 WeakPolarHBondContact O-CA 3.48Å; Y990-L993 WeakPolarHBondContact O-CB 3.18Å; Y990-L993 PolarHBondContact O-N 2.75Å; Y990-E994 HydrophobicContact CD1-CB 4.26Å; Y990-E994 HydrophobicContact CD1-CG 4.38Å; Y990-E994 HydrophobicContact CE1-CB 4.31Å; Y990-E994 HydrophobicContact CE1-CG 4.01Å; Y990-E994 WeakPolarHBondContact O-CB 3.32Å; Y990-E994 PolarHBondContact O-N 3.32Å |
| 991 | A | 55.9 | Low | 56.9 | Low | 49 Ų | 49 | 99.3 Ų | 99.3 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.2 | -28.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E987 L993 E994 D995 | E987-A991 WeakPolarHBondContact O-CA 2.91Å; E987-A991 WeakPolarHBondContact O-CB 3.5Å; E987-A991 PolarHBondContact O-N 2.6Å; A991-L993 PolarHBondContact O-N 3.07Å; A991-E994 PolarHBondContact O-N 3.33Å; A991-D995 WeakPolarHBondContact O-CB 3.15Å; A991-D995 PolarHBondContact O-N 3.31Å |
| 992 | A | 57.9 | Low | 56.7 | Low | 78 Ų | 78 | 104.2 Ų | 104.2 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -23.5 | 165 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y990 | Y990-A992 VanDerWaalsContact C-N 3.29Å; Y990-A992 PolarHBondContact O-N 3.33Å |
| 993 | L | 56 | Low | 56.6 | Low | 115 Ų | 115 | 103.8 Ų | 103.8 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -92.8 | -30.1 | 173.2 | -94 | 145.9 | 0 | 0 | 0 | 112.1 | Y990 A991 A996 H997 | Y990-L993 CarbonylContact O-C 3.59Å; Y990-L993 VanDerWaalsContact O-C 3.31Å; Y990-L993 WeakPolarHBondContact O-CA 3.48Å; Y990-L993 WeakPolarHBondContact O-CB 3.18Å; Y990-L993 PolarHBondContact O-N 2.75Å; A991-L993 PolarHBondContact O-N 3.07Å; L993-A996 WeakPolarHBondContact O-CB 3.03Å; L993-A996 PolarHBondContact O-N 3.1Å; L993-H997 PolarHBondContact O-N 3.47Å |
| 994 | E | 56.4 | Low | 56.7 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -78.4 | -24.4 | -179.7 | -140.9 | 171.2 | -156.7 | 0 | 0 | 111.3 | Y990 A991 A996 H997 T998 | Y990-E994 HydrophobicContact CD1-CB 4.26Å; Y990-E994 HydrophobicContact CD1-CG 4.38Å; Y990-E994 HydrophobicContact CE1-CB 4.31Å; Y990-E994 HydrophobicContact CE1-CG 4.01Å; Y990-E994 WeakPolarHBondContact O-CB 3.32Å; Y990-E994 PolarHBondContact O-N 3.32Å; A991-E994 PolarHBondContact O-N 3.33Å; E994-A996 VanDerWaalsContact C-N 3.28Å; E994-A996 PolarHBondContact O-N 2.9Å; E994-H997 HydrophobicContact CG-CB 4.15Å; E994-H997 CarbonylContact O-C 3.58Å; E994-H997 VanDerWaalsContact O-CA 3.27Å; E994-H997 WeakPolarHBondContact O-CA 2.83Å; E994-H997 VanDerWaalsContact O-CB 3.24Å; E994-H997 WeakPolarHBondContact O-CB 3.09Å; E994-H997 PolarHBondContact O-N 3.42Å; E994-T998 WeakPolarHBondContact O-CG2 2.93Å; E994-T998 PolarHBondContact O-N 3.12Å; E994-T998 PolarHBondContact O-OG1 3.35Å |
| 995 | D | 56.8 | Low | 56.7 | Low | 120 Ų | 120 | 105.1 Ų | 105.1 | 64% | 0.642 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.4 | -21.1 | 169.6 | -141.3 | 28.7 | 0 | 0 | 0 | 112.8 | A991 T998 | A991-D995 WeakPolarHBondContact O-CB 3.15Å; A991-D995 PolarHBondContact O-N 3.31Å; D995-T998 WeakPolarHBondContact CA-OG1 3.14Å; D995-T998 PolarHBondContact O-OG1 3.38Å; D995-T998 PolarHBondContact OD1-OG1 2.95Å |
| 996 | A | 57.3 | Low | 56.7 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79.2 | -30 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L993 E994 L1000 | L993-A996 WeakPolarHBondContact O-CB 3.03Å; L993-A996 PolarHBondContact O-N 3.1Å; E994-A996 VanDerWaalsContact C-N 3.28Å; E994-A996 PolarHBondContact O-N 2.9Å; A996-L1000 PolarHBondContact O-N 3.43Å |
| 997 | H | 56.6 | Low | 56.8 | Low | 74 Ų | 74 | 98.4 Ų | 98.4 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -35.7 | 173.7 | -162 | 3.4 | 0 | 0 | 0 | 111.8 | L993 E994 K999 L1000 Q1001 | L993-H997 PolarHBondContact O-N 3.47Å; E994-H997 HydrophobicContact CG-CB 4.15Å; E994-H997 CarbonylContact O-C 3.58Å; E994-H997 VanDerWaalsContact O-CA 3.27Å; E994-H997 WeakPolarHBondContact O-CA 2.83Å; E994-H997 VanDerWaalsContact O-CB 3.24Å; E994-H997 WeakPolarHBondContact O-CB 3.09Å; E994-H997 PolarHBondContact O-N 3.42Å; H997-K999 VanDerWaalsContact C-N 3.34Å; H997-K999 PolarHBondContact O-N 3.24Å; H997-L1000 CarbonylContact O-C 3.59Å; H997-L1000 WeakPolarHBondContact O-CA 3.35Å; H997-L1000 WeakPolarHBondContact O-CB 3.33Å; H997-L1000 PolarHBondContact O-N 2.79Å; H997-L1000 VanDerWaalsContact O-N 3.08Å; H997-Q1001 WeakPolarHBondContact O-CA 3.3Å; H997-Q1001 WeakPolarHBondContact O-CB 3.05Å; H997-Q1001 PolarHBondContact O-N 3.2Å |
| 998 | T | 58.2 | Low | 57.1 | Low | 54 Ų | 54 | 98.1 Ų | 98.1 | 33% | 0.331 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -27.2 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | E994 D995 Q1001 K1002 | E994-T998 WeakPolarHBondContact O-CG2 2.93Å; E994-T998 PolarHBondContact O-N 3.12Å; E994-T998 PolarHBondContact O-OG1 3.35Å; D995-T998 WeakPolarHBondContact CA-OG1 3.14Å; D995-T998 PolarHBondContact O-OG1 3.38Å; D995-T998 PolarHBondContact OD1-OG1 2.95Å; T998-Q1001 CarbonylContact O-C 3.41Å; T998-Q1001 PolarHBondContact O-N 3.35Å; T998-K1002 PolarHBondContact O-N 2.92Å; T998-K1002 VanDerWaalsContact O-N 3.07Å |
| 999 | K | 58.2 | Low | 57.2 | Low | 168 Ų | 168 | 97 Ų | 97 | 73% | 0.73 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.6 | -43.6 | 167 | -87.6 | 178.9 | 178.3 | 170.3 | 0 | 112 | H997 Q1001 K1002 | H997-K999 VanDerWaalsContact C-N 3.34Å; H997-K999 PolarHBondContact O-N 3.24Å; K999-Q1001 PolarHBondContact O-N 2.81Å; K999-K1002 PolarHBondContact O-N 3.34Å |
| 1000 | L | 56.5 | Low | 57.4 | Low | 109 Ų | 109 | 102.2 Ų | 102.2 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.6 | -25.9 | 170.7 | -90.5 | 156.9 | 0 | 0 | 0 | 112 | A996 H997 K1002 E1003 K1004 | A996-L1000 PolarHBondContact O-N 3.43Å; H997-L1000 CarbonylContact O-C 3.59Å; H997-L1000 WeakPolarHBondContact O-CA 3.35Å; H997-L1000 WeakPolarHBondContact O-CB 3.33Å; H997-L1000 PolarHBondContact O-N 2.79Å; H997-L1000 VanDerWaalsContact O-N 3.08Å; L1000-K1002 VanDerWaalsContact C-N 3.31Å; L1000-E1003 PolarHBondContact O-N 3.18Å; L1000-K1004 WeakPolarHBondContact O-CA 3.46Å; L1000-K1004 VanDerWaalsContact O-CB 3.23Å; L1000-K1004 WeakPolarHBondContact O-CB 3.43Å; L1000-K1004 PolarHBondContact O-N 2.76Å |
| 1001 | Q | 55.7 | Low | 57.7 | Low | 76 Ų | 76 | 100 Ų | 100 | 36% | 0.355 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -81.8 | -11.2 | 178.5 | -151.8 | 174.4 | 4.8 | 0 | 0 | 111.9 | H997 T998 K999 K1004 K1005 | H997-Q1001 WeakPolarHBondContact O-CA 3.3Å; H997-Q1001 WeakPolarHBondContact O-CB 3.05Å; H997-Q1001 PolarHBondContact O-N 3.2Å; T998-Q1001 CarbonylContact O-C 3.41Å; T998-Q1001 PolarHBondContact O-N 3.35Å; K999-Q1001 PolarHBondContact O-N 2.81Å; Q1001-K1004 HydrophobicContact CG-CD 4.46Å; Q1001-K1005 WeakPolarHBondContact O-CA 3.31Å; Q1001-K1005 WeakPolarHBondContact O-CB 3.39Å; Q1001-K1005 WeakPolarHBondContact O-CG 3.25Å; Q1001-K1005 PolarHBondContact O-N 2.85Å |
| 1002 | K | 58 | Low | 57.9 | Low | 162 Ų | 162 | 100.1 Ų | 100.1 | 70% | 0.704 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -82.8 | -33.8 | 165.6 | -79.8 | -179.5 | 178.7 | 177.6 | 0 | 112.2 | T998 K999 L1000 K1005 A1006 | T998-K1002 PolarHBondContact O-N 2.92Å; T998-K1002 VanDerWaalsContact O-N 3.07Å; K999-K1002 PolarHBondContact O-N 3.34Å; L1000-K1002 VanDerWaalsContact C-N 3.31Å; K1002-K1005 CarbonylContact O-C 3.31Å; K1002-K1005 PolarHBondContact O-N 2.86Å; K1002-A1006 PolarHBondContact O-N 3.33Å |
| 1003 | E | 57.8 | Low | 58.1 | Low | 132 Ų | 132 | 101.3 Ų | 101.3 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -76.1 | -35.7 | 166.3 | -74.8 | -174.4 | 156.2 | 0 | 0 | 111.6 | L1000 K1005 A1006 I1007 | L1000-E1003 PolarHBondContact O-N 3.18Å; E1003-K1005 VanDerWaalsContact C-N 3.32Å; E1003-A1006 PolarHBondContact O-N 2.92Å; E1003-I1007 WeakPolarHBondContact O-CB 3.38Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.04Å; E1003-I1007 PolarHBondContact O-N 2.68Å |
| 1004 | K | 53.9 | Low | 58.1 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 41% | 0.409 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 166.4 | -146 | -165.8 | 178.3 | -143.3 | 0 | 109.2 | L1000 Q1001 I1007 E1008 | L1000-K1004 WeakPolarHBondContact O-CA 3.46Å; L1000-K1004 VanDerWaalsContact O-CB 3.23Å; L1000-K1004 WeakPolarHBondContact O-CB 3.43Å; L1000-K1004 PolarHBondContact O-N 2.76Å; Q1001-K1004 HydrophobicContact CG-CD 4.46Å; K1004-I1007 CarbonylContact O-C 3.59Å; K1004-I1007 PolarHBondContact O-N 2.8Å; K1004-E1008 VanDerWaalsContact CD-CD 3.48Å; K1004-E1008 HydrophobicContact CD-CG 4.43Å; K1004-E1008 WeakPolarHBondContact CD-OE1 3.32Å; K1004-E1008 WeakPolarHBondContact CE-OE1 3.4Å; K1004-E1008 VanDerWaalsContact CG-CD 3.41Å; K1004-E1008 HydrophobicContact CG-CG 3.88Å; K1004-E1008 WeakPolarHBondContact CG-OE1 3.24Å; K1004-E1008 IonicContact NZ-OE1 3.33Å; K1004-E1008 PolarHBondContact NZ-OE1 2.83Å; K1004-E1008 WeakPolarHBondContact O-CA 3.41Å; K1004-E1008 WeakPolarHBondContact O-CB 3.3Å; K1004-E1008 WeakPolarHBondContact O-CG 3.4Å; K1004-E1008 PolarHBondContact O-N 3.41Å |
| 1005 | K | 57.9 | Low | 58.5 | Low | 125 Ų | 125 | 97.7 Ų | 97.7 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -29.1 | 171.1 | -102.8 | -177.4 | 170 | -176.9 | 0 | 113.6 | Q1001 K1002 E1003 I1007 E1008 E1009 | Q1001-K1005 WeakPolarHBondContact O-CA 3.31Å; Q1001-K1005 WeakPolarHBondContact O-CB 3.39Å; Q1001-K1005 WeakPolarHBondContact O-CG 3.25Å; Q1001-K1005 PolarHBondContact O-N 2.85Å; K1002-K1005 CarbonylContact O-C 3.31Å; K1002-K1005 PolarHBondContact O-N 2.86Å; E1003-K1005 VanDerWaalsContact C-N 3.32Å; K1005-I1007 VanDerWaalsContact C-N 3.34Å; K1005-E1008 CarbonylContact O-C 3.42Å; K1005-E1009 VanDerWaalsContact O-CA 3.29Å; K1005-E1009 WeakPolarHBondContact O-CA 3.34Å; K1005-E1009 WeakPolarHBondContact O-CB 2.98Å; K1005-E1009 WeakPolarHBondContact O-CG 3.14Å; K1005-E1009 PolarHBondContact O-N 2.7Å |
| 1006 | A | 59.8 | Low | 58.8 | Low | 50 Ų | 50 | 94.5 Ų | 94.5 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.3 | -29.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1002 E1003 R1010 | K1002-A1006 PolarHBondContact O-N 3.33Å; E1003-A1006 PolarHBondContact O-N 2.92Å; A1006-R1010 PolarHBondContact O-N 3.28Å; A1006-R1010 VanDerWaalsContact O-N 3.07Å |
| 1007 | I | 60.4 | Low | 59 | Low | 106 Ų | 106 | 98.8 Ų | 98.8 | 54% | 0.544 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -90.8 | -22.3 | 176.9 | -66.7 | 172.5 | 0 | 0 | 0 | 112 | E1003 K1004 K1005 R1010 C1011 | E1003-I1007 WeakPolarHBondContact O-CB 3.38Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.04Å; E1003-I1007 PolarHBondContact O-N 2.68Å; K1004-I1007 CarbonylContact O-C 3.59Å; K1004-I1007 PolarHBondContact O-N 2.8Å; K1005-I1007 VanDerWaalsContact C-N 3.34Å; I1007-R1010 CarbonylContact O-C 3.27Å; I1007-C1011 VanDerWaalsContact O-CA 3.26Å; I1007-C1011 WeakPolarHBondContact O-CA 2.79Å; I1007-C1011 WeakPolarHBondContact O-CB 3.14Å; I1007-C1011 PolarHBondContact O-N 2.8Å; I1007-C1011 PolarHBondContact O-SG 3.37Å |
| 1008 | E | 58.1 | Low | 59.2 | Low | 65 Ų | 65 | 99.9 Ų | 99.9 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -94.3 | -14.9 | 171.2 | -71.6 | 168.5 | 151.9 | 0 | 0 | 108.9 | K1004 K1005 A1012 | K1004-E1008 VanDerWaalsContact CD-CD 3.48Å; K1004-E1008 HydrophobicContact CD-CG 4.43Å; K1004-E1008 WeakPolarHBondContact CD-OE1 3.32Å; K1004-E1008 WeakPolarHBondContact CE-OE1 3.4Å; K1004-E1008 VanDerWaalsContact CG-CD 3.41Å; K1004-E1008 HydrophobicContact CG-CG 3.88Å; K1004-E1008 WeakPolarHBondContact CG-OE1 3.24Å; K1004-E1008 IonicContact NZ-OE1 3.33Å; K1004-E1008 PolarHBondContact NZ-OE1 2.83Å; K1004-E1008 WeakPolarHBondContact O-CA 3.41Å; K1004-E1008 WeakPolarHBondContact O-CB 3.3Å; K1004-E1008 WeakPolarHBondContact O-CG 3.4Å; K1004-E1008 PolarHBondContact O-N 3.41Å; K1005-E1008 CarbonylContact O-C 3.42Å; E1008-A1012 VanDerWaalsContact C-N 3.35Å; E1008-A1012 WeakPolarHBondContact O-CA 3.12Å; E1008-A1012 WeakPolarHBondContact O-CB 3.33Å; E1008-A1012 PolarHBondContact O-N 3.38Å |
| 1009 | E | 60.4 | Low | 59.5 | Low | 123 Ų | 123 | 101.1 Ų | 101.1 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -81.4 | -30.4 | 157.7 | -79 | 166.6 | 178.4 | 0 | 0 | 107.7 | K1005 E1013 | K1005-E1009 VanDerWaalsContact O-CA 3.29Å; K1005-E1009 WeakPolarHBondContact O-CA 3.34Å; K1005-E1009 WeakPolarHBondContact O-CB 2.98Å; K1005-E1009 WeakPolarHBondContact O-CG 3.14Å; K1005-E1009 PolarHBondContact O-N 2.7Å; E1009-E1013 VanDerWaalsContact O-CA 3.25Å; E1009-E1013 WeakPolarHBondContact O-CA 2.73Å; E1009-E1013 WeakPolarHBondContact O-CB 2.71Å; E1009-E1013 PolarHBondContact O-N 3.26Å |
| 1010 | R | 60 | Low | 59.7 | Low | 184 Ų | 184 | 97.5 Ų | 97.5 | 69% | 0.694 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -79.6 | -26.4 | 166.5 | -78 | -176.3 | -160.7 | 160 | 9 | 114.8 | A1006 I1007 S1014 | A1006-R1010 PolarHBondContact O-N 3.28Å; A1006-R1010 VanDerWaalsContact O-N 3.07Å; I1007-R1010 CarbonylContact O-C 3.27Å; R1010-S1014 WeakPolarHBondContact O-CA 3.15Å; R1010-S1014 WeakPolarHBondContact O-CB 2.84Å; R1010-S1014 PolarHBondContact O-N 2.81Å; R1010-S1014 PolarHBondContact O-OG 2.93Å |
| 1011 | C | 60.2 | Low | 59.8 | Low | 68 Ų | 68 | 97.6 Ų | 97.6 | 46% | 0.459 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -100.7 | -12.1 | 178.5 | -77.4 | 0 | 0 | 0 | 0 | 111.7 | I1007 S1015 | I1007-C1011 VanDerWaalsContact O-CA 3.26Å; I1007-C1011 WeakPolarHBondContact O-CA 2.79Å; I1007-C1011 WeakPolarHBondContact O-CB 3.14Å; I1007-C1011 PolarHBondContact O-N 2.8Å; I1007-C1011 PolarHBondContact O-SG 3.37Å; C1011-S1015 VanDerWaalsContact C-N 3.34Å; C1011-S1015 WeakPolarHBondContact O-CA 3.29Å; C1011-S1015 WeakPolarHBondContact O-CB 3.47Å; C1011-S1015 PolarHBondContact O-N 2.64Å; C1011-S1015 PolarHBondContact O-OG 2.97Å |
| 1012 | A | 60.8 | Low | 60.2 | Low | 52 Ų | 52 | 98 Ų | 98 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -106.2 | -5.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1008 S1016 | E1008-A1012 VanDerWaalsContact C-N 3.35Å; E1008-A1012 WeakPolarHBondContact O-CA 3.12Å; E1008-A1012 WeakPolarHBondContact O-CB 3.33Å; E1008-A1012 PolarHBondContact O-N 3.38Å; A1012-S1016 VanDerWaalsContact C-N 3.34Å; A1012-S1016 WeakPolarHBondContact O-CA 3.25Å; A1012-S1016 WeakPolarHBondContact O-CB 3.31Å; A1012-S1016 PolarHBondContact O-N 2.63Å |
| 1013 | E | 60.7 | Low | 60.6 | Low | 103 Ų | 103 | 94.8 Ų | 94.8 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -84.2 | -29 | 151 | -166 | -176.7 | -170.4 | 0 | 0 | 109 | E1009 R1017 | E1009-E1013 VanDerWaalsContact O-CA 3.25Å; E1009-E1013 WeakPolarHBondContact O-CA 2.73Å; E1009-E1013 WeakPolarHBondContact O-CB 2.71Å; E1009-E1013 PolarHBondContact O-N 3.26Å; E1013-R1017 WeakPolarHBondContact O-CA 2.81Å; E1013-R1017 WeakPolarHBondContact O-CB 3.15Å; E1013-R1017 VanDerWaalsContact O-CD 3.27Å; E1013-R1017 WeakPolarHBondContact O-CD 3.49Å; E1013-R1017 WeakPolarHBondContact O-CG 2.85Å; E1013-R1017 PolarHBondContact O-N 2.88Å; E1013-R1017 IonicContact OE1-CZ 3.69Å; E1013-R1017 IonicContact OE1-NH2 2.73Å; E1013-R1017 PolarHBondContact OE1-NH2 3.44Å |
| 1014 | S | 57.3 | Low | 60.7 | Low | 71 Ų | 71 | 93 Ų | 93 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -81.7 | -28.3 | 167.3 | -61 | 0 | 0 | 0 | 0 | 113.2 | R1010 R1017 L1018 | R1010-S1014 WeakPolarHBondContact O-CA 3.15Å; R1010-S1014 WeakPolarHBondContact O-CB 2.84Å; R1010-S1014 PolarHBondContact O-N 2.81Å; R1010-S1014 PolarHBondContact O-OG 2.93Å; S1014-R1017 CarbonylContact O-C 3.41Å; S1014-L1018 WeakPolarHBondContact O-CA 3.42Å; S1014-L1018 WeakPolarHBondContact O-CB 3.23Å; S1014-L1018 PolarHBondContact O-N 2.74Å |
| 1015 | S | 63.1 | Low | 61.2 | Low | 56 Ų | 56 | 90.5 Ų | 90.5 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -9.7 | 171.8 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | C1011 L1018 N1019 | C1011-S1015 VanDerWaalsContact C-N 3.34Å; C1011-S1015 WeakPolarHBondContact O-CA 3.29Å; C1011-S1015 WeakPolarHBondContact O-CB 3.47Å; C1011-S1015 PolarHBondContact O-N 2.64Å; C1011-S1015 PolarHBondContact O-OG 2.97Å; S1015-L1018 CarbonylContact O-C 3.58Å; S1015-N1019 VanDerWaalsContact O-CA 3.31Å; S1015-N1019 WeakPolarHBondContact O-CA 3.25Å; S1015-N1019 WeakPolarHBondContact O-CB 2.86Å; S1015-N1019 PolarHBondContact O-N 2.78Å |
| 1016 | S | 63.3 | Low | 61.7 | Low | 54 Ų | 54 | 89.7 Ų | 89.7 | 38% | 0.378 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -87.6 | -20 | 153.3 | -167.7 | 0 | 0 | 0 | 0 | 109.6 | A1012 E1020 | A1012-S1016 VanDerWaalsContact C-N 3.34Å; A1012-S1016 WeakPolarHBondContact O-CA 3.25Å; A1012-S1016 WeakPolarHBondContact O-CB 3.31Å; A1012-S1016 PolarHBondContact O-N 2.63Å; S1016-E1020 WeakPolarHBondContact O-CA 3.36Å; S1016-E1020 WeakPolarHBondContact O-CB 3.49Å; S1016-E1020 WeakPolarHBondContact O-CG 2.8Å; S1016-E1020 PolarHBondContact O-N 2.97Å |
| 1017 | R | 62.8 | Low | 62 | Low | 149 Ų | 149 | 94.5 Ų | 94.5 | 56% | 0.562 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -78.9 | -23 | 157.5 | -73.6 | 168.1 | -165.5 | -175.8 | 9.6 | 111.4 | E1013 S1014 E1021 | E1013-R1017 WeakPolarHBondContact O-CA 2.81Å; E1013-R1017 WeakPolarHBondContact O-CB 3.15Å; E1013-R1017 VanDerWaalsContact O-CD 3.27Å; E1013-R1017 WeakPolarHBondContact O-CD 3.49Å; E1013-R1017 WeakPolarHBondContact O-CG 2.85Å; E1013-R1017 PolarHBondContact O-N 2.88Å; E1013-R1017 IonicContact OE1-CZ 3.69Å; E1013-R1017 IonicContact OE1-NH2 2.73Å; E1013-R1017 PolarHBondContact OE1-NH2 3.44Å; S1014-R1017 CarbonylContact O-C 3.41Å; R1017-E1021 VanDerWaalsContact O-CA 3.28Å; R1017-E1021 WeakPolarHBondContact O-CA 2.87Å; R1017-E1021 WeakPolarHBondContact O-CB 3.28Å; R1017-E1021 WeakPolarHBondContact O-CG 2.7Å; R1017-E1021 PolarHBondContact O-N 3.44Å |
| 1018 | L | 59.7 | Low | 62.1 | Low | 97 Ų | 97 | 93.4 Ų | 93.4 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -90.2 | -25 | 175.3 | -149.5 | 85.4 | 0 | 0 | 0 | 112 | S1014 S1015 E1021 E1022 | S1014-L1018 WeakPolarHBondContact O-CA 3.42Å; S1014-L1018 WeakPolarHBondContact O-CB 3.23Å; S1014-L1018 PolarHBondContact O-N 2.74Å; S1015-L1018 CarbonylContact O-C 3.58Å; L1018-E1021 CarbonylContact O-C 3.47Å; L1018-E1021 VanDerWaalsContact O-C 3.27Å; L1018-E1022 WeakPolarHBondContact O-CA 3.33Å; L1018-E1022 WeakPolarHBondContact O-CB 3.03Å; L1018-E1022 WeakPolarHBondContact O-CG 3.4Å; L1018-E1022 PolarHBondContact O-N 3.32Å |
| 1019 | N | 64.7 | Low | 62.4 | Low | 80 Ų | 80 | 92.6 Ų | 92.6 | 43% | 0.428 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -93.6 | -26.4 | 167.4 | -81.8 | -8 | 0 | 0 | 0 | 111 | S1015 E1021 D1023 | S1015-N1019 VanDerWaalsContact O-CA 3.31Å; S1015-N1019 WeakPolarHBondContact O-CA 3.25Å; S1015-N1019 WeakPolarHBondContact O-CB 2.86Å; S1015-N1019 PolarHBondContact O-N 2.78Å; N1019-E1021 VanDerWaalsContact C-N 3.25Å; N1019-D1023 WeakPolarHBondContact O-CA 3.32Å; N1019-D1023 WeakPolarHBondContact O-CB 3.28Å; N1019-D1023 PolarHBondContact O-N 2.83Å |
| 1020 | E | 62.2 | Low | 62.8 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.4 | -23.6 | 154.6 | -70.7 | 176.6 | -161.8 | 0 | 0 | 110 | S1016 K1024 | S1016-E1020 WeakPolarHBondContact O-CA 3.36Å; S1016-E1020 WeakPolarHBondContact O-CB 3.49Å; S1016-E1020 WeakPolarHBondContact O-CG 2.8Å; S1016-E1020 PolarHBondContact O-N 2.97Å; E1020-K1024 HydrophobicContact CB-CD 4.37Å; E1020-K1024 WeakPolarHBondContact O-CA 3.26Å; E1020-K1024 WeakPolarHBondContact O-CB 3Å; E1020-K1024 WeakPolarHBondContact O-CD 2.84Å; E1020-K1024 WeakPolarHBondContact O-CG 3.01Å; E1020-K1024 PolarHBondContact O-N 3.47Å; E1020-K1024 IonicContact OE2-NZ 2.71Å; E1020-K1024 PolarHBondContact OE2-NZ 3.41Å |
| 1021 | E | 59.3 | Low | 63 | Low | 111 Ų | 111 | 88.7 Ų | 88.7 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -88.2 | -13 | 168.5 | -76.5 | -89.8 | 155.2 | 0 | 0 | 112 | R1017 L1018 N1019 K1024 A1025 | R1017-E1021 VanDerWaalsContact O-CA 3.28Å; R1017-E1021 WeakPolarHBondContact O-CA 2.87Å; R1017-E1021 WeakPolarHBondContact O-CB 3.28Å; R1017-E1021 WeakPolarHBondContact O-CG 2.7Å; R1017-E1021 PolarHBondContact O-N 3.44Å; L1018-E1021 CarbonylContact O-C 3.47Å; L1018-E1021 VanDerWaalsContact O-C 3.27Å; N1019-E1021 VanDerWaalsContact C-N 3.25Å; E1021-K1024 CarbonylContact O-C 3.58Å; E1021-A1025 VanDerWaalsContact C-N 3.26Å; E1021-A1025 WeakPolarHBondContact O-CA 3.05Å; E1021-A1025 WeakPolarHBondContact O-CB 2.81Å; E1021-A1025 PolarHBondContact O-N 2.86Å |
| 1022 | E | 64.8 | Low | 63.4 | Low | 83 Ų | 83 | 90.7 Ų | 90.7 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -101.1 | -29.8 | 176.2 | -100.8 | -160.6 | -171.7 | 0 | 0 | 109.7 | L1018 A1025 K1026 | L1018-E1022 WeakPolarHBondContact O-CA 3.33Å; L1018-E1022 WeakPolarHBondContact O-CB 3.03Å; L1018-E1022 WeakPolarHBondContact O-CG 3.4Å; L1018-E1022 PolarHBondContact O-N 3.32Å; E1022-A1025 VanDerWaalsContact C-N 3.33Å; E1022-A1025 CarbonylContact O-C 3.54Å; E1022-A1025 VanDerWaalsContact O-C 3.29Å; E1022-A1025 PolarHBondContact O-N 2.8Å; E1022-K1026 VanDerWaalsContact O-CA 3.29Å; E1022-K1026 WeakPolarHBondContact O-CA 3.1Å; E1022-K1026 WeakPolarHBondContact O-CB 2.73Å; E1022-K1026 WeakPolarHBondContact O-CD 2.82Å; E1022-K1026 WeakPolarHBondContact O-CG 3.16Å; E1022-K1026 PolarHBondContact O-N 2.91Å; E1022-K1026 IonicContact OE2-NZ 3.73Å; E1022-K1026 PolarHBondContact OE2-NZ 2.91Å |
| 1023 | D | 64.8 | Low | 63.8 | Low | 96 Ų | 96 | 90.4 Ų | 90.4 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -85.8 | -26.8 | 162.2 | -64 | -36.3 | 0 | 0 | 0 | 109.3 | N1019 A1025 Y1027 | N1019-D1023 WeakPolarHBondContact O-CA 3.32Å; N1019-D1023 WeakPolarHBondContact O-CB 3.28Å; N1019-D1023 PolarHBondContact O-N 2.83Å; D1023-A1025 VanDerWaalsContact C-N 3.31Å; D1023-Y1027 WeakPolarHBondContact O-CA 2.72Å; D1023-Y1027 WeakPolarHBondContact O-CB 3.3Å; D1023-Y1027 PolarHBondContact O-N 3.31Å |
| 1024 | K | 61.4 | Low | 64.2 | Low | 93 Ų | 93 | 91.6 Ų | 91.6 | 40% | 0.404 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -76.4 | -12.3 | 154.2 | -61.7 | 156.8 | -160.2 | 154.2 | 0 | 111 | E1020 E1021 L1028 | E1020-K1024 HydrophobicContact CB-CD 4.37Å; E1020-K1024 WeakPolarHBondContact O-CA 3.26Å; E1020-K1024 WeakPolarHBondContact O-CB 3Å; E1020-K1024 WeakPolarHBondContact O-CD 2.84Å; E1020-K1024 WeakPolarHBondContact O-CG 3.01Å; E1020-K1024 PolarHBondContact O-N 3.47Å; E1020-K1024 IonicContact OE2-NZ 2.71Å; E1020-K1024 PolarHBondContact OE2-NZ 3.41Å; E1021-K1024 CarbonylContact O-C 3.58Å; K1024-L1028 VanDerWaalsContact C-N 3.34Å; K1024-L1028 HydrophobicContact CB-CD1 4.13Å; K1024-L1028 HydrophobicContact CB-CG 4.49Å; K1024-L1028 WeakPolarHBondContact O-CA 3.38Å; K1024-L1028 WeakPolarHBondContact O-CB 3.34Å; K1024-L1028 WeakPolarHBondContact O-CD1 3.37Å; K1024-L1028 WeakPolarHBondContact O-CG 2.95Å; K1024-L1028 PolarHBondContact O-N 3.46Å |
| 1025 | A | 63.3 | Low | 64.8 | Low | 43 Ų | 43 | 93.4 Ų | 93.4 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -103.6 | -3.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1021 E1022 D1023 L1028 A1029 | E1021-A1025 VanDerWaalsContact C-N 3.26Å; E1021-A1025 WeakPolarHBondContact O-CA 3.05Å; E1021-A1025 WeakPolarHBondContact O-CB 2.81Å; E1021-A1025 PolarHBondContact O-N 2.86Å; E1022-A1025 VanDerWaalsContact C-N 3.33Å; E1022-A1025 CarbonylContact O-C 3.54Å; E1022-A1025 VanDerWaalsContact O-C 3.29Å; E1022-A1025 PolarHBondContact O-N 2.8Å; D1023-A1025 VanDerWaalsContact C-N 3.31Å; A1025-L1028 CarbonylContact O-C 3.51Å; A1025-A1029 WeakPolarHBondContact O-CA 3.45Å; A1025-A1029 WeakPolarHBondContact O-CB 3.42Å; A1025-A1029 PolarHBondContact O-N 2.75Å |
| 1026 | K | 68.5 | Low | 65.2 | Low | 107 Ų | 107 | 95.2 Ų | 95.2 | 47% | 0.465 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -105.4 | -28.2 | 165.6 | -74.1 | 165.7 | -172.3 | 149.6 | 0 | 108.8 | E1022 A1029 R1030 | E1022-K1026 VanDerWaalsContact O-CA 3.29Å; E1022-K1026 WeakPolarHBondContact O-CA 3.1Å; E1022-K1026 WeakPolarHBondContact O-CB 2.73Å; E1022-K1026 WeakPolarHBondContact O-CD 2.82Å; E1022-K1026 WeakPolarHBondContact O-CG 3.16Å; E1022-K1026 PolarHBondContact O-N 2.91Å; E1022-K1026 IonicContact OE2-NZ 3.73Å; E1022-K1026 PolarHBondContact OE2-NZ 2.91Å; K1026-A1029 CarbonylContact O-C 3.58Å; K1026-R1030 WeakPolarHBondContact O-CA 3.22Å; K1026-R1030 WeakPolarHBondContact O-CB 3.05Å; K1026-R1030 WeakPolarHBondContact O-CG 2.79Å; K1026-R1030 PolarHBondContact O-N 2.79Å |
| 1027 | Y | 66.7 | Low | 65.7 | Low | 152 Ų | 152 | 98 Ų | 98 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.2 | -64.1 | 152.5 | -167 | -108 | 0 | 0 | 0 | 107.5 | D1023 A1029 R1030 L1031 | D1023-Y1027 WeakPolarHBondContact O-CA 2.72Å; D1023-Y1027 WeakPolarHBondContact O-CB 3.3Å; D1023-Y1027 PolarHBondContact O-N 3.31Å; Y1027-A1029 PolarHBondContact O-N 3.03Å; Y1027-R1030 CarbonylContact O-C 3.6Å; Y1027-R1030 PolarHBondContact O-N 3.48Å; Y1027-L1031 VanDerWaalsContact C-CB 3.5Å; Y1027-L1031 HydrophobicContact CD1-CB 4.27Å; Y1027-L1031 HydrophobicContact CD1-CD1 4.39Å; Y1027-L1031 HydrophobicContact CD1-CD2 3.98Å; Y1027-L1031 HydrophobicContact CD1-CG 4.47Å; Y1027-L1031 HydrophobicContact CE1-CB 4.5Å; Y1027-L1031 HydrophobicContact CE1-CD1 3.82Å; Y1027-L1031 HydrophobicContact CE1-CD2 3.72Å; Y1027-L1031 HydrophobicContact CE1-CG 4.24Å; Y1027-L1031 HydrophobicContact CE2-CD1 4.19Å; Y1027-L1031 HydrophobicContact CG-CB 4.44Å; Y1027-L1031 WeakPolarHBondContact O-CA 3.37Å; Y1027-L1031 WeakPolarHBondContact O-CB 2.74Å; Y1027-L1031 PolarHBondContact O-N 2.79Å |
| 1028 | L | 61.5 | Low | 66 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.6 | 11 | 164.8 | -54.6 | 151.9 | 0 | 0 | 0 | 114.4 | K1024 A1025 L1031 K1032 | K1024-L1028 VanDerWaalsContact C-N 3.34Å; K1024-L1028 HydrophobicContact CB-CD1 4.13Å; K1024-L1028 HydrophobicContact CB-CG 4.49Å; K1024-L1028 WeakPolarHBondContact O-CA 3.38Å; K1024-L1028 WeakPolarHBondContact O-CB 3.34Å; K1024-L1028 WeakPolarHBondContact O-CD1 3.37Å; K1024-L1028 WeakPolarHBondContact O-CG 2.95Å; K1024-L1028 PolarHBondContact O-N 3.46Å; A1025-L1028 CarbonylContact O-C 3.51Å; L1028-L1031 HydrophobicContact CD2-CD2 4.42Å; L1028-K1032 WeakPolarHBondContact O-CA 3.25Å; L1028-K1032 WeakPolarHBondContact O-CB 2.68Å; L1028-K1032 PolarHBondContact O-N 2.75Å; L1028-K1032 VanDerWaalsContact O-N 3.14Å |
| 1029 | A | 65.9 | Low | 66.6 | Low | 48 Ų | 48 | 93.6 Ų | 93.6 | 40% | 0.397 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -116.2 | -16.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1025 K1026 Y1027 A1033 | A1025-A1029 WeakPolarHBondContact O-CA 3.45Å; A1025-A1029 WeakPolarHBondContact O-CB 3.42Å; A1025-A1029 PolarHBondContact O-N 2.75Å; K1026-A1029 CarbonylContact O-C 3.58Å; Y1027-A1029 PolarHBondContact O-N 3.03Å; A1029-A1033 VanDerWaalsContact C-N 3.34Å; A1029-A1033 VanDerWaalsContact O-CA 3.26Å; A1029-A1033 WeakPolarHBondContact O-CA 3.25Å; A1029-A1033 WeakPolarHBondContact O-CB 3.35Å; A1029-A1033 PolarHBondContact O-N 2.73Å |
| 1030 | R | 68.1 | Low | 67.2 | Low | 198 Ų | 198 | 92.7 Ų | 92.7 | 75% | 0.747 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -90.4 | -18.3 | 163 | -73.8 | 175.9 | 177.8 | 171.8 | 0.4 | 112.4 | K1026 Y1027 K1034 | K1026-R1030 WeakPolarHBondContact O-CA 3.22Å; K1026-R1030 WeakPolarHBondContact O-CB 3.05Å; K1026-R1030 WeakPolarHBondContact O-CG 2.79Å; K1026-R1030 PolarHBondContact O-N 2.79Å; Y1027-R1030 CarbonylContact O-C 3.6Å; Y1027-R1030 PolarHBondContact O-N 3.48Å; R1030-K1034 VanDerWaalsContact C-N 3.33Å; R1030-K1034 VanDerWaalsContact O-CA 3.32Å; R1030-K1034 WeakPolarHBondContact O-CA 3.47Å; R1030-K1034 WeakPolarHBondContact O-CB 3.42Å; R1030-K1034 WeakPolarHBondContact O-CG 3.33Å; R1030-K1034 PolarHBondContact O-N 3.43Å |
| 1031 | L | 63.3 | Low | 67.6 | Low | 27 Ų | 27 | 93.3 Ų | 93.3 | 14% | 0.141 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -101.8 | -27 | 172.3 | -155.4 | 93.5 | 0 | 0 | 0 | 106.9 | Y1027 L1028 Y1035 | Y1027-L1031 VanDerWaalsContact C-CB 3.5Å; Y1027-L1031 HydrophobicContact CD1-CB 4.27Å; Y1027-L1031 HydrophobicContact CD1-CD1 4.39Å; Y1027-L1031 HydrophobicContact CD1-CD2 3.98Å; Y1027-L1031 HydrophobicContact CD1-CG 4.47Å; Y1027-L1031 HydrophobicContact CE1-CB 4.5Å; Y1027-L1031 HydrophobicContact CE1-CD1 3.82Å; Y1027-L1031 HydrophobicContact CE1-CD2 3.72Å; Y1027-L1031 HydrophobicContact CE1-CG 4.24Å; Y1027-L1031 HydrophobicContact CE2-CD1 4.19Å; Y1027-L1031 HydrophobicContact CG-CB 4.44Å; Y1027-L1031 WeakPolarHBondContact O-CA 3.37Å; Y1027-L1031 WeakPolarHBondContact O-CB 2.74Å; Y1027-L1031 PolarHBondContact O-N 2.79Å; L1028-L1031 HydrophobicContact CD2-CD2 4.42Å; L1031-Y1035 HydrophobicContact CB-CD2 4.45Å; L1031-Y1035 HydrophobicContact CB-CE2 4.41Å; L1031-Y1035 HydrophobicContact CD1-CE2 4.39Å; L1031-Y1035 HydrophobicContact CD2-CD2 3.98Å; L1031-Y1035 HydrophobicContact CD2-CE2 3.2Å; L1031-Y1035 HydrophobicContact CG-CD2 3.81Å; L1031-Y1035 HydrophobicContact CG-CE1 4.43Å; L1031-Y1035 HydrophobicContact CG-CE2 3.36Å; L1031-Y1035 HydrophobicContact CG-CG 4.49Å; L1031-Y1035 WeakPolarHBondContact O-CA 3.13Å; L1031-Y1035 WeakPolarHBondContact O-CB 3.11Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.23Å; L1031-Y1035 PolarHBondContact O-N 2.74Å |
| 1032 | K | 70.1 | Confident | 68 | Low | 110 Ų | 110 | 92.4 Ų | 92.4 | 48% | 0.478 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -83.1 | -17.8 | 154.8 | -180 | -178.7 | -177.2 | -83.6 | 0 | 112.7 | L1028 Y1035 E1036 | L1028-K1032 WeakPolarHBondContact O-CA 3.25Å; L1028-K1032 WeakPolarHBondContact O-CB 2.68Å; L1028-K1032 PolarHBondContact O-N 2.75Å; L1028-K1032 VanDerWaalsContact O-N 3.14Å; K1032-Y1035 CarbonylContact O-C 3.58Å; K1032-E1036 WeakPolarHBondContact CE-OE1 3.14Å; K1032-E1036 HydrophobicContact CG-CG 3.84Å; K1032-E1036 WeakPolarHBondContact CG-OE1 3.42Å; K1032-E1036 IonicContact NZ-OE1 2.84Å; K1032-E1036 PolarHBondContact NZ-OE1 3.41Å; K1032-E1036 WeakPolarHBondContact O-CA 3.4Å; K1032-E1036 WeakPolarHBondContact O-CB 3.4Å; K1032-E1036 WeakPolarHBondContact O-CG 3.04Å; K1032-E1036 PolarHBondContact O-N 3.37Å |
| 1033 | A | 69.5 | Low | 68.4 | Low | 45 Ų | 45 | 93.1 Ų | 93.1 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -86.6 | -32.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1029 E1036 M1037 | A1029-A1033 VanDerWaalsContact C-N 3.34Å; A1029-A1033 VanDerWaalsContact O-CA 3.26Å; A1029-A1033 WeakPolarHBondContact O-CA 3.25Å; A1029-A1033 WeakPolarHBondContact O-CB 3.35Å; A1029-A1033 PolarHBondContact O-N 2.73Å; A1033-E1036 CarbonylContact O-C 3.35Å; A1033-E1036 PolarHBondContact O-N 2.77Å; A1033-M1037 WeakPolarHBondContact O-CA 3.06Å; A1033-M1037 WeakPolarHBondContact O-CB 2.95Å; A1033-M1037 PolarHBondContact O-N 3.49Å |
| 1034 | K | 68.6 | Low | 68.7 | Low | 129 Ų | 129 | 94 Ų | 94 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.2 | -36.2 | 163.2 | -103 | -177.6 | 166.4 | 178.5 | 0 | 110.5 | R1030 E1036 Q1038 | R1030-K1034 VanDerWaalsContact C-N 3.33Å; R1030-K1034 VanDerWaalsContact O-CA 3.32Å; R1030-K1034 WeakPolarHBondContact O-CA 3.47Å; R1030-K1034 WeakPolarHBondContact O-CB 3.42Å; R1030-K1034 WeakPolarHBondContact O-CG 3.33Å; R1030-K1034 PolarHBondContact O-N 3.43Å; K1034-E1036 VanDerWaalsContact C-N 3.33Å; K1034-Q1038 WeakPolarHBondContact O-CA 3.49Å; K1034-Q1038 WeakPolarHBondContact O-CB 2.91Å; K1034-Q1038 WeakPolarHBondContact O-CG 3.32Å; K1034-Q1038 PolarHBondContact O-N 3.33Å |
| 1035 | Y | 69.5 | Low | 69 | Low | 109 Ų | 109 | 92.7 Ų | 92.7 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -86.1 | 4.6 | 168.6 | -56.4 | -43 | 0 | 0 | 0 | 110.9 | L1031 K1032 Q1038 I1039 | L1031-Y1035 HydrophobicContact CB-CD2 4.45Å; L1031-Y1035 HydrophobicContact CB-CE2 4.41Å; L1031-Y1035 HydrophobicContact CD1-CE2 4.39Å; L1031-Y1035 HydrophobicContact CD2-CD2 3.98Å; L1031-Y1035 HydrophobicContact CD2-CE2 3.2Å; L1031-Y1035 HydrophobicContact CG-CD2 3.81Å; L1031-Y1035 HydrophobicContact CG-CE1 4.43Å; L1031-Y1035 HydrophobicContact CG-CE2 3.36Å; L1031-Y1035 HydrophobicContact CG-CG 4.49Å; L1031-Y1035 WeakPolarHBondContact O-CA 3.13Å; L1031-Y1035 WeakPolarHBondContact O-CB 3.11Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.23Å; L1031-Y1035 PolarHBondContact O-N 2.74Å; K1032-Y1035 CarbonylContact O-C 3.58Å; Y1035-Q1038 VanDerWaalsContact CD1-OE1 3.24Å; Y1035-I1039 WeakPolarHBondContact O-CA 2.82Å; Y1035-I1039 WeakPolarHBondContact O-CB 2.83Å; Y1035-I1039 WeakPolarHBondContact O-CD1 3.29Å; Y1035-I1039 WeakPolarHBondContact O-CG1 3.3Å; Y1035-I1039 PolarHBondContact O-N 2.77Å |
| 1036 | E | 72.6 | Confident | 69.3 | Low | 93 Ų | 93 | 92.7 Ų | 92.7 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -111.6 | -18.4 | 169.3 | -86.8 | 165.8 | 172.9 | 0 | 0 | 108.2 | K1032 A1033 K1034 S1040 | K1032-E1036 WeakPolarHBondContact CE-OE1 3.14Å; K1032-E1036 HydrophobicContact CG-CG 3.84Å; K1032-E1036 WeakPolarHBondContact CG-OE1 3.42Å; K1032-E1036 IonicContact NZ-OE1 2.84Å; K1032-E1036 PolarHBondContact NZ-OE1 3.41Å; K1032-E1036 WeakPolarHBondContact O-CA 3.4Å; K1032-E1036 WeakPolarHBondContact O-CB 3.4Å; K1032-E1036 WeakPolarHBondContact O-CG 3.04Å; K1032-E1036 PolarHBondContact O-N 3.37Å; A1033-E1036 CarbonylContact O-C 3.35Å; A1033-E1036 PolarHBondContact O-N 2.77Å; K1034-E1036 VanDerWaalsContact C-N 3.33Å; E1036-S1040 VanDerWaalsContact C-N 3.28Å; E1036-S1040 WeakPolarHBondContact O-CA 3.31Å; E1036-S1040 WeakPolarHBondContact O-CB 3.31Å; E1036-S1040 PolarHBondContact O-N 2.84Å |
| 1037 | M | 72.6 | Confident | 69.5 | Low | 114 Ų | 114 | 91.5 Ų | 91.5 | 56% | 0.562 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -88.9 | -30.5 | 162.7 | -162.7 | -177.9 | 86.5 | 0 | 0 | 109.2 | A1033 E1041 | A1033-M1037 WeakPolarHBondContact O-CA 3.06Å; A1033-M1037 WeakPolarHBondContact O-CB 2.95Å; A1033-M1037 PolarHBondContact O-N 3.49Å; M1037-E1041 VanDerWaalsContact O-CA 3.31Å; M1037-E1041 WeakPolarHBondContact O-CA 3.29Å; M1037-E1041 WeakPolarHBondContact O-CB 3.44Å; M1037-E1041 WeakPolarHBondContact O-CG 3.16Å; M1037-E1041 PolarHBondContact O-N 2.75Å |
| 1038 | Q | 68.8 | Low | 69.7 | Low | 78 Ų | 78 | 89.4 Ų | 89.4 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -84.9 | -24.8 | 161.4 | -65.6 | 169.8 | -20.8 | 0 | 0 | 110.8 | K1034 Y1035 E1041 L1042 | K1034-Q1038 WeakPolarHBondContact O-CA 3.49Å; K1034-Q1038 WeakPolarHBondContact O-CB 2.91Å; K1034-Q1038 WeakPolarHBondContact O-CG 3.32Å; K1034-Q1038 PolarHBondContact O-N 3.33Å; Y1035-Q1038 VanDerWaalsContact CD1-OE1 3.24Å; Q1038-E1041 CarbonylContact O-C 3.56Å; Q1038-L1042 HydrophobicContact CB-CD1 4.33Å; Q1038-L1042 WeakPolarHBondContact O-CA 3.44Å; Q1038-L1042 WeakPolarHBondContact O-CB 3.14Å; Q1038-L1042 WeakPolarHBondContact O-CD1 3.04Å; Q1038-L1042 WeakPolarHBondContact O-CG 3.39Å; Q1038-L1042 PolarHBondContact O-N 2.92Å |
| 1039 | I | 73.3 | Confident | 69.8 | Low | 74 Ų | 74 | 89.3 Ų | 89.3 | 38% | 0.379 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -78.3 | -29.3 | 163.3 | -71.8 | 158.8 | 0 | 0 | 0 | 108.5 | Y1035 L1042 E1043 | Y1035-I1039 WeakPolarHBondContact O-CA 2.82Å; Y1035-I1039 WeakPolarHBondContact O-CB 2.83Å; Y1035-I1039 WeakPolarHBondContact O-CD1 3.29Å; Y1035-I1039 WeakPolarHBondContact O-CG1 3.3Å; Y1035-I1039 PolarHBondContact O-N 2.77Å; I1039-L1042 CarbonylContact O-C 3.55Å; I1039-L1042 PolarHBondContact O-N 2.82Å; I1039-E1043 HydrophobicContact CG2-CB 4.45Å; I1039-E1043 HydrophobicContact CG2-CG 3.51Å; I1039-E1043 VanDerWaalsContact CG2-OE1 3.32Å; I1039-E1043 WeakPolarHBondContact CG2-OE1 3.49Å; I1039-E1043 WeakPolarHBondContact O-CA 3.37Å; I1039-E1043 WeakPolarHBondContact O-CB 3.23Å; I1039-E1043 WeakPolarHBondContact O-CG 3.29Å; I1039-E1043 PolarHBondContact O-N 2.82Å |
| 1040 | S | 76.2 | Confident | 69.9 | Low | 61 Ų | 61 | 93.2 Ų | 93.2 | 43% | 0.427 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -76.8 | -33.7 | 171.2 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | E1036 E1043 E1044 | E1036-S1040 VanDerWaalsContact C-N 3.28Å; E1036-S1040 WeakPolarHBondContact O-CA 3.31Å; E1036-S1040 WeakPolarHBondContact O-CB 3.31Å; E1036-S1040 PolarHBondContact O-N 2.84Å; S1040-E1043 CarbonylContact O-C 3.49Å; S1040-E1043 PolarHBondContact O-N 3.46Å; S1040-E1044 WeakPolarHBondContact O-CA 3.34Å; S1040-E1044 WeakPolarHBondContact O-CB 3.41Å; S1040-E1044 PolarHBondContact O-N 2.99Å |
| 1041 | E | 70.7 | Confident | 70 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77.9 | -24.9 | 168.4 | -77.1 | 172.7 | 165.2 | 0 | 0 | 109.7 | M1037 Q1038 T1045 | M1037-E1041 VanDerWaalsContact O-CA 3.31Å; M1037-E1041 WeakPolarHBondContact O-CA 3.29Å; M1037-E1041 WeakPolarHBondContact O-CB 3.44Å; M1037-E1041 WeakPolarHBondContact O-CG 3.16Å; M1037-E1041 PolarHBondContact O-N 2.75Å; Q1038-E1041 CarbonylContact O-C 3.56Å; E1041-T1045 WeakPolarHBondContact O-CA 3.45Å; E1041-T1045 WeakPolarHBondContact O-CB 3.39Å; E1041-T1045 WeakPolarHBondContact O-CG2 3.24Å; E1041-T1045 PolarHBondContact O-N 2.94Å; E1041-T1045 PolarHBondContact O-OG1 3.3Å |
| 1042 | L | 67.7 | Low | 69.8 | Low | 93 Ų | 93 | 92.6 Ų | 92.6 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -94.8 | 17.4 | 166.1 | -59.4 | 158.6 | 0 | 0 | 0 | 111.2 | Q1038 I1039 T1045 L1046 | Q1038-L1042 HydrophobicContact CB-CD1 4.33Å; Q1038-L1042 WeakPolarHBondContact O-CA 3.44Å; Q1038-L1042 WeakPolarHBondContact O-CB 3.14Å; Q1038-L1042 WeakPolarHBondContact O-CD1 3.04Å; Q1038-L1042 WeakPolarHBondContact O-CG 3.39Å; Q1038-L1042 PolarHBondContact O-N 2.92Å; I1039-L1042 CarbonylContact O-C 3.55Å; I1039-L1042 PolarHBondContact O-N 2.82Å; L1042-T1045 VanDerWaalsContact CA-OG1 3.25Å; L1042-T1045 WeakPolarHBondContact CA-OG1 3.47Å; L1042-L1046 WeakPolarHBondContact O-CA 3.44Å; L1042-L1046 WeakPolarHBondContact O-CB 3.47Å; L1042-L1046 PolarHBondContact O-N 2.84Å |
| 1043 | E | 72.9 | Confident | 69.6 | Low | 98 Ų | 98 | 93 Ų | 93 | 46% | 0.458 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -130.8 | -21 | 173.3 | -88 | 174.9 | 173 | 0 | 0 | 107.4 | I1039 S1040 L1046 N1047 | I1039-E1043 HydrophobicContact CG2-CB 4.45Å; I1039-E1043 HydrophobicContact CG2-CG 3.51Å; I1039-E1043 VanDerWaalsContact CG2-OE1 3.32Å; I1039-E1043 WeakPolarHBondContact CG2-OE1 3.49Å; I1039-E1043 WeakPolarHBondContact O-CA 3.37Å; I1039-E1043 WeakPolarHBondContact O-CB 3.23Å; I1039-E1043 WeakPolarHBondContact O-CG 3.29Å; I1039-E1043 PolarHBondContact O-N 2.82Å; S1040-E1043 CarbonylContact O-C 3.49Å; S1040-E1043 PolarHBondContact O-N 3.46Å; E1043-L1046 CarbonylContact O-C 3.55Å; E1043-N1047 WeakPolarHBondContact O-CA 3.47Å; E1043-N1047 WeakPolarHBondContact O-CB 3.44Å; E1043-N1047 PolarHBondContact O-N 2.98Å; E1043-N1047 PolarHBondContact O-ND2 2.94Å; E1043-N1047 VanDerWaalsContact O-ND2 3.15Å |
| 1044 | E | 71.5 | Confident | 69.6 | Low | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -93.6 | -25.8 | 159.7 | -157.8 | -172.9 | -130.8 | 0 | 0 | 108.8 | S1040 K1048 | S1040-E1044 WeakPolarHBondContact O-CA 3.34Å; S1040-E1044 WeakPolarHBondContact O-CB 3.41Å; S1040-E1044 PolarHBondContact O-N 2.99Å; E1044-K1048 VanDerWaalsContact O-CA 3.25Å; E1044-K1048 WeakPolarHBondContact O-CA 3.43Å; E1044-K1048 WeakPolarHBondContact O-CB 3.38Å; E1044-K1048 WeakPolarHBondContact O-CD 3.48Å; E1044-K1048 WeakPolarHBondContact O-CG 3.27Å; E1044-K1048 PolarHBondContact O-N 2.86Å; E1044-K1048 IonicContact OE2-NZ 3.44Å |
| 1045 | T | 68 | Low | 69.6 | Low | 66 Ų | 66 | 96 Ų | 96 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -88.2 | -19 | 154.9 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | E1041 L1042 K1048 E1049 | E1041-T1045 WeakPolarHBondContact O-CA 3.45Å; E1041-T1045 WeakPolarHBondContact O-CB 3.39Å; E1041-T1045 WeakPolarHBondContact O-CG2 3.24Å; E1041-T1045 PolarHBondContact O-N 2.94Å; E1041-T1045 PolarHBondContact O-OG1 3.3Å; L1042-T1045 VanDerWaalsContact CA-OG1 3.25Å; L1042-T1045 WeakPolarHBondContact CA-OG1 3.47Å; T1045-K1048 CarbonylContact O-C 3.52Å; T1045-E1049 WeakPolarHBondContact O-CA 3.47Å; T1045-E1049 WeakPolarHBondContact O-CB 3.27Å; T1045-E1049 PolarHBondContact O-N 3.28Å |
| 1046 | L | 70 | Confident | 69.1 | Low | 42 Ų | 42 | 95.5 Ų | 95.5 | 22% | 0.22 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -87.5 | -12.1 | 160.5 | -177.8 | 77.6 | 0 | 0 | 0 | 112.1 | L1042 E1043 E1049 R1050 | L1042-L1046 WeakPolarHBondContact O-CA 3.44Å; L1042-L1046 WeakPolarHBondContact O-CB 3.47Å; L1042-L1046 PolarHBondContact O-N 2.84Å; E1043-L1046 CarbonylContact O-C 3.55Å; L1046-E1049 CarbonylContact O-C 3.59Å; L1046-E1049 VanDerWaalsContact O-C 3.25Å; L1046-R1050 VanDerWaalsContact C-N 3.33Å; L1046-R1050 HydrophobicContact CD1-CG 4.23Å; L1046-R1050 HydrophobicContact CG-CG 3.98Å; L1046-R1050 WeakPolarHBondContact O-CA 3.34Å; L1046-R1050 WeakPolarHBondContact O-CB 2.95Å; L1046-R1050 WeakPolarHBondContact O-CD 3.18Å; L1046-R1050 WeakPolarHBondContact O-CG 2.78Å; L1046-R1050 PolarHBondContact O-N 2.99Å |
| 1047 | N | 73 | Confident | 68.9 | Low | 82 Ų | 82 | 95.8 Ų | 95.8 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -95.2 | -25.6 | 164.1 | -77.6 | -30.2 | 0 | 0 | 0 | 110.4 | E1043 E1049 R1050 Q1051 | E1043-N1047 WeakPolarHBondContact O-CA 3.47Å; E1043-N1047 WeakPolarHBondContact O-CB 3.44Å; E1043-N1047 PolarHBondContact O-N 2.98Å; E1043-N1047 PolarHBondContact O-ND2 2.94Å; E1043-N1047 VanDerWaalsContact O-ND2 3.15Å; N1047-E1049 VanDerWaalsContact C-N 3.29Å; N1047-R1050 CarbonylContact O-C 3.58Å; N1047-Q1051 VanDerWaalsContact O-CA 3.25Å; N1047-Q1051 WeakPolarHBondContact O-CA 3.28Å; N1047-Q1051 WeakPolarHBondContact O-CB 3.27Å; N1047-Q1051 WeakPolarHBondContact O-CG 3.47Å; N1047-Q1051 PolarHBondContact O-N 3.5Å |
| 1048 | K | 69.5 | Low | 68.9 | Low | 109 Ų | 109 | 97.4 Ų | 97.4 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.6 | -19.9 | 158.3 | -73 | 165.3 | -179.7 | 160.7 | 0 | 110.5 | E1044 T1045 L1052 | E1044-K1048 VanDerWaalsContact O-CA 3.25Å; E1044-K1048 WeakPolarHBondContact O-CA 3.43Å; E1044-K1048 WeakPolarHBondContact O-CB 3.38Å; E1044-K1048 WeakPolarHBondContact O-CD 3.48Å; E1044-K1048 WeakPolarHBondContact O-CG 3.27Å; E1044-K1048 PolarHBondContact O-N 2.86Å; E1044-K1048 IonicContact OE2-NZ 3.44Å; T1045-K1048 CarbonylContact O-C 3.52Å; K1048-L1052 VanDerWaalsContact C-N 3.35Å; K1048-L1052 WeakPolarHBondContact O-CA 3.33Å; K1048-L1052 WeakPolarHBondContact O-CB 3.44Å; K1048-L1052 WeakPolarHBondContact O-CD1 3.2Å; K1048-L1052 WeakPolarHBondContact O-CG 3.46Å; K1048-L1052 PolarHBondContact O-N 3.03Å |
| 1049 | E | 63.3 | Low | 68.7 | Low | 80 Ų | 80 | 95.5 Ų | 95.5 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -103 | 5.8 | 169.3 | -162.3 | -152.1 | 156.8 | 0 | 0 | 110.1 | T1045 L1046 N1047 R1053 | T1045-E1049 WeakPolarHBondContact O-CA 3.47Å; T1045-E1049 WeakPolarHBondContact O-CB 3.27Å; T1045-E1049 PolarHBondContact O-N 3.28Å; L1046-E1049 CarbonylContact O-C 3.59Å; L1046-E1049 VanDerWaalsContact O-C 3.25Å; N1047-E1049 VanDerWaalsContact C-N 3.29Å; E1049-R1053 HydrophobicContact CG-CG 4.25Å; E1049-R1053 WeakPolarHBondContact O-CA 3.49Å; E1049-R1053 WeakPolarHBondContact O-CB 2.93Å; E1049-R1053 WeakPolarHBondContact O-CD 3.12Å; E1049-R1053 WeakPolarHBondContact O-CG 2.82Å; E1049-R1053 PolarHBondContact O-N 3.05Å; E1049-R1053 IonicContact OE1-CZ 3.9Å; E1049-R1053 VanDerWaalsContact OE1-CZ 3.3Å; E1049-R1053 IonicContact OE1-NE 3.71Å; E1049-R1053 PolarHBondContact OE1-NE 3.47Å; E1049-R1053 IonicContact OE1-NH2 2.68Å; E1049-R1053 PolarHBondContact OE1-NH2 3.48Å |
| 1050 | R | 69.3 | Low | 68.5 | Low | 130 Ų | 130 | 96.7 Ų | 96.7 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -113.1 | -21.3 | 162.9 | -81.7 | 166.1 | 173.1 | 177.3 | 1.3 | 110.2 | L1046 N1047 R1053 Q1054 | L1046-R1050 VanDerWaalsContact C-N 3.33Å; L1046-R1050 HydrophobicContact CD1-CG 4.23Å; L1046-R1050 HydrophobicContact CG-CG 3.98Å; L1046-R1050 WeakPolarHBondContact O-CA 3.34Å; L1046-R1050 WeakPolarHBondContact O-CB 2.95Å; L1046-R1050 WeakPolarHBondContact O-CD 3.18Å; L1046-R1050 WeakPolarHBondContact O-CG 2.78Å; L1046-R1050 PolarHBondContact O-N 2.99Å; N1047-R1050 CarbonylContact O-C 3.58Å; R1050-R1053 CarbonylContact O-C 3.31Å; R1050-Q1054 VanDerWaalsContact O-CA 3.26Å; R1050-Q1054 WeakPolarHBondContact O-CA 3.16Å; R1050-Q1054 WeakPolarHBondContact O-CB 3.08Å; R1050-Q1054 WeakPolarHBondContact O-CG 2.98Å; R1050-Q1054 PolarHBondContact O-N 3.31Å |
| 1051 | Q | 69.7 | Low | 68.3 | Low | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -80.3 | -46.7 | 154.3 | -72 | 178.6 | -27.6 | 0 | 0 | 106.8 | N1047 R1053 Q1054 E1055 | N1047-Q1051 VanDerWaalsContact O-CA 3.25Å; N1047-Q1051 WeakPolarHBondContact O-CA 3.28Å; N1047-Q1051 WeakPolarHBondContact O-CB 3.27Å; N1047-Q1051 WeakPolarHBondContact O-CG 3.47Å; N1047-Q1051 PolarHBondContact O-N 3.5Å; Q1051-R1053 PolarHBondContact O-N 3.45Å; Q1051-Q1054 CarbonylContact O-C 3.55Å; Q1051-Q1054 PolarHBondContact O-N 3.33Å; Q1051-E1055 WeakPolarHBondContact O-CA 3.31Å; Q1051-E1055 WeakPolarHBondContact O-CB 2.97Å; Q1051-E1055 WeakPolarHBondContact O-CG 3.27Å; Q1051-E1055 PolarHBondContact O-N 3.43Å |
| 1052 | L | 60.4 | Low | 68.3 | Low | 96 Ų | 96 | 104.1 Ų | 104.1 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70 | -10.7 | 164.4 | -66.5 | 152.1 | 0 | 0 | 0 | 112.4 | K1048 L1056 | K1048-L1052 VanDerWaalsContact C-N 3.35Å; K1048-L1052 WeakPolarHBondContact O-CA 3.33Å; K1048-L1052 WeakPolarHBondContact O-CB 3.44Å; K1048-L1052 WeakPolarHBondContact O-CD1 3.2Å; K1048-L1052 WeakPolarHBondContact O-CG 3.46Å; K1048-L1052 PolarHBondContact O-N 3.03Å; L1052-L1056 WeakPolarHBondContact O-CA 3.28Å; L1052-L1056 WeakPolarHBondContact O-CB 3.37Å; L1052-L1056 WeakPolarHBondContact O-CD1 3.36Å; L1052-L1056 PolarHBondContact O-N 3.11Å |
| 1053 | R | 65.1 | Low | 68 | Low | 119 Ų | 119 | 104 Ų | 104 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -98 | -12 | 161 | -74.4 | 164.2 | -168.9 | -167.9 | 7.7 | 115.2 | E1049 R1050 Q1051 L1056 E1057 | E1049-R1053 HydrophobicContact CG-CG 4.25Å; E1049-R1053 WeakPolarHBondContact O-CA 3.49Å; E1049-R1053 WeakPolarHBondContact O-CB 2.93Å; E1049-R1053 WeakPolarHBondContact O-CD 3.12Å; E1049-R1053 WeakPolarHBondContact O-CG 2.82Å; E1049-R1053 PolarHBondContact O-N 3.05Å; E1049-R1053 IonicContact OE1-CZ 3.9Å; E1049-R1053 VanDerWaalsContact OE1-CZ 3.3Å; E1049-R1053 IonicContact OE1-NE 3.71Å; E1049-R1053 PolarHBondContact OE1-NE 3.47Å; E1049-R1053 IonicContact OE1-NH2 2.68Å; E1049-R1053 PolarHBondContact OE1-NH2 3.48Å; R1050-R1053 CarbonylContact O-C 3.31Å; Q1051-R1053 PolarHBondContact O-N 3.45Å; R1053-L1056 HydrophobicContact CB-CB 4.42Å; R1053-L1056 HydrophobicContact CG-CB 4.44Å; R1053-L1056 CarbonylContact O-C 3.32Å; R1053-E1057 WeakPolarHBondContact O-CA 3.31Å; R1053-E1057 WeakPolarHBondContact O-CB 3.24Å; R1053-E1057 WeakPolarHBondContact O-CG 3.33Å; R1053-E1057 PolarHBondContact O-N 3.49Å |
| 1054 | Q | 69.2 | Low | 68 | Low | 115 Ų | 115 | 103.7 Ų | 103.7 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -97.3 | -21.7 | 168.1 | -80.2 | 178.4 | -1.9 | 0 | 0 | 110.4 | R1050 Q1051 E1057 K1058 | R1050-Q1054 VanDerWaalsContact O-CA 3.26Å; R1050-Q1054 WeakPolarHBondContact O-CA 3.16Å; R1050-Q1054 WeakPolarHBondContact O-CB 3.08Å; R1050-Q1054 WeakPolarHBondContact O-CG 2.98Å; R1050-Q1054 PolarHBondContact O-N 3.31Å; Q1051-Q1054 CarbonylContact O-C 3.55Å; Q1051-Q1054 PolarHBondContact O-N 3.33Å; Q1054-E1057 CarbonylContact O-C 3.56Å; Q1054-K1058 VanDerWaalsContact O-CA 3.29Å; Q1054-K1058 WeakPolarHBondContact O-CA 2.68Å; Q1054-K1058 WeakPolarHBondContact O-CB 3.43Å; Q1054-K1058 WeakPolarHBondContact O-CD 2.73Å; Q1054-K1058 WeakPolarHBondContact O-CG 3.26Å; Q1054-K1058 PolarHBondContact O-N 2.86Å |
| 1055 | E | 67.8 | Low | 68 | Low | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -87 | -29.7 | 157 | -59.4 | -176.6 | 167 | 0 | 0 | 108.1 | Q1051 E1057 A1059 | Q1051-E1055 WeakPolarHBondContact O-CA 3.31Å; Q1051-E1055 WeakPolarHBondContact O-CB 2.97Å; Q1051-E1055 WeakPolarHBondContact O-CG 3.27Å; Q1051-E1055 PolarHBondContact O-N 3.43Å; E1055-E1057 VanDerWaalsContact C-N 3.29Å; E1055-A1059 WeakPolarHBondContact O-CA 3.36Å; E1055-A1059 WeakPolarHBondContact O-CB 3.4Å; E1055-A1059 PolarHBondContact O-N 3.17Å |
| 1056 | L | 60.3 | Low | 68.1 | Low | 99 Ų | 99 | 102.4 Ų | 102.4 | 52% | 0.518 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.6 | -20.2 | 159 | -116.8 | 87 | 0 | 0 | 0 | 109.3 | L1052 R1053 A1059 K1060 | L1052-L1056 WeakPolarHBondContact O-CA 3.28Å; L1052-L1056 WeakPolarHBondContact O-CB 3.37Å; L1052-L1056 WeakPolarHBondContact O-CD1 3.36Å; L1052-L1056 PolarHBondContact O-N 3.11Å; R1053-L1056 HydrophobicContact CB-CB 4.42Å; R1053-L1056 HydrophobicContact CG-CB 4.44Å; R1053-L1056 CarbonylContact O-C 3.32Å; L1056-A1059 CarbonylContact O-C 3.45Å; L1056-K1060 VanDerWaalsContact C-N 3.28Å; L1056-K1060 WeakPolarHBondContact O-CA 3.01Å; L1056-K1060 WeakPolarHBondContact O-CB 3.32Å; L1056-K1060 PolarHBondContact O-N 3.07Å |
| 1057 | E | 68 | Low | 68.1 | Low | 98 Ų | 98 | 103.2 Ų | 103.2 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -101.3 | -16.8 | 177.6 | -85.8 | 176.6 | 129.4 | 0 | 0 | 111.2 | R1053 Q1054 E1055 K1060 R1061 | R1053-E1057 WeakPolarHBondContact O-CA 3.31Å; R1053-E1057 WeakPolarHBondContact O-CB 3.24Å; R1053-E1057 WeakPolarHBondContact O-CG 3.33Å; R1053-E1057 PolarHBondContact O-N 3.49Å; Q1054-E1057 CarbonylContact O-C 3.56Å; E1055-E1057 VanDerWaalsContact C-N 3.29Å; E1057-K1060 CarbonylContact O-C 3.42Å; E1057-R1061 VanDerWaalsContact O-CA 3.31Å; E1057-R1061 WeakPolarHBondContact O-CA 2.97Å; E1057-R1061 WeakPolarHBondContact O-CB 3.39Å; E1057-R1061 WeakPolarHBondContact O-CG 3.34Å; E1057-R1061 PolarHBondContact O-N 3.49Å |
| 1058 | K | 72.7 | Confident | 68.3 | Low | 149 Ų | 149 | 105.3 Ų | 105.3 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -87.6 | -28.9 | 161.3 | -76.8 | 169.3 | 179.8 | 176.8 | 0 | 109.9 | Q1054 K1062 | Q1054-K1058 VanDerWaalsContact O-CA 3.29Å; Q1054-K1058 WeakPolarHBondContact O-CA 2.68Å; Q1054-K1058 WeakPolarHBondContact O-CB 3.43Å; Q1054-K1058 WeakPolarHBondContact O-CD 2.73Å; Q1054-K1058 WeakPolarHBondContact O-CG 3.26Å; Q1054-K1058 PolarHBondContact O-N 2.86Å; K1058-K1062 VanDerWaalsContact O-CA 3.29Å; K1058-K1062 WeakPolarHBondContact O-CA 3.46Å; K1058-K1062 WeakPolarHBondContact O-CB 3.25Å; K1058-K1062 VanDerWaalsContact O-CG 3.27Å; K1058-K1062 WeakPolarHBondContact O-CG 2.85Å; K1058-K1062 PolarHBondContact O-N 3.4Å |
| 1059 | A | 64.9 | Low | 68.4 | Low | 38 Ų | 38 | 104 Ų | 104 | 31% | 0.314 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -87.8 | -4.8 | 163 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1055 L1056 L1063 | E1055-A1059 WeakPolarHBondContact O-CA 3.36Å; E1055-A1059 WeakPolarHBondContact O-CB 3.4Å; E1055-A1059 PolarHBondContact O-N 3.17Å; L1056-A1059 CarbonylContact O-C 3.45Å; A1059-L1063 HydrophobicContact CB-CD1 4.3Å; A1059-L1063 WeakPolarHBondContact O-CA 3.42Å; A1059-L1063 WeakPolarHBondContact O-CB 3.24Å; A1059-L1063 WeakPolarHBondContact O-CD1 3.21Å; A1059-L1063 VanDerWaalsContact O-CG 3.22Å; A1059-L1063 WeakPolarHBondContact O-CG 3.39Å; A1059-L1063 PolarHBondContact O-N 3.13Å |
| 1060 | K | 69.5 | Low | 68.6 | Low | 98 Ų | 98 | 103.8 Ų | 103.8 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -108.1 | -8.2 | 162.8 | 179.8 | -170.7 | -178.9 | -90.5 | 0 | 109.9 | L1056 E1057 L1063 E1064 | L1056-K1060 VanDerWaalsContact C-N 3.28Å; L1056-K1060 WeakPolarHBondContact O-CA 3.01Å; L1056-K1060 WeakPolarHBondContact O-CB 3.32Å; L1056-K1060 PolarHBondContact O-N 3.07Å; E1057-K1060 CarbonylContact O-C 3.42Å; K1060-L1063 CarbonylContact O-C 3.59Å; K1060-E1064 WeakPolarHBondContact CE-OE1 3.32Å; K1060-E1064 HydrophobicContact CG-CG 3.89Å; K1060-E1064 IonicContact NZ-OE1 3.06Å; K1060-E1064 PolarHBondContact NZ-OE1 3.31Å; K1060-E1064 WeakPolarHBondContact O-CA 3.36Å; K1060-E1064 WeakPolarHBondContact O-CB 3.34Å; K1060-E1064 WeakPolarHBondContact O-CG 3.38Å; K1060-E1064 PolarHBondContact O-N 3.42Å |
| 1061 | R | 70.5 | Confident | 68.8 | Low | 180 Ų | 180 | 104.3 Ų | 104.3 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -90.6 | -29.4 | 155.9 | -76.8 | 174.4 | -178 | -176.4 | 2.9 | 110.4 | E1057 A1065 | E1057-R1061 VanDerWaalsContact O-CA 3.31Å; E1057-R1061 WeakPolarHBondContact O-CA 2.97Å; E1057-R1061 WeakPolarHBondContact O-CB 3.39Å; E1057-R1061 WeakPolarHBondContact O-CG 3.34Å; E1057-R1061 PolarHBondContact O-N 3.49Å; R1061-A1065 VanDerWaalsContact O-CA 3.3Å; R1061-A1065 WeakPolarHBondContact O-CA 3.41Å; R1061-A1065 WeakPolarHBondContact O-CB 3.1Å; R1061-A1065 PolarHBondContact O-N 3.03Å |
| 1062 | K | 71.3 | Confident | 69 | Low | 142 Ų | 142 | 104.2 Ų | 104.2 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.8 | -37.3 | 159.7 | -80.9 | -178.9 | 166.3 | -171.3 | 0 | 110.1 | K1058 A1065 E1066 | K1058-K1062 VanDerWaalsContact O-CA 3.29Å; K1058-K1062 WeakPolarHBondContact O-CA 3.46Å; K1058-K1062 WeakPolarHBondContact O-CB 3.25Å; K1058-K1062 VanDerWaalsContact O-CG 3.27Å; K1058-K1062 WeakPolarHBondContact O-CG 2.85Å; K1058-K1062 PolarHBondContact O-N 3.4Å; K1062-A1065 CarbonylContact O-C 3.38Å; K1062-E1066 WeakPolarHBondContact O-CA 2.98Å; K1062-E1066 WeakPolarHBondContact O-CB 3.21Å; K1062-E1066 WeakPolarHBondContact O-CG 3.45Å; K1062-E1066 PolarHBondContact O-N 3.44Å |
| 1063 | L | 61.7 | Low | 69.3 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77 | -18.5 | 167.9 | -87.6 | 117.2 | 0 | 0 | 0 | 111.1 | A1059 K1060 E1066 V1067 | A1059-L1063 HydrophobicContact CB-CD1 4.3Å; A1059-L1063 WeakPolarHBondContact O-CA 3.42Å; A1059-L1063 WeakPolarHBondContact O-CB 3.24Å; A1059-L1063 WeakPolarHBondContact O-CD1 3.21Å; A1059-L1063 VanDerWaalsContact O-CG 3.22Å; A1059-L1063 WeakPolarHBondContact O-CG 3.39Å; A1059-L1063 PolarHBondContact O-N 3.13Å; K1060-L1063 CarbonylContact O-C 3.59Å; L1063-E1066 CarbonylContact O-C 3.6Å; L1063-V1067 WeakPolarHBondContact O-CA 3.06Å; L1063-V1067 WeakPolarHBondContact O-CB 2.99Å; L1063-V1067 WeakPolarHBondContact O-CG2 3.29Å; L1063-V1067 PolarHBondContact O-N 3.04Å |
| 1064 | E | 71.8 | Confident | 69.5 | Low | 91 Ų | 91 | 101.1 Ų | 101.1 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -89.6 | -27.5 | 171.7 | -80.7 | 160.2 | -179 | 0 | 0 | 110.4 | K1060 V1067 M1068 | K1060-E1064 WeakPolarHBondContact CE-OE1 3.32Å; K1060-E1064 HydrophobicContact CG-CG 3.89Å; K1060-E1064 IonicContact NZ-OE1 3.06Å; K1060-E1064 PolarHBondContact NZ-OE1 3.31Å; K1060-E1064 WeakPolarHBondContact O-CA 3.36Å; K1060-E1064 WeakPolarHBondContact O-CB 3.34Å; K1060-E1064 WeakPolarHBondContact O-CG 3.38Å; K1060-E1064 PolarHBondContact O-N 3.42Å; E1064-V1067 CarbonylContact O-C 3.53Å; E1064-M1068 WeakPolarHBondContact O-CA 3.12Å; E1064-M1068 WeakPolarHBondContact O-CB 3.15Å; E1064-M1068 PolarHBondContact O-N 2.97Å |
| 1065 | A | 72.7 | Confident | 69.8 | Low | 58 Ų | 58 | 98.1 Ų | 98.1 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -82.9 | -29 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1061 K1062 D1069 | R1061-A1065 VanDerWaalsContact O-CA 3.3Å; R1061-A1065 WeakPolarHBondContact O-CA 3.41Å; R1061-A1065 WeakPolarHBondContact O-CB 3.1Å; R1061-A1065 PolarHBondContact O-N 3.03Å; K1062-A1065 CarbonylContact O-C 3.38Å; A1065-D1069 WeakPolarHBondContact O-CA 3.42Å; A1065-D1069 WeakPolarHBondContact O-CB 3.39Å; A1065-D1069 PolarHBondContact O-N 3.27Å |
| 1066 | E | 69.1 | Low | 70.1 | Confident | 96 Ų | 96 | 97.9 Ų | 97.9 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -82.5 | -16.5 | 163.5 | -67.6 | 162.6 | -175.7 | 0 | 0 | 108.9 | K1062 L1063 L1070 | K1062-E1066 WeakPolarHBondContact O-CA 2.98Å; K1062-E1066 WeakPolarHBondContact O-CB 3.21Å; K1062-E1066 WeakPolarHBondContact O-CG 3.45Å; K1062-E1066 PolarHBondContact O-N 3.44Å; L1063-E1066 CarbonylContact O-C 3.6Å; E1066-L1070 HydrophobicContact CB-CD1 4.49Å; E1066-L1070 WeakPolarHBondContact O-CA 3.49Å; E1066-L1070 WeakPolarHBondContact O-CB 3.34Å; E1066-L1070 WeakPolarHBondContact O-CD1 2.93Å; E1066-L1070 WeakPolarHBondContact O-CG 3.44Å; E1066-L1070 PolarHBondContact O-N 3Å |
| 1067 | V | 71 | Confident | 70.3 | Confident | 58 Ų | 58 | 98.8 Ų | 98.8 | 35% | 0.352 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -92.2 | -13.9 | 165.4 | 167 | 0 | 0 | 0 | 0 | 109.8 | L1063 E1064 L1070 K1071 | L1063-V1067 WeakPolarHBondContact O-CA 3.06Å; L1063-V1067 WeakPolarHBondContact O-CB 2.99Å; L1063-V1067 WeakPolarHBondContact O-CG2 3.29Å; L1063-V1067 PolarHBondContact O-N 3.04Å; E1064-V1067 CarbonylContact O-C 3.53Å; V1067-L1070 CarbonylContact O-C 3.4Å; V1067-K1071 HydrophobicContact CG1-CD 4.29Å; V1067-K1071 HydrophobicContact CG1-CG 4.24Å; V1067-K1071 VanDerWaalsContact O-CA 3.24Å; V1067-K1071 WeakPolarHBondContact O-CA 2.82Å; V1067-K1071 WeakPolarHBondContact O-CB 3.19Å; V1067-K1071 WeakPolarHBondContact O-CD 3.31Å; V1067-K1071 WeakPolarHBondContact O-CG 3.02Å; V1067-K1071 PolarHBondContact O-N 3.27Å |
| 1068 | M | 75.8 | Confident | 70.5 | Confident | 126 Ų | 126 | 96.2 Ų | 96.2 | 62% | 0.621 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -84.4 | -43.3 | 165.8 | -115.1 | -175.6 | 61.7 | 0 | 0 | 108.7 | E1064 K1071 E1072 | E1064-M1068 WeakPolarHBondContact O-CA 3.12Å; E1064-M1068 WeakPolarHBondContact O-CB 3.15Å; E1064-M1068 PolarHBondContact O-N 2.97Å; M1068-K1071 CarbonylContact O-C 3.49Å; M1068-K1071 WeakPolarHBondContact O-CA 3.14Å; M1068-K1071 PolarHBondContact O-N 3.38Å; M1068-E1072 WeakPolarHBondContact O-CA 3.05Å; M1068-E1072 WeakPolarHBondContact O-CB 2.99Å; M1068-E1072 PolarHBondContact O-N 2.99Å |
| 1069 | D | 73.5 | Confident | 70.6 | Confident | 81 Ų | 81 | 94 Ų | 94 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76 | -27.4 | 172.3 | -157.5 | 62.6 | 0 | 0 | 0 | 109.7 | A1065 Q1073 | A1065-D1069 WeakPolarHBondContact O-CA 3.42Å; A1065-D1069 WeakPolarHBondContact O-CB 3.39Å; A1065-D1069 PolarHBondContact O-N 3.27Å; D1069-Q1073 WeakPolarHBondContact O-CA 3.48Å; D1069-Q1073 WeakPolarHBondContact O-CB 3.1Å; D1069-Q1073 WeakPolarHBondContact O-CG 3.43Å; D1069-Q1073 PolarHBondContact O-N 3.36Å; D1069-Q1073 PolarHBondContact OD2-NE2 3.23Å |
| 1070 | L | 65.6 | Low | 70.8 | Confident | 76 Ų | 76 | 97 Ų | 97 | 40% | 0.398 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -84.4 | -6.7 | 160.3 | -64.1 | 158.8 | 0 | 0 | 0 | 111.2 | E1066 V1067 V1074 | E1066-L1070 HydrophobicContact CB-CD1 4.49Å; E1066-L1070 WeakPolarHBondContact O-CA 3.49Å; E1066-L1070 WeakPolarHBondContact O-CB 3.34Å; E1066-L1070 WeakPolarHBondContact O-CD1 2.93Å; E1066-L1070 WeakPolarHBondContact O-CG 3.44Å; E1066-L1070 PolarHBondContact O-N 3Å; V1067-L1070 CarbonylContact O-C 3.4Å; L1070-V1074 VanDerWaalsContact C-N 3.29Å; L1070-V1074 VanDerWaalsContact O-CA 3.23Å; L1070-V1074 WeakPolarHBondContact O-CA 3.33Å; L1070-V1074 WeakPolarHBondContact O-CB 3.44Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.46Å; L1070-V1074 PolarHBondContact O-N 3.09Å |
| 1071 | K | 73.5 | Confident | 70.6 | Confident | 142 Ų | 142 | 97 Ų | 97 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -92 | -25 | 166.1 | -93.7 | 173.1 | 175.1 | -177.4 | 0 | 110.8 | V1067 M1068 V1074 S1075 | V1067-K1071 HydrophobicContact CG1-CD 4.29Å; V1067-K1071 HydrophobicContact CG1-CG 4.24Å; V1067-K1071 VanDerWaalsContact O-CA 3.24Å; V1067-K1071 WeakPolarHBondContact O-CA 2.82Å; V1067-K1071 WeakPolarHBondContact O-CB 3.19Å; V1067-K1071 WeakPolarHBondContact O-CD 3.31Å; V1067-K1071 WeakPolarHBondContact O-CG 3.02Å; V1067-K1071 PolarHBondContact O-N 3.27Å; M1068-K1071 CarbonylContact O-C 3.49Å; M1068-K1071 WeakPolarHBondContact O-CA 3.14Å; M1068-K1071 PolarHBondContact O-N 3.38Å; K1071-V1074 CarbonylContact O-C 2.93Å; K1071-S1075 WeakPolarHBondContact O-CA 3.48Å; K1071-S1075 WeakPolarHBondContact O-CB 3.03Å; K1071-S1075 PolarHBondContact O-N 3.28Å |
| 1072 | E | 74.4 | Confident | 70.7 | Confident | 115 Ų | 115 | 92.8 Ų | 92.8 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -90 | -38.3 | 177.6 | -161.2 | 163.8 | -146.1 | 0 | 0 | 107.4 | M1068 S1075 E1076 | M1068-E1072 WeakPolarHBondContact O-CA 3.05Å; M1068-E1072 WeakPolarHBondContact O-CB 2.99Å; M1068-E1072 PolarHBondContact O-N 2.99Å; E1072-S1075 WeakPolarHBondContact CA-OG 3.19Å; E1072-S1075 CarbonylContact O-C 3.57Å; E1072-S1075 PolarHBondContact O-N 3.14Å; E1072-S1075 PolarHBondContact O-OG 3.06Å; E1072-E1076 WeakPolarHBondContact O-CA 3.21Å; E1072-E1076 VanDerWaalsContact O-CB 3.26Å; E1072-E1076 WeakPolarHBondContact O-CB 2.71Å; E1072-E1076 PolarHBondContact O-N 3.13Å |
| 1073 | Q | 66.7 | Low | 70.8 | Confident | 68 Ų | 68 | 91.3 Ų | 91.3 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.3 | -19.1 | 156.7 | -62.7 | 169.2 | 33.9 | 0 | 0 | 112.5 | D1069 K1077 | D1069-Q1073 WeakPolarHBondContact O-CA 3.48Å; D1069-Q1073 WeakPolarHBondContact O-CB 3.1Å; D1069-Q1073 WeakPolarHBondContact O-CG 3.43Å; D1069-Q1073 PolarHBondContact O-N 3.36Å; D1069-Q1073 PolarHBondContact OD2-NE2 3.23Å; Q1073-K1077 WeakPolarHBondContact O-CA 2.94Å; Q1073-K1077 WeakPolarHBondContact O-CB 3.26Å; Q1073-K1077 WeakPolarHBondContact O-CG 2.94Å; Q1073-K1077 PolarHBondContact O-N 2.98Å |
| 1074 | V | 68.7 | Low | 70.8 | Confident | 82 Ų | 82 | 92.2 Ų | 92.2 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -84.6 | -15.8 | 161.8 | 165.5 | 0 | 0 | 0 | 0 | 109.6 | L1070 K1071 K1077 S1078 | L1070-V1074 VanDerWaalsContact C-N 3.29Å; L1070-V1074 VanDerWaalsContact O-CA 3.23Å; L1070-V1074 WeakPolarHBondContact O-CA 3.33Å; L1070-V1074 WeakPolarHBondContact O-CB 3.44Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.46Å; L1070-V1074 PolarHBondContact O-N 3.09Å; K1071-V1074 CarbonylContact O-C 2.93Å; V1074-K1077 CarbonylContact O-C 3.58Å; V1074-K1077 VanDerWaalsContact O-C 3.31Å; V1074-S1078 WeakPolarHBondContact O-CA 3.28Å; V1074-S1078 WeakPolarHBondContact O-CB 3.37Å; V1074-S1078 PolarHBondContact O-N 3.32Å |
| 1075 | S | 76.1 | Confident | 70.8 | Confident | 51 Ų | 51 | 92 Ų | 92 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -84.4 | -36.7 | 170.6 | 87.7 | 0 | 0 | 0 | 0 | 110.3 | K1071 E1072 S1078 I1079 | K1071-S1075 WeakPolarHBondContact O-CA 3.48Å; K1071-S1075 WeakPolarHBondContact O-CB 3.03Å; K1071-S1075 PolarHBondContact O-N 3.28Å; E1072-S1075 WeakPolarHBondContact CA-OG 3.19Å; E1072-S1075 CarbonylContact O-C 3.57Å; E1072-S1075 PolarHBondContact O-N 3.14Å; E1072-S1075 PolarHBondContact O-OG 3.06Å; S1075-S1078 CarbonylContact O-C 3.59Å; S1075-S1078 WeakPolarHBondContact O-CA 2.9Å; S1075-S1078 PolarHBondContact O-N 3.42Å; S1075-S1078 VanDerWaalsContact O-N 3.15Å; S1075-I1079 VanDerWaalsContact O-CB 3.31Å; S1075-I1079 WeakPolarHBondContact O-CB 3.34Å; S1075-I1079 WeakPolarHBondContact O-CG1 3.47Å; S1075-I1079 PolarHBondContact O-N 3.09Å |
| 1076 | E | 74 | Confident | 70.8 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78.2 | -32.6 | 169.6 | -93.9 | -170.5 | 155.9 | 0 | 0 | 109.7 | E1072 S1078 Q1080 | E1072-E1076 WeakPolarHBondContact O-CA 3.21Å; E1072-E1076 VanDerWaalsContact O-CB 3.26Å; E1072-E1076 WeakPolarHBondContact O-CB 2.71Å; E1072-E1076 PolarHBondContact O-N 3.13Å; E1076-S1078 VanDerWaalsContact C-N 3.26Å; E1076-Q1080 VanDerWaalsContact O-CA 3.24Å; E1076-Q1080 WeakPolarHBondContact O-CA 2.75Å; E1076-Q1080 WeakPolarHBondContact O-CB 3.05Å; E1076-Q1080 WeakPolarHBondContact O-CG 3.33Å; E1076-Q1080 PolarHBondContact O-N 2.94Å |
| 1077 | K | 64.2 | Low | 70.8 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -83.5 | 4.5 | 161.9 | -62.6 | -175.2 | -179.3 | -169 | 0 | 112.8 | Q1073 V1074 M1081 | Q1073-K1077 WeakPolarHBondContact O-CA 2.94Å; Q1073-K1077 WeakPolarHBondContact O-CB 3.26Å; Q1073-K1077 WeakPolarHBondContact O-CG 2.94Å; Q1073-K1077 PolarHBondContact O-N 2.98Å; V1074-K1077 CarbonylContact O-C 3.58Å; V1074-K1077 VanDerWaalsContact O-C 3.31Å; K1077-M1081 WeakPolarHBondContact O-CA 3.27Å; K1077-M1081 WeakPolarHBondContact O-CB 3.46Å; K1077-M1081 PolarHBondContact O-N 3.16Å |
| 1078 | S | 72.8 | Confident | 70.2 | Confident | 44 Ų | 44 | 97.4 Ų | 97.4 | 31% | 0.308 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -104.2 | -24.9 | 165.9 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | V1074 S1075 E1076 M1081 D1082 | V1074-S1078 WeakPolarHBondContact O-CA 3.28Å; V1074-S1078 WeakPolarHBondContact O-CB 3.37Å; V1074-S1078 PolarHBondContact O-N 3.32Å; S1075-S1078 CarbonylContact O-C 3.59Å; S1075-S1078 WeakPolarHBondContact O-CA 2.9Å; S1075-S1078 PolarHBondContact O-N 3.42Å; S1075-S1078 VanDerWaalsContact O-N 3.15Å; E1076-S1078 VanDerWaalsContact C-N 3.26Å; S1078-M1081 VanDerWaalsContact C-N 3.29Å; S1078-M1081 CarbonylContact O-C 3.25Å; S1078-M1081 PolarHBondContact O-N 3.42Å; S1078-D1082 WeakPolarHBondContact O-CA 3.48Å; S1078-D1082 WeakPolarHBondContact O-CB 3.23Å; S1078-D1082 PolarHBondContact O-N 2.82Å |
| 1079 | I | 74.4 | Confident | 70 | Confident | 104 Ų | 104 | 94.7 Ų | 94.7 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -83.8 | -40.5 | 167 | -69.8 | 163.4 | 0 | 0 | 0 | 108.2 | S1075 M1081 D1082 E1083 | S1075-I1079 VanDerWaalsContact O-CB 3.31Å; S1075-I1079 WeakPolarHBondContact O-CB 3.34Å; S1075-I1079 WeakPolarHBondContact O-CG1 3.47Å; S1075-I1079 PolarHBondContact O-N 3.09Å; I1079-M1081 VanDerWaalsContact C-N 3.32Å; I1079-D1082 CarbonylContact O-C 3.58Å; I1079-D1082 PolarHBondContact O-N 2.6Å; I1079-E1083 WeakPolarHBondContact O-CA 3.33Å; I1079-E1083 WeakPolarHBondContact O-CB 3.31Å; I1079-E1083 WeakPolarHBondContact O-CG 3.29Å; I1079-E1083 PolarHBondContact O-N 2.93Å |
| 1080 | Q | 69.2 | Low | 70 | Confident | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.2 | -19.6 | 159.1 | -63.5 | 170.8 | -0.6 | 0 | 0 | 110.3 | E1076 M1084 | E1076-Q1080 VanDerWaalsContact O-CA 3.24Å; E1076-Q1080 WeakPolarHBondContact O-CA 2.75Å; E1076-Q1080 WeakPolarHBondContact O-CB 3.05Å; E1076-Q1080 WeakPolarHBondContact O-CG 3.33Å; E1076-Q1080 PolarHBondContact O-N 2.94Å; Q1080-M1084 WeakPolarHBondContact O-CA 3.49Å; Q1080-M1084 WeakPolarHBondContact O-CB 3.48Å; Q1080-M1084 WeakPolarHBondContact O-CG 3.04Å; Q1080-M1084 PolarHBondContact O-N 3.2Å |
| 1081 | M | 65.1 | Low | 70.1 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 48% | 0.478 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.6 | -44 | 166.8 | -142 | 162.7 | 52.7 | 0 | 0 | 106.3 | K1077 S1078 I1079 M1084 Q1085 | K1077-M1081 WeakPolarHBondContact O-CA 3.27Å; K1077-M1081 WeakPolarHBondContact O-CB 3.46Å; K1077-M1081 PolarHBondContact O-N 3.16Å; S1078-M1081 VanDerWaalsContact C-N 3.29Å; S1078-M1081 CarbonylContact O-C 3.25Å; S1078-M1081 PolarHBondContact O-N 3.42Å; I1079-M1081 VanDerWaalsContact C-N 3.32Å; M1081-M1084 CarbonylContact O-C 3.55Å; M1081-M1084 WeakPolarHBondContact O-CA 3.11Å; M1081-M1084 PolarHBondContact O-N 3.08Å; M1081-Q1085 WeakPolarHBondContact O-CA 3.47Å; M1081-Q1085 WeakPolarHBondContact O-CB 3.34Å; M1081-Q1085 PolarHBondContact O-N 3.44Å |
| 1082 | D | 73.2 | Confident | 69.9 | Low | 91 Ų | 91 | 99.8 Ų | 99.8 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.8 | -32 | -179.8 | -91.7 | -4.4 | 0 | 0 | 0 | 112.1 | S1078 I1079 Q1085 Q1086 | S1078-D1082 WeakPolarHBondContact O-CA 3.48Å; S1078-D1082 WeakPolarHBondContact O-CB 3.23Å; S1078-D1082 PolarHBondContact O-N 2.82Å; I1079-D1082 CarbonylContact O-C 3.58Å; I1079-D1082 PolarHBondContact O-N 2.6Å; D1082-Q1085 CarbonylContact O-C 3.57Å; D1082-Q1085 PolarHBondContact O-N 2.85Å; D1082-Q1086 WeakPolarHBondContact O-CA 3.25Å; D1082-Q1086 WeakPolarHBondContact O-CB 3.48Å; D1082-Q1086 VanDerWaalsContact O-CG 3.24Å; D1082-Q1086 WeakPolarHBondContact O-CG 3.33Å; D1082-Q1086 PolarHBondContact O-N 2.98Å |
| 1083 | E | 72.5 | Confident | 69.8 | Low | 112 Ų | 112 | 100.2 Ų | 100.2 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.3 | -33 | 169.8 | -79.4 | -174.7 | 155.2 | 0 | 0 | 109.9 | I1079 Q1087 | I1079-E1083 WeakPolarHBondContact O-CA 3.33Å; I1079-E1083 WeakPolarHBondContact O-CB 3.31Å; I1079-E1083 WeakPolarHBondContact O-CG 3.29Å; I1079-E1083 PolarHBondContact O-N 2.93Å; E1083-Q1087 VanDerWaalsContact O-CA 3.29Å; E1083-Q1087 WeakPolarHBondContact O-CA 3.49Å; E1083-Q1087 WeakPolarHBondContact O-CB 3.4Å; E1083-Q1087 WeakPolarHBondContact O-CG 3.41Å; E1083-Q1087 PolarHBondContact O-N 2.85Å |
| 1084 | M | 62.9 | Low | 70.1 | Confident | 109 Ų | 109 | 101.8 Ų | 101.8 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -79.5 | -0.7 | 163.2 | -61.2 | -105.7 | -93.1 | 0 | 0 | 111.4 | Q1080 M1081 L1088 | Q1080-M1084 WeakPolarHBondContact O-CA 3.49Å; Q1080-M1084 WeakPolarHBondContact O-CB 3.48Å; Q1080-M1084 WeakPolarHBondContact O-CG 3.04Å; Q1080-M1084 PolarHBondContact O-N 3.2Å; M1081-M1084 CarbonylContact O-C 3.55Å; M1081-M1084 WeakPolarHBondContact O-CA 3.11Å; M1081-M1084 PolarHBondContact O-N 3.08Å; M1084-L1088 WeakPolarHBondContact O-CA 3.06Å; M1084-L1088 WeakPolarHBondContact O-CB 3.39Å; M1084-L1088 WeakPolarHBondContact O-CD1 3.26Å; M1084-L1088 WeakPolarHBondContact O-CG 2.89Å; M1084-L1088 PolarHBondContact O-N 3.3Å |
| 1085 | Q | 71.2 | Confident | 69.8 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -108.8 | -21.2 | 176 | -133.7 | 148.2 | -29.1 | 0 | 0 | 107.6 | M1081 D1082 T1089 | M1081-Q1085 WeakPolarHBondContact O-CA 3.47Å; M1081-Q1085 WeakPolarHBondContact O-CB 3.34Å; M1081-Q1085 PolarHBondContact O-N 3.44Å; D1082-Q1085 CarbonylContact O-C 3.57Å; D1082-Q1085 PolarHBondContact O-N 2.85Å; Q1085-T1089 WeakPolarHBondContact O-CA 2.99Å; Q1085-T1089 WeakPolarHBondContact O-CB 3.3Å; Q1085-T1089 WeakPolarHBondContact O-CG2 3.13Å; Q1085-T1089 PolarHBondContact O-N 2.89Å; Q1085-T1089 PolarHBondContact O-OG1 3.1Å |
| 1086 | Q | 73.4 | Confident | 69.7 | Low | 134 Ų | 134 | 102 Ų | 102 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -85.2 | -33.9 | 161.4 | -77 | -180 | 21 | 0 | 0 | 110.6 | D1082 T1089 R1090 | D1082-Q1086 WeakPolarHBondContact O-CA 3.25Å; D1082-Q1086 WeakPolarHBondContact O-CB 3.48Å; D1082-Q1086 VanDerWaalsContact O-CG 3.24Å; D1082-Q1086 WeakPolarHBondContact O-CG 3.33Å; D1082-Q1086 PolarHBondContact O-N 2.98Å; Q1086-T1089 VanDerWaalsContact CA-OG1 3.23Å; Q1086-T1089 WeakPolarHBondContact CA-OG1 2.94Å; Q1086-T1089 PolarHBondContact O-OG1 3.32Å; Q1086-R1090 WeakPolarHBondContact O-CA 3.12Å; Q1086-R1090 WeakPolarHBondContact O-CB 3.07Å; Q1086-R1090 VanDerWaalsContact O-CG 3.27Å; Q1086-R1090 WeakPolarHBondContact O-CG 3.47Å; Q1086-R1090 PolarHBondContact O-N 3.11Å |
| 1087 | Q | 67.7 | Low | 69.6 | Low | 115 Ų | 115 | 102.1 Ų | 102.1 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -82.3 | -24 | 165.7 | -70.2 | -178.6 | 14.9 | 0 | 0 | 111 | E1083 R1090 R1091 | E1083-Q1087 VanDerWaalsContact O-CA 3.29Å; E1083-Q1087 WeakPolarHBondContact O-CA 3.49Å; E1083-Q1087 WeakPolarHBondContact O-CB 3.4Å; E1083-Q1087 WeakPolarHBondContact O-CG 3.41Å; E1083-Q1087 PolarHBondContact O-N 2.85Å; Q1087-R1090 CarbonylContact O-C 3.5Å; Q1087-R1091 WeakPolarHBondContact O-CA 3.44Å; Q1087-R1091 WeakPolarHBondContact O-CB 3.2Å; Q1087-R1091 WeakPolarHBondContact O-CG 3.18Å; Q1087-R1091 PolarHBondContact O-N 2.94Å |
| 1088 | L | 59.6 | Low | 69.8 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -81.9 | -26.4 | 163 | -83.5 | 152.3 | 0 | 0 | 0 | 109.3 | M1084 R1091 D1092 M1095 | M1084-L1088 WeakPolarHBondContact O-CA 3.06Å; M1084-L1088 WeakPolarHBondContact O-CB 3.39Å; M1084-L1088 WeakPolarHBondContact O-CD1 3.26Å; M1084-L1088 WeakPolarHBondContact O-CG 2.89Å; M1084-L1088 PolarHBondContact O-N 3.3Å; L1088-R1091 CarbonylContact O-C 3.57Å; L1088-R1091 PolarHBondContact O-N 3.37Å; L1088-D1092 WeakPolarHBondContact O-CA 3.29Å; L1088-D1092 WeakPolarHBondContact O-CB 3.31Å; L1088-D1092 PolarHBondContact O-N 3.3Å; L1088-D1092 VanDerWaalsContact O-OD2 3.06Å; L1088-M1095 HydrophobicContact CD2-CE 4.4Å |
| 1089 | T | 71.4 | Confident | 69.6 | Low | 70 Ų | 70 | 100.6 Ų | 100.6 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.5 | -33.3 | 168.7 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | Q1085 Q1086 D1092 E1093 | Q1085-T1089 WeakPolarHBondContact O-CA 2.99Å; Q1085-T1089 WeakPolarHBondContact O-CB 3.3Å; Q1085-T1089 WeakPolarHBondContact O-CG2 3.13Å; Q1085-T1089 PolarHBondContact O-N 2.89Å; Q1085-T1089 PolarHBondContact O-OG1 3.1Å; Q1086-T1089 VanDerWaalsContact CA-OG1 3.23Å; Q1086-T1089 WeakPolarHBondContact CA-OG1 2.94Å; Q1086-T1089 PolarHBondContact O-OG1 3.32Å; T1089-D1092 CarbonylContact O-C 3.58Å; T1089-E1093 WeakPolarHBondContact O-CA 3.3Å; T1089-E1093 WeakPolarHBondContact O-CB 3.42Å; T1089-E1093 WeakPolarHBondContact O-CG 3.44Å; T1089-E1093 PolarHBondContact O-N 3.15Å |
| 1090 | R | 73.8 | Confident | 69.5 | Low | 170 Ų | 170 | 98.1 Ų | 98.1 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.9 | -32.4 | 168.1 | -80.7 | 179.8 | 176.7 | 161.9 | 1.9 | 112.3 | Q1086 Q1087 E1093 E1094 | Q1086-R1090 WeakPolarHBondContact O-CA 3.12Å; Q1086-R1090 WeakPolarHBondContact O-CB 3.07Å; Q1086-R1090 VanDerWaalsContact O-CG 3.27Å; Q1086-R1090 WeakPolarHBondContact O-CG 3.47Å; Q1086-R1090 PolarHBondContact O-N 3.11Å; Q1087-R1090 CarbonylContact O-C 3.5Å; R1090-E1093 CarbonylContact O-C 3.41Å; R1090-E1094 WeakPolarHBondContact O-CA 3.24Å; R1090-E1094 WeakPolarHBondContact O-CB 3.22Å; R1090-E1094 WeakPolarHBondContact O-CG 3.33Å; R1090-E1094 PolarHBondContact O-N 3.13Å |
| 1091 | R | 66.9 | Low | 69.8 | Low | 156 Ų | 156 | 101.1 Ų | 101.1 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -83.8 | -16.6 | 173.7 | -75.1 | -78.8 | 168.5 | 95.7 | 2.8 | 111.6 | Q1087 L1088 E1094 M1095 | Q1087-R1091 WeakPolarHBondContact O-CA 3.44Å; Q1087-R1091 WeakPolarHBondContact O-CB 3.2Å; Q1087-R1091 WeakPolarHBondContact O-CG 3.18Å; Q1087-R1091 PolarHBondContact O-N 2.94Å; L1088-R1091 CarbonylContact O-C 3.57Å; L1088-R1091 PolarHBondContact O-N 3.37Å; R1091-E1094 VanDerWaalsContact CD-OE2 3.29Å; R1091-E1094 WeakPolarHBondContact CD-OE2 3.24Å; R1091-E1094 IonicContact CZ-OE2 3.11Å; R1091-E1094 IonicContact NE-OE2 2.85Å; R1091-E1094 PolarHBondContact NE-OE2 2.98Å; R1091-E1094 CarbonylContact O-C 3.56Å; R1091-M1095 WeakPolarHBondContact O-CA 3.41Å; R1091-M1095 WeakPolarHBondContact O-CB 3.4Å; R1091-M1095 PolarHBondContact O-N 2.97Å |
| 1092 | D | 68.9 | Low | 69.9 | Low | 79 Ų | 79 | 99.5 Ų | 99.5 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -93.6 | -17.2 | 169.8 | -68.6 | -24.5 | 0 | 0 | 0 | 107.8 | L1088 T1089 M1095 A1096 | L1088-D1092 WeakPolarHBondContact O-CA 3.29Å; L1088-D1092 WeakPolarHBondContact O-CB 3.31Å; L1088-D1092 PolarHBondContact O-N 3.3Å; L1088-D1092 VanDerWaalsContact O-OD2 3.06Å; T1089-D1092 CarbonylContact O-C 3.58Å; D1092-M1095 VanDerWaalsContact OD1-CE 3.28Å; D1092-M1095 WeakPolarHBondContact OD1-CE 3.46Å; D1092-A1096 VanDerWaalsContact C-N 3.33Å; D1092-A1096 WeakPolarHBondContact O-CA 3.42Å; D1092-A1096 WeakPolarHBondContact O-CB 3.42Å; D1092-A1096 PolarHBondContact O-N 3Å |
| 1093 | E | 74 | Confident | 69.9 | Low | 124 Ų | 124 | 99.7 Ų | 99.7 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -85.6 | -35.9 | 164.1 | -80.9 | 171.1 | 176.8 | 0 | 0 | 109.8 | T1089 R1090 A1096 Q1097 | T1089-E1093 WeakPolarHBondContact O-CA 3.3Å; T1089-E1093 WeakPolarHBondContact O-CB 3.42Å; T1089-E1093 WeakPolarHBondContact O-CG 3.44Å; T1089-E1093 PolarHBondContact O-N 3.15Å; R1090-E1093 CarbonylContact O-C 3.41Å; E1093-A1096 CarbonylContact O-C 3.52Å; E1093-Q1097 WeakPolarHBondContact O-CA 3.46Å; E1093-Q1097 WeakPolarHBondContact O-CB 3.46Å; E1093-Q1097 WeakPolarHBondContact O-CG 3.34Å; E1093-Q1097 PolarHBondContact O-N 3.29Å |
| 1094 | E | 71.1 | Confident | 69.9 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -79.1 | -26.6 | 170.6 | -75.6 | 175.2 | 177.2 | 0 | 0 | 110.7 | R1090 R1091 Q1097 A1098 | R1090-E1094 WeakPolarHBondContact O-CA 3.24Å; R1090-E1094 WeakPolarHBondContact O-CB 3.22Å; R1090-E1094 WeakPolarHBondContact O-CG 3.33Å; R1090-E1094 PolarHBondContact O-N 3.13Å; R1091-E1094 VanDerWaalsContact CD-OE2 3.29Å; R1091-E1094 WeakPolarHBondContact CD-OE2 3.24Å; R1091-E1094 IonicContact CZ-OE2 3.11Å; R1091-E1094 IonicContact NE-OE2 2.85Å; R1091-E1094 PolarHBondContact NE-OE2 2.98Å; R1091-E1094 CarbonylContact O-C 3.56Å; E1094-Q1097 CarbonylContact O-C 3.58Å; E1094-A1098 VanDerWaalsContact O-CA 3.25Å; E1094-A1098 WeakPolarHBondContact O-CA 3.08Å; E1094-A1098 WeakPolarHBondContact O-CB 3.5Å; E1094-A1098 PolarHBondContact O-N 2.94Å |
| 1095 | M | 63.6 | Low | 70.2 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 41% | 0.409 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -94.6 | -14.9 | 170.5 | -170.4 | -175.8 | 7.7 | 0 | 0 | 110.2 | L1088 R1091 D1092 L1099 | L1088-M1095 HydrophobicContact CD2-CE 4.4Å; R1091-M1095 WeakPolarHBondContact O-CA 3.41Å; R1091-M1095 WeakPolarHBondContact O-CB 3.4Å; R1091-M1095 PolarHBondContact O-N 2.97Å; D1092-M1095 VanDerWaalsContact OD1-CE 3.28Å; D1092-M1095 WeakPolarHBondContact OD1-CE 3.46Å; M1095-L1099 HydrophobicContact CG-CD1 3.82Å; M1095-L1099 HydrophobicContact CG-CG 3.96Å; M1095-L1099 WeakPolarHBondContact O-CA 3.26Å; M1095-L1099 WeakPolarHBondContact O-CB 3.38Å; M1095-L1099 VanDerWaalsContact O-CD1 3.25Å; M1095-L1099 WeakPolarHBondContact O-CD1 3.31Å; M1095-L1099 WeakPolarHBondContact O-CG 3.42Å; M1095-L1099 PolarHBondContact O-N 3.03Å; M1095-L1099 HydrophobicContact SD-CD1 4.49Å |
| 1096 | A | 72.8 | Confident | 70.1 | Confident | 54 Ų | 54 | 100 Ų | 100 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -83.9 | -24.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1092 E1093 S1100 | D1092-A1096 VanDerWaalsContact C-N 3.33Å; D1092-A1096 WeakPolarHBondContact O-CA 3.42Å; D1092-A1096 WeakPolarHBondContact O-CB 3.42Å; D1092-A1096 PolarHBondContact O-N 3Å; E1093-A1096 CarbonylContact O-C 3.52Å; A1096-S1100 VanDerWaalsContact O-CA 3.26Å; A1096-S1100 WeakPolarHBondContact O-CA 3.48Å; A1096-S1100 WeakPolarHBondContact O-CB 3.46Å; A1096-S1100 PolarHBondContact O-N 3.3Å |
| 1097 | Q | 72.9 | Confident | 70.1 | Confident | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -79.6 | -30.5 | 165.1 | -83.4 | -178.5 | 6.5 | 0 | 0 | 111 | E1093 E1094 S1100 R1101 | E1093-Q1097 WeakPolarHBondContact O-CA 3.46Å; E1093-Q1097 WeakPolarHBondContact O-CB 3.46Å; E1093-Q1097 WeakPolarHBondContact O-CG 3.34Å; E1093-Q1097 PolarHBondContact O-N 3.29Å; E1094-Q1097 CarbonylContact O-C 3.58Å; Q1097-S1100 CarbonylContact O-C 3.59Å; Q1097-R1101 WeakPolarHBondContact O-CA 3.4Å; Q1097-R1101 WeakPolarHBondContact O-CB 3.47Å; Q1097-R1101 WeakPolarHBondContact O-CG 3.37Å; Q1097-R1101 PolarHBondContact O-N 3.37Å |
| 1098 | A | 67.5 | Low | 70.3 | Confident | 44 Ų | 44 | 92.9 Ų | 92.9 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -87.2 | -25.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1094 R1101 V1102 | E1094-A1098 VanDerWaalsContact O-CA 3.25Å; E1094-A1098 WeakPolarHBondContact O-CA 3.08Å; E1094-A1098 WeakPolarHBondContact O-CB 3.5Å; E1094-A1098 PolarHBondContact O-N 2.94Å; A1098-R1101 CarbonylContact O-C 3.59Å; A1098-V1102 VanDerWaalsContact O-CA 3.31Å; A1098-V1102 WeakPolarHBondContact O-CA 3.46Å; A1098-V1102 WeakPolarHBondContact O-CB 3.49Å; A1098-V1102 WeakPolarHBondContact O-CG2 3.45Å; A1098-V1102 PolarHBondContact O-N 3.21Å |
| 1099 | L | 69 | Low | 70.9 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -79.5 | -31.7 | 162.7 | -73.9 | 159.8 | 0 | 0 | 0 | 109.5 | M1095 R1101 V1102 D1103 | M1095-L1099 HydrophobicContact CG-CD1 3.82Å; M1095-L1099 HydrophobicContact CG-CG 3.96Å; M1095-L1099 WeakPolarHBondContact O-CA 3.26Å; M1095-L1099 WeakPolarHBondContact O-CB 3.38Å; M1095-L1099 VanDerWaalsContact O-CD1 3.25Å; M1095-L1099 WeakPolarHBondContact O-CD1 3.31Å; M1095-L1099 WeakPolarHBondContact O-CG 3.42Å; M1095-L1099 PolarHBondContact O-N 3.03Å; M1095-L1099 HydrophobicContact SD-CD1 4.49Å; L1099-R1101 VanDerWaalsContact C-N 3.31Å; L1099-V1102 CarbonylContact O-C 3.54Å; L1099-V1102 PolarHBondContact O-N 2.99Å; L1099-D1103 VanDerWaalsContact O-CA 3.25Å; L1099-D1103 WeakPolarHBondContact O-CA 3.47Å; L1099-D1103 WeakPolarHBondContact O-CB 3.39Å; L1099-D1103 PolarHBondContact O-N 2.97Å |
| 1100 | S | 73.4 | Confident | 71 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70 | -31.5 | 166.8 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | A1096 Q1097 E1104 | A1096-S1100 VanDerWaalsContact O-CA 3.26Å; A1096-S1100 WeakPolarHBondContact O-CA 3.48Å; A1096-S1100 WeakPolarHBondContact O-CB 3.46Å; A1096-S1100 PolarHBondContact O-N 3.3Å; Q1097-S1100 CarbonylContact O-C 3.59Å; S1100-E1104 WeakPolarHBondContact O-CA 3.42Å; S1100-E1104 WeakPolarHBondContact O-CB 3.49Å; S1100-E1104 WeakPolarHBondContact O-CG 3.46Å; S1100-E1104 PolarHBondContact O-N 3.22Å |
| 1101 | R | 74.2 | Confident | 70.9 | Confident | 163 Ų | 163 | 91.6 Ų | 91.6 | 62% | 0.615 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -81.5 | -25.7 | 171.6 | -79.9 | 175.5 | -177.5 | 165.7 | 4.1 | 112.2 | Q1097 A1098 L1099 E1104 E1105 | Q1097-R1101 WeakPolarHBondContact O-CA 3.4Å; Q1097-R1101 WeakPolarHBondContact O-CB 3.47Å; Q1097-R1101 WeakPolarHBondContact O-CG 3.37Å; Q1097-R1101 PolarHBondContact O-N 3.37Å; A1098-R1101 CarbonylContact O-C 3.59Å; L1099-R1101 VanDerWaalsContact C-N 3.31Å; R1101-E1104 CarbonylContact O-C 3.58Å; R1101-E1105 VanDerWaalsContact O-CA 3.25Å; R1101-E1105 WeakPolarHBondContact O-CA 3.01Å; R1101-E1105 WeakPolarHBondContact O-CB 3.35Å; R1101-E1105 WeakPolarHBondContact O-CG 3.38Å; R1101-E1105 PolarHBondContact O-N 3.47Å |
| 1102 | V | 67.8 | Low | 71.1 | Confident | 63 Ų | 63 | 89.2 Ų | 89.2 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -84.9 | -20.5 | 172 | 166 | 0 | 0 | 0 | 0 | 109.4 | A1098 L1099 E1105 T1106 | A1098-V1102 VanDerWaalsContact O-CA 3.31Å; A1098-V1102 WeakPolarHBondContact O-CA 3.46Å; A1098-V1102 WeakPolarHBondContact O-CB 3.49Å; A1098-V1102 WeakPolarHBondContact O-CG2 3.45Å; A1098-V1102 PolarHBondContact O-N 3.21Å; L1099-V1102 CarbonylContact O-C 3.54Å; L1099-V1102 PolarHBondContact O-N 2.99Å; V1102-E1105 CarbonylContact O-C 3.43Å; V1102-T1106 HydrophobicContact CG1-CG2 3.92Å; V1102-T1106 WeakPolarHBondContact O-CA 3.44Å; V1102-T1106 WeakPolarHBondContact O-CB 3.49Å; V1102-T1106 WeakPolarHBondContact O-CG2 3.29Å; V1102-T1106 PolarHBondContact O-N 3.06Å; V1102-T1106 PolarHBondContact O-OG1 3.28Å |
| 1103 | D | 72.6 | Confident | 71.1 | Confident | 95 Ų | 95 | 88.8 Ų | 88.8 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -87.4 | -34.6 | 170.1 | -70.8 | -19.3 | 0 | 0 | 0 | 108.7 | L1099 T1106 A1107 | L1099-D1103 VanDerWaalsContact O-CA 3.25Å; L1099-D1103 WeakPolarHBondContact O-CA 3.47Å; L1099-D1103 WeakPolarHBondContact O-CB 3.39Å; L1099-D1103 PolarHBondContact O-N 2.97Å; D1103-T1106 VanDerWaalsContact CA-OG1 3.31Å; D1103-T1106 WeakPolarHBondContact CA-OG1 3.34Å; D1103-A1107 VanDerWaalsContact O-CA 3.29Å; D1103-A1107 WeakPolarHBondContact O-CA 3.32Å; D1103-A1107 WeakPolarHBondContact O-CB 3.48Å; D1103-A1107 PolarHBondContact O-N 3.45Å |
| 1104 | E | 74.1 | Confident | 71.1 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 59% | 0.593 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.9 | -33.8 | 164.7 | -78.3 | 175 | 174.2 | 0 | 0 | 110.8 | S1100 R1101 S1108 | S1100-E1104 WeakPolarHBondContact O-CA 3.42Å; S1100-E1104 WeakPolarHBondContact O-CB 3.49Å; S1100-E1104 WeakPolarHBondContact O-CG 3.46Å; S1100-E1104 PolarHBondContact O-N 3.22Å; R1101-E1104 CarbonylContact O-C 3.58Å; E1104-S1108 WeakPolarHBondContact O-CA 3.5Å; E1104-S1108 WeakPolarHBondContact O-CB 3.44Å; E1104-S1108 PolarHBondContact O-N 3.06Å |
| 1105 | E | 68 | Low | 71.2 | Confident | 131 Ų | 131 | 87.9 Ų | 87.9 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -81.7 | -26.6 | 173.4 | -83.6 | -175.7 | 165.6 | 0 | 0 | 110.8 | R1101 V1102 S1108 K1109 | R1101-E1105 VanDerWaalsContact O-CA 3.25Å; R1101-E1105 WeakPolarHBondContact O-CA 3.01Å; R1101-E1105 WeakPolarHBondContact O-CB 3.35Å; R1101-E1105 WeakPolarHBondContact O-CG 3.38Å; R1101-E1105 PolarHBondContact O-N 3.47Å; V1102-E1105 CarbonylContact O-C 3.43Å; E1105-S1108 CarbonylContact O-C 3.55Å; E1105-K1109 VanDerWaalsContact O-CA 3.26Å; E1105-K1109 WeakPolarHBondContact O-CA 3.12Å; E1105-K1109 WeakPolarHBondContact O-CB 3.36Å; E1105-K1109 PolarHBondContact O-N 3.42Å |
| 1106 | T | 69.3 | Low | 71.4 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 36% | 0.356 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -86.4 | -28.2 | 173.2 | 58.5 | 0 | 0 | 0 | 0 | 110.5 | V1102 D1103 K1109 L1110 | V1102-T1106 HydrophobicContact CG1-CG2 3.92Å; V1102-T1106 WeakPolarHBondContact O-CA 3.44Å; V1102-T1106 WeakPolarHBondContact O-CB 3.49Å; V1102-T1106 WeakPolarHBondContact O-CG2 3.29Å; V1102-T1106 PolarHBondContact O-N 3.06Å; V1102-T1106 PolarHBondContact O-OG1 3.28Å; D1103-T1106 VanDerWaalsContact CA-OG1 3.31Å; D1103-T1106 WeakPolarHBondContact CA-OG1 3.34Å; T1106-K1109 CarbonylContact O-C 3.57Å; T1106-L1110 WeakPolarHBondContact O-CA 3.23Å; T1106-L1110 WeakPolarHBondContact O-CB 3.38Å; T1106-L1110 WeakPolarHBondContact O-CD1 3.4Å; T1106-L1110 VanDerWaalsContact O-CG 3.31Å; T1106-L1110 WeakPolarHBondContact O-CG 3.34Å; T1106-L1110 PolarHBondContact O-N 2.92Å |
| 1107 | A | 73.7 | Confident | 71.4 | Confident | 46 Ų | 46 | 93.4 Ų | 93.4 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.8 | -36.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1103 K1109 L1110 T1111 | D1103-A1107 VanDerWaalsContact O-CA 3.29Å; D1103-A1107 WeakPolarHBondContact O-CA 3.32Å; D1103-A1107 WeakPolarHBondContact O-CB 3.48Å; D1103-A1107 PolarHBondContact O-N 3.45Å; A1107-K1109 VanDerWaalsContact C-N 3.34Å; A1107-L1110 CarbonylContact O-C 3.57Å; A1107-L1110 PolarHBondContact O-N 3.48Å; A1107-T1111 WeakPolarHBondContact O-CA 3.44Å; A1107-T1111 VanDerWaalsContact O-CB 3.31Å; A1107-T1111 WeakPolarHBondContact O-CB 3.37Å; A1107-T1111 PolarHBondContact O-N 3.25Å; A1107-T1111 PolarHBondContact O-OG1 2.98Å |
| 1108 | S | 72.4 | Confident | 71.4 | Confident | 53 Ų | 53 | 93.1 Ų | 93.1 | 37% | 0.371 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.7 | -29.1 | 170 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | E1104 E1105 T1111 M1112 | E1104-S1108 WeakPolarHBondContact O-CA 3.5Å; E1104-S1108 WeakPolarHBondContact O-CB 3.44Å; E1104-S1108 PolarHBondContact O-N 3.06Å; E1105-S1108 CarbonylContact O-C 3.55Å; S1108-T1111 VanDerWaalsContact CA-OG1 3.25Å; S1108-T1111 WeakPolarHBondContact CA-OG1 3.33Å; S1108-T1111 PolarHBondContact O-OG1 2.97Å; S1108-M1112 WeakPolarHBondContact O-CA 3.32Å; S1108-M1112 WeakPolarHBondContact O-CB 3.42Å; S1108-M1112 WeakPolarHBondContact O-CG 3.38Å; S1108-M1112 PolarHBondContact O-N 3.2Å |
| 1109 | K | 71.1 | Confident | 71.5 | Confident | 131 Ų | 131 | 95.3 Ų | 95.3 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -87.4 | -15 | 172.2 | -172.1 | -175.2 | -174.6 | 178.9 | 0 | 111.6 | E1105 T1106 A1107 N1113 | E1105-K1109 VanDerWaalsContact O-CA 3.26Å; E1105-K1109 WeakPolarHBondContact O-CA 3.12Å; E1105-K1109 WeakPolarHBondContact O-CB 3.36Å; E1105-K1109 PolarHBondContact O-N 3.42Å; T1106-K1109 CarbonylContact O-C 3.57Å; A1107-K1109 VanDerWaalsContact C-N 3.34Å; K1109-N1113 VanDerWaalsContact O-CA 3.27Å; K1109-N1113 WeakPolarHBondContact O-CA 3.49Å; K1109-N1113 WeakPolarHBondContact O-CB 3.28Å; K1109-N1113 PolarHBondContact O-N 3.39Å; K1109-N1113 PolarHBondContact O-ND2 3.24Å |
| 1110 | L | 73 | Confident | 71.4 | Confident | 104 Ų | 104 | 96.3 Ų | 96.3 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -87.7 | -36 | 168.5 | -93.2 | 157 | 0 | 0 | 0 | 109.9 | T1106 A1107 N1113 K1114 | T1106-L1110 WeakPolarHBondContact O-CA 3.23Å; T1106-L1110 WeakPolarHBondContact O-CB 3.38Å; T1106-L1110 WeakPolarHBondContact O-CD1 3.4Å; T1106-L1110 VanDerWaalsContact O-CG 3.31Å; T1106-L1110 WeakPolarHBondContact O-CG 3.34Å; T1106-L1110 PolarHBondContact O-N 2.92Å; A1107-L1110 CarbonylContact O-C 3.57Å; A1107-L1110 PolarHBondContact O-N 3.48Å; L1110-N1113 CarbonylContact O-C 3.49Å; L1110-N1113 PolarHBondContact O-N 2.91Å; L1110-K1114 WeakPolarHBondContact O-CA 3.43Å; L1110-K1114 VanDerWaalsContact O-CB 3.22Å; L1110-K1114 WeakPolarHBondContact O-CB 3.46Å; L1110-K1114 PolarHBondContact O-N 3.03Å |
| 1111 | T | 72.4 | Confident | 71.4 | Confident | 54 Ų | 54 | 97.2 Ų | 97.2 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.7 | -31.6 | 167.8 | 44.8 | 0 | 0 | 0 | 0 | 111.2 | A1107 S1108 K1114 Q1115 | A1107-T1111 WeakPolarHBondContact O-CA 3.44Å; A1107-T1111 VanDerWaalsContact O-CB 3.31Å; A1107-T1111 WeakPolarHBondContact O-CB 3.37Å; A1107-T1111 PolarHBondContact O-N 3.25Å; A1107-T1111 PolarHBondContact O-OG1 2.98Å; S1108-T1111 VanDerWaalsContact CA-OG1 3.25Å; S1108-T1111 WeakPolarHBondContact CA-OG1 3.33Å; S1108-T1111 PolarHBondContact O-OG1 2.97Å; T1111-K1114 CarbonylContact O-C 3.55Å; T1111-K1114 PolarHBondContact O-N 3.29Å; T1111-Q1115 WeakPolarHBondContact O-CA 3.28Å; T1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; T1111-Q1115 WeakPolarHBondContact O-CG 3.39Å; T1111-Q1115 PolarHBondContact O-N 3.27Å |
| 1112 | M | 70.7 | Confident | 71.3 | Confident | 105 Ų | 105 | 94.6 Ų | 94.6 | 52% | 0.517 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -77.4 | -26.4 | 164.9 | -76.2 | -157.2 | 175.8 | 0 | 0 | 110.8 | S1108 Q1115 I1116 | S1108-M1112 WeakPolarHBondContact O-CA 3.32Å; S1108-M1112 WeakPolarHBondContact O-CB 3.42Å; S1108-M1112 WeakPolarHBondContact O-CG 3.38Å; S1108-M1112 PolarHBondContact O-N 3.2Å; M1112-Q1115 CarbonylContact O-C 3.59Å; M1112-I1116 HydrophobicContact CB-CD1 4.41Å; M1112-I1116 VanDerWaalsContact O-CA 3.23Å; M1112-I1116 WeakPolarHBondContact O-CA 3.29Å; M1112-I1116 WeakPolarHBondContact O-CB 3.44Å; M1112-I1116 WeakPolarHBondContact O-CD1 2.86Å; M1112-I1116 WeakPolarHBondContact O-CG1 3.32Å; M1112-I1116 PolarHBondContact O-N 3.28Å |
| 1113 | N | 69.9 | Low | 71.1 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.1 | -24.5 | 167.9 | -85 | -40.6 | 0 | 0 | 0 | 111.1 | K1109 L1110 R1117 | K1109-N1113 VanDerWaalsContact O-CA 3.27Å; K1109-N1113 WeakPolarHBondContact O-CA 3.49Å; K1109-N1113 WeakPolarHBondContact O-CB 3.28Å; K1109-N1113 PolarHBondContact O-N 3.39Å; K1109-N1113 PolarHBondContact O-ND2 3.24Å; L1110-N1113 CarbonylContact O-C 3.49Å; L1110-N1113 PolarHBondContact O-N 2.91Å; N1113-R1117 WeakPolarHBondContact O-CA 3.22Å; N1113-R1117 WeakPolarHBondContact O-CB 3.42Å; N1113-R1117 WeakPolarHBondContact O-CG 3.25Å; N1113-R1117 PolarHBondContact O-N 3.01Å |
| 1114 | K | 73.8 | Confident | 71 | Confident | 116 Ų | 116 | 94 Ų | 94 | 50% | 0.504 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.5 | -40.9 | 169.9 | -117.7 | -177 | 172.1 | -175.1 | 0 | 110.6 | L1110 T1111 I1116 R1117 E1118 | L1110-K1114 WeakPolarHBondContact O-CA 3.43Å; L1110-K1114 VanDerWaalsContact O-CB 3.22Å; L1110-K1114 WeakPolarHBondContact O-CB 3.46Å; L1110-K1114 PolarHBondContact O-N 3.03Å; T1111-K1114 CarbonylContact O-C 3.55Å; T1111-K1114 PolarHBondContact O-N 3.29Å; K1114-I1116 VanDerWaalsContact C-N 3.34Å; K1114-R1117 CarbonylContact O-C 3.58Å; K1114-R1117 PolarHBondContact O-N 2.83Å; K1114-E1118 WeakPolarHBondContact O-CA 3.38Å; K1114-E1118 VanDerWaalsContact O-CB 3.22Å; K1114-E1118 WeakPolarHBondContact O-CB 3.44Å; K1114-E1118 WeakPolarHBondContact O-CG 3.38Å; K1114-E1118 PolarHBondContact O-N 3.06Å |
| 1115 | Q | 72.2 | Confident | 70.9 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.3 | -29.1 | 170.5 | -76.6 | 176.9 | -31.2 | 0 | 0 | 110.1 | T1111 M1112 E1118 L1119 | T1111-Q1115 WeakPolarHBondContact O-CA 3.28Å; T1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; T1111-Q1115 WeakPolarHBondContact O-CG 3.39Å; T1111-Q1115 PolarHBondContact O-N 3.27Å; M1112-Q1115 CarbonylContact O-C 3.59Å; Q1115-E1118 CarbonylContact O-C 3.57Å; Q1115-L1119 HydrophobicContact CB-CD1 4.49Å; Q1115-L1119 WeakPolarHBondContact O-CA 3.29Å; Q1115-L1119 WeakPolarHBondContact O-CB 3.29Å; Q1115-L1119 VanDerWaalsContact O-CD1 3.32Å; Q1115-L1119 WeakPolarHBondContact O-CD1 3.29Å; Q1115-L1119 WeakPolarHBondContact O-CG 3.5Å; Q1115-L1119 PolarHBondContact O-N 3.29Å |
| 1116 | I | 69.7 | Low | 70.8 | Confident | 71 Ų | 71 | 90.9 Ų | 90.9 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.4 | -32 | 170.2 | -73.7 | 159.1 | 0 | 0 | 0 | 107.6 | M1112 K1114 L1119 E1120 | M1112-I1116 HydrophobicContact CB-CD1 4.41Å; M1112-I1116 VanDerWaalsContact O-CA 3.23Å; M1112-I1116 WeakPolarHBondContact O-CA 3.29Å; M1112-I1116 WeakPolarHBondContact O-CB 3.44Å; M1112-I1116 WeakPolarHBondContact O-CD1 2.86Å; M1112-I1116 WeakPolarHBondContact O-CG1 3.32Å; M1112-I1116 PolarHBondContact O-N 3.28Å; K1114-I1116 VanDerWaalsContact C-N 3.34Å; I1116-L1119 CarbonylContact O-C 3.2Å; I1116-E1120 HydrophobicContact CG2-CG 3.8Å; I1116-E1120 WeakPolarHBondContact O-CA 3.35Å; I1116-E1120 WeakPolarHBondContact O-CB 3.22Å; I1116-E1120 WeakPolarHBondContact O-CG 3.42Å; I1116-E1120 PolarHBondContact O-N 3.16Å |
| 1117 | R | 72.3 | Confident | 70.8 | Confident | 182 Ų | 182 | 90 Ų | 90 | 69% | 0.687 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -75 | -33.1 | 171.1 | -82.3 | 178.6 | -176.2 | 172.9 | 3.9 | 113.1 | N1113 K1114 S1121 | N1113-R1117 WeakPolarHBondContact O-CA 3.22Å; N1113-R1117 WeakPolarHBondContact O-CB 3.42Å; N1113-R1117 WeakPolarHBondContact O-CG 3.25Å; N1113-R1117 PolarHBondContact O-N 3.01Å; K1114-R1117 CarbonylContact O-C 3.58Å; K1114-R1117 PolarHBondContact O-N 2.83Å; R1117-S1121 WeakPolarHBondContact O-CA 3.27Å; R1117-S1121 WeakPolarHBondContact O-CB 3.27Å; R1117-S1121 PolarHBondContact O-N 2.66Å |
| 1118 | E | 72.9 | Confident | 70.7 | Confident | 113 Ų | 113 | 94.7 Ų | 94.7 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -77.9 | -33 | 172.7 | -82.2 | 175 | 171.1 | 0 | 0 | 110.3 | K1114 Q1115 Q1122 | K1114-E1118 WeakPolarHBondContact O-CA 3.38Å; K1114-E1118 VanDerWaalsContact O-CB 3.22Å; K1114-E1118 WeakPolarHBondContact O-CB 3.44Å; K1114-E1118 WeakPolarHBondContact O-CG 3.38Å; K1114-E1118 PolarHBondContact O-N 3.06Å; Q1115-E1118 CarbonylContact O-C 3.57Å; E1118-Q1122 WeakPolarHBondContact O-CA 3.12Å; E1118-Q1122 WeakPolarHBondContact O-CB 3.37Å; E1118-Q1122 WeakPolarHBondContact O-CG 3.28Å; E1118-Q1122 PolarHBondContact O-N 2.67Å |
| 1119 | L | 68.5 | Low | 70.6 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82.7 | -15.5 | 169.6 | -68.4 | 166 | 0 | 0 | 0 | 111.1 | Q1115 I1116 L1123 | Q1115-L1119 HydrophobicContact CB-CD1 4.49Å; Q1115-L1119 WeakPolarHBondContact O-CA 3.29Å; Q1115-L1119 WeakPolarHBondContact O-CB 3.29Å; Q1115-L1119 VanDerWaalsContact O-CD1 3.32Å; Q1115-L1119 WeakPolarHBondContact O-CD1 3.29Å; Q1115-L1119 WeakPolarHBondContact O-CG 3.5Å; Q1115-L1119 PolarHBondContact O-N 3.29Å; I1116-L1119 CarbonylContact O-C 3.2Å; L1119-L1123 VanDerWaalsContact C-N 3.34Å; L1119-L1123 WeakPolarHBondContact O-CA 3.24Å; L1119-L1123 WeakPolarHBondContact O-CB 3.4Å; L1119-L1123 VanDerWaalsContact O-CD1 3.27Å; L1119-L1123 WeakPolarHBondContact O-CD1 3.49Å; L1119-L1123 WeakPolarHBondContact O-CG 3.29Å; L1119-L1123 PolarHBondContact O-N 3.48Å |
| 1120 | E | 67.9 | Low | 70.3 | Confident | 106 Ų | 106 | 93.8 Ų | 93.8 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -88.7 | -29.6 | 169.5 | -83.8 | 171.1 | 164.8 | 0 | 0 | 108.7 | I1116 L1123 A1124 | I1116-E1120 HydrophobicContact CG2-CG 3.8Å; I1116-E1120 WeakPolarHBondContact O-CA 3.35Å; I1116-E1120 WeakPolarHBondContact O-CB 3.22Å; I1116-E1120 WeakPolarHBondContact O-CG 3.42Å; I1116-E1120 PolarHBondContact O-N 3.16Å; E1120-L1123 CarbonylContact O-C 2.97Å; E1120-A1124 WeakPolarHBondContact O-CA 3.4Å; E1120-A1124 WeakPolarHBondContact O-CB 3.21Å; E1120-A1124 PolarHBondContact O-N 2.9Å |
| 1121 | S | 73.7 | Confident | 70.1 | Confident | 72 Ų | 72 | 94 Ų | 94 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -77.1 | -41.4 | 168.4 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | R1117 A1124 E1125 | R1117-S1121 WeakPolarHBondContact O-CA 3.27Å; R1117-S1121 WeakPolarHBondContact O-CB 3.27Å; R1117-S1121 PolarHBondContact O-N 2.66Å; S1121-A1124 CarbonylContact O-C 3.6Å; S1121-A1124 PolarHBondContact O-N 3.46Å; S1121-E1125 WeakPolarHBondContact O-CB 3.14Å; S1121-E1125 PolarHBondContact O-N 3.21Å |
| 1122 | Q | 71 | Confident | 70.1 | Confident | 107 Ų | 107 | 94 Ų | 94 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.9 | -24.8 | 169.1 | -72.1 | 171.9 | 2.8 | 0 | 0 | 110.5 | E1118 T1126 | E1118-Q1122 WeakPolarHBondContact O-CA 3.12Å; E1118-Q1122 WeakPolarHBondContact O-CB 3.37Å; E1118-Q1122 WeakPolarHBondContact O-CG 3.28Å; E1118-Q1122 PolarHBondContact O-N 2.67Å; Q1122-T1126 WeakPolarHBondContact O-CA 3.07Å; Q1122-T1126 WeakPolarHBondContact O-CB 3.21Å; Q1122-T1126 WeakPolarHBondContact O-CG2 2.91Å; Q1122-T1126 PolarHBondContact O-N 3.47Å; Q1122-T1126 PolarHBondContact O-OG1 3.38Å |
| 1123 | L | 63.3 | Low | 70 | Confident | 91 Ų | 91 | 93.1 Ų | 93.1 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -79.9 | -20.2 | 165.7 | -92.5 | 154.3 | 0 | 0 | 0 | 110.3 | L1119 E1120 T1126 A1127 | L1119-L1123 VanDerWaalsContact C-N 3.34Å; L1119-L1123 WeakPolarHBondContact O-CA 3.24Å; L1119-L1123 WeakPolarHBondContact O-CB 3.4Å; L1119-L1123 VanDerWaalsContact O-CD1 3.27Å; L1119-L1123 WeakPolarHBondContact O-CD1 3.49Å; L1119-L1123 WeakPolarHBondContact O-CG 3.29Å; L1119-L1123 PolarHBondContact O-N 3.48Å; E1120-L1123 CarbonylContact O-C 2.97Å; L1123-T1126 WeakPolarHBondContact CA-OG1 3.37Å; L1123-A1127 WeakPolarHBondContact O-CA 2.91Å; L1123-A1127 WeakPolarHBondContact O-CB 3.42Å; L1123-A1127 PolarHBondContact O-N 3.41Å |
| 1124 | A | 71.6 | Confident | 69.9 | Low | 54 Ų | 54 | 94.7 Ų | 94.7 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -81.1 | -39.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | E1120 S1121 A1127 E1128 | E1120-A1124 WeakPolarHBondContact O-CA 3.4Å; E1120-A1124 WeakPolarHBondContact O-CB 3.21Å; E1120-A1124 PolarHBondContact O-N 2.9Å; S1121-A1124 CarbonylContact O-C 3.6Å; S1121-A1124 PolarHBondContact O-N 3.46Å; A1124-A1127 CarbonylContact O-C 3.52Å; A1124-A1127 PolarHBondContact O-N 2.97Å; A1124-E1128 WeakPolarHBondContact O-CB 3.47Å; A1124-E1128 PolarHBondContact O-N 3.4Å |
| 1125 | E | 72.1 | Confident | 69.7 | Low | 119 Ų | 119 | 93.3 Ų | 93.3 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -77 | -40.1 | 176 | -163.4 | 173.3 | -146.4 | 0 | 0 | 110.3 | S1121 E1128 D1129 | S1121-E1125 WeakPolarHBondContact O-CB 3.14Å; S1121-E1125 PolarHBondContact O-N 3.21Å; E1125-E1128 CarbonylContact O-C 3.4Å; E1125-E1128 PolarHBondContact O-N 3.12Å; E1125-D1129 WeakPolarHBondContact O-CA 3.33Å; E1125-D1129 VanDerWaalsContact O-CB 3.23Å; E1125-D1129 WeakPolarHBondContact O-CB 3.04Å; E1125-D1129 VanDerWaalsContact O-CG 3.23Å; E1125-D1129 PolarHBondContact O-N 2.91Å |
| 1126 | T | 66.5 | Low | 69.7 | Low | 74 Ų | 74 | 94.4 Ų | 94.4 | 45% | 0.454 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -77.3 | -15.9 | 165.3 | 68.5 | 0 | 0 | 0 | 0 | 113 | Q1122 L1123 L1130 | Q1122-T1126 WeakPolarHBondContact O-CA 3.07Å; Q1122-T1126 WeakPolarHBondContact O-CB 3.21Å; Q1122-T1126 WeakPolarHBondContact O-CG2 2.91Å; Q1122-T1126 PolarHBondContact O-N 3.47Å; Q1122-T1126 PolarHBondContact O-OG1 3.38Å; L1123-T1126 WeakPolarHBondContact CA-OG1 3.37Å; T1126-L1130 VanDerWaalsContact O-CA 3.24Å; T1126-L1130 WeakPolarHBondContact O-CA 3.5Å; T1126-L1130 WeakPolarHBondContact O-CB 3.27Å; T1126-L1130 PolarHBondContact O-N 2.89Å |
| 1127 | A | 68.2 | Low | 69.7 | Low | 40 Ų | 40 | 97.2 Ų | 97.2 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -81.8 | -27.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1123 A1124 L1130 E1131 | L1123-A1127 WeakPolarHBondContact O-CA 2.91Å; L1123-A1127 WeakPolarHBondContact O-CB 3.42Å; L1123-A1127 PolarHBondContact O-N 3.41Å; A1124-A1127 CarbonylContact O-C 3.52Å; A1124-A1127 PolarHBondContact O-N 2.97Å; A1127-L1130 CarbonylContact O-C 3.48Å; A1127-E1131 WeakPolarHBondContact O-CA 3.35Å; A1127-E1131 WeakPolarHBondContact O-CB 3.02Å; A1127-E1131 PolarHBondContact O-N 3.44Å |
| 1128 | E | 71.4 | Confident | 69.5 | Low | 144 Ų | 144 | 91.3 Ų | 91.3 | 67% | 0.673 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -79.2 | -32.7 | 174.3 | -159.4 | 165.8 | -147.5 | 0 | 0 | 109.8 | A1124 E1125 S1132 | A1124-E1128 WeakPolarHBondContact O-CB 3.47Å; A1124-E1128 PolarHBondContact O-N 3.4Å; E1125-E1128 CarbonylContact O-C 3.4Å; E1125-E1128 PolarHBondContact O-N 3.12Å; E1128-S1132 WeakPolarHBondContact O-CA 3.49Å; E1128-S1132 WeakPolarHBondContact O-CB 3.41Å; E1128-S1132 PolarHBondContact O-N 3.49Å; E1128-S1132 PolarHBondContact O-OG 2.91Å; E1128-S1132 VanDerWaalsContact O-OG 3.05Å |
| 1129 | D | 70.1 | Confident | 69.4 | Low | 95 Ų | 95 | 92.4 Ų | 92.4 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76.3 | -34.1 | 166.8 | -69.3 | -21.6 | 0 | 0 | 0 | 111.6 | E1125 S1132 E1133 | E1125-D1129 WeakPolarHBondContact O-CA 3.33Å; E1125-D1129 VanDerWaalsContact O-CB 3.23Å; E1125-D1129 WeakPolarHBondContact O-CB 3.04Å; E1125-D1129 VanDerWaalsContact O-CG 3.23Å; E1125-D1129 PolarHBondContact O-N 2.91Å; D1129-S1132 WeakPolarHBondContact CA-OG 3.43Å; D1129-S1132 PolarHBondContact O-OG 2.89Å; D1129-E1133 VanDerWaalsContact O-CA 3.25Å; D1129-E1133 WeakPolarHBondContact O-CA 3.48Å; D1129-E1133 WeakPolarHBondContact O-CB 3.2Å; D1129-E1133 PolarHBondContact O-N 2.85Å |
| 1130 | L | 65.4 | Low | 69.5 | Low | 70 Ų | 70 | 90.2 Ų | 90.2 | 37% | 0.366 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.6 | -22.1 | 171 | -176.8 | 72.2 | 0 | 0 | 0 | 110.3 | T1126 A1127 K1134 | T1126-L1130 VanDerWaalsContact O-CA 3.24Å; T1126-L1130 WeakPolarHBondContact O-CA 3.5Å; T1126-L1130 WeakPolarHBondContact O-CB 3.27Å; T1126-L1130 PolarHBondContact O-N 2.89Å; A1127-L1130 CarbonylContact O-C 3.48Å; L1130-K1134 HydrophobicContact CD1-CG 4.34Å; L1130-K1134 HydrophobicContact CG-CD 4.03Å; L1130-K1134 HydrophobicContact CG-CG 4.13Å; L1130-K1134 VanDerWaalsContact O-CA 3.23Å; L1130-K1134 WeakPolarHBondContact O-CA 3.49Å; L1130-K1134 WeakPolarHBondContact O-CB 3.21Å; L1130-K1134 VanDerWaalsContact O-CD 3.3Å; L1130-K1134 WeakPolarHBondContact O-CD 3.48Å; L1130-K1134 WeakPolarHBondContact O-CG 3.25Å; L1130-K1134 PolarHBondContact O-N 3.31Å |
| 1131 | E | 69.2 | Low | 69.6 | Low | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -83.9 | -34.2 | 172.4 | -149.6 | 73.4 | -177 | 0 | 0 | 109.3 | A1127 K1134 V1135 | A1127-E1131 WeakPolarHBondContact O-CA 3.35Å; A1127-E1131 WeakPolarHBondContact O-CB 3.02Å; A1127-E1131 PolarHBondContact O-N 3.44Å; E1131-K1134 CarbonylContact O-C 3.44Å; E1131-K1134 IonicContact OE2-NZ 3.74Å; E1131-V1135 WeakPolarHBondContact O-CB 3.36Å; E1131-V1135 WeakPolarHBondContact O-CG2 3.36Å; E1131-V1135 PolarHBondContact O-N 3.34Å |
| 1132 | S | 71.9 | Confident | 69.5 | Low | 55 Ų | 55 | 90.8 Ų | 90.8 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.2 | -37.8 | 170.5 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | E1128 D1129 V1135 L1136 | E1128-S1132 WeakPolarHBondContact O-CA 3.49Å; E1128-S1132 WeakPolarHBondContact O-CB 3.41Å; E1128-S1132 PolarHBondContact O-N 3.49Å; E1128-S1132 PolarHBondContact O-OG 2.91Å; E1128-S1132 VanDerWaalsContact O-OG 3.05Å; D1129-S1132 WeakPolarHBondContact CA-OG 3.43Å; D1129-S1132 PolarHBondContact O-OG 2.89Å; S1132-V1135 CarbonylContact O-C 3.48Å; S1132-V1135 PolarHBondContact O-N 3.39Å; S1132-L1136 VanDerWaalsContact O-CB 3.26Å; S1132-L1136 WeakPolarHBondContact O-CB 3.35Å; S1132-L1136 WeakPolarHBondContact O-CG 3.16Å; S1132-L1136 PolarHBondContact O-N 3.34Å |
| 1133 | E | 68.6 | Low | 69.5 | Low | 86 Ų | 86 | 92 Ų | 92 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 168.7 | -162.1 | -154.9 | 150 | 0 | 0 | 109.2 | D1129 V1135 L1136 R1137 | D1129-E1133 VanDerWaalsContact O-CA 3.25Å; D1129-E1133 WeakPolarHBondContact O-CA 3.48Å; D1129-E1133 WeakPolarHBondContact O-CB 3.2Å; D1129-E1133 PolarHBondContact O-N 2.85Å; E1133-V1135 VanDerWaalsContact C-N 3.31Å; E1133-V1135 PolarHBondContact O-N 3.07Å; E1133-L1136 CarbonylContact O-C 3.36Å; E1133-L1136 PolarHBondContact O-N 2.75Å; E1133-R1137 VanDerWaalsContact O-CA 3.22Å; E1133-R1137 WeakPolarHBondContact O-CA 3.06Å; E1133-R1137 WeakPolarHBondContact O-CB 3.47Å; E1133-R1137 PolarHBondContact O-N 2.91Å; E1133-R1137 IonicContact OE1-CZ 2.82Å; E1133-R1137 IonicContact OE1-NE 3.87Å; E1133-R1137 IonicContact OE1-NH1 2.6Å; E1133-R1137 PolarHBondContact OE1-NH1 3.28Å |
| 1134 | K | 67.7 | Low | 70 | Confident | 103 Ų | 103 | 94.4 Ų | 94.4 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -28.8 | 170.7 | -82.6 | 165.8 | 179.4 | 174.4 | 0 | 111.1 | L1130 E1131 A1138 | L1130-K1134 HydrophobicContact CD1-CG 4.34Å; L1130-K1134 HydrophobicContact CG-CD 4.03Å; L1130-K1134 HydrophobicContact CG-CG 4.13Å; L1130-K1134 VanDerWaalsContact O-CA 3.23Å; L1130-K1134 WeakPolarHBondContact O-CA 3.49Å; L1130-K1134 WeakPolarHBondContact O-CB 3.21Å; L1130-K1134 VanDerWaalsContact O-CD 3.3Å; L1130-K1134 WeakPolarHBondContact O-CD 3.48Å; L1130-K1134 WeakPolarHBondContact O-CG 3.25Å; L1130-K1134 PolarHBondContact O-N 3.31Å; E1131-K1134 CarbonylContact O-C 3.44Å; E1131-K1134 IonicContact OE2-NZ 3.74Å; K1134-A1138 VanDerWaalsContact O-CA 3.26Å; K1134-A1138 WeakPolarHBondContact O-CA 3.39Å; K1134-A1138 WeakPolarHBondContact O-CB 3.32Å; K1134-A1138 PolarHBondContact O-N 3.02Å |
| 1135 | V | 69.7 | Low | 70.1 | Confident | 88 Ų | 88 | 100 Ų | 100 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75 | -37.3 | 172 | 166.4 | 0 | 0 | 0 | 0 | 109.9 | E1131 S1132 E1133 K1139 | E1131-V1135 WeakPolarHBondContact O-CB 3.36Å; E1131-V1135 WeakPolarHBondContact O-CG2 3.36Å; E1131-V1135 PolarHBondContact O-N 3.34Å; S1132-V1135 CarbonylContact O-C 3.48Å; S1132-V1135 PolarHBondContact O-N 3.39Å; E1133-V1135 VanDerWaalsContact C-N 3.31Å; E1133-V1135 PolarHBondContact O-N 3.07Å; V1135-K1139 WeakPolarHBondContact O-CB 3.1Å; V1135-K1139 PolarHBondContact O-N 3.39Å |
| 1136 | L | 71.2 | Confident | 70.2 | Confident | 114 Ų | 114 | 97.6 Ų | 97.6 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -76 | -28.4 | 175.2 | -74 | 170.7 | 0 | 0 | 0 | 113 | S1132 E1133 K1139 A1140 | S1132-L1136 VanDerWaalsContact O-CB 3.26Å; S1132-L1136 WeakPolarHBondContact O-CB 3.35Å; S1132-L1136 WeakPolarHBondContact O-CG 3.16Å; S1132-L1136 PolarHBondContact O-N 3.34Å; E1133-L1136 CarbonylContact O-C 3.36Å; E1133-L1136 PolarHBondContact O-N 2.75Å; L1136-K1139 CarbonylContact O-C 3.51Å; L1136-A1140 WeakPolarHBondContact O-CA 3.47Å; L1136-A1140 WeakPolarHBondContact O-CB 3.49Å; L1136-A1140 PolarHBondContact O-N 2.66Å |
| 1137 | R | 70.4 | Confident | 70.3 | Confident | 131 Ų | 131 | 98.8 Ų | 98.8 | 49% | 0.494 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -95.9 | -23.4 | -180 | -165 | 177.1 | -172.1 | 164.7 | -5.7 | 110.4 | E1133 D1141 | E1133-R1137 VanDerWaalsContact O-CA 3.22Å; E1133-R1137 WeakPolarHBondContact O-CA 3.06Å; E1133-R1137 WeakPolarHBondContact O-CB 3.47Å; E1133-R1137 PolarHBondContact O-N 2.91Å; E1133-R1137 IonicContact OE1-CZ 2.82Å; E1133-R1137 IonicContact OE1-NE 3.87Å; E1133-R1137 IonicContact OE1-NH1 2.6Å; E1133-R1137 PolarHBondContact OE1-NH1 3.28Å; R1137-D1141 VanDerWaalsContact O-CA 3.26Å; R1137-D1141 WeakPolarHBondContact O-CA 3.49Å; R1137-D1141 WeakPolarHBondContact O-CB 3.35Å; R1137-D1141 PolarHBondContact O-N 3.49Å |
| 1138 | A | 67.7 | Low | 70.5 | Confident | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.8 | -30.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110 | K1134 K1142 | K1134-A1138 VanDerWaalsContact O-CA 3.26Å; K1134-A1138 WeakPolarHBondContact O-CA 3.39Å; K1134-A1138 WeakPolarHBondContact O-CB 3.32Å; K1134-A1138 PolarHBondContact O-N 3.02Å; A1138-K1142 WeakPolarHBondContact O-CA 3.36Å; A1138-K1142 WeakPolarHBondContact O-CB 3.29Å; A1138-K1142 PolarHBondContact O-N 2.86Å |
| 1139 | K | 70.7 | Confident | 70.6 | Confident | 136 Ų | 136 | 97.9 Ų | 97.9 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.7 | -38.8 | 166.1 | -99.3 | -177.6 | 172.7 | 177.4 | 0 | 112.1 | V1135 L1136 Q1143 | V1135-K1139 WeakPolarHBondContact O-CB 3.1Å; V1135-K1139 PolarHBondContact O-N 3.39Å; L1136-K1139 CarbonylContact O-C 3.51Å; K1139-Q1143 VanDerWaalsContact O-CB 3.25Å; K1139-Q1143 WeakPolarHBondContact O-CB 3.42Å; K1139-Q1143 WeakPolarHBondContact O-CG 3.35Å; K1139-Q1143 PolarHBondContact O-N 2.91Å |
| 1140 | A | 71.9 | Confident | 70.7 | Confident | 44 Ų | 44 | 98.7 Ų | 98.7 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.7 | -35.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1136 Q1143 K1144 | L1136-A1140 WeakPolarHBondContact O-CA 3.47Å; L1136-A1140 WeakPolarHBondContact O-CB 3.49Å; L1136-A1140 PolarHBondContact O-N 2.66Å; A1140-Q1143 CarbonylContact O-C 3.55Å; A1140-Q1143 PolarHBondContact O-N 3.45Å; A1140-K1144 WeakPolarHBondContact O-CA 3.43Å; A1140-K1144 WeakPolarHBondContact O-CB 3.39Å; A1140-K1144 PolarHBondContact O-N 3.48Å |
| 1141 | D | 69.4 | Low | 70.9 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 33% | 0.326 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.5 | -27.3 | 170.8 | -72.1 | -24.5 | 0 | 0 | 0 | 110.8 | R1137 R1145 | R1137-D1141 VanDerWaalsContact O-CA 3.26Å; R1137-D1141 WeakPolarHBondContact O-CA 3.49Å; R1137-D1141 WeakPolarHBondContact O-CB 3.35Å; R1137-D1141 PolarHBondContact O-N 3.49Å; D1141-R1145 WeakPolarHBondContact O-CA 3.38Å; D1141-R1145 WeakPolarHBondContact O-CB 3.48Å; D1141-R1145 WeakPolarHBondContact O-CG 3.43Å; D1141-R1145 PolarHBondContact O-N 2.81Å |
| 1142 | K | 72.6 | Confident | 71.1 | Confident | 130 Ų | 130 | 101.7 Ų | 101.7 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.4 | -45.6 | 164.7 | -174.8 | 178.8 | 180 | -175.6 | 0 | 109.9 | A1138 K1144 R1145 D1146 | A1138-K1142 WeakPolarHBondContact O-CA 3.36Å; A1138-K1142 WeakPolarHBondContact O-CB 3.29Å; A1138-K1142 PolarHBondContact O-N 2.86Å; K1142-K1144 VanDerWaalsContact C-N 3.26Å; K1142-K1144 PolarHBondContact O-N 3.32Å; K1142-R1145 CarbonylContact O-C 3.29Å; K1142-R1145 PolarHBondContact O-N 2.8Å; K1142-D1146 WeakPolarHBondContact O-CA 3.49Å; K1142-D1146 WeakPolarHBondContact O-CB 3.2Å; K1142-D1146 PolarHBondContact O-N 2.94Å |
| 1143 | Q | 71.1 | Confident | 71.1 | Confident | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -29.1 | 172.3 | -82 | -179.3 | -27.2 | 0 | 0 | 112.7 | K1139 A1140 L1147 | K1139-Q1143 VanDerWaalsContact O-CB 3.25Å; K1139-Q1143 WeakPolarHBondContact O-CB 3.42Å; K1139-Q1143 WeakPolarHBondContact O-CG 3.35Å; K1139-Q1143 PolarHBondContact O-N 2.91Å; A1140-Q1143 CarbonylContact O-C 3.55Å; A1140-Q1143 PolarHBondContact O-N 3.45Å; Q1143-L1147 WeakPolarHBondContact O-CA 3.07Å; Q1143-L1147 WeakPolarHBondContact O-CB 3.4Å; Q1143-L1147 WeakPolarHBondContact O-CD1 3.47Å; Q1143-L1147 WeakPolarHBondContact O-CG 3.45Å; Q1143-L1147 PolarHBondContact O-N 2.82Å |
| 1144 | K | 73.4 | Confident | 71 | Confident | 143 Ų | 143 | 102.9 Ų | 102.9 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -86.9 | -26.1 | 178.9 | -164.9 | -176.2 | -175 | -171.6 | 0 | 111.2 | A1140 K1142 A1148 | A1140-K1144 WeakPolarHBondContact O-CA 3.43Å; A1140-K1144 WeakPolarHBondContact O-CB 3.39Å; A1140-K1144 PolarHBondContact O-N 3.48Å; K1142-K1144 VanDerWaalsContact C-N 3.26Å; K1142-K1144 PolarHBondContact O-N 3.32Å; K1144-A1148 WeakPolarHBondContact O-CA 3.49Å; K1144-A1148 WeakPolarHBondContact O-CB 3.25Å; K1144-A1148 PolarHBondContact O-N 2.97Å |
| 1145 | R | 72.9 | Confident | 71.1 | Confident | 171 Ų | 171 | 103.9 Ų | 103.9 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -76.5 | -40.2 | 165.2 | -80.6 | 179.9 | -168.1 | 134.8 | 4.9 | 110.6 | D1141 K1142 A1148 E1149 | D1141-R1145 WeakPolarHBondContact O-CA 3.38Å; D1141-R1145 WeakPolarHBondContact O-CB 3.48Å; D1141-R1145 WeakPolarHBondContact O-CG 3.43Å; D1141-R1145 PolarHBondContact O-N 2.81Å; K1142-R1145 CarbonylContact O-C 3.29Å; K1142-R1145 PolarHBondContact O-N 2.8Å; R1145-A1148 CarbonylContact O-C 3.57Å; R1145-A1148 PolarHBondContact O-N 3.04Å; R1145-E1149 WeakPolarHBondContact O-CA 3.24Å; R1145-E1149 WeakPolarHBondContact O-CB 3.37Å; R1145-E1149 WeakPolarHBondContact O-CG 3.33Å; R1145-E1149 PolarHBondContact O-N 3.21Å |
| 1146 | D | 73.5 | Confident | 70.8 | Confident | 68 Ų | 68 | 102.9 Ų | 102.9 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 172.1 | -63.7 | -9.6 | 0 | 0 | 0 | 108.8 | K1142 E1150 | K1142-D1146 WeakPolarHBondContact O-CA 3.49Å; K1142-D1146 WeakPolarHBondContact O-CB 3.2Å; K1142-D1146 PolarHBondContact O-N 2.94Å; D1146-E1150 WeakPolarHBondContact O-CA 3Å; D1146-E1150 WeakPolarHBondContact O-CB 3.22Å; D1146-E1150 WeakPolarHBondContact O-CG 3.49Å; D1146-E1150 PolarHBondContact O-N 2.94Å |
| 1147 | L | 69.3 | Low | 70.6 | Confident | 99 Ų | 99 | 103.5 Ų | 103.5 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.5 | -26.8 | 172.6 | -78.6 | 163.4 | 0 | 0 | 0 | 113.3 | Q1143 L1151 | Q1143-L1147 WeakPolarHBondContact O-CA 3.07Å; Q1143-L1147 WeakPolarHBondContact O-CB 3.4Å; Q1143-L1147 WeakPolarHBondContact O-CD1 3.47Å; Q1143-L1147 WeakPolarHBondContact O-CG 3.45Å; Q1143-L1147 PolarHBondContact O-N 2.82Å; L1147-L1151 WeakPolarHBondContact O-CA 3.38Å; L1147-L1151 WeakPolarHBondContact O-CB 3.45Å; L1147-L1151 WeakPolarHBondContact O-CG 3.45Å; L1147-L1151 PolarHBondContact O-N 3.45Å |
| 1148 | A | 72.5 | Confident | 69.9 | Low | 43 Ų | 43 | 102.6 Ų | 102.6 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -82.6 | -34.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1144 R1145 L1151 E1152 | K1144-A1148 WeakPolarHBondContact O-CA 3.49Å; K1144-A1148 WeakPolarHBondContact O-CB 3.25Å; K1144-A1148 PolarHBondContact O-N 2.97Å; R1145-A1148 CarbonylContact O-C 3.57Å; R1145-A1148 PolarHBondContact O-N 3.04Å; A1148-L1151 CarbonylContact O-C 3.6Å; A1148-L1151 PolarHBondContact O-N 3.38Å; A1148-E1152 WeakPolarHBondContact O-CA 3.41Å; A1148-E1152 WeakPolarHBondContact O-CB 3.14Å; A1148-E1152 WeakPolarHBondContact O-CG 3.47Å; A1148-E1152 PolarHBondContact O-N 2.95Å |
| 1149 | E | 73.2 | Confident | 69.5 | Low | 123 Ų | 123 | 105.8 Ų | 105.8 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.6 | -42.1 | 166 | -82.1 | -175.7 | 157 | 0 | 0 | 108.7 | R1145 L1151 E1152 T1153 | R1145-E1149 WeakPolarHBondContact O-CA 3.24Å; R1145-E1149 WeakPolarHBondContact O-CB 3.37Å; R1145-E1149 WeakPolarHBondContact O-CG 3.33Å; R1145-E1149 PolarHBondContact O-N 3.21Å; E1149-L1151 VanDerWaalsContact C-N 3.33Å; E1149-L1151 PolarHBondContact O-N 2.8Å; E1149-E1152 CarbonylContact O-C 3.58Å; E1149-E1152 PolarHBondContact O-N 2.71Å; E1149-T1153 WeakPolarHBondContact O-CA 3.44Å; E1149-T1153 VanDerWaalsContact O-CB 3.3Å; E1149-T1153 WeakPolarHBondContact O-CB 3.32Å; E1149-T1153 VanDerWaalsContact O-CG2 3.25Å; E1149-T1153 WeakPolarHBondContact O-CG2 3.02Å; E1149-T1153 PolarHBondContact O-N 2.86Å; E1149-T1153 PolarHBondContact O-OG1 3Å |
| 1150 | E | 71.7 | Confident | 68.9 | Low | 111 Ų | 111 | 107.3 Ų | 107.3 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 170.9 | -81.8 | 179.1 | -178.1 | 0 | 0 | 111.4 | D1146 T1153 L1154 | D1146-E1150 WeakPolarHBondContact O-CA 3Å; D1146-E1150 WeakPolarHBondContact O-CB 3.22Å; D1146-E1150 WeakPolarHBondContact O-CG 3.49Å; D1146-E1150 PolarHBondContact O-N 2.94Å; E1150-T1153 WeakPolarHBondContact CA-OG1 3.47Å; E1150-T1153 PolarHBondContact O-OG1 3.36Å; E1150-L1154 WeakPolarHBondContact O-CA 3.27Å; E1150-L1154 WeakPolarHBondContact O-CB 3.29Å; E1150-L1154 WeakPolarHBondContact O-CD1 3.5Å; E1150-L1154 WeakPolarHBondContact O-CG 3.41Å; E1150-L1154 PolarHBondContact O-N 2.81Å |
| 1151 | L | 71.3 | Confident | 68.1 | Low | 113 Ų | 113 | 109.2 Ų | 109.2 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72 | -32.5 | 174.1 | -95.2 | 163.6 | 0 | 0 | 0 | 112.3 | L1147 A1148 E1149 K1155 | L1147-L1151 WeakPolarHBondContact O-CA 3.38Å; L1147-L1151 WeakPolarHBondContact O-CB 3.45Å; L1147-L1151 WeakPolarHBondContact O-CG 3.45Å; L1147-L1151 PolarHBondContact O-N 3.45Å; A1148-L1151 CarbonylContact O-C 3.6Å; A1148-L1151 PolarHBondContact O-N 3.38Å; E1149-L1151 VanDerWaalsContact C-N 3.33Å; E1149-L1151 PolarHBondContact O-N 2.8Å; L1151-K1155 WeakPolarHBondContact O-CA 3.43Å; L1151-K1155 WeakPolarHBondContact O-CB 3.44Å; L1151-K1155 PolarHBondContact O-N 2.84Å |
| 1152 | E | 72 | Confident | 66.9 | Low | 129 Ų | 129 | 111.4 Ų | 111.4 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -79.2 | -33.8 | 175.5 | -89.2 | -175.6 | 154.1 | 0 | 0 | 111.2 | A1148 E1149 K1155 T1156 | A1148-E1152 WeakPolarHBondContact O-CA 3.41Å; A1148-E1152 WeakPolarHBondContact O-CB 3.14Å; A1148-E1152 WeakPolarHBondContact O-CG 3.47Å; A1148-E1152 PolarHBondContact O-N 2.95Å; E1149-E1152 CarbonylContact O-C 3.58Å; E1149-E1152 PolarHBondContact O-N 2.71Å; E1152-K1155 CarbonylContact O-C 3.37Å; E1152-K1155 PolarHBondContact O-N 3.41Å; E1152-T1156 VanDerWaalsContact O-CB 3.32Å; E1152-T1156 WeakPolarHBondContact O-CB 3.43Å; E1152-T1156 WeakPolarHBondContact O-CG2 3.38Å; E1152-T1156 PolarHBondContact O-N 3.35Å; E1152-T1156 PolarHBondContact O-OG1 3.42Å |
| 1153 | T | 72.6 | Confident | 65.6 | Low | 71 Ų | 71 | 112.4 Ų | 112.4 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71 | -40.4 | 168.7 | 55.5 | 0 | 0 | 0 | 0 | 110 | E1149 E1150 T1156 E1157 | E1149-T1153 WeakPolarHBondContact O-CA 3.44Å; E1149-T1153 VanDerWaalsContact O-CB 3.3Å; E1149-T1153 WeakPolarHBondContact O-CB 3.32Å; E1149-T1153 VanDerWaalsContact O-CG2 3.25Å; E1149-T1153 WeakPolarHBondContact O-CG2 3.02Å; E1149-T1153 PolarHBondContact O-N 2.86Å; E1149-T1153 PolarHBondContact O-OG1 3Å; E1150-T1153 WeakPolarHBondContact CA-OG1 3.47Å; E1150-T1153 PolarHBondContact O-OG1 3.36Å; T1153-T1156 VanDerWaalsContact CA-OG1 3.25Å; T1153-T1156 WeakPolarHBondContact CA-OG1 3.11Å; T1153-T1156 PolarHBondContact O-N 2.96Å; T1153-T1156 PolarHBondContact O-OG1 3.27Å; T1153-E1157 WeakPolarHBondContact O-CB 3.44Å; T1153-E1157 WeakPolarHBondContact O-CG 3.32Å; T1153-E1157 PolarHBondContact O-N 2.62Å |
| 1154 | L | 66.4 | Low | 64.6 | Low | 95 Ų | 95 | 113.9 Ų | 113.9 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67 | -37.2 | 169.6 | -87.5 | 158 | 0 | 0 | 0 | 110.7 | E1150 E1157 L1158 | E1150-L1154 WeakPolarHBondContact O-CA 3.27Å; E1150-L1154 WeakPolarHBondContact O-CB 3.29Å; E1150-L1154 WeakPolarHBondContact O-CD1 3.5Å; E1150-L1154 WeakPolarHBondContact O-CG 3.41Å; E1150-L1154 PolarHBondContact O-N 2.81Å; L1154-E1157 CarbonylContact O-C 3.48Å; L1154-E1157 PolarHBondContact O-N 3.46Å; L1154-L1158 WeakPolarHBondContact O-CB 3.31Å; L1154-L1158 PolarHBondContact O-N 2.99Å |
| 1155 | K | 69.8 | Low | 63.5 | Low | 123 Ų | 123 | 112 Ų | 112 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -41.9 | 175.2 | -124.1 | 174.8 | 163.8 | -173.4 | 0 | 111.1 | L1151 E1152 L1158 E1159 | L1151-K1155 WeakPolarHBondContact O-CA 3.43Å; L1151-K1155 WeakPolarHBondContact O-CB 3.44Å; L1151-K1155 PolarHBondContact O-N 2.84Å; E1152-K1155 CarbonylContact O-C 3.37Å; E1152-K1155 PolarHBondContact O-N 3.41Å; K1155-L1158 CarbonylContact O-C 3.56Å; K1155-L1158 PolarHBondContact O-N 2.99Å; K1155-E1159 WeakPolarHBondContact O-CA 3.32Å; K1155-E1159 WeakPolarHBondContact O-CB 3.35Å; K1155-E1159 WeakPolarHBondContact O-CG 3.39Å; K1155-E1159 PolarHBondContact O-N 3.32Å |
| 1156 | T | 63.9 | Low | 62.8 | Low | 68 Ų | 68 | 111.4 Ų | 111.4 | 42% | 0.417 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.9 | -34.6 | 176.3 | 41.4 | 0 | 0 | 0 | 0 | 110.7 | E1152 T1153 E1159 E1160 | E1152-T1156 VanDerWaalsContact O-CB 3.32Å; E1152-T1156 WeakPolarHBondContact O-CB 3.43Å; E1152-T1156 WeakPolarHBondContact O-CG2 3.38Å; E1152-T1156 PolarHBondContact O-N 3.35Å; E1152-T1156 PolarHBondContact O-OG1 3.42Å; T1153-T1156 VanDerWaalsContact CA-OG1 3.25Å; T1153-T1156 WeakPolarHBondContact CA-OG1 3.11Å; T1153-T1156 PolarHBondContact O-N 2.96Å; T1153-T1156 PolarHBondContact O-OG1 3.27Å; T1156-E1159 PolarHBondContact O-N 3.23Å; T1156-E1160 WeakPolarHBondContact O-CA 3.27Å; T1156-E1160 WeakPolarHBondContact O-CB 3.49Å; T1156-E1160 WeakPolarHBondContact O-CG 3.32Å; T1156-E1160 PolarHBondContact O-N 3.15Å |
| 1157 | E | 66.1 | Low | 62.2 | Low | 127 Ų | 127 | 114 Ų | 114 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.6 | -31.3 | 167.8 | -74.8 | 179.4 | 173.6 | 0 | 0 | 112.4 | T1153 L1154 S1161 | T1153-E1157 WeakPolarHBondContact O-CB 3.44Å; T1153-E1157 WeakPolarHBondContact O-CG 3.32Å; T1153-E1157 PolarHBondContact O-N 2.62Å; L1154-E1157 CarbonylContact O-C 3.48Å; L1154-E1157 PolarHBondContact O-N 3.46Å; E1157-S1161 WeakPolarHBondContact O-CB 3.44Å; E1157-S1161 PolarHBondContact O-N 3.39Å; E1157-S1161 VanDerWaalsContact O-N 3.11Å; E1157-S1161 PolarHBondContact O-OG 3.26Å |
| 1158 | L | 56.4 | Low | 61.3 | Low | 111 Ų | 111 | 113 Ų | 113 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -79.4 | -30.1 | 174.9 | -141 | 89.8 | 0 | 0 | 0 | 112.9 | L1154 K1155 S1161 | L1154-L1158 WeakPolarHBondContact O-CB 3.31Å; L1154-L1158 PolarHBondContact O-N 2.99Å; K1155-L1158 CarbonylContact O-C 3.56Å; K1155-L1158 PolarHBondContact O-N 2.99Å; L1158-S1161 WeakPolarHBondContact CA-OG 3.33Å; L1158-S1161 PolarHBondContact O-OG 3.16Å |
| 1159 | E | 60.1 | Low | 60.8 | Low | 124 Ų | 124 | 117.4 Ų | 117.4 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -83.9 | -26.7 | 176.2 | -74.8 | 174.2 | -178.7 | 0 | 0 | 110.7 | K1155 T1156 H1162 | K1155-E1159 WeakPolarHBondContact O-CA 3.32Å; K1155-E1159 WeakPolarHBondContact O-CB 3.35Å; K1155-E1159 WeakPolarHBondContact O-CG 3.39Å; K1155-E1159 PolarHBondContact O-N 3.32Å; T1156-E1159 PolarHBondContact O-N 3.23Å; E1159-H1162 VanDerWaalsContact O-CB 3.3Å; E1159-H1162 WeakPolarHBondContact O-CB 3.39Å |
| 1160 | E | 57.3 | Low | 60.4 | Low | 169 Ų | 169 | 118.7 Ų | 118.7 | 79% | 0.79 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -85.5 | -15.2 | 171.9 | -71.8 | -177.2 | 168.7 | 0 | 0 | 113.4 | T1156 H1162 | T1156-E1160 WeakPolarHBondContact O-CA 3.27Å; T1156-E1160 WeakPolarHBondContact O-CB 3.49Å; T1156-E1160 WeakPolarHBondContact O-CG 3.32Å; T1156-E1160 PolarHBondContact O-N 3.15Å; E1160-H1162 VanDerWaalsContact C-N 3.35Å |
| 1161 | S | 54.7 | Low | 59.9 | Low | 84 Ų | 84 | 117.4 Ų | 117.4 | 59% | 0.587 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 9.6 | 169.3 | 56.3 | 0 | 0 | 0 | 0 | 114 | E1157 L1158 D1163 | E1157-S1161 WeakPolarHBondContact O-CB 3.44Å; E1157-S1161 PolarHBondContact O-N 3.39Å; E1157-S1161 VanDerWaalsContact O-N 3.11Å; E1157-S1161 PolarHBondContact O-OG 3.26Å; L1158-S1161 WeakPolarHBondContact CA-OG 3.33Å; L1158-S1161 PolarHBondContact O-OG 3.16Å; S1161-D1163 VanDerWaalsContact C-N 3.31Å; S1161-D1163 PolarHBondContact O-N 3.49Å |
| 1162 | H | 45.2 | Very low | 59.3 | Low | 107 Ų | 107 | 119.8 Ų | 119.8 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | trans | -86.8 | 46.3 | -168 | -142.1 | 85.2 | 0 | 0 | 0 | 115.2 | E1159 E1160 Q1168 | E1159-H1162 VanDerWaalsContact O-CB 3.3Å; E1159-H1162 WeakPolarHBondContact O-CB 3.39Å; E1160-H1162 VanDerWaalsContact C-N 3.35Å; H1162-Q1168 PolarHBondContact CE1-NE2 2.87Å; H1162-Q1168 PolarHBondContact ND1-NE2 3.36Å; H1162-Q1168 PolarHBondContact NE2-NE2 3.34Å | ||
| 1163 | D | 45.2 | Very low | 59.2 | Low | 150 Ų | 150 | 117.5 Ų | 117.5 | 80% | 0.802 | 59% | 0.59 | S | S | * | * | trans | -121.7 | 22.7 | -170.6 | -114.2 | 1.7 | 0 | 0 | 0 | 115.1 | S1161 | S1161-D1163 VanDerWaalsContact C-N 3.31Å; S1161-D1163 PolarHBondContact O-N 3.49Å | ||
| 1164 | H | 49.1 | Very low | 59.2 | Low | 163 Ų | 163 | 120.8 Ų | 120.8 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | trans | -132.7 | 93.9 | 176 | -75.5 | 22.8 | 0 | 0 | 0 | 112.7 | H1166 | H1164-H1166 PolarHBondContact O-N 3.43Š| ||
| 1165 | S | 49.7 | Very low | 59 | Low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 13.8 | -161.4 | 89.3 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1166 | H | 58.3 | Low | 59 | Low | 158 Ų | 158 | 123.6 Ų | 123.6 | 73% | 0.731 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -28.9 | -179.1 | -129.2 | -68.9 | 0 | 0 | 0 | 114.2 | H1164 Q1168 | H1164-H1166 PolarHBondContact O-N 3.43Å; H1166-Q1168 VanDerWaalsContact C-N 3.34Å |
| 1167 | I | 61.3 | Low | 59.5 | Low | 123 Ų | 123 | 127 Ų | 127 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77.3 | -25.4 | 176 | -65.8 | 172 | 0 | 0 | 0 | 111 | Q1169 L1171 | I1167-Q1169 VanDerWaalsContact C-N 3.26Å; I1167-Q1169 PolarHBondContact O-N 2.81Å; I1167-L1171 HydrophobicContact CG2-CD1 4.43Å; I1167-L1171 WeakPolarHBondContact O-CB 3.39Å; I1167-L1171 PolarHBondContact O-N 3.45Å |
| 1168 | Q | 51.8 | Low | 59.8 | Low | 78 Ų | 78 | 126.3 Ų | 126.3 | 36% | 0.364 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.4 | -21.2 | -179.6 | -118.2 | -178.6 | 13.6 | 0 | 0 | 114.3 | H1162 H1166 R1172 | H1162-Q1168 PolarHBondContact CE1-NE2 2.87Å; H1162-Q1168 PolarHBondContact ND1-NE2 3.36Å; H1162-Q1168 PolarHBondContact NE2-NE2 3.34Å; H1166-Q1168 VanDerWaalsContact C-N 3.34Å; Q1168-R1172 WeakPolarHBondContact O-CB 3.44Å; Q1168-R1172 WeakPolarHBondContact O-CG 3.32Å; Q1168-R1172 PolarHBondContact O-N 3.48Å |
| 1169 | Q | 61 | Low | 60.2 | Low | 135 Ų | 135 | 125.6 Ų | 125.6 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -82.9 | -37.6 | -179.2 | -152.6 | 168.3 | 3.2 | 0 | 0 | 111.7 | I1167 R1172 T1173 | I1167-Q1169 VanDerWaalsContact C-N 3.26Å; I1167-Q1169 PolarHBondContact O-N 2.81Å; Q1169-R1172 WeakPolarHBondContact O-CB 3.32Å; Q1169-R1172 PolarHBondContact O-N 3.27Å; Q1169-T1173 PolarHBondContact O-N 2.9Å; Q1169-T1173 VanDerWaalsContact O-N 3.1Å |
| 1170 | E | 65.7 | Low | 60.8 | Low | 149 Ų | 149 | 122.5 Ų | 122.5 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.3 | -33 | 170.1 | -73.7 | -174.6 | 159.4 | 0 | 0 | 112.5 | R1172 T1173 K1174 | E1170-R1172 VanDerWaalsContact C-N 3.26Å; E1170-R1172 PolarHBondContact O-N 3.32Å; E1170-T1173 PolarHBondContact O-OG1 2.86Å; E1170-K1174 PolarHBondContact O-N 3.19Å; E1170-K1174 VanDerWaalsContact O-N 3.08Å |
| 1171 | L | 60.2 | Low | 61.7 | Low | 85 Ų | 85 | 121 Ų | 121 | 45% | 0.445 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.5 | -26.4 | 169.8 | -132.4 | 100.7 | 0 | 0 | 0 | 111.5 | I1167 R1175 | I1167-L1171 HydrophobicContact CG2-CD1 4.43Å; I1167-L1171 WeakPolarHBondContact O-CB 3.39Å; I1167-L1171 PolarHBondContact O-N 3.45Å; L1171-R1175 WeakPolarHBondContact O-CA 3.34Å; L1171-R1175 WeakPolarHBondContact O-CB 3.39Å; L1171-R1175 VanDerWaalsContact O-CG 3.26Å; L1171-R1175 WeakPolarHBondContact O-CG 3.35Å; L1171-R1175 PolarHBondContact O-N 3.32Å |
| 1172 | R | 59 | Low | 62.2 | Low | 163 Ų | 163 | 122.4 Ų | 122.4 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.7 | -41 | 173.2 | -93 | -179.2 | -179.2 | -158 | 1.7 | 112.2 | Q1168 Q1169 E1170 R1175 E1176 | Q1168-R1172 WeakPolarHBondContact O-CB 3.44Å; Q1168-R1172 WeakPolarHBondContact O-CG 3.32Å; Q1168-R1172 PolarHBondContact O-N 3.48Å; Q1169-R1172 WeakPolarHBondContact O-CB 3.32Å; Q1169-R1172 PolarHBondContact O-N 3.27Å; E1170-R1172 VanDerWaalsContact C-N 3.26Å; E1170-R1172 PolarHBondContact O-N 3.32Å; R1172-R1175 CarbonylContact O-C 3.54Å; R1172-R1175 PolarHBondContact O-N 3.4Å; R1172-E1176 VanDerWaalsContact O-CB 3.31Å; R1172-E1176 WeakPolarHBondContact O-CB 3.31Å; R1172-E1176 VanDerWaalsContact O-CG 3.3Å; R1172-E1176 WeakPolarHBondContact O-CG 3.4Å; R1172-E1176 PolarHBondContact O-N 2.82Å |
| 1173 | T | 70 | Confident | 63.5 | Low | 80 Ų | 80 | 123.6 Ų | 123.6 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.5 | -40.1 | 175.1 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | Q1169 E1170 E1176 E1177 | Q1169-T1173 PolarHBondContact O-N 2.9Å; Q1169-T1173 VanDerWaalsContact O-N 3.1Å; E1170-T1173 PolarHBondContact O-OG1 2.86Å; T1173-E1176 PolarHBondContact O-N 2.99Å; T1173-E1177 PolarHBondContact O-N 2.75Å |
| 1174 | K | 71.4 | Confident | 65 | Low | 140 Ų | 140 | 122.4 Ų | 122.4 | 61% | 0.609 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.1 | -37.2 | 170.3 | -84.8 | -173.6 | 175.4 | 179.4 | 0 | 112.8 | E1170 E1176 E1177 E1178 | E1170-K1174 PolarHBondContact O-N 3.19Å; E1170-K1174 VanDerWaalsContact O-N 3.08Å; K1174-E1176 VanDerWaalsContact C-N 3.33Å; K1174-E1177 PolarHBondContact O-N 3.4Å; K1174-E1178 VanDerWaalsContact O-CB 3.31Å; K1174-E1178 WeakPolarHBondContact O-CB 3.34Å; K1174-E1178 WeakPolarHBondContact O-CG 3.22Å; K1174-E1178 PolarHBondContact O-N 2.7Å |
| 1175 | R | 62.4 | Low | 66.3 | Low | 151 Ų | 151 | 118.1 Ų | 118.1 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.5 | -25.6 | 172.1 | -86.4 | -176.2 | 166.5 | 161.1 | -2.6 | 113 | L1171 R1172 L1179 | L1171-R1175 WeakPolarHBondContact O-CA 3.34Å; L1171-R1175 WeakPolarHBondContact O-CB 3.39Å; L1171-R1175 VanDerWaalsContact O-CG 3.26Å; L1171-R1175 WeakPolarHBondContact O-CG 3.35Å; L1171-R1175 PolarHBondContact O-N 3.32Å; R1172-R1175 CarbonylContact O-C 3.54Å; R1172-R1175 PolarHBondContact O-N 3.4Å; R1175-L1179 WeakPolarHBondContact O-CA 3.5Å; R1175-L1179 WeakPolarHBondContact O-CB 3.33Å; R1175-L1179 WeakPolarHBondContact O-CD1 3.31Å; R1175-L1179 WeakPolarHBondContact O-CG 3.27Å; R1175-L1179 PolarHBondContact O-N 3.3Å |
| 1176 | E | 69.5 | Low | 67.2 | Low | 127 Ų | 127 | 118.1 Ų | 118.1 | 59% | 0.593 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.9 | -37 | 173.8 | -82.9 | 173.7 | 179.5 | 0 | 0 | 110.9 | R1172 T1173 K1174 A1180 | R1172-E1176 VanDerWaalsContact O-CB 3.31Å; R1172-E1176 WeakPolarHBondContact O-CB 3.31Å; R1172-E1176 VanDerWaalsContact O-CG 3.3Å; R1172-E1176 WeakPolarHBondContact O-CG 3.4Å; R1172-E1176 PolarHBondContact O-N 2.82Å; T1173-E1176 PolarHBondContact O-N 2.99Å; K1174-E1176 VanDerWaalsContact C-N 3.33Å; E1176-A1180 WeakPolarHBondContact O-CB 3.42Å; E1176-A1180 PolarHBondContact O-N 2.88Å |
| 1177 | E | 75 | Confident | 68 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.4 | -43.2 | 169.3 | -75.6 | -178.3 | 159.3 | 0 | 0 | 111.9 | T1173 K1174 A1180 Q1181 | T1173-E1177 PolarHBondContact O-N 2.75Å; K1174-E1177 PolarHBondContact O-N 3.4Å; E1177-A1180 PolarHBondContact O-N 2.7Å; E1177-Q1181 WeakPolarHBondContact O-CB 3.38Å; E1177-Q1181 PolarHBondContact O-N 2.81Å |
| 1178 | E | 72.1 | Confident | 68.7 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.2 | -33.6 | 172.2 | -76.1 | 177.9 | 176.7 | 0 | 0 | 111.6 | K1174 L1182 | K1174-E1178 VanDerWaalsContact O-CB 3.31Å; K1174-E1178 WeakPolarHBondContact O-CB 3.34Å; K1174-E1178 WeakPolarHBondContact O-CG 3.22Å; K1174-E1178 PolarHBondContact O-N 2.7Å; E1178-L1182 WeakPolarHBondContact O-CA 3.17Å; E1178-L1182 WeakPolarHBondContact O-CB 3.48Å; E1178-L1182 WeakPolarHBondContact O-CD1 3.28Å; E1178-L1182 PolarHBondContact O-N 2.66Å |
| 1179 | L | 64.6 | Low | 69.7 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.8 | -33.4 | 171.1 | -101.1 | 151.6 | 0 | 0 | 0 | 111.7 | R1175 K1183 | R1175-L1179 WeakPolarHBondContact O-CA 3.5Å; R1175-L1179 WeakPolarHBondContact O-CB 3.33Å; R1175-L1179 WeakPolarHBondContact O-CD1 3.31Å; R1175-L1179 WeakPolarHBondContact O-CG 3.27Å; R1175-L1179 PolarHBondContact O-N 3.3Å; L1179-K1183 WeakPolarHBondContact O-CA 3.4Å; L1179-K1183 WeakPolarHBondContact O-CB 3.26Å; L1179-K1183 WeakPolarHBondContact O-CG 3.33Å; L1179-K1183 PolarHBondContact O-N 2.81Å |
| 1180 | A | 73.9 | Confident | 70.1 | Confident | 60 Ų | 60 | 115.5 Ų | 115.5 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.3 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1176 E1177 K1183 K1184 | E1176-A1180 WeakPolarHBondContact O-CB 3.42Å; E1176-A1180 PolarHBondContact O-N 2.88Å; E1177-A1180 PolarHBondContact O-N 2.7Å; A1180-K1183 PolarHBondContact O-N 2.66Å; A1180-K1184 WeakPolarHBondContact O-CB 3.39Å; A1180-K1184 PolarHBondContact O-N 3.47Å |
| 1181 | Q | 75.1 | Confident | 70.6 | Confident | 138 Ų | 138 | 111.4 Ų | 111.4 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68 | -47.1 | 171.8 | -97 | 166.3 | -15.1 | 0 | 0 | 111.9 | E1177 K1183 K1184 T1185 | E1177-Q1181 WeakPolarHBondContact O-CB 3.38Å; E1177-Q1181 PolarHBondContact O-N 2.81Å; Q1181-K1183 VanDerWaalsContact C-N 3.3Å; Q1181-K1183 PolarHBondContact O-N 2.79Å; Q1181-K1184 CarbonylContact O-C 3.45Å; Q1181-K1184 WeakPolarHBondContact O-CA 3.33Å; Q1181-K1184 WeakPolarHBondContact O-CB 3.45Å; Q1181-K1184 PolarHBondContact O-N 2.7Å; Q1181-T1185 PolarHBondContact O-N 2.9Å; Q1181-T1185 PolarHBondContact O-OG1 3.28Å |
| 1182 | L | 66.3 | Low | 71.3 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.9 | -34.4 | 172.8 | -91.8 | 147.6 | 0 | 0 | 0 | 111.8 | E1178 T1185 L1186 | E1178-L1182 WeakPolarHBondContact O-CA 3.17Å; E1178-L1182 WeakPolarHBondContact O-CB 3.48Å; E1178-L1182 WeakPolarHBondContact O-CD1 3.28Å; E1178-L1182 PolarHBondContact O-N 2.66Å; L1182-T1185 WeakPolarHBondContact CA-OG1 3.32Å; L1182-L1186 WeakPolarHBondContact O-CA 3.32Å; L1182-L1186 WeakPolarHBondContact O-CB 3.28Å; L1182-L1186 PolarHBondContact O-N 2.93Å |
| 1183 | K | 72.5 | Confident | 71.9 | Confident | 131 Ų | 131 | 112.3 Ų | 112.3 | 57% | 0.57 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.6 | -37.2 | 171.5 | -87.3 | -179.9 | 175 | -176 | 0 | 111.6 | L1179 A1180 Q1181 L1186 E1187 | L1179-K1183 WeakPolarHBondContact O-CA 3.4Å; L1179-K1183 WeakPolarHBondContact O-CB 3.26Å; L1179-K1183 WeakPolarHBondContact O-CG 3.33Å; L1179-K1183 PolarHBondContact O-N 2.81Å; A1180-K1183 PolarHBondContact O-N 2.66Å; Q1181-K1183 VanDerWaalsContact C-N 3.3Å; Q1181-K1183 PolarHBondContact O-N 2.79Å; K1183-L1186 CarbonylContact O-C 3.49Å; K1183-L1186 PolarHBondContact O-N 3.41Å; K1183-E1187 VanDerWaalsContact O-CB 3.3Å; K1183-E1187 WeakPolarHBondContact O-CB 3.47Å; K1183-E1187 WeakPolarHBondContact O-CG 3.5Å; K1183-E1187 PolarHBondContact O-N 3.3Å |
| 1184 | K | 76.8 | Confident | 72 | Confident | 125 Ų | 125 | 114.6 Ų | 114.6 | 54% | 0.543 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.1 | -42.7 | 175.9 | -167.4 | -178.6 | 177.3 | -173.6 | 0 | 112.1 | A1180 Q1181 L1186 E1187 E1188 | A1180-K1184 WeakPolarHBondContact O-CB 3.39Å; A1180-K1184 PolarHBondContact O-N 3.47Å; Q1181-K1184 CarbonylContact O-C 3.45Å; Q1181-K1184 WeakPolarHBondContact O-CA 3.33Å; Q1181-K1184 WeakPolarHBondContact O-CB 3.45Å; Q1181-K1184 PolarHBondContact O-N 2.7Å; K1184-L1186 VanDerWaalsContact C-N 3.33Å; K1184-E1187 PolarHBondContact O-N 2.94Å; K1184-E1188 WeakPolarHBondContact O-CB 3.27Å; K1184-E1188 WeakPolarHBondContact O-CG 3.35Å; K1184-E1188 PolarHBondContact O-N 3.01Å |
| 1185 | T | 74.8 | Confident | 72.2 | Confident | 73 Ų | 73 | 113.9 Ų | 113.9 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.2 | -31.7 | 171.7 | 18.4 | 0 | 0 | 0 | 0 | 112 | Q1181 L1182 E1189 | Q1181-T1185 PolarHBondContact O-N 2.9Å; Q1181-T1185 PolarHBondContact O-OG1 3.28Å; L1182-T1185 WeakPolarHBondContact CA-OG1 3.32Å; T1185-E1189 VanDerWaalsContact O-CB 3.25Å; T1185-E1189 WeakPolarHBondContact O-CB 3.44Å; T1185-E1189 WeakPolarHBondContact O-CG 3.41Å; T1185-E1189 PolarHBondContact O-N 2.94Å |
| 1186 | L | 70.4 | Confident | 72.6 | Confident | 104 Ų | 104 | 111.9 Ų | 111.9 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.6 | -39 | 171.9 | -166.1 | 77.8 | 0 | 0 | 0 | 110.1 | L1182 K1183 K1184 E1189 T1190 | L1182-L1186 WeakPolarHBondContact O-CA 3.32Å; L1182-L1186 WeakPolarHBondContact O-CB 3.28Å; L1182-L1186 PolarHBondContact O-N 2.93Å; K1183-L1186 CarbonylContact O-C 3.49Å; K1183-L1186 PolarHBondContact O-N 3.41Å; K1184-L1186 VanDerWaalsContact C-N 3.33Å; L1186-E1189 PolarHBondContact O-N 2.9Å; L1186-T1190 WeakPolarHBondContact O-CA 3.15Å; L1186-T1190 WeakPolarHBondContact O-CB 3.2Å; L1186-T1190 PolarHBondContact O-N 3.3Å; L1186-T1190 PolarHBondContact O-OG1 2.91Å |
| 1187 | E | 74.4 | Confident | 72.8 | Confident | 137 Ų | 137 | 109.7 Ų | 109.7 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 172.9 | -82.7 | 173.9 | 178.2 | 0 | 0 | 111.7 | K1183 K1184 T1190 S1191 | K1183-E1187 VanDerWaalsContact O-CB 3.3Å; K1183-E1187 WeakPolarHBondContact O-CB 3.47Å; K1183-E1187 WeakPolarHBondContact O-CG 3.5Å; K1183-E1187 PolarHBondContact O-N 3.3Å; K1184-E1187 PolarHBondContact O-N 2.94Å; E1187-T1190 PolarHBondContact O-N 3.07Å; E1187-S1191 VanDerWaalsContact O-CB 3.25Å; E1187-S1191 WeakPolarHBondContact O-CB 2.96Å; E1187-S1191 PolarHBondContact O-N 2.81Å |
| 1188 | E | 75.7 | Confident | 72.8 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.2 | -43.2 | 173.5 | -75.1 | 173.4 | -172.8 | 0 | 0 | 111.5 | K1184 T1190 S1191 V1192 | K1184-E1188 WeakPolarHBondContact O-CB 3.27Å; K1184-E1188 WeakPolarHBondContact O-CG 3.35Å; K1184-E1188 PolarHBondContact O-N 3.01Å; E1188-T1190 VanDerWaalsContact C-N 3.34Å; E1188-S1191 PolarHBondContact O-N 3.33Å; E1188-V1192 WeakPolarHBondContact O-CB 3.49Å; E1188-V1192 VanDerWaalsContact O-CG2 3.28Å; E1188-V1192 WeakPolarHBondContact O-CG2 3.24Å; E1188-V1192 PolarHBondContact O-N 3.22Å |
| 1189 | E | 71.9 | Confident | 72.8 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.3 | -33.1 | 172 | -83.5 | -163 | 157.9 | 0 | 0 | 111.8 | T1185 L1186 V1192 R1193 | T1185-E1189 VanDerWaalsContact O-CB 3.25Å; T1185-E1189 WeakPolarHBondContact O-CB 3.44Å; T1185-E1189 WeakPolarHBondContact O-CG 3.41Å; T1185-E1189 PolarHBondContact O-N 2.94Å; L1186-E1189 PolarHBondContact O-N 2.9Å; E1189-V1192 PolarHBondContact O-N 3.27Å; E1189-R1193 WeakPolarHBondContact O-CA 2.88Å; E1189-R1193 WeakPolarHBondContact O-CB 2.95Å; E1189-R1193 PolarHBondContact O-N 2.77Å |
| 1190 | T | 71.1 | Confident | 72.9 | Confident | 60 Ų | 60 | 105.2 Ų | 105.2 | 37% | 0.368 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.5 | -37.2 | 176.5 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | L1186 E1187 E1188 R1193 E1194 | L1186-T1190 WeakPolarHBondContact O-CA 3.15Å; L1186-T1190 WeakPolarHBondContact O-CB 3.2Å; L1186-T1190 PolarHBondContact O-N 3.3Å; L1186-T1190 PolarHBondContact O-OG1 2.91Å; E1187-T1190 PolarHBondContact O-N 3.07Å; E1188-T1190 VanDerWaalsContact C-N 3.34Å; T1190-R1193 CarbonylContact O-C 3.37Å; T1190-R1193 PolarHBondContact O-N 3.4Å; T1190-E1194 HydrophobicContact CG2-CG 4.48Å; T1190-E1194 WeakPolarHBondContact O-CA 3.48Å; T1190-E1194 WeakPolarHBondContact O-CB 3.34Å; T1190-E1194 VanDerWaalsContact O-CG 3.28Å; T1190-E1194 WeakPolarHBondContact O-CG 3.06Å; T1190-E1194 PolarHBondContact O-N 3.11Å |
| 1191 | S | 76.2 | Confident | 72.9 | Confident | 63 Ų | 63 | 108.7 Ų | 108.7 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 170.7 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | E1187 E1188 E1194 Q1195 | E1187-S1191 VanDerWaalsContact O-CB 3.25Å; E1187-S1191 WeakPolarHBondContact O-CB 2.96Å; E1187-S1191 PolarHBondContact O-N 2.81Å; E1188-S1191 PolarHBondContact O-N 3.33Å; S1191-E1194 PolarHBondContact O-N 3.21Å; S1191-Q1195 WeakPolarHBondContact O-CB 3.48Å; S1191-Q1195 PolarHBondContact O-N 3.34Å |
| 1192 | V | 74.4 | Confident | 72.9 | Confident | 85 Ų | 85 | 107.1 Ų | 107.1 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | E1188 E1189 Q1195 L1196 | E1188-V1192 WeakPolarHBondContact O-CB 3.49Å; E1188-V1192 VanDerWaalsContact O-CG2 3.28Å; E1188-V1192 WeakPolarHBondContact O-CG2 3.24Å; E1188-V1192 PolarHBondContact O-N 3.22Å; E1189-V1192 PolarHBondContact O-N 3.27Å; V1192-Q1195 CarbonylContact O-C 3.37Å; V1192-Q1195 PolarHBondContact O-N 2.65Å; V1192-L1196 WeakPolarHBondContact O-CB 3.3Å; V1192-L1196 PolarHBondContact O-N 2.85Å |
| 1193 | R | 71.7 | Confident | 73.1 | Confident | 181 Ų | 181 | 108.9 Ų | 108.9 | 68% | 0.683 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.1 | -32.1 | 177 | -162.8 | 175.4 | -169.2 | 178.1 | 3.1 | 111.4 | E1189 T1190 L1196 I1197 | E1189-R1193 WeakPolarHBondContact O-CA 2.88Å; E1189-R1193 WeakPolarHBondContact O-CB 2.95Å; E1189-R1193 PolarHBondContact O-N 2.77Å; T1190-R1193 CarbonylContact O-C 3.37Å; T1190-R1193 PolarHBondContact O-N 3.4Å; R1193-L1196 PolarHBondContact O-N 2.86Å; R1193-I1197 HydrophobicContact CG-CD1 4.12Å; R1193-I1197 WeakPolarHBondContact O-CA 3.22Å; R1193-I1197 WeakPolarHBondContact O-CB 3.45Å; R1193-I1197 WeakPolarHBondContact O-CD1 3.25Å; R1193-I1197 WeakPolarHBondContact O-CG1 3.33Å; R1193-I1197 PolarHBondContact O-N 3.06Å |
| 1194 | E | 72.5 | Confident | 72.9 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.6 | -38.8 | 170.5 | -82.3 | -175.4 | 169.3 | 0 | 0 | 111.2 | T1190 S1191 I1197 H1198 | T1190-E1194 HydrophobicContact CG2-CG 4.48Å; T1190-E1194 WeakPolarHBondContact O-CA 3.48Å; T1190-E1194 WeakPolarHBondContact O-CB 3.34Å; T1190-E1194 VanDerWaalsContact O-CG 3.28Å; T1190-E1194 WeakPolarHBondContact O-CG 3.06Å; T1190-E1194 PolarHBondContact O-N 3.11Å; S1191-E1194 PolarHBondContact O-N 3.21Å; E1194-I1197 CarbonylContact O-C 3.59Å; E1194-I1197 PolarHBondContact O-N 3.48Å; E1194-H1198 WeakPolarHBondContact O-CB 2.8Å; E1194-H1198 PolarHBondContact O-N 2.66Å |
| 1195 | Q | 75.6 | Confident | 72.7 | Confident | 126 Ų | 126 | 108.1 Ų | 108.1 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 169.3 | -101.9 | 175.3 | -22.2 | 0 | 0 | 111.9 | S1191 V1192 H1198 D1199 | S1191-Q1195 WeakPolarHBondContact O-CB 3.48Å; S1191-Q1195 PolarHBondContact O-N 3.34Å; V1192-Q1195 CarbonylContact O-C 3.37Å; V1192-Q1195 PolarHBondContact O-N 2.65Å; Q1195-H1198 CarbonylContact O-C 3.54Å; Q1195-H1198 PolarHBondContact O-N 3.43Å; Q1195-D1199 WeakPolarHBondContact O-CB 3.27Å; Q1195-D1199 PolarHBondContact O-N 3.35Å |
| 1196 | L | 70.8 | Confident | 72.8 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.8 | -34.7 | 176.5 | -133.6 | 115.1 | 0 | 0 | 0 | 111.3 | V1192 R1193 T1200 | V1192-L1196 WeakPolarHBondContact O-CB 3.3Å; V1192-L1196 PolarHBondContact O-N 2.85Å; R1193-L1196 PolarHBondContact O-N 2.86Å; L1196-T1200 VanDerWaalsContact O-CB 3.31Å; L1196-T1200 WeakPolarHBondContact O-CB 3.2Å; L1196-T1200 WeakPolarHBondContact O-CG2 3.29Å; L1196-T1200 PolarHBondContact O-N 3.28Å; L1196-T1200 PolarHBondContact O-OG1 2.95Å |
| 1197 | I | 72.3 | Confident | 72.9 | Confident | 80 Ų | 80 | 109.8 Ų | 109.8 | 41% | 0.41 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.9 | -34.4 | 170.9 | -73.5 | 165.5 | 0 | 0 | 0 | 110.3 | R1193 E1194 T1200 K1201 | R1193-I1197 HydrophobicContact CG-CD1 4.12Å; R1193-I1197 WeakPolarHBondContact O-CA 3.22Å; R1193-I1197 WeakPolarHBondContact O-CB 3.45Å; R1193-I1197 WeakPolarHBondContact O-CD1 3.25Å; R1193-I1197 WeakPolarHBondContact O-CG1 3.33Å; R1193-I1197 PolarHBondContact O-N 3.06Å; E1194-I1197 CarbonylContact O-C 3.59Å; E1194-I1197 PolarHBondContact O-N 3.48Å; I1197-T1200 VanDerWaalsContact CA-OG1 3.25Å; I1197-T1200 WeakPolarHBondContact CA-OG1 3.47Å; I1197-T1200 PolarHBondContact O-OG1 2.84Å; I1197-K1201 HydrophobicContact CG2-CD 4.25Å; I1197-K1201 HydrophobicContact CG2-CG 4.41Å; I1197-K1201 WeakPolarHBondContact O-CA 3.3Å; I1197-K1201 WeakPolarHBondContact O-CB 3.29Å; I1197-K1201 VanDerWaalsContact O-CG 3.24Å; I1197-K1201 WeakPolarHBondContact O-CG 3.28Å; I1197-K1201 PolarHBondContact O-N 3.37Å |
| 1198 | H | 75.8 | Confident | 72.7 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72 | -42.3 | 175.5 | -166.3 | 70.9 | 0 | 0 | 0 | 111.1 | E1194 Q1195 K1201 Q1202 | E1194-H1198 WeakPolarHBondContact O-CB 2.8Å; E1194-H1198 PolarHBondContact O-N 2.66Å; Q1195-H1198 CarbonylContact O-C 3.54Å; Q1195-H1198 PolarHBondContact O-N 3.43Å; H1198-K1201 CarbonylContact O-C 3.58Å; H1198-K1201 PolarHBondContact O-N 3.16Å; H1198-Q1202 WeakPolarHBondContact O-CB 3.26Å; H1198-Q1202 PolarHBondContact O-N 2.87Å |
| 1199 | D | 72.8 | Confident | 72.8 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 175.2 | -79.8 | -1.8 | 0 | 0 | 0 | 111.9 | Q1195 Q1202 K1203 | Q1195-D1199 WeakPolarHBondContact O-CB 3.27Å; Q1195-D1199 PolarHBondContact O-N 3.35Å; D1199-Q1202 PolarHBondContact O-N 3.48Å; D1199-K1203 WeakPolarHBondContact O-CB 3.45Å; D1199-K1203 PolarHBondContact O-N 3.45Å |
| 1200 | T | 66.9 | Low | 72.9 | Confident | 51 Ų | 51 | 105.5 Ų | 105.5 | 31% | 0.313 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 170.1 | 44 | 0 | 0 | 0 | 0 | 111.2 | L1196 I1197 Q1202 K1203 Y1204 | L1196-T1200 VanDerWaalsContact O-CB 3.31Å; L1196-T1200 WeakPolarHBondContact O-CB 3.2Å; L1196-T1200 WeakPolarHBondContact O-CG2 3.29Å; L1196-T1200 PolarHBondContact O-N 3.28Å; L1196-T1200 PolarHBondContact O-OG1 2.95Å; I1197-T1200 VanDerWaalsContact CA-OG1 3.25Å; I1197-T1200 WeakPolarHBondContact CA-OG1 3.47Å; I1197-T1200 PolarHBondContact O-OG1 2.84Å; T1200-Q1202 VanDerWaalsContact C-N 3.33Å; T1200-Q1202 PolarHBondContact O-N 3.25Å; T1200-K1203 PolarHBondContact O-N 2.95Å; T1200-Y1204 HydrophobicContact CG2-CE2 4.5Å; T1200-Y1204 WeakPolarHBondContact O-CB 3.48Å; T1200-Y1204 WeakPolarHBondContact O-CD2 3.46Å; T1200-Y1204 VanDerWaalsContact O-CG 3.29Å; T1200-Y1204 PolarHBondContact O-N 3.45Å |
| 1201 | K | 72.2 | Confident | 72.8 | Confident | 133 Ų | 133 | 107.3 Ų | 107.3 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -37 | 170.4 | -87.1 | -178.6 | 173.4 | 179.6 | 0 | 111.9 | I1197 H1198 Y1204 L1205 | I1197-K1201 HydrophobicContact CG2-CD 4.25Å; I1197-K1201 HydrophobicContact CG2-CG 4.41Å; I1197-K1201 WeakPolarHBondContact O-CA 3.3Å; I1197-K1201 WeakPolarHBondContact O-CB 3.29Å; I1197-K1201 VanDerWaalsContact O-CG 3.24Å; I1197-K1201 WeakPolarHBondContact O-CG 3.28Å; I1197-K1201 PolarHBondContact O-N 3.37Å; H1198-K1201 CarbonylContact O-C 3.58Å; H1198-K1201 PolarHBondContact O-N 3.16Å; K1201-Y1204 CarbonylContact O-C 3.52Å; K1201-L1205 VanDerWaalsContact O-CB 3.22Å; K1201-L1205 WeakPolarHBondContact O-CB 3.32Å; K1201-L1205 PolarHBondContact O-N 2.82Å |
| 1202 | Q | 75 | Confident | 72.7 | Confident | 106 Ų | 106 | 107.6 Ų | 107.6 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 174.2 | -107.8 | -169.8 | -5.7 | 0 | 0 | 111.3 | H1198 D1199 T1200 Y1204 L1205 I1206 | H1198-Q1202 WeakPolarHBondContact O-CB 3.26Å; H1198-Q1202 PolarHBondContact O-N 2.87Å; D1199-Q1202 PolarHBondContact O-N 3.48Å; T1200-Q1202 VanDerWaalsContact C-N 3.33Å; T1200-Q1202 PolarHBondContact O-N 3.25Å; Q1202-Y1204 VanDerWaalsContact C-N 3.32Å; Q1202-Y1204 PolarHBondContact O-N 2.85Å; Q1202-L1205 PolarHBondContact O-N 2.79Å; Q1202-I1206 WeakPolarHBondContact O-CB 3.34Å; Q1202-I1206 VanDerWaalsContact O-CG1 3.3Å; Q1202-I1206 WeakPolarHBondContact O-CG1 3.07Å; Q1202-I1206 PolarHBondContact O-N 3.19Å |
| 1203 | K | 71.6 | Confident | 72.8 | Confident | 149 Ų | 149 | 109 Ų | 109 | 65% | 0.648 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -38.7 | 172.5 | -85.5 | -177.6 | 176.2 | 175 | 0 | 112.1 | D1199 T1200 Q1207 | D1199-K1203 WeakPolarHBondContact O-CB 3.45Å; D1199-K1203 PolarHBondContact O-N 3.45Å; T1200-K1203 PolarHBondContact O-N 2.95Å; K1203-Q1207 VanDerWaalsContact O-CB 3.25Å; K1203-Q1207 WeakPolarHBondContact O-CB 3.35Å; K1203-Q1207 WeakPolarHBondContact O-CG 3.4Å; K1203-Q1207 PolarHBondContact O-N 2.59Å |
| 1204 | Y | 69.3 | Low | 72.7 | Confident | 139 Ų | 139 | 105.2 Ų | 105.2 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.1 | -31 | 174.8 | -73 | -52.6 | 0 | 0 | 0 | 111.6 | T1200 K1201 Q1202 Q1207 I1208 | T1200-Y1204 HydrophobicContact CG2-CE2 4.5Å; T1200-Y1204 WeakPolarHBondContact O-CB 3.48Å; T1200-Y1204 WeakPolarHBondContact O-CD2 3.46Å; T1200-Y1204 VanDerWaalsContact O-CG 3.29Å; T1200-Y1204 PolarHBondContact O-N 3.45Å; K1201-Y1204 CarbonylContact O-C 3.52Å; Q1202-Y1204 VanDerWaalsContact C-N 3.32Å; Q1202-Y1204 PolarHBondContact O-N 2.85Å; Y1204-Q1207 PolarHBondContact O-N 2.78Å; Y1204-I1208 WeakPolarHBondContact O-CA 3.17Å; Y1204-I1208 WeakPolarHBondContact O-CB 3.26Å; Y1204-I1208 VanDerWaalsContact O-CD1 3.3Å; Y1204-I1208 WeakPolarHBondContact O-CD1 3.12Å; Y1204-I1208 WeakPolarHBondContact O-CG1 3.31Å; Y1204-I1208 PolarHBondContact O-N 2.8Å |
| 1205 | L | 71.7 | Confident | 72.4 | Confident | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 171 | -104.4 | 145.2 | 0 | 0 | 0 | 111.2 | K1201 Q1202 I1208 E1209 | K1201-L1205 VanDerWaalsContact O-CB 3.22Å; K1201-L1205 WeakPolarHBondContact O-CB 3.32Å; K1201-L1205 PolarHBondContact O-N 2.82Å; Q1202-L1205 PolarHBondContact O-N 2.79Å; L1205-I1208 CarbonylContact O-C 3.6Å; L1205-I1208 PolarHBondContact O-N 3.07Å; L1205-E1209 WeakPolarHBondContact O-CB 3.38Å; L1205-E1209 PolarHBondContact O-N 3.34Å |
| 1206 | I | 77.6 | Confident | 72.4 | Confident | 109 Ų | 109 | 103.2 Ų | 103.2 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.6 | -38.5 | 174.3 | -66.2 | 166.9 | 0 | 0 | 0 | 110.7 | Q1202 E1209 S1210 | Q1202-I1206 WeakPolarHBondContact O-CB 3.34Å; Q1202-I1206 VanDerWaalsContact O-CG1 3.3Å; Q1202-I1206 WeakPolarHBondContact O-CG1 3.07Å; Q1202-I1206 PolarHBondContact O-N 3.19Å; I1206-E1209 PolarHBondContact O-N 3.43Å; I1206-S1210 WeakPolarHBondContact O-CB 3.31Å; I1206-S1210 PolarHBondContact O-N 3.3Å |
| 1207 | Q | 71.7 | Confident | 72.5 | Confident | 103 Ų | 103 | 104.7 Ų | 104.7 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 172.2 | -84.8 | -176.1 | -18.7 | 0 | 0 | 111.5 | K1203 Y1204 S1210 L1211 | K1203-Q1207 VanDerWaalsContact O-CB 3.25Å; K1203-Q1207 WeakPolarHBondContact O-CB 3.35Å; K1203-Q1207 WeakPolarHBondContact O-CG 3.4Å; K1203-Q1207 PolarHBondContact O-N 2.59Å; Y1204-Q1207 PolarHBondContact O-N 2.78Å; Q1207-S1210 PolarHBondContact O-N 3.39Å; Q1207-S1210 PolarHBondContact O-OG 3.25Å; Q1207-L1211 WeakPolarHBondContact O-CB 3.46Å; Q1207-L1211 WeakPolarHBondContact O-CG 3.15Å; Q1207-L1211 PolarHBondContact O-N 3.08Å |
| 1208 | I | 70.4 | Confident | 72.4 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 173.9 | -75.3 | 163.2 | 0 | 0 | 0 | 109.2 | Y1204 L1205 L1211 T1212 | Y1204-I1208 WeakPolarHBondContact O-CA 3.17Å; Y1204-I1208 WeakPolarHBondContact O-CB 3.26Å; Y1204-I1208 VanDerWaalsContact O-CD1 3.3Å; Y1204-I1208 WeakPolarHBondContact O-CD1 3.12Å; Y1204-I1208 WeakPolarHBondContact O-CG1 3.31Å; Y1204-I1208 PolarHBondContact O-N 2.8Å; L1205-I1208 CarbonylContact O-C 3.6Å; L1205-I1208 PolarHBondContact O-N 3.07Å; I1208-L1211 CarbonylContact O-C 3.57Å; I1208-L1211 PolarHBondContact O-N 3.35Å; I1208-T1212 WeakPolarHBondContact O-CA 3.3Å; I1208-T1212 VanDerWaalsContact O-CB 3.26Å; I1208-T1212 WeakPolarHBondContact O-CB 3.32Å; I1208-T1212 PolarHBondContact O-N 2.87Å; I1208-T1212 PolarHBondContact O-OG1 3.5Å |
| 1209 | E | 76.8 | Confident | 72.1 | Confident | 129 Ų | 129 | 105.5 Ų | 105.5 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 172.9 | -82.2 | -179.1 | 162.1 | 0 | 0 | 111.3 | L1205 I1206 L1211 T1212 D1213 | L1205-E1209 WeakPolarHBondContact O-CB 3.38Å; L1205-E1209 PolarHBondContact O-N 3.34Å; I1206-E1209 PolarHBondContact O-N 3.43Å; E1209-L1211 VanDerWaalsContact C-N 3.34Å; E1209-L1211 PolarHBondContact O-N 2.93Å; E1209-T1212 WeakPolarHBondContact O-CB 3.19Å; E1209-T1212 PolarHBondContact O-N 3.45Å; E1209-T1212 VanDerWaalsContact O-N 3.09Å; E1209-D1213 PolarHBondContact O-N 3.45Å |
| 1210 | S | 75.8 | Confident | 72.2 | Confident | 66 Ų | 66 | 108.2 Ų | 108.2 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -36 | 175.7 | 84.3 | 0 | 0 | 0 | 0 | 112.7 | I1206 Q1207 T1212 L1214 | I1206-S1210 WeakPolarHBondContact O-CB 3.31Å; I1206-S1210 PolarHBondContact O-N 3.3Å; Q1207-S1210 PolarHBondContact O-N 3.39Å; Q1207-S1210 PolarHBondContact O-OG 3.25Å; S1210-T1212 VanDerWaalsContact C-N 3.32Å; S1210-L1214 WeakPolarHBondContact O-CB 3.34Å; S1210-L1214 PolarHBondContact O-N 2.81Å |
| 1211 | L | 67.9 | Low | 72.5 | Confident | 99 Ų | 99 | 108.3 Ų | 108.3 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.1 | -28.5 | 173.5 | -77.3 | 168.5 | 0 | 0 | 0 | 110.2 | Q1207 I1208 E1209 L1214 L1215 | Q1207-L1211 WeakPolarHBondContact O-CB 3.46Å; Q1207-L1211 WeakPolarHBondContact O-CG 3.15Å; Q1207-L1211 PolarHBondContact O-N 3.08Å; I1208-L1211 CarbonylContact O-C 3.57Å; I1208-L1211 PolarHBondContact O-N 3.35Å; E1209-L1211 VanDerWaalsContact C-N 3.34Å; E1209-L1211 PolarHBondContact O-N 2.93Å; L1211-L1214 PolarHBondContact O-N 2.83Å; L1211-L1215 WeakPolarHBondContact O-CA 3.26Å; L1211-L1215 WeakPolarHBondContact O-CB 3.4Å; L1211-L1215 PolarHBondContact O-N 3.2Å |
| 1212 | T | 73.9 | Confident | 72.3 | Confident | 68 Ų | 68 | 107.2 Ų | 107.2 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.2 | -42.3 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | I1208 E1209 S1210 L1215 E1216 | I1208-T1212 WeakPolarHBondContact O-CA 3.3Å; I1208-T1212 VanDerWaalsContact O-CB 3.26Å; I1208-T1212 WeakPolarHBondContact O-CB 3.32Å; I1208-T1212 PolarHBondContact O-N 2.87Å; I1208-T1212 PolarHBondContact O-OG1 3.5Å; E1209-T1212 WeakPolarHBondContact O-CB 3.19Å; E1209-T1212 PolarHBondContact O-N 3.45Å; E1209-T1212 VanDerWaalsContact O-N 3.09Å; S1210-T1212 VanDerWaalsContact C-N 3.32Å; T1212-L1215 CarbonylContact O-C 3.55Å; T1212-L1215 PolarHBondContact O-N 2.81Å; T1212-E1216 WeakPolarHBondContact O-CB 3.48Å; T1212-E1216 PolarHBondContact O-N 3.31Å |
| 1213 | D | 76 | Confident | 72.1 | Confident | 115 Ų | 115 | 108.2 Ų | 108.2 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 170.4 | -90.9 | -13 | 0 | 0 | 0 | 112.3 | E1209 L1215 E1216 Q1217 | E1209-D1213 PolarHBondContact O-N 3.45Å; D1213-L1215 VanDerWaalsContact C-N 3.29Å; D1213-L1215 PolarHBondContact O-N 2.86Å; D1213-E1216 PolarHBondContact O-N 2.82Å; D1213-Q1217 PolarHBondContact O-N 3.3Å |
| 1214 | L | 70.9 | Confident | 72.2 | Confident | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 173.7 | -144.5 | 84.3 | 0 | 0 | 0 | 110.2 | S1210 L1211 Q1217 T1218 | S1210-L1214 WeakPolarHBondContact O-CB 3.34Å; S1210-L1214 PolarHBondContact O-N 2.81Å; L1211-L1214 PolarHBondContact O-N 2.83Å; L1214-Q1217 PolarHBondContact O-N 2.83Å; L1214-T1218 VanDerWaalsContact O-CB 3.28Å; L1214-T1218 WeakPolarHBondContact O-CB 3.41Å; L1214-T1218 PolarHBondContact O-N 3.23Å; L1214-T1218 PolarHBondContact O-OG1 3.44Å |
| 1215 | L | 65.5 | Low | 72.1 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.3 | -26.7 | 179.3 | -160.8 | 156.6 | 0 | 0 | 0 | 111.4 | L1211 T1212 D1213 K1219 | L1211-L1215 WeakPolarHBondContact O-CA 3.26Å; L1211-L1215 WeakPolarHBondContact O-CB 3.4Å; L1211-L1215 PolarHBondContact O-N 3.2Å; T1212-L1215 CarbonylContact O-C 3.55Å; T1212-L1215 PolarHBondContact O-N 2.81Å; D1213-L1215 VanDerWaalsContact C-N 3.29Å; D1213-L1215 PolarHBondContact O-N 2.86Å; L1215-K1219 HydrophobicContact CD2-CD 4.41Å; L1215-K1219 HydrophobicContact CD2-CG 4.49Å; L1215-K1219 WeakPolarHBondContact O-CA 3.41Å; L1215-K1219 WeakPolarHBondContact O-CB 3.49Å; L1215-K1219 WeakPolarHBondContact O-CG 3.48Å; L1215-K1219 PolarHBondContact O-N 2.83Å |
| 1216 | E | 75.3 | Confident | 71.9 | Confident | 109 Ų | 109 | 105.3 Ų | 105.3 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70 | -43.3 | 168.1 | -155 | 95.7 | -146.3 | 0 | 0 | 110.8 | T1212 D1213 K1219 K1220 | T1212-E1216 WeakPolarHBondContact O-CB 3.48Å; T1212-E1216 PolarHBondContact O-N 3.31Å; D1213-E1216 PolarHBondContact O-N 2.82Å; E1216-K1219 WeakPolarHBondContact O-CB 3.21Å; E1216-K1219 PolarHBondContact O-N 3.41Å; E1216-K1220 PolarHBondContact O-N 2.98Å |
| 1217 | Q | 73.9 | Confident | 71.8 | Confident | 139 Ų | 139 | 107.6 Ų | 107.6 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 172 | -79.5 | -171.3 | 0.9 | 0 | 0 | 112.1 | D1213 L1214 K1219 K1220 A1221 | D1213-Q1217 PolarHBondContact O-N 3.3Å; L1214-Q1217 PolarHBondContact O-N 2.83Å; Q1217-K1219 VanDerWaalsContact C-N 3.32Å; Q1217-K1220 PolarHBondContact O-N 3.24Å; Q1217-A1221 PolarHBondContact O-N 2.92Å |
| 1218 | T | 68.7 | Low | 71.8 | Confident | 81 Ų | 81 | 105.8 Ų | 105.8 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.6 | -31.5 | 176.6 | -45.6 | 0 | 0 | 0 | 0 | 109.9 | L1214 A1221 K1222 | L1214-T1218 VanDerWaalsContact O-CB 3.28Å; L1214-T1218 WeakPolarHBondContact O-CB 3.41Å; L1214-T1218 PolarHBondContact O-N 3.23Å; L1214-T1218 PolarHBondContact O-OG1 3.44Å; T1218-A1221 PolarHBondContact O-N 3.21Å; T1218-K1222 WeakPolarHBondContact O-CA 3.36Å; T1218-K1222 WeakPolarHBondContact O-CB 3.48Å; T1218-K1222 PolarHBondContact O-N 2.76Å |
| 1219 | K | 70 | Confident | 71.9 | Confident | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 169.5 | -101.8 | 179.8 | 172 | 175.9 | 0 | 111.9 | L1215 E1216 Q1217 K1222 Q1223 | L1215-K1219 HydrophobicContact CD2-CD 4.41Å; L1215-K1219 HydrophobicContact CD2-CG 4.49Å; L1215-K1219 WeakPolarHBondContact O-CA 3.41Å; L1215-K1219 WeakPolarHBondContact O-CB 3.49Å; L1215-K1219 WeakPolarHBondContact O-CG 3.48Å; L1215-K1219 PolarHBondContact O-N 2.83Å; E1216-K1219 WeakPolarHBondContact O-CB 3.21Å; E1216-K1219 PolarHBondContact O-N 3.41Å; Q1217-K1219 VanDerWaalsContact C-N 3.32Å; K1219-K1222 PolarHBondContact O-N 3.15Å; K1219-Q1223 WeakPolarHBondContact O-CB 3.32Å; K1219-Q1223 PolarHBondContact O-N 2.76Å |
| 1220 | K | 75.9 | Confident | 71.7 | Confident | 149 Ų | 149 | 100.6 Ų | 100.6 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 173.8 | -79.8 | -178.6 | 176.6 | 172.8 | 0 | 111.9 | E1216 Q1217 K1222 Q1223 Q1224 | E1216-K1220 PolarHBondContact O-N 2.98Å; Q1217-K1220 PolarHBondContact O-N 3.24Å; K1220-K1222 VanDerWaalsContact C-N 3.3Å; K1220-K1222 PolarHBondContact O-N 2.81Å; K1220-Q1223 PolarHBondContact O-N 3.29Å; K1220-Q1224 PolarHBondContact O-N 2.73Å |
| 1221 | A | 72 | Confident | 71.7 | Confident | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1217 T1218 Q1224 T1225 | Q1217-A1221 PolarHBondContact O-N 2.92Å; T1218-A1221 PolarHBondContact O-N 3.21Å; A1221-Q1224 PolarHBondContact O-N 3.46Å; A1221-T1225 PolarHBondContact O-N 3.35Å; A1221-T1225 PolarHBondContact O-OG1 3.49Å |
| 1222 | K | 67.8 | Low | 71.8 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 48% | 0.478 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 173.8 | -169 | -176.9 | 178.3 | -168.2 | 0 | 111.4 | T1218 K1219 K1220 Q1224 T1225 E1226 | T1218-K1222 WeakPolarHBondContact O-CA 3.36Å; T1218-K1222 WeakPolarHBondContact O-CB 3.48Å; T1218-K1222 PolarHBondContact O-N 2.76Å; K1219-K1222 PolarHBondContact O-N 3.15Å; K1220-K1222 VanDerWaalsContact C-N 3.3Å; K1220-K1222 PolarHBondContact O-N 2.81Å; K1222-Q1224 VanDerWaalsContact C-N 3.29Å; K1222-Q1224 PolarHBondContact O-N 2.89Å; K1222-T1225 VanDerWaalsContact CA-OG1 3.3Å; K1222-T1225 WeakPolarHBondContact CA-OG1 3.24Å; K1222-T1225 PolarHBondContact O-N 3.38Å; K1222-T1225 PolarHBondContact O-OG1 2.81Å; K1222-E1226 VanDerWaalsContact CE-OE1 3.29Å; K1222-E1226 WeakPolarHBondContact CE-OE1 3.47Å; K1222-E1226 HydrophobicContact CG-CG 4.45Å; K1222-E1226 IonicContact NZ-OE1 3.72Å; K1222-E1226 VanDerWaalsContact O-CB 3.25Å; K1222-E1226 WeakPolarHBondContact O-CB 3.33Å; K1222-E1226 WeakPolarHBondContact O-CG 3.41Å; K1222-E1226 PolarHBondContact O-N 3.44Å |
| 1223 | Q | 71.2 | Confident | 71.7 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -34.6 | 172.4 | -86.8 | -175.2 | -17.9 | 0 | 0 | 112.3 | K1219 K1220 K1227 | K1219-Q1223 WeakPolarHBondContact O-CB 3.32Å; K1219-Q1223 PolarHBondContact O-N 2.76Å; K1220-Q1223 PolarHBondContact O-N 3.29Å; Q1223-K1227 WeakPolarHBondContact O-CG 3.41Å; Q1223-K1227 PolarHBondContact O-N 2.7Å |
| 1224 | Q | 73.5 | Confident | 71.7 | Confident | 145 Ų | 145 | 101.4 Ų | 101.4 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -74 | -37.5 | 177.2 | -156.8 | 164 | 6.1 | 0 | 0 | 111.8 | K1220 A1221 K1222 S1228 | K1220-Q1224 PolarHBondContact O-N 2.73Å; A1221-Q1224 PolarHBondContact O-N 3.46Å; K1222-Q1224 VanDerWaalsContact C-N 3.29Å; K1222-Q1224 PolarHBondContact O-N 2.89Å; Q1224-S1228 PolarHBondContact O-N 2.76Å; Q1224-S1228 VanDerWaalsContact O-N 3.16Å; Q1224-S1228 PolarHBondContact O-OG 3.44Å; Q1224-S1228 VanDerWaalsContact O-OG 3.13Å |
| 1225 | T | 67.9 | Low | 72 | Confident | 89 Ų | 89 | 101.5 Ų | 101.5 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.4 | -29.1 | 172.6 | 43.4 | 0 | 0 | 0 | 0 | 113.5 | A1221 K1222 S1228 K1229 | A1221-T1225 PolarHBondContact O-N 3.35Å; A1221-T1225 PolarHBondContact O-OG1 3.49Å; K1222-T1225 VanDerWaalsContact CA-OG1 3.3Å; K1222-T1225 WeakPolarHBondContact CA-OG1 3.24Å; K1222-T1225 PolarHBondContact O-N 3.38Å; K1222-T1225 PolarHBondContact O-OG1 2.81Å; T1225-S1228 PolarHBondContact O-N 3.42Å; T1225-K1229 WeakPolarHBondContact O-CB 3.2Å; T1225-K1229 PolarHBondContact O-N 2.79Å |
| 1226 | E | 67.3 | Low | 72.2 | Confident | 93 Ų | 93 | 101.8 Ų | 101.8 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 170.3 | -85.1 | 179.5 | 177.9 | 0 | 0 | 111.4 | K1222 K1229 A1230 | K1222-E1226 VanDerWaalsContact CE-OE1 3.29Å; K1222-E1226 WeakPolarHBondContact CE-OE1 3.47Å; K1222-E1226 HydrophobicContact CG-CG 4.45Å; K1222-E1226 IonicContact NZ-OE1 3.72Å; K1222-E1226 VanDerWaalsContact O-CB 3.25Å; K1222-E1226 WeakPolarHBondContact O-CB 3.33Å; K1222-E1226 WeakPolarHBondContact O-CG 3.41Å; K1222-E1226 PolarHBondContact O-N 3.44Å; E1226-K1229 PolarHBondContact O-N 3.36Å; E1226-A1230 WeakPolarHBondContact O-CB 3.46Å; E1226-A1230 PolarHBondContact O-N 2.85Å |
| 1227 | K | 74.8 | Confident | 72.2 | Confident | 158 Ų | 158 | 99.7 Ų | 99.7 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 170.1 | -78.7 | -177.8 | 177.7 | -176.8 | 0 | 112 | Q1223 K1229 A1230 I1231 | Q1223-K1227 WeakPolarHBondContact O-CG 3.41Å; Q1223-K1227 PolarHBondContact O-N 2.7Å; K1227-K1229 VanDerWaalsContact C-N 3.32Å; K1227-K1229 PolarHBondContact O-N 3.14Å; K1227-A1230 PolarHBondContact O-N 3.26Å; K1227-I1231 WeakPolarHBondContact O-CG1 3.42Å; K1227-I1231 PolarHBondContact O-N 2.8Å; K1227-I1231 VanDerWaalsContact O-N 3.17Å |
| 1228 | S | 73 | Confident | 72.3 | Confident | 64 Ų | 64 | 99 Ų | 99 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -33.5 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | Q1224 T1225 L1232 | Q1224-S1228 PolarHBondContact O-N 2.76Å; Q1224-S1228 VanDerWaalsContact O-N 3.16Å; Q1224-S1228 PolarHBondContact O-OG 3.44Å; Q1224-S1228 VanDerWaalsContact O-OG 3.13Å; T1225-S1228 PolarHBondContact O-N 3.42Å; S1228-L1232 WeakPolarHBondContact O-CG 3.38Å; S1228-L1232 PolarHBondContact O-N 3.39Å |
| 1229 | K | 71.2 | Confident | 72.5 | Confident | 58 Ų | 58 | 100.1 Ų | 100.1 | 25% | 0.252 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.2 | -38.2 | 175.7 | -172.4 | 178.2 | 172.6 | -78.3 | 0 | 111.7 | T1225 E1226 K1227 I1231 L1232 E1233 | T1225-K1229 WeakPolarHBondContact O-CB 3.2Å; T1225-K1229 PolarHBondContact O-N 2.79Å; E1226-K1229 PolarHBondContact O-N 3.36Å; K1227-K1229 VanDerWaalsContact C-N 3.32Å; K1227-K1229 PolarHBondContact O-N 3.14Å; K1229-I1231 VanDerWaalsContact C-N 3.33Å; K1229-L1232 CarbonylContact O-C 3.46Å; K1229-L1232 PolarHBondContact O-N 2.76Å; K1229-E1233 VanDerWaalsContact CE-OE1 3.31Å; K1229-E1233 WeakPolarHBondContact CE-OE1 3.47Å; K1229-E1233 HydrophobicContact CG-CG 4.29Å; K1229-E1233 IonicContact NZ-OE1 2.61Å; K1229-E1233 PolarHBondContact NZ-OE1 3.31Å; K1229-E1233 IonicContact NZ-OE2 3.24Å; K1229-E1233 PolarHBondContact NZ-OE2 3.36Å; K1229-E1233 VanDerWaalsContact O-CB 3.26Å; K1229-E1233 WeakPolarHBondContact O-CB 3.4Å; K1229-E1233 WeakPolarHBondContact O-CG 3.48Å; K1229-E1233 PolarHBondContact O-N 3.19Å |
| 1230 | A | 72.2 | Confident | 72.7 | Confident | 57 Ų | 57 | 97.5 Ų | 97.5 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1226 K1227 S1234 | E1226-A1230 WeakPolarHBondContact O-CB 3.46Å; E1226-A1230 PolarHBondContact O-N 2.85Å; K1227-A1230 PolarHBondContact O-N 3.26Å; A1230-S1234 WeakPolarHBondContact O-CB 3.36Å; A1230-S1234 PolarHBondContact O-N 3.42Å |
| 1231 | I | 76.6 | Confident | 72.7 | Confident | 107 Ų | 107 | 94.9 Ų | 94.9 | 55% | 0.549 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 172.5 | -65.7 | 167.4 | 0 | 0 | 0 | 110.4 | K1227 K1229 E1233 S1234 E1235 | K1227-I1231 WeakPolarHBondContact O-CG1 3.42Å; K1227-I1231 PolarHBondContact O-N 2.8Å; K1227-I1231 VanDerWaalsContact O-N 3.17Å; K1229-I1231 VanDerWaalsContact C-N 3.33Å; I1231-E1233 VanDerWaalsContact C-N 3.34Å; I1231-E1233 PolarHBondContact O-N 2.78Å; I1231-S1234 WeakPolarHBondContact O-CB 3.49Å; I1231-S1234 PolarHBondContact O-N 3.28Å; I1231-E1235 PolarHBondContact O-N 3.36Å |
| 1232 | L | 70.1 | Confident | 72.8 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -29.2 | 177.5 | -74.2 | 168.7 | 0 | 0 | 0 | 113.4 | S1228 K1229 N1236 | S1228-L1232 WeakPolarHBondContact O-CG 3.38Å; S1228-L1232 PolarHBondContact O-N 3.39Å; K1229-L1232 CarbonylContact O-C 3.46Å; K1229-L1232 PolarHBondContact O-N 2.76Å; L1232-N1236 WeakPolarHBondContact O-CB 2.93Å; L1232-N1236 PolarHBondContact O-N 3.45Å |
| 1233 | E | 72.1 | Confident | 72.9 | Confident | 87 Ų | 87 | 97.9 Ų | 97.9 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -77.6 | -32.5 | 175.1 | -78.1 | 178.3 | 153.5 | 0 | 0 | 111.7 | K1229 I1231 N1236 S1237 | K1229-E1233 VanDerWaalsContact CE-OE1 3.31Å; K1229-E1233 WeakPolarHBondContact CE-OE1 3.47Å; K1229-E1233 HydrophobicContact CG-CG 4.29Å; K1229-E1233 IonicContact NZ-OE1 2.61Å; K1229-E1233 PolarHBondContact NZ-OE1 3.31Å; K1229-E1233 IonicContact NZ-OE2 3.24Å; K1229-E1233 PolarHBondContact NZ-OE2 3.36Å; K1229-E1233 VanDerWaalsContact O-CB 3.26Å; K1229-E1233 WeakPolarHBondContact O-CB 3.4Å; K1229-E1233 WeakPolarHBondContact O-CG 3.48Å; K1229-E1233 PolarHBondContact O-N 3.19Å; I1231-E1233 VanDerWaalsContact C-N 3.34Å; I1231-E1233 PolarHBondContact O-N 2.78Å; E1233-N1236 PolarHBondContact O-N 3.34Å; E1233-S1237 VanDerWaalsContact O-CB 3.25Å; E1233-S1237 WeakPolarHBondContact O-CB 3.47Å; E1233-S1237 PolarHBondContact O-N 2.72Å |
| 1234 | S | 76.5 | Confident | 73 | Confident | 64 Ų | 64 | 97 Ų | 97 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 166.1 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | A1230 I1231 N1236 S1237 E1238 | A1230-S1234 WeakPolarHBondContact O-CB 3.36Å; A1230-S1234 PolarHBondContact O-N 3.42Å; I1231-S1234 WeakPolarHBondContact O-CB 3.49Å; I1231-S1234 PolarHBondContact O-N 3.28Å; S1234-N1236 VanDerWaalsContact C-N 3.33Å; S1234-N1236 PolarHBondContact O-N 3.41Å; S1234-S1237 WeakPolarHBondContact O-CB 3.35Å; S1234-S1237 PolarHBondContact O-N 3.4Å; S1234-E1238 PolarHBondContact O-N 2.71Å |
| 1235 | E | 75.9 | Confident | 73 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 176 | -74.4 | -179.8 | 165.2 | 0 | 0 | 112 | I1231 L1239 | I1231-E1235 PolarHBondContact O-N 3.36Å; E1235-L1239 WeakPolarHBondContact O-CB 3.4Å; E1235-L1239 WeakPolarHBondContact O-CD1 3.43Å; E1235-L1239 WeakPolarHBondContact O-CG 3.48Å; E1235-L1239 PolarHBondContact O-N 2.73Å |
| 1236 | N | 69.4 | Low | 73.2 | Confident | 111 Ų | 111 | 93.2 Ų | 93.2 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.1 | -30.8 | 174.8 | -118.5 | -11.7 | 0 | 0 | 0 | 113 | L1232 E1233 S1234 S1240 | L1232-N1236 WeakPolarHBondContact O-CB 2.93Å; L1232-N1236 PolarHBondContact O-N 3.45Å; E1233-N1236 PolarHBondContact O-N 3.34Å; S1234-N1236 VanDerWaalsContact C-N 3.33Å; S1234-N1236 PolarHBondContact O-N 3.41Å; N1236-S1240 WeakPolarHBondContact O-CB 3.49Å; N1236-S1240 PolarHBondContact O-N 3.39Å |
| 1237 | S | 75.9 | Confident | 73.3 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 173.5 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | E1233 S1234 S1240 N1241 | E1233-S1237 VanDerWaalsContact O-CB 3.25Å; E1233-S1237 WeakPolarHBondContact O-CB 3.47Å; E1233-S1237 PolarHBondContact O-N 2.72Å; S1234-S1237 WeakPolarHBondContact O-CB 3.35Å; S1234-S1237 PolarHBondContact O-N 3.4Å; S1237-S1240 PolarHBondContact O-N 2.78Å; S1237-N1241 WeakPolarHBondContact O-CB 3.4Å; S1237-N1241 PolarHBondContact O-N 2.71Å |
| 1238 | E | 76.6 | Confident | 73.2 | Confident | 125 Ų | 125 | 89.8 Ų | 89.8 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -46.6 | 172.4 | -73.3 | -177 | 168 | 0 | 0 | 110.9 | S1234 S1240 N1241 D1242 | S1234-E1238 PolarHBondContact O-N 2.71Å; E1238-S1240 VanDerWaalsContact C-N 3.27Å; E1238-S1240 PolarHBondContact O-N 2.82Å; E1238-N1241 PolarHBondContact O-N 2.71Å; E1238-D1242 WeakPolarHBondContact O-CB 3.25Å; E1238-D1242 PolarHBondContact O-N 3.45Å |
| 1239 | L | 73.4 | Confident | 73.1 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -30.1 | 174.2 | -82.8 | 160.3 | 0 | 0 | 0 | 113.2 | E1235 L1243 | E1235-L1239 WeakPolarHBondContact O-CB 3.4Å; E1235-L1239 WeakPolarHBondContact O-CD1 3.43Å; E1235-L1239 WeakPolarHBondContact O-CG 3.48Å; E1235-L1239 PolarHBondContact O-N 2.73Å; L1239-L1243 WeakPolarHBondContact O-CB 3.47Å; L1239-L1243 PolarHBondContact O-N 3.48Å |
| 1240 | S | 74.2 | Confident | 72.9 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -80.9 | -34.4 | 178 | -163.9 | 0 | 0 | 0 | 0 | 112.7 | N1236 S1237 E1238 D1242 L1243 L1244 | N1236-S1240 WeakPolarHBondContact O-CB 3.49Å; N1236-S1240 PolarHBondContact O-N 3.39Å; S1237-S1240 PolarHBondContact O-N 2.78Å; E1238-S1240 VanDerWaalsContact C-N 3.27Å; E1238-S1240 PolarHBondContact O-N 2.82Å; S1240-D1242 VanDerWaalsContact C-N 3.35Å; S1240-L1243 PolarHBondContact O-N 2.9Å; S1240-L1244 PolarHBondContact O-N 3.02Å |
| 1241 | N | 74.9 | Confident | 72.6 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | 168.6 | -89 | -25.6 | 0 | 0 | 0 | 111 | S1237 E1238 L1243 L1244 N1245 | S1237-N1241 WeakPolarHBondContact O-CB 3.4Å; S1237-N1241 PolarHBondContact O-N 2.71Å; E1238-N1241 PolarHBondContact O-N 2.71Å; N1241-L1243 VanDerWaalsContact C-N 3.31Å; N1241-L1243 PolarHBondContact O-N 3.5Å; N1241-L1244 PolarHBondContact O-N 3.34Å; N1241-N1245 WeakPolarHBondContact O-CB 3.38Å; N1241-N1245 PolarHBondContact O-N 3.29Å; N1241-N1245 PolarHBondContact O-ND2 2.88Å |
| 1242 | D | 75.3 | Confident | 72.1 | Confident | 105 Ų | 105 | 99.8 Ų | 99.8 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -35.1 | 170.5 | -76.5 | -13.6 | 0 | 0 | 0 | 111.6 | E1238 S1240 A1246 | E1238-D1242 WeakPolarHBondContact O-CB 3.25Å; E1238-D1242 PolarHBondContact O-N 3.45Å; S1240-D1242 VanDerWaalsContact C-N 3.35Å; D1242-A1246 WeakPolarHBondContact O-CB 3.18Å; D1242-A1246 PolarHBondContact O-N 3.42Å |
| 1243 | L | 68.2 | Low | 71.8 | Confident | 121 Ų | 121 | 97 Ų | 97 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.4 | -34 | 172.2 | -111.1 | 157.8 | 0 | 0 | 0 | 113.1 | L1239 S1240 N1241 A1246 H1247 | L1239-L1243 WeakPolarHBondContact O-CB 3.47Å; L1239-L1243 PolarHBondContact O-N 3.48Å; S1240-L1243 PolarHBondContact O-N 2.9Å; N1241-L1243 VanDerWaalsContact C-N 3.31Å; N1241-L1243 PolarHBondContact O-N 3.5Å; L1243-A1246 CarbonylContact O-C 3.57Å; L1243-H1247 VanDerWaalsContact O-CB 3.28Å; L1243-H1247 WeakPolarHBondContact O-CB 3.29Å; L1243-H1247 PolarHBondContact O-N 2.89Å |
| 1244 | L | 73.9 | Confident | 71.1 | Confident | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.5 | -43 | 176.3 | -164.9 | 78.1 | 0 | 0 | 0 | 111.1 | S1240 N1241 A1246 H1247 T1248 | S1240-L1244 PolarHBondContact O-N 3.02Å; N1241-L1244 PolarHBondContact O-N 3.34Å; L1244-A1246 VanDerWaalsContact C-N 3.31Å; L1244-H1247 PolarHBondContact O-N 2.89Å; L1244-T1248 PolarHBondContact O-N 3.15Å; L1244-T1248 PolarHBondContact O-OG1 2.79Å; L1244-T1248 VanDerWaalsContact O-OG1 3.08Å |
| 1245 | N | 74.1 | Confident | 70.4 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 170.9 | -74.9 | -24.4 | 0 | 0 | 0 | 111.3 | N1241 H1247 T1248 A1249 | N1241-N1245 WeakPolarHBondContact O-CB 3.38Å; N1241-N1245 PolarHBondContact O-N 3.29Å; N1241-N1245 PolarHBondContact O-ND2 2.88Å; N1245-H1247 VanDerWaalsContact C-N 3.33Å; N1245-T1248 WeakPolarHBondContact CA-OG1 3.45Å; N1245-T1248 PolarHBondContact O-OG1 3.37Å; N1245-T1248 VanDerWaalsContact O-OG1 3.13Å; N1245-A1249 WeakPolarHBondContact O-CB 3.47Å; N1245-A1249 PolarHBondContact O-N 3.45Å |
| 1246 | A | 70.9 | Confident | 69.9 | Low | 53 Ų | 53 | 105.8 Ų | 105.8 | 44% | 0.438 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -31.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1242 L1243 L1244 R1250 | D1242-A1246 WeakPolarHBondContact O-CB 3.18Å; D1242-A1246 PolarHBondContact O-N 3.42Å; L1243-A1246 CarbonylContact O-C 3.57Å; L1244-A1246 VanDerWaalsContact C-N 3.31Å; A1246-R1250 WeakPolarHBondContact O-CA 3.29Å; A1246-R1250 WeakPolarHBondContact O-CB 3.49Å; A1246-R1250 PolarHBondContact O-N 3.43Å |
| 1247 | H | 70.8 | Confident | 69.1 | Low | 106 Ų | 106 | 106.5 Ų | 106.5 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.8 | -36.5 | 178.5 | -160.1 | -28 | 0 | 0 | 0 | 112.7 | L1243 L1244 N1245 R1250 Q1251 | L1243-H1247 VanDerWaalsContact O-CB 3.28Å; L1243-H1247 WeakPolarHBondContact O-CB 3.29Å; L1243-H1247 PolarHBondContact O-N 2.89Å; L1244-H1247 PolarHBondContact O-N 2.89Å; N1245-H1247 VanDerWaalsContact C-N 3.33Å; H1247-R1250 PolarHBondContact O-N 2.98Å; H1247-Q1251 PolarHBondContact O-N 3.11Å |
| 1248 | T | 72.1 | Confident | 68.3 | Low | 74 Ų | 74 | 111.4 Ų | 111.4 | 45% | 0.454 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.2 | -42 | 171.5 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | L1244 N1245 R1250 Q1251 E1252 | L1244-T1248 PolarHBondContact O-N 3.15Å; L1244-T1248 PolarHBondContact O-OG1 2.79Å; L1244-T1248 VanDerWaalsContact O-OG1 3.08Å; N1245-T1248 WeakPolarHBondContact CA-OG1 3.45Å; N1245-T1248 PolarHBondContact O-OG1 3.37Å; N1245-T1248 VanDerWaalsContact O-OG1 3.13Å; T1248-R1250 PolarHBondContact O-N 3.4Å; T1248-Q1251 PolarHBondContact O-N 3.4Å; T1248-Q1251 VanDerWaalsContact O-N 3.15Å; T1248-E1252 PolarHBondContact O-N 2.91Å |
| 1249 | A | 70.8 | Confident | 67.4 | Low | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -31.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1245 A1253 | N1245-A1249 WeakPolarHBondContact O-CB 3.47Å; N1245-A1249 PolarHBondContact O-N 3.45Å; A1249-A1253 WeakPolarHBondContact O-CB 3.27Å; A1249-A1253 PolarHBondContact O-N 3.37Å |
| 1250 | R | 66.8 | Low | 66.6 | Low | 175 Ų | 175 | 106.3 Ų | 106.3 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75.2 | -29.6 | 174.9 | -168.9 | 174.3 | -175.4 | 176.9 | 2.5 | 113.1 | A1246 H1247 T1248 D1254 | A1246-R1250 WeakPolarHBondContact O-CA 3.29Å; A1246-R1250 WeakPolarHBondContact O-CB 3.49Å; A1246-R1250 PolarHBondContact O-N 3.43Å; H1247-R1250 PolarHBondContact O-N 2.98Å; T1248-R1250 PolarHBondContact O-N 3.4Å; R1250-D1254 VanDerWaalsContact O-CB 3.31Å; R1250-D1254 WeakPolarHBondContact O-CB 3.39Å; R1250-D1254 PolarHBondContact O-N 3.48Å |
| 1251 | Q | 66 | Low | 65.4 | Low | 126 Ų | 126 | 107.4 Ų | 107.4 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.8 | -35.1 | 172.2 | -79.8 | -174.6 | -7.1 | 0 | 0 | 112.6 | H1247 T1248 K1255 | H1247-Q1251 PolarHBondContact O-N 3.11Å; T1248-Q1251 PolarHBondContact O-N 3.4Å; T1248-Q1251 VanDerWaalsContact O-N 3.15Å; Q1251-K1255 PolarHBondContact O-N 3.34Å |
| 1252 | E | 67.3 | Low | 64.6 | Low | 140 Ų | 140 | 107 Ų | 107 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -72.9 | -35.9 | 169.6 | -74.2 | -168.8 | 147.4 | 0 | 0 | 112.3 | T1248 D1254 K1255 R1256 | T1248-E1252 PolarHBondContact O-N 2.91Å; E1252-D1254 VanDerWaalsContact C-N 3.34Å; E1252-K1255 PolarHBondContact O-N 2.95Å; E1252-R1256 PolarHBondContact O-N 3.32Å |
| 1253 | A | 62.1 | Low | 63.7 | Low | 50 Ų | 50 | 110.4 Ų | 110.4 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.5 | -30.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1249 R1256 R1257 | A1249-A1253 WeakPolarHBondContact O-CB 3.27Å; A1249-A1253 PolarHBondContact O-N 3.37Å; A1253-R1256 CarbonylContact O-C 3.36Å; A1253-R1256 PolarHBondContact O-N 3.44Å; A1253-R1257 WeakPolarHBondContact O-CB 3.43Å; A1253-R1257 PolarHBondContact O-N 2.8Å |
| 1254 | D | 57.5 | Low | 62.6 | Low | 65 Ų | 65 | 109.6 Ų | 109.6 | 35% | 0.348 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.6 | -30.3 | 175.5 | -100.6 | -7.5 | 0 | 0 | 0 | 113.2 | R1250 E1252 R1257 K1258 | R1250-D1254 VanDerWaalsContact O-CB 3.31Å; R1250-D1254 WeakPolarHBondContact O-CB 3.39Å; R1250-D1254 PolarHBondContact O-N 3.48Å; E1252-D1254 VanDerWaalsContact C-N 3.34Å; D1254-R1257 IonicContact OD1-CZ 2.83Å; D1254-R1257 IonicContact OD1-NE 3.2Å; D1254-R1257 PolarHBondContact OD1-NE 2.75Å; D1254-R1257 IonicContact OD1-NH2 3.07Å; D1254-R1257 PolarHBondContact OD1-NH2 3.41Å; D1254-R1257 IonicContact OD2-NH2 2.69Å; D1254-K1258 PolarHBondContact O-N 2.94Å |
| 1255 | K | 63.2 | Low | 61.8 | Low | 178 Ų | 178 | 109.9 Ų | 109.9 | 77% | 0.774 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.3 | -33.2 | 169.2 | -81 | -178.6 | 177.9 | 174.9 | 0 | 112.3 | Q1251 E1252 | Q1251-K1255 PolarHBondContact O-N 3.34Å; E1252-K1255 PolarHBondContact O-N 2.95Å |
| 1256 | R | 64 | Low | 61.1 | Low | 195 Ų | 195 | 113.8 Ų | 113.8 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.6 | -30.3 | 172.5 | -72.3 | -178.1 | 178.1 | 150.4 | 1.9 | 112.9 | E1252 A1253 A1259 A1260 | E1252-R1256 PolarHBondContact O-N 3.32Å; A1253-R1256 CarbonylContact O-C 3.36Å; A1253-R1256 PolarHBondContact O-N 3.44Å; R1256-A1259 PolarHBondContact O-N 3.43Å; R1256-A1260 PolarHBondContact O-N 3.39Å |
| 1257 | R | 53.7 | Low | 60 | Low | 125 Ų | 125 | 117 Ų | 117 | 47% | 0.472 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -37.1 | 178.3 | -172.2 | 172.7 | 64 | 110.8 | -6.6 | 111.8 | A1253 D1254 A1259 A1260 E1261 | A1253-R1257 WeakPolarHBondContact O-CB 3.43Å; A1253-R1257 PolarHBondContact O-N 2.8Å; D1254-R1257 IonicContact OD1-CZ 2.83Å; D1254-R1257 IonicContact OD1-NE 3.2Å; D1254-R1257 PolarHBondContact OD1-NE 2.75Å; D1254-R1257 IonicContact OD1-NH2 3.07Å; D1254-R1257 PolarHBondContact OD1-NH2 3.41Å; D1254-R1257 IonicContact OD2-NH2 2.69Å; R1257-A1259 PolarHBondContact O-N 3.26Å; R1257-A1260 PolarHBondContact O-N 3.28Å; R1257-E1261 WeakPolarHBondContact CD-OE1 3.21Å; R1257-E1261 HydrophobicContact CG-CG 3.95Å; R1257-E1261 WeakPolarHBondContact CG-OE1 3.41Å; R1257-E1261 IonicContact CZ-OE1 2.85Å; R1257-E1261 IonicContact NE-OE1 2.67Å; R1257-E1261 IonicContact NH1-OE1 2.87Å; R1257-E1261 PolarHBondContact NH1-OE1 3.44Å; R1257-E1261 VanDerWaalsContact O-CB 3.28Å; R1257-E1261 WeakPolarHBondContact O-CB 3.5Å; R1257-E1261 VanDerWaalsContact O-CG 3.29Å; R1257-E1261 WeakPolarHBondContact O-CG 3.17Å; R1257-E1261 PolarHBondContact O-N 2.9Å |
| 1258 | K | 59.3 | Low | 59 | Low | 168 Ų | 168 | 115.7 Ų | 115.7 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.9 | -22.1 | 172 | -80.7 | -176.6 | 175.7 | 179.5 | 0 | 114.6 | D1254 | D1254-K1258 PolarHBondContact O-N 2.94Å |
| 1259 | A | 57.8 | Low | 58.1 | Low | 68 Ų | 68 | 117 Ų | 117 | 56% | 0.562 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -88 | -25.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1256 R1257 | R1256-A1259 PolarHBondContact O-N 3.43Å; R1257-A1259 PolarHBondContact O-N 3.26Å |
| 1260 | A | 55 | Low | 57.3 | Low | 53 Ų | 53 | 124.2 Ų | 124.2 | 44% | 0.438 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -88 | -26.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1256 R1257 A1262 Q1263 L1264 | R1256-A1260 PolarHBondContact O-N 3.39Å; R1257-A1260 PolarHBondContact O-N 3.28Å; A1260-A1262 PolarHBondContact O-N 2.89Å; A1260-Q1263 CarbonylContact O-C 3.55Å; A1260-Q1263 PolarHBondContact O-N 3.47Å; A1260-L1264 PolarHBondContact O-N 3.5Å |
| 1261 | E | 50.7 | Low | 56.2 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -20.6 | 174.6 | -81.1 | 172.3 | 170 | 0 | 0 | 112.4 | R1257 | R1257-E1261 WeakPolarHBondContact CD-OE1 3.21Å; R1257-E1261 HydrophobicContact CG-CG 3.95Å; R1257-E1261 WeakPolarHBondContact CG-OE1 3.41Å; R1257-E1261 IonicContact CZ-OE1 2.85Å; R1257-E1261 IonicContact NE-OE1 2.67Å; R1257-E1261 IonicContact NH1-OE1 2.87Å; R1257-E1261 PolarHBondContact NH1-OE1 3.44Å; R1257-E1261 VanDerWaalsContact O-CB 3.28Å; R1257-E1261 WeakPolarHBondContact O-CB 3.5Å; R1257-E1261 VanDerWaalsContact O-CG 3.29Å; R1257-E1261 WeakPolarHBondContact O-CG 3.17Å; R1257-E1261 PolarHBondContact O-N 2.9Å |
| 1262 | A | 57.8 | Low | 55.2 | Low | 84 Ų | 84 | 120.1 Ų | 120.1 | 69% | 0.694 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -11.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1260 | A1260-A1262 PolarHBondContact O-N 2.89Š|
| 1263 | Q | 56.4 | Low | 54.1 | Low | 177 Ų | 177 | 121.3 Ų | 121.3 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 4.4 | -179.9 | -79.2 | -175.3 | -28.4 | 0 | 0 | 113.9 | A1260 | A1260-Q1263 CarbonylContact O-C 3.55Å; A1260-Q1263 PolarHBondContact O-N 3.47Å |
| 1264 | L | 45.1 | Very low | 53.3 | Low | 105 Ų | 105 | 125.2 Ų | 125.2 | 55% | 0.55 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -125.3 | 6.2 | 178 | -137.8 | 124.5 | 0 | 0 | 0 | 115.1 | A1260 E1266 M1267 | A1260-L1264 PolarHBondContact O-N 3.5Å; L1264-E1266 PolarHBondContact O-N 3.25Å; L1264-M1267 PolarHBondContact O-N 3.24Å |
| 1265 | S | 57.2 | Low | 52.5 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -3.5 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1266 | E | 58 | Low | 51.3 | Low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 0.6 | -169.9 | -104 | 173 | 146.8 | 0 | 0 | 114.4 | L1264 | L1264-E1266 PolarHBondContact O-N 3.25Š|
| 1267 | M | 48.2 | Very low | 50.2 | Low | 120 Ų | 120 | 128 Ų | 128 | 59% | 0.591 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | -12.5 | -178.4 | -75.7 | -70.8 | -76.4 | 0 | 0 | 115.6 | L1264 A1269 R1270 | L1264-M1267 PolarHBondContact O-N 3.24Å; M1267-A1269 VanDerWaalsContact C-N 3.3Å; M1267-A1269 PolarHBondContact O-N 2.89Å; M1267-R1270 PolarHBondContact O-N 3.44Å |
| 1268 | S | 49.8 | Very low | 49.4 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -82.2 | 1.8 | -178.4 | -63 | 0 | 0 | 0 | 0 | 115.2 | R1270 F1271 | S1268-R1270 PolarHBondContact O-N 3.43Å; S1268-F1271 PolarHBondContact O-N 3.19Å; S1268-F1271 VanDerWaalsContact O-N 3.13Å |
| 1269 | A | 52.6 | Low | 48.3 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -61.6 | 5.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1267 | M1267-A1269 VanDerWaalsContact C-N 3.3Å; M1267-A1269 PolarHBondContact O-N 2.89Å |
| 1270 | R | 54.2 | Low | 47.4 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -117.6 | 14.6 | 173.8 | -66.3 | -177.2 | 176 | 178.4 | 0.2 | 113.9 | M1267 S1268 | M1267-R1270 PolarHBondContact O-N 3.44Å; S1268-R1270 PolarHBondContact O-N 3.43Å |
| 1271 | F | 45.1 | Very low | 46.3 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -123.2 | 1.2 | -178.9 | -132.4 | -107.3 | 0 | 0 | 0 | 115.2 | S1268 D1273 M1274 | S1268-F1271 PolarHBondContact O-N 3.19Å; S1268-F1271 VanDerWaalsContact O-N 3.13Å; F1271-D1273 VanDerWaalsContact C-N 3.31Å; F1271-M1274 HydrophobicContact CD1-CE 3.71Å; F1271-M1274 HydrophobicContact CE1-CE 3.07Å; F1271-M1274 HydrophobicContact CE1-SD 4.23Å; F1271-M1274 HydrophobicContact CZ-CE 3.68Å; F1271-M1274 HydrophobicContact CZ-SD 4.36Å; F1271-M1274 PolarHBondContact O-N 3.17Å |
| 1272 | A | 44.8 | Very low | 45.8 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 63% | 0.628 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -79.6 | -9.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1274 E1275 | A1272-M1274 PolarHBondContact O-N 3.16Å; A1272-M1274 VanDerWaalsContact O-N 3.16Å; A1272-E1275 PolarHBondContact O-N 3.02Å |
| 1273 | D | 44.6 | Very low | 44.9 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -68.3 | 4.7 | 164.3 | -98 | -16.1 | 0 | 0 | 0 | 113.8 | F1271 E1275 | F1271-D1273 VanDerWaalsContact C-N 3.31Å; D1273-E1275 VanDerWaalsContact C-N 3.29Å |
| 1274 | M | 45.3 | Very low | 44.3 | Very low | 131 Ų | 131 | 146 Ų | 146 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -95.9 | 29.7 | 167.4 | -73.2 | -149.1 | -43 | 0 | 0 | 113.5 | F1271 A1272 K1276 | F1271-M1274 HydrophobicContact CD1-CE 3.71Å; F1271-M1274 HydrophobicContact CE1-CE 3.07Å; F1271-M1274 HydrophobicContact CE1-SD 4.23Å; F1271-M1274 HydrophobicContact CZ-CE 3.68Å; F1271-M1274 HydrophobicContact CZ-SD 4.36Å; F1271-M1274 PolarHBondContact O-N 3.17Å; A1272-M1274 PolarHBondContact O-N 3.16Å; A1272-M1274 VanDerWaalsContact O-N 3.16Å; M1274-K1276 PolarHBondContact O-N 3.17Å |
| 1275 | E | 39.4 | Very low | 44 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -57.9 | 45.5 | 160.9 | -101.5 | -163.3 | 150.1 | 0 | 0 | 114.3 | A1272 D1273 | A1272-E1275 PolarHBondContact O-N 3.02Å; D1273-E1275 VanDerWaalsContact C-N 3.29Å | ||
| 1276 | K | 39.1 | Very low | 43.6 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -131.2 | 65.5 | 157.1 | -85.6 | -171.8 | 177.3 | 178.8 | 0 | 109.5 | M1274 K1278 | M1274-K1276 PolarHBondContact O-N 3.17Å; K1276-K1278 PolarHBondContact O-N 2.98Å | ||
| 1277 | S | 39.2 | Very low | 43 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -60.2 | 104.4 | 159.6 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1278 | K | 37.7 | Very low | 42.8 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 77.1 | 50 | 142.5 | -121.9 | 177 | -179.1 | -178.3 | 0 | 118.5 | K1276 | K1276-K1278 PolarHBondContact O-N 2.98Š|
| 1279 | N | 36.7 | Very low | 42.8 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -100.2 | 153.5 | 141.4 | -89.4 | -19.2 | 0 | 0 | 0 | 108 | ||||
| 1280 | D | 37.9 | Very low | 42.6 | Very low | 158 Ų | 158 | 153.4 Ų | 153.4 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 95.9 | 70.2 | 171.1 | -51.4 | -14.6 | 0 | 0 | 0 | 117.2 | ||||
| 1281 | A | 33.5 | Very low | 42.2 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | trans | -130.9 | 49.2 | 136.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1282 | Q | 38.8 | Very low | 42.3 | Very low | 180 Ų | 180 | 152.6 Ų | 152.6 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -107.7 | 74.9 | 169.1 | -165.2 | 173.2 | 2.2 | 0 | 0 | 107.4 | ||||
| 1283 | K | 39.9 | Very low | 42.6 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -150.8 | 30.1 | 165.5 | -127.4 | -175 | -173.7 | -173 | 0 | 114.3 | ||
| 1284 | I | 42.6 | Very low | 42.9 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -142.3 | 64.6 | 159.7 | -48.9 | 178.3 | 0 | 0 | 0 | 108.2 | ||
| 1285 | A | 38.6 | Very low | 43.3 | Very low | 72 Ų | 72 | 149.9 Ų | 149.9 | 60% | 0.595 | 79% | 0.787 | S | S | * | * | trans | -145.9 | 25.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1287 | A1285-E1287 PolarHBondContact O-N 3.12Å; A1285-E1287 VanDerWaalsContact O-N 3.12Å | ||
| 1286 | E | 49.3 | Very low | 43.8 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 12.7 | 166.6 | -86.3 | 175.9 | 164.1 | 0 | 0 | 112.9 | ||
| 1287 | E | 46.7 | Very low | 44.5 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 8.7 | 176.9 | -70.5 | -173.5 | 155.5 | 0 | 0 | 114.2 | A1285 | A1285-E1287 PolarHBondContact O-N 3.12Å; A1285-E1287 VanDerWaalsContact O-N 3.12Å |
| 1288 | A | 44 | Very low | 45.2 | Very low | 64 Ų | 64 | 140.5 Ų | 140.5 | 53% | 0.529 | 75% | 0.747 | S | S | . | * | trans | -99.5 | 1.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q1290 | A1288-Q1290 VanDerWaalsContact C-N 3.28Å; A1288-Q1290 PolarHBondContact O-N 3.29Å; A1288-Q1290 VanDerWaalsContact O-N 3.13Å | ||
| 1289 | E | 48.9 | Very low | 45.8 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -7.5 | -170.8 | -110.7 | -179.6 | 171.4 | 0 | 0 | 116.5 | ||
| 1290 | Q | 49.3 | Very low | 46.8 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 3 | -177 | -81.2 | -176.3 | -9.6 | 0 | 0 | 116.4 | A1288 | A1288-Q1290 VanDerWaalsContact C-N 3.28Å; A1288-Q1290 PolarHBondContact O-N 3.29Å; A1288-Q1290 VanDerWaalsContact O-N 3.13Å |
| 1291 | K | 45.4 | Very low | 47.6 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 82% | 0.817 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -105.2 | 6.3 | 168.9 | -73.4 | -177.9 | 178.6 | 176 | 0 | 113.9 | S1293 | K1291-S1293 VanDerWaalsContact C-N 3.31Å; K1291-S1293 PolarHBondContact O-N 3.48Å |
| 1292 | L | 46.9 | Very low | 48.4 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -0.9 | -173.3 | -137.8 | 99.1 | 0 | 0 | 0 | 116.1 | ||
| 1293 | S | 51.2 | Low | 49.2 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -16.7 | -172.8 | 159.8 | 0 | 0 | 0 | 0 | 115.5 | K1291 | K1291-S1293 VanDerWaalsContact C-N 3.31Å; K1291-S1293 PolarHBondContact O-N 3.48Å |
| 1294 | V | 49.9 | Very low | 50.1 | Low | 122 Ų | 122 | 124.5 Ų | 124.5 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -22.5 | -176 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | A1296 K1297 | V1294-A1296 PolarHBondContact O-N 3.24Å; V1294-K1297 PolarHBondContact O-N 3.37Å |
| 1295 | V | 53.8 | Low | 50.8 | Low | 91 Ų | 91 | 121.9 Ų | 121.9 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.3 | -22.3 | 172.2 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | K1297 S1298 Q1299 | V1295-K1297 PolarHBondContact O-N 3.32Å; V1295-K1297 VanDerWaalsContact O-N 3.12Å; V1295-S1298 PolarHBondContact O-N 2.98Å; V1295-S1298 PolarHBondContact O-OG 3.47Å; V1295-Q1299 PolarHBondContact O-N 3.04Å; V1295-Q1299 VanDerWaalsContact O-N 3.15Å |
| 1296 | A | 51.5 | Low | 51.3 | Low | 60 Ų | 60 | 123.1 Ų | 123.1 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.7 | -14.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1294 | V1294-A1296 PolarHBondContact O-N 3.24Å |
| 1297 | K | 52.6 | Low | 52 | Low | 186 Ų | 186 | 118.7 Ų | 118.7 | 81% | 0.809 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -97.9 | -23.2 | 173.6 | -82.1 | -178.5 | 176 | 176.9 | 0 | 114.2 | V1294 V1295 Q1299 | V1294-K1297 PolarHBondContact O-N 3.37Å; V1295-K1297 PolarHBondContact O-N 3.32Å; V1295-K1297 VanDerWaalsContact O-N 3.12Å; K1297-Q1299 VanDerWaalsContact C-N 3.3Å |
| 1298 | S | 54.4 | Low | 52.7 | Low | 55 Ų | 55 | 115.9 Ų | 115.9 | 39% | 0.385 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -78.6 | -17.5 | 169 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | V1295 L1302 | V1295-S1298 PolarHBondContact O-N 2.98Å; V1295-S1298 PolarHBondContact O-OG 3.47Å; S1298-L1302 PolarHBondContact O-N 3.02Å; S1298-L1302 VanDerWaalsContact O-N 3.17Å |
| 1299 | Q | 51.1 | Low | 53.1 | Low | 107 Ų | 107 | 118.8 Ų | 118.8 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.9 | -31.5 | 176.8 | -158.2 | 169.4 | -5.3 | 0 | 0 | 112.9 | V1295 K1297 E1303 | V1295-Q1299 PolarHBondContact O-N 3.04Å; V1295-Q1299 VanDerWaalsContact O-N 3.15Å; K1297-Q1299 VanDerWaalsContact C-N 3.3Å; Q1299-E1303 WeakPolarHBondContact O-CB 3.3Å; Q1299-E1303 WeakPolarHBondContact O-CG 3.28Å; Q1299-E1303 PolarHBondContact O-N 3.4Å |
| 1300 | S | 56 | Low | 53.4 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.9 | -29 | 177.3 | 166.4 | 0 | 0 | 0 | 0 | 114.2 | K1304 | S1300-K1304 PolarHBondContact O-N 3.12Å |
| 1301 | T | 55 | Low | 54 | Low | 91 Ų | 91 | 112 Ų | 112 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -86.9 | -33.2 | 178 | -14.7 | 0 | 0 | 0 | 0 | 111.5 | K1304 Q1305 | T1301-K1304 PolarHBondContact O-N 3.24Å; T1301-Q1305 PolarHBondContact O-N 2.86Å |
| 1302 | L | 51.5 | Low | 54.6 | Low | 106 Ų | 106 | 106.8 Ų | 106.8 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.6 | -34.8 | 167.7 | -92.9 | 146.4 | 0 | 0 | 0 | 111.8 | S1298 K1304 Q1305 L1306 | S1298-L1302 PolarHBondContact O-N 3.02Å; S1298-L1302 VanDerWaalsContact O-N 3.17Å; L1302-K1304 VanDerWaalsContact C-N 3.33Å; L1302-K1304 PolarHBondContact O-N 3.3Å; L1302-Q1305 PolarHBondContact O-N 2.89Å; L1302-L1306 WeakPolarHBondContact O-CB 3.28Å; L1302-L1306 PolarHBondContact O-N 3.46Å |
| 1303 | E | 54.2 | Low | 55 | Low | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.6 | -34.3 | 171.3 | -83.8 | 168.3 | 174.9 | 0 | 0 | 112.6 | Q1299 L1306 V1307 | Q1299-E1303 WeakPolarHBondContact O-CB 3.3Å; Q1299-E1303 WeakPolarHBondContact O-CG 3.28Å; Q1299-E1303 PolarHBondContact O-N 3.4Å; E1303-L1306 PolarHBondContact O-N 3.49Å; E1303-V1307 WeakPolarHBondContact O-CB 3.44Å; E1303-V1307 VanDerWaalsContact O-CG2 3.23Å; E1303-V1307 WeakPolarHBondContact O-CG2 3.47Å; E1303-V1307 PolarHBondContact O-N 2.85Å |
| 1304 | K | 59.6 | Low | 55.5 | Low | 154 Ų | 154 | 105.8 Ų | 105.8 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.4 | -38.2 | 172.7 | -82.1 | -175.1 | 173.9 | -178 | 0 | 113.3 | S1300 T1301 L1302 L1306 V1307 E1308 | S1300-K1304 PolarHBondContact O-N 3.12Å; T1301-K1304 PolarHBondContact O-N 3.24Å; L1302-K1304 VanDerWaalsContact C-N 3.33Å; L1302-K1304 PolarHBondContact O-N 3.3Å; K1304-L1306 VanDerWaalsContact C-N 3.3Å; K1304-V1307 PolarHBondContact O-N 3.44Å; K1304-E1308 PolarHBondContact O-N 3.36Å; K1304-E1308 VanDerWaalsContact O-N 3.09Å |
| 1305 | Q | 56.2 | Low | 56.1 | Low | 118 Ų | 118 | 104.5 Ų | 104.5 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.9 | -25.8 | 173.2 | -71.9 | -179.2 | -25.3 | 0 | 0 | 112.5 | T1301 L1302 L1309 | T1301-Q1305 PolarHBondContact O-N 2.86Å; L1302-Q1305 PolarHBondContact O-N 2.89Å; Q1305-L1309 WeakPolarHBondContact O-CB 3.47Å; Q1305-L1309 PolarHBondContact O-N 2.93Å |
| 1306 | L | 49.8 | Very low | 56.2 | Low | 98 Ų | 98 | 106.4 Ų | 106.4 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -79.7 | -27.8 | 174.4 | -151.7 | 149.2 | 0 | 0 | 0 | 111.6 | L1302 E1303 K1304 Q1310 | L1302-L1306 WeakPolarHBondContact O-CB 3.28Å; L1302-L1306 PolarHBondContact O-N 3.46Å; E1303-L1306 PolarHBondContact O-N 3.49Å; K1304-L1306 VanDerWaalsContact C-N 3.3Å; L1306-Q1310 HydrophobicContact CD2-CG 4.12Å; L1306-Q1310 WeakPolarHBondContact O-CA 3.42Å; L1306-Q1310 WeakPolarHBondContact O-CB 3.45Å; L1306-Q1310 WeakPolarHBondContact O-CG 3.49Å; L1306-Q1310 PolarHBondContact O-N 3.24Å |
| 1307 | V | 64.5 | Low | 56.3 | Low | 75 Ų | 75 | 106.3 Ų | 106.3 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.5 | -39 | 168.3 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | E1303 K1304 Q1310 E1311 | E1303-V1307 WeakPolarHBondContact O-CB 3.44Å; E1303-V1307 VanDerWaalsContact O-CG2 3.23Å; E1303-V1307 WeakPolarHBondContact O-CG2 3.47Å; E1303-V1307 PolarHBondContact O-N 2.85Å; K1304-V1307 PolarHBondContact O-N 3.44Å; V1307-Q1310 CarbonylContact O-C 3.44Å; V1307-Q1310 PolarHBondContact O-N 3.42Å; V1307-E1311 PolarHBondContact O-N 2.97Å |
| 1308 | E | 61.1 | Low | 57.1 | Low | 137 Ų | 137 | 106.3 Ų | 106.3 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.3 | -35.7 | 173.5 | -75.8 | 176.3 | 171.4 | 0 | 0 | 112.5 | K1304 E1311 S1312 | K1304-E1308 PolarHBondContact O-N 3.36Å; K1304-E1308 VanDerWaalsContact O-N 3.09Å; E1308-E1311 PolarHBondContact O-N 2.93Å; E1308-S1312 WeakPolarHBondContact O-CB 3.45Å; E1308-S1312 PolarHBondContact O-N 2.93Å |
| 1309 | L | 52.8 | Low | 57.5 | Low | 125 Ų | 125 | 109.7 Ų | 109.7 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.2 | -27.6 | 167.8 | -102.9 | 121.8 | 0 | 0 | 0 | 112.6 | Q1305 L1313 | Q1305-L1309 WeakPolarHBondContact O-CB 3.47Å; Q1305-L1309 PolarHBondContact O-N 2.93Å; L1309-L1313 WeakPolarHBondContact O-CB 3.38Å; L1309-L1313 PolarHBondContact O-N 3.28Å |
| 1310 | Q | 55.6 | Low | 58 | Low | 98 Ų | 98 | 111.5 Ų | 111.5 | 46% | 0.458 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -77.5 | -28.6 | 172 | -87.4 | 177.3 | -36.9 | 0 | 0 | 112.8 | L1306 V1307 L1313 Q1314 | L1306-Q1310 HydrophobicContact CD2-CG 4.12Å; L1306-Q1310 WeakPolarHBondContact O-CA 3.42Å; L1306-Q1310 WeakPolarHBondContact O-CB 3.45Å; L1306-Q1310 WeakPolarHBondContact O-CG 3.49Å; L1306-Q1310 PolarHBondContact O-N 3.24Å; V1307-Q1310 CarbonylContact O-C 3.44Å; V1307-Q1310 PolarHBondContact O-N 3.42Å; Q1310-L1313 CarbonylContact O-C 3.6Å; Q1310-Q1314 WeakPolarHBondContact O-CA 3.31Å; Q1310-Q1314 WeakPolarHBondContact O-CB 3.49Å; Q1310-Q1314 WeakPolarHBondContact O-CG 3.43Å; Q1310-Q1314 PolarHBondContact O-N 3.19Å |
| 1311 | E | 61.7 | Low | 58.3 | Low | 120 Ų | 120 | 112.4 Ų | 112.4 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.7 | -41.2 | 170.2 | -86 | -174.1 | 155 | 0 | 0 | 110.9 | V1307 E1308 L1313 Q1314 D1315 | V1307-E1311 PolarHBondContact O-N 2.97Å; E1308-E1311 PolarHBondContact O-N 2.93Å; E1311-L1313 VanDerWaalsContact C-N 3.34Å; E1311-L1313 PolarHBondContact O-N 3.47Å; E1311-Q1314 PolarHBondContact O-N 2.9Å; E1311-Q1314 VanDerWaalsContact O-N 3.13Å; E1311-D1315 PolarHBondContact O-N 3.13Å |
| 1312 | S | 57.8 | Low | 59 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 54% | 0.538 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 169.6 | 170.2 | 0 | 0 | 0 | 0 | 112 | E1308 E1316 | E1308-S1312 WeakPolarHBondContact O-CB 3.45Å; E1308-S1312 PolarHBondContact O-N 2.93Å; S1312-E1316 WeakPolarHBondContact O-CB 3.27Å; S1312-E1316 PolarHBondContact O-N 3.12Å |
| 1313 | L | 55.1 | Low | 59.3 | Low | 95 Ų | 95 | 110.1 Ų | 110.1 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.1 | -29.8 | 172 | -166.3 | 76.7 | 0 | 0 | 0 | 111.3 | L1309 Q1310 E1311 T1317 | L1309-L1313 WeakPolarHBondContact O-CB 3.38Å; L1309-L1313 PolarHBondContact O-N 3.28Å; Q1310-L1313 CarbonylContact O-C 3.6Å; E1311-L1313 VanDerWaalsContact C-N 3.34Å; E1311-L1313 PolarHBondContact O-N 3.47Å; L1313-T1317 WeakPolarHBondContact O-CA 3.47Å; L1313-T1317 WeakPolarHBondContact O-CB 3.36Å; L1313-T1317 PolarHBondContact O-N 2.71Å; L1313-T1317 PolarHBondContact O-OG1 3.5Å |
| 1314 | Q | 61.8 | Low | 59.7 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 58% | 0.584 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.7 | -30.8 | 175.3 | -87.3 | 179.3 | 3.1 | 0 | 0 | 112.3 | Q1310 E1311 T1317 R1318 | Q1310-Q1314 WeakPolarHBondContact O-CA 3.31Å; Q1310-Q1314 WeakPolarHBondContact O-CB 3.49Å; Q1310-Q1314 WeakPolarHBondContact O-CG 3.43Å; Q1310-Q1314 PolarHBondContact O-N 3.19Å; E1311-Q1314 PolarHBondContact O-N 2.9Å; E1311-Q1314 VanDerWaalsContact O-N 3.13Å; Q1314-T1317 CarbonylContact O-C 3.6Å; Q1314-R1318 VanDerWaalsContact O-CB 3.29Å; Q1314-R1318 WeakPolarHBondContact O-CB 3.44Å; Q1314-R1318 WeakPolarHBondContact O-CG 3.28Å; Q1314-R1318 PolarHBondContact O-N 3.23Å |
| 1315 | D | 62.9 | Low | 60.2 | Low | 95 Ų | 95 | 105.8 Ų | 105.8 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.4 | -37.4 | 171.4 | -81.6 | -19.2 | 0 | 0 | 0 | 111.7 | E1311 T1317 R1318 L1319 | E1311-D1315 PolarHBondContact O-N 3.13Å; D1315-T1317 VanDerWaalsContact C-N 3.31Å; D1315-R1318 PolarHBondContact O-N 3Å; D1315-R1318 IonicContact OD1-NH1 2.78Å; D1315-L1319 PolarHBondContact O-N 2.61Å |
| 1316 | E | 55.2 | Low | 60.7 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.4 | -33.5 | 168.6 | -139.7 | -176.7 | -165.3 | 0 | 0 | 111.3 | S1312 K1320 | S1312-E1316 WeakPolarHBondContact O-CB 3.27Å; S1312-E1316 PolarHBondContact O-N 3.12Å; E1316-K1320 WeakPolarHBondContact O-CB 3.28Å; E1316-K1320 PolarHBondContact O-N 2.81Å |
| 1317 | T | 54.6 | Low | 61.4 | Low | 58 Ų | 58 | 106.9 Ų | 106.9 | 36% | 0.356 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78 | -22.1 | 174 | -54 | 0 | 0 | 0 | 0 | 111.7 | L1313 Q1314 D1315 L1321 | L1313-T1317 WeakPolarHBondContact O-CA 3.47Å; L1313-T1317 WeakPolarHBondContact O-CB 3.36Å; L1313-T1317 PolarHBondContact O-N 2.71Å; L1313-T1317 PolarHBondContact O-OG1 3.5Å; Q1314-T1317 CarbonylContact O-C 3.6Å; D1315-T1317 VanDerWaalsContact C-N 3.31Å; T1317-L1321 HydrophobicContact CG2-CD1 4.03Å; T1317-L1321 HydrophobicContact CG2-CG 4.4Å; T1317-L1321 WeakPolarHBondContact O-CA 3.31Å; T1317-L1321 WeakPolarHBondContact O-CB 3.46Å; T1317-L1321 WeakPolarHBondContact O-CD1 3.4Å; T1317-L1321 VanDerWaalsContact O-CG 3.23Å; T1317-L1321 WeakPolarHBondContact O-CG 3.42Å; T1317-L1321 PolarHBondContact O-N 3.17Å |
| 1318 | R | 67.3 | Low | 61.5 | Low | 186 Ų | 186 | 110.9 Ų | 110.9 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -76.2 | -38.8 | 168.4 | -97 | 177.3 | 164 | 168.1 | -2.9 | 111.7 | Q1314 D1315 G1322 | Q1314-R1318 VanDerWaalsContact O-CB 3.29Å; Q1314-R1318 WeakPolarHBondContact O-CB 3.44Å; Q1314-R1318 WeakPolarHBondContact O-CG 3.28Å; Q1314-R1318 PolarHBondContact O-N 3.23Å; D1315-R1318 PolarHBondContact O-N 3Å; D1315-R1318 IonicContact OD1-NH1 2.78Å; R1318-G1322 PolarHBondContact O-N 2.99Å |
| 1319 | L | 63.9 | Low | 62.1 | Low | 126 Ų | 126 | 110.5 Ų | 110.5 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.3 | -37.6 | 169.5 | -92.1 | 153.6 | 0 | 0 | 0 | 111.3 | D1315 L1323 | D1315-L1319 PolarHBondContact O-N 2.61Å; L1319-L1323 WeakPolarHBondContact O-CB 3.29Å; L1319-L1323 WeakPolarHBondContact O-CG 3.47Å; L1319-L1323 PolarHBondContact O-N 3.36Å |
| 1320 | K | 62.5 | Low | 62.7 | Low | 145 Ų | 145 | 110.1 Ų | 110.1 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.4 | -38.4 | 173.5 | -155.2 | 176.4 | -173 | 179.7 | 0 | 112.1 | E1316 L1323 Q1324 | E1316-K1320 WeakPolarHBondContact O-CB 3.28Å; E1316-K1320 PolarHBondContact O-N 2.81Å; K1320-L1323 CarbonylContact O-C 3.56Å; K1320-L1323 PolarHBondContact O-N 3.43Å; K1320-Q1324 WeakPolarHBondContact O-CA 3.5Å; K1320-Q1324 WeakPolarHBondContact O-CB 3.49Å; K1320-Q1324 PolarHBondContact O-N 2.95Å |
| 1321 | L | 60.5 | Low | 63.3 | Low | 91 Ų | 91 | 110.7 Ų | 110.7 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 172.5 | -88.7 | 157.5 | 0 | 0 | 0 | 111.2 | T1317 Q1324 T1325 | T1317-L1321 HydrophobicContact CG2-CD1 4.03Å; T1317-L1321 HydrophobicContact CG2-CG 4.4Å; T1317-L1321 WeakPolarHBondContact O-CA 3.31Å; T1317-L1321 WeakPolarHBondContact O-CB 3.46Å; T1317-L1321 WeakPolarHBondContact O-CD1 3.4Å; T1317-L1321 VanDerWaalsContact O-CG 3.23Å; T1317-L1321 WeakPolarHBondContact O-CG 3.42Å; T1317-L1321 PolarHBondContact O-N 3.17Å; L1321-Q1324 CarbonylContact O-C 3.56Å; L1321-Q1324 PolarHBondContact O-N 3.43Å; L1321-T1325 PolarHBondContact O-N 3.33Å; L1321-T1325 PolarHBondContact O-OG1 3.28Å |
| 1322 | G | 69.8 | Low | 63.9 | Low | 32 Ų | 32 | 108.4 Ų | 108.4 | 33% | 0.33 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | R1318 Q1324 T1325 K1326 | R1318-G1322 PolarHBondContact O-N 2.99Å; G1322-Q1324 VanDerWaalsContact C-N 3.32Å; G1322-T1325 WeakPolarHBondContact CA-OG1 3.17Å; G1322-T1325 PolarHBondContact O-OG1 3.06Å; G1322-K1326 WeakPolarHBondContact O-CB 3.39Å; G1322-K1326 PolarHBondContact O-N 2.93Å |
| 1323 | L | 59.3 | Low | 64.6 | Low | 117 Ų | 117 | 108.9 Ų | 108.9 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.4 | -30.3 | 168.5 | -81.8 | 162.6 | 0 | 0 | 0 | 111.7 | L1319 K1320 K1326 L1327 | L1319-L1323 WeakPolarHBondContact O-CB 3.29Å; L1319-L1323 WeakPolarHBondContact O-CG 3.47Å; L1319-L1323 PolarHBondContact O-N 3.36Å; K1320-L1323 CarbonylContact O-C 3.56Å; K1320-L1323 PolarHBondContact O-N 3.43Å; L1323-K1326 CarbonylContact O-C 3.5Å; L1323-L1327 WeakPolarHBondContact O-CB 3.23Å; L1323-L1327 PolarHBondContact O-N 3.46Å |
| 1324 | Q | 62.6 | Low | 65.3 | Low | 92 Ų | 92 | 111.5 Ų | 111.5 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -82.9 | -24.5 | 177.2 | -156.3 | 174.7 | 18.6 | 0 | 0 | 112.4 | K1320 L1321 G1322 R1328 | K1320-Q1324 WeakPolarHBondContact O-CA 3.5Å; K1320-Q1324 WeakPolarHBondContact O-CB 3.49Å; K1320-Q1324 PolarHBondContact O-N 2.95Å; L1321-Q1324 CarbonylContact O-C 3.56Å; L1321-Q1324 PolarHBondContact O-N 3.43Å; G1322-Q1324 VanDerWaalsContact C-N 3.32Å; Q1324-R1328 WeakPolarHBondContact O-CB 3.42Å; Q1324-R1328 VanDerWaalsContact O-CG 3.24Å; Q1324-R1328 WeakPolarHBondContact O-CG 3.36Å; Q1324-R1328 PolarHBondContact O-N 2.95Å |
| 1325 | T | 69.3 | Low | 65.8 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.8 | -36.2 | 163.9 | 21.6 | 0 | 0 | 0 | 0 | 110.9 | L1321 G1322 L1327 R1328 Q1329 | L1321-T1325 PolarHBondContact O-N 3.33Å; L1321-T1325 PolarHBondContact O-OG1 3.28Å; G1322-T1325 WeakPolarHBondContact CA-OG1 3.17Å; G1322-T1325 PolarHBondContact O-OG1 3.06Å; T1325-L1327 VanDerWaalsContact C-N 3.35Å; T1325-R1328 PolarHBondContact O-N 2.82Å; T1325-Q1329 WeakPolarHBondContact O-CB 3.35Å; T1325-Q1329 PolarHBondContact O-N 2.83Å |
| 1326 | K | 65.9 | Low | 66.2 | Low | 148 Ų | 148 | 105.5 Ų | 105.5 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -35.9 | 167.7 | -101.2 | 176.7 | 175.2 | 176.1 | 0 | 112.4 | G1322 L1323 L1330 | G1322-K1326 WeakPolarHBondContact O-CB 3.39Å; G1322-K1326 PolarHBondContact O-N 2.93Å; L1323-K1326 CarbonylContact O-C 3.5Å; K1326-L1330 VanDerWaalsContact O-CB 3.25Å; K1326-L1330 WeakPolarHBondContact O-CB 3.24Å; K1326-L1330 VanDerWaalsContact O-CG 3.31Å; K1326-L1330 WeakPolarHBondContact O-CG 3.18Å; K1326-L1330 PolarHBondContact O-N 3.01Å |
| 1327 | L | 65.6 | Low | 66.9 | Low | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 173.3 | -160.8 | 87.7 | 0 | 0 | 0 | 110.5 | L1323 T1325 Q1329 L1330 E1331 | L1323-L1327 WeakPolarHBondContact O-CB 3.23Å; L1323-L1327 PolarHBondContact O-N 3.46Å; T1325-L1327 VanDerWaalsContact C-N 3.35Å; L1327-Q1329 VanDerWaalsContact C-N 3.34Å; L1327-L1330 CarbonylContact O-C 3.35Å; L1327-L1330 PolarHBondContact O-N 2.87Å; L1327-E1331 HydrophobicContact CG-CG 4.49Å; L1327-E1331 WeakPolarHBondContact O-CA 3.16Å; L1327-E1331 WeakPolarHBondContact O-CB 3.36Å; L1327-E1331 WeakPolarHBondContact O-CG 3.5Å; L1327-E1331 PolarHBondContact O-N 2.77Å |
| 1328 | R | 67 | Low | 67.7 | Low | 160 Ų | 160 | 107.7 Ų | 107.7 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.7 | -30.2 | 173.6 | -81.2 | 178.8 | 178.7 | 176 | 0.9 | 113 | Q1324 T1325 S1332 | Q1324-R1328 WeakPolarHBondContact O-CB 3.42Å; Q1324-R1328 VanDerWaalsContact O-CG 3.24Å; Q1324-R1328 WeakPolarHBondContact O-CG 3.36Å; Q1324-R1328 PolarHBondContact O-N 2.95Å; T1325-R1328 PolarHBondContact O-N 2.82Å; R1328-S1332 WeakPolarHBondContact O-CA 3.2Å; R1328-S1332 WeakPolarHBondContact O-CB 3.32Å; R1328-S1332 PolarHBondContact O-N 2.91Å |
| 1329 | Q | 73.4 | Confident | 68 | Low | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.7 | -37.5 | 174.6 | -161.6 | 150.2 | 11.6 | 0 | 0 | 110.2 | T1325 L1327 S1332 D1333 | T1325-Q1329 WeakPolarHBondContact O-CB 3.35Å; T1325-Q1329 PolarHBondContact O-N 2.83Å; L1327-Q1329 VanDerWaalsContact C-N 3.34Å; Q1329-S1332 CarbonylContact O-C 3.54Å; Q1329-S1332 PolarHBondContact O-N 2.88Å; Q1329-D1333 VanDerWaalsContact O-CB 3.26Å; Q1329-D1333 WeakPolarHBondContact O-CB 3.39Å; Q1329-D1333 PolarHBondContact O-N 3.47Å |
| 1330 | L | 65.3 | Low | 68.4 | Low | 116 Ų | 116 | 102.2 Ų | 102.2 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.5 | -33.5 | 168.5 | -78.7 | 166.5 | 0 | 0 | 0 | 113 | K1326 L1327 F1334 | K1326-L1330 VanDerWaalsContact O-CB 3.25Å; K1326-L1330 WeakPolarHBondContact O-CB 3.24Å; K1326-L1330 VanDerWaalsContact O-CG 3.31Å; K1326-L1330 WeakPolarHBondContact O-CG 3.18Å; K1326-L1330 PolarHBondContact O-N 3.01Å; L1327-L1330 CarbonylContact O-C 3.35Å; L1327-L1330 PolarHBondContact O-N 2.87Å; L1330-F1334 WeakPolarHBondContact O-CB 3.21Å; L1330-F1334 PolarHBondContact O-N 3.33Å |
| 1331 | E | 67.6 | Low | 68.6 | Low | 110 Ų | 110 | 100.2 Ų | 100.2 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.9 | -32.4 | 173.6 | -76.8 | 169.5 | 167.5 | 0 | 0 | 110.8 | L1327 F1334 A1335 | L1327-E1331 HydrophobicContact CG-CG 4.49Å; L1327-E1331 WeakPolarHBondContact O-CA 3.16Å; L1327-E1331 WeakPolarHBondContact O-CB 3.36Å; L1327-E1331 WeakPolarHBondContact O-CG 3.5Å; L1327-E1331 PolarHBondContact O-N 2.77Å; E1331-F1334 CarbonylContact O-C 3.46Å; E1331-F1334 PolarHBondContact O-N 3.47Å; E1331-A1335 WeakPolarHBondContact O-CB 3.43Å; E1331-A1335 PolarHBondContact O-N 3.01Å |
| 1332 | S | 74.6 | Confident | 69 | Low | 72 Ų | 72 | 100.8 Ų | 100.8 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.9 | -34.6 | 170.3 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | R1328 Q1329 S1336 | R1328-S1332 WeakPolarHBondContact O-CA 3.2Å; R1328-S1332 WeakPolarHBondContact O-CB 3.32Å; R1328-S1332 PolarHBondContact O-N 2.91Å; Q1329-S1332 CarbonylContact O-C 3.54Å; Q1329-S1332 PolarHBondContact O-N 2.88Å; S1332-S1336 WeakPolarHBondContact O-CB 3.44Å; S1332-S1336 PolarHBondContact O-N 3.34Å |
| 1333 | D | 72.3 | Confident | 69.1 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.8 | -34.9 | 171.6 | -69.5 | -17.2 | 0 | 0 | 0 | 109.7 | Q1329 S1336 V1337 | Q1329-D1333 VanDerWaalsContact O-CB 3.26Å; Q1329-D1333 WeakPolarHBondContact O-CB 3.39Å; Q1329-D1333 PolarHBondContact O-N 3.47Å; D1333-S1336 PolarHBondContact O-N 3.47Å; D1333-V1337 VanDerWaalsContact O-CB 3.25Å; D1333-V1337 WeakPolarHBondContact O-CB 3.37Å; D1333-V1337 WeakPolarHBondContact O-CG2 3.33Å; D1333-V1337 PolarHBondContact O-N 2.97Å |
| 1334 | F | 69.3 | Low | 69.5 | Low | 150 Ų | 150 | 105.9 Ų | 105.9 | 66% | 0.658 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.1 | -35.9 | 173 | -155.2 | -89 | 0 | 0 | 0 | 111.4 | L1330 E1331 R1338 | L1330-F1334 WeakPolarHBondContact O-CB 3.21Å; L1330-F1334 PolarHBondContact O-N 3.33Å; E1331-F1334 CarbonylContact O-C 3.46Å; E1331-F1334 PolarHBondContact O-N 3.47Å; F1334-R1338 WeakPolarHBondContact O-CB 3.2Å; F1334-R1338 PolarHBondContact O-N 3.03Å |
| 1335 | A | 72.8 | Confident | 69.6 | Low | 42 Ų | 42 | 105.9 Ų | 105.9 | 35% | 0.347 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1331 R1338 D1339 | E1331-A1335 WeakPolarHBondContact O-CB 3.43Å; E1331-A1335 PolarHBondContact O-N 3.01Å; A1335-R1338 CarbonylContact O-C 3.55Å; A1335-R1338 PolarHBondContact O-N 3.29Å; A1335-D1339 VanDerWaalsContact O-CB 3.29Å; A1335-D1339 WeakPolarHBondContact O-CB 3.5Å; A1335-D1339 VanDerWaalsContact O-CG 3.22Å; A1335-D1339 PolarHBondContact O-N 2.49Å |
| 1336 | S | 72.1 | Confident | 69.7 | Low | 53 Ų | 53 | 108 Ų | 108 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 173.8 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | S1332 D1333 Q1340 | S1332-S1336 WeakPolarHBondContact O-CB 3.44Å; S1332-S1336 PolarHBondContact O-N 3.34Å; D1333-S1336 PolarHBondContact O-N 3.47Å; S1336-Q1340 VanDerWaalsContact O-CB 3.25Å; S1336-Q1340 WeakPolarHBondContact O-CB 3.23Å; S1336-Q1340 WeakPolarHBondContact O-CG 3.35Å; S1336-Q1340 PolarHBondContact O-N 2.59Å |
| 1337 | V | 69.2 | Low | 69.9 | Low | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.4 | -29.1 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 111 | D1333 K1341 | D1333-V1337 VanDerWaalsContact O-CB 3.25Å; D1333-V1337 WeakPolarHBondContact O-CB 3.37Å; D1333-V1337 WeakPolarHBondContact O-CG2 3.33Å; D1333-V1337 PolarHBondContact O-N 2.97Å; V1337-K1341 WeakPolarHBondContact O-CB 3.16Å; V1337-K1341 PolarHBondContact O-N 3.3Å |
| 1338 | R | 72 | Confident | 70 | Confident | 147 Ų | 147 | 105 Ų | 105 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.3 | -41.2 | 172.3 | -171.6 | -178.1 | -161.5 | 147.4 | 3.3 | 111.5 | F1334 A1335 K1341 E1342 | F1334-R1338 WeakPolarHBondContact O-CB 3.2Å; F1334-R1338 PolarHBondContact O-N 3.03Å; A1335-R1338 CarbonylContact O-C 3.55Å; A1335-R1338 PolarHBondContact O-N 3.29Å; R1338-K1341 CarbonylContact O-C 3.59Å; R1338-K1341 WeakPolarHBondContact O-CA 3.44Å; R1338-K1341 WeakPolarHBondContact O-CB 3.42Å; R1338-K1341 PolarHBondContact O-N 3.08Å; R1338-K1341 VanDerWaalsContact O-N 3.14Å; R1338-E1342 WeakPolarHBondContact O-CB 3.36Å; R1338-E1342 WeakPolarHBondContact O-CG 3.14Å; R1338-E1342 PolarHBondContact O-N 3.4Å |
| 1339 | D | 72.8 | Confident | 70.2 | Confident | 93 Ų | 93 | 102.8 Ų | 102.8 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 172.6 | -72.4 | -6 | 0 | 0 | 0 | 110 | A1335 K1341 E1342 E1343 | A1335-D1339 VanDerWaalsContact O-CB 3.29Å; A1335-D1339 WeakPolarHBondContact O-CB 3.5Å; A1335-D1339 VanDerWaalsContact O-CG 3.22Å; A1335-D1339 PolarHBondContact O-N 2.49Å; D1339-K1341 VanDerWaalsContact C-N 3.32Å; D1339-K1341 PolarHBondContact O-N 3.28Å; D1339-E1342 PolarHBondContact O-N 3.28Å; D1339-E1343 VanDerWaalsContact O-CB 3.24Å; D1339-E1343 WeakPolarHBondContact O-CB 3.22Å; D1339-E1343 WeakPolarHBondContact O-CG 3.41Å; D1339-E1343 PolarHBondContact O-N 2.82Å |
| 1340 | Q | 71.8 | Confident | 70.1 | Confident | 105 Ų | 105 | 101 Ų | 101 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -31.4 | 169.3 | -78.5 | 175.7 | 7.7 | 0 | 0 | 112 | S1336 L1344 | S1336-Q1340 VanDerWaalsContact O-CB 3.25Å; S1336-Q1340 WeakPolarHBondContact O-CB 3.23Å; S1336-Q1340 WeakPolarHBondContact O-CG 3.35Å; S1336-Q1340 PolarHBondContact O-N 2.59Å; Q1340-L1344 WeakPolarHBondContact O-CB 3.43Å; Q1340-L1344 WeakPolarHBondContact O-CD1 3.49Å; Q1340-L1344 WeakPolarHBondContact O-CG 3.38Å; Q1340-L1344 PolarHBondContact O-N 2.94Å |
| 1341 | K | 67 | Low | 70 | Confident | 103 Ų | 103 | 98.3 Ų | 98.3 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.2 | -35.5 | 174.3 | -179.1 | -173.6 | 170.7 | -170.7 | 0 | 111.4 | V1337 R1338 D1339 L1344 E1345 | V1337-K1341 WeakPolarHBondContact O-CB 3.16Å; V1337-K1341 PolarHBondContact O-N 3.3Å; R1338-K1341 CarbonylContact O-C 3.59Å; R1338-K1341 WeakPolarHBondContact O-CA 3.44Å; R1338-K1341 WeakPolarHBondContact O-CB 3.42Å; R1338-K1341 PolarHBondContact O-N 3.08Å; R1338-K1341 VanDerWaalsContact O-N 3.14Å; D1339-K1341 VanDerWaalsContact C-N 3.32Å; D1339-K1341 PolarHBondContact O-N 3.28Å; K1341-L1344 CarbonylContact O-C 3.18Å; K1341-L1344 PolarHBondContact O-N 3.18Å; K1341-E1345 WeakPolarHBondContact O-CA 3.35Å; K1341-E1345 WeakPolarHBondContact O-CB 3.5Å; K1341-E1345 WeakPolarHBondContact O-CG 3.42Å; K1341-E1345 PolarHBondContact O-N 3.29Å |
| 1342 | E | 70.4 | Confident | 69.9 | Low | 103 Ų | 103 | 98.1 Ų | 98.1 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.4 | -40.9 | 173.9 | -78.4 | 179.6 | -169.1 | 0 | 0 | 110.1 | R1338 D1339 L1344 E1345 E1346 | R1338-E1342 WeakPolarHBondContact O-CB 3.36Å; R1338-E1342 WeakPolarHBondContact O-CG 3.14Å; R1338-E1342 PolarHBondContact O-N 3.4Å; D1339-E1342 PolarHBondContact O-N 3.28Å; E1342-L1344 PolarHBondContact O-N 3.08Å; E1342-E1345 CarbonylContact O-C 3.57Å; E1342-E1345 PolarHBondContact O-N 3.34Å; E1342-E1346 WeakPolarHBondContact O-CA 3.48Å; E1342-E1346 WeakPolarHBondContact O-CB 3.45Å; E1342-E1346 PolarHBondContact O-N 2.97Å |
| 1343 | E | 71.4 | Confident | 69.7 | Low | 136 Ų | 136 | 100.9 Ų | 100.9 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -36.2 | 168.3 | -80.7 | -172.8 | 158.9 | 0 | 0 | 111.6 | D1339 A1347 | D1339-E1343 VanDerWaalsContact O-CB 3.24Å; D1339-E1343 WeakPolarHBondContact O-CB 3.22Å; D1339-E1343 WeakPolarHBondContact O-CG 3.41Å; D1339-E1343 PolarHBondContact O-N 2.82Å; E1343-A1347 WeakPolarHBondContact O-CA 3.45Å; E1343-A1347 WeakPolarHBondContact O-CB 3.07Å; E1343-A1347 PolarHBondContact O-N 2.94Å |
| 1344 | L | 66.4 | Low | 69.6 | Low | 120 Ų | 120 | 102.9 Ų | 102.9 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -75.9 | -31.3 | 173.4 | -79 | 166.9 | 0 | 0 | 0 | 112.5 | Q1340 K1341 E1342 K1348 | Q1340-L1344 WeakPolarHBondContact O-CB 3.43Å; Q1340-L1344 WeakPolarHBondContact O-CD1 3.49Å; Q1340-L1344 WeakPolarHBondContact O-CG 3.38Å; Q1340-L1344 PolarHBondContact O-N 2.94Å; K1341-L1344 CarbonylContact O-C 3.18Å; K1341-L1344 PolarHBondContact O-N 3.18Å; E1342-L1344 PolarHBondContact O-N 3.08Å; L1344-K1348 WeakPolarHBondContact O-CA 3.23Å; L1344-K1348 WeakPolarHBondContact O-CB 3.22Å; L1344-K1348 PolarHBondContact O-N 3.44Å |
| 1345 | E | 65.2 | Low | 69.3 | Low | 91 Ų | 91 | 99.3 Ų | 99.3 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.1 | -33.5 | 173.3 | -85.4 | 177.7 | 167.2 | 0 | 0 | 110.9 | K1341 E1342 K1348 Q1349 | K1341-E1345 WeakPolarHBondContact O-CA 3.35Å; K1341-E1345 WeakPolarHBondContact O-CB 3.5Å; K1341-E1345 WeakPolarHBondContact O-CG 3.42Å; K1341-E1345 PolarHBondContact O-N 3.29Å; E1342-E1345 CarbonylContact O-C 3.57Å; E1342-E1345 PolarHBondContact O-N 3.34Å; E1345-K1348 CarbonylContact O-C 3.53Å; E1345-K1348 PolarHBondContact O-N 2.96Å; E1345-Q1349 WeakPolarHBondContact O-CB 3.36Å; E1345-Q1349 WeakPolarHBondContact O-CG 3.42Å; E1345-Q1349 PolarHBondContact O-N 3.02Å |
| 1346 | E | 71.2 | Confident | 69 | Low | 125 Ų | 125 | 103 Ų | 103 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -78.7 | -37.5 | 174.8 | -159.6 | 175.6 | -144 | 0 | 0 | 111 | E1342 K1348 Q1349 N1350 | E1342-E1346 WeakPolarHBondContact O-CA 3.48Å; E1342-E1346 WeakPolarHBondContact O-CB 3.45Å; E1342-E1346 PolarHBondContact O-N 2.97Å; E1346-K1348 VanDerWaalsContact C-N 3.33Å; E1346-Q1349 PolarHBondContact O-N 3.13Å; E1346-N1350 VanDerWaalsContact O-CB 3.23Å; E1346-N1350 WeakPolarHBondContact O-CB 3.19Å; E1346-N1350 PolarHBondContact O-N 3.15Å |
| 1347 | A | 70.7 | Confident | 68.9 | Low | 48 Ų | 48 | 105.4 Ų | 105.4 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.5 | -31 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1343 S1351 | E1343-A1347 WeakPolarHBondContact O-CA 3.45Å; E1343-A1347 WeakPolarHBondContact O-CB 3.07Å; E1343-A1347 PolarHBondContact O-N 2.94Å; A1347-S1351 WeakPolarHBondContact O-CA 3.45Å; A1347-S1351 WeakPolarHBondContact O-CB 3.26Å; A1347-S1351 PolarHBondContact O-N 3.43Å; A1347-S1351 PolarHBondContact O-OG 3.4Å |
| 1348 | K | 68.7 | Low | 68.8 | Low | 129 Ų | 129 | 106.1 Ų | 106.1 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74 | -37 | 171.1 | 179.7 | -175.8 | 172.2 | -168.9 | 0 | 111.8 | L1344 E1345 E1346 Q1352 | L1344-K1348 WeakPolarHBondContact O-CA 3.23Å; L1344-K1348 WeakPolarHBondContact O-CB 3.22Å; L1344-K1348 PolarHBondContact O-N 3.44Å; E1345-K1348 CarbonylContact O-C 3.53Å; E1345-K1348 PolarHBondContact O-N 2.96Å; E1346-K1348 VanDerWaalsContact C-N 3.33Å; K1348-Q1352 VanDerWaalsContact O-CB 3.23Å; K1348-Q1352 WeakPolarHBondContact O-CB 3.5Å; K1348-Q1352 WeakPolarHBondContact O-CG 3.16Å; K1348-Q1352 PolarHBondContact O-N 3.29Å |
| 1349 | Q | 69.7 | Low | 68.3 | Low | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 172.1 | -82.4 | -170.9 | 10.5 | 0 | 0 | 111.6 | E1345 E1346 Q1352 K1353 | E1345-Q1349 WeakPolarHBondContact O-CB 3.36Å; E1345-Q1349 WeakPolarHBondContact O-CG 3.42Å; E1345-Q1349 PolarHBondContact O-N 3.02Å; E1346-Q1349 PolarHBondContact O-N 3.13Å; Q1349-Q1352 CarbonylContact O-C 3.41Å; Q1349-Q1352 PolarHBondContact O-N 3.11Å; Q1349-K1353 WeakPolarHBondContact O-CB 3.28Å; Q1349-K1353 WeakPolarHBondContact O-CG 3.36Å; Q1349-K1353 PolarHBondContact O-N 2.88Å |
| 1350 | N | 71.3 | Confident | 67.9 | Low | 90 Ų | 90 | 103.7 Ų | 103.7 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 173.4 | -81 | -23.1 | 0 | 0 | 0 | 111.7 | E1346 K1353 Q1354 | E1346-N1350 VanDerWaalsContact O-CB 3.23Å; E1346-N1350 WeakPolarHBondContact O-CB 3.19Å; E1346-N1350 PolarHBondContact O-N 3.15Å; N1350-K1353 PolarHBondContact O-N 3.15Å; N1350-Q1354 WeakPolarHBondContact O-CB 3.03Å; N1350-Q1354 PolarHBondContact O-N 3.06Å |
| 1351 | S | 64.7 | Low | 67.7 | Low | 61 Ų | 61 | 103.2 Ų | 103.2 | 43% | 0.427 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.9 | -34.4 | 170.6 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | A1347 Q1354 V1355 | A1347-S1351 WeakPolarHBondContact O-CA 3.45Å; A1347-S1351 WeakPolarHBondContact O-CB 3.26Å; A1347-S1351 PolarHBondContact O-N 3.43Å; A1347-S1351 PolarHBondContact O-OG 3.4Å; S1351-Q1354 PolarHBondContact O-N 3.07Å; S1351-V1355 WeakPolarHBondContact O-CB 3.28Å; S1351-V1355 WeakPolarHBondContact O-CG2 3.47Å; S1351-V1355 PolarHBondContact O-N 3.02Å |
| 1352 | Q | 64.8 | Low | 67.2 | Low | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 171.2 | -89.4 | -178.2 | -67.7 | 0 | 0 | 111.6 | K1348 Q1349 Q1356 | K1348-Q1352 VanDerWaalsContact O-CB 3.23Å; K1348-Q1352 WeakPolarHBondContact O-CB 3.5Å; K1348-Q1352 WeakPolarHBondContact O-CG 3.16Å; K1348-Q1352 PolarHBondContact O-N 3.29Å; Q1349-Q1352 CarbonylContact O-C 3.41Å; Q1349-Q1352 PolarHBondContact O-N 3.11Å; Q1352-Q1356 VanDerWaalsContact O-CB 3.25Å; Q1352-Q1356 WeakPolarHBondContact O-CB 3.32Å; Q1352-Q1356 WeakPolarHBondContact O-CG 3.43Å; Q1352-Q1356 PolarHBondContact O-N 2.98Å |
| 1353 | K | 70.8 | Confident | 66.7 | Low | 130 Ų | 130 | 102.7 Ų | 102.7 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -39.7 | 172.4 | -77.3 | 176.5 | -179.8 | 173.6 | 0 | 111.8 | Q1349 N1350 L1357 | Q1349-K1353 WeakPolarHBondContact O-CB 3.28Å; Q1349-K1353 WeakPolarHBondContact O-CG 3.36Å; Q1349-K1353 PolarHBondContact O-N 2.88Å; N1350-K1353 PolarHBondContact O-N 3.15Å; K1353-L1357 WeakPolarHBondContact O-CB 3.32Å; K1353-L1357 PolarHBondContact O-N 3.34Å |
| 1354 | Q | 68.9 | Low | 66.2 | Low | 129 Ų | 129 | 102.6 Ų | 102.6 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.3 | -36.8 | 172.2 | -103.2 | -178 | -2.7 | 0 | 0 | 112 | N1350 S1351 L1358 | N1350-Q1354 WeakPolarHBondContact O-CB 3.03Å; N1350-Q1354 PolarHBondContact O-N 3.06Å; S1351-Q1354 PolarHBondContact O-N 3.07Å; Q1354-L1358 WeakPolarHBondContact O-CB 3.25Å; Q1354-L1358 WeakPolarHBondContact O-CD1 3.46Å; Q1354-L1358 WeakPolarHBondContact O-CG 3.46Å; Q1354-L1358 PolarHBondContact O-N 3.33Å |
| 1355 | V | 63.6 | Low | 65.5 | Low | 74 Ų | 74 | 103.5 Ų | 103.5 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.9 | -35.7 | 175.6 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | S1351 Q1359 | S1351-V1355 WeakPolarHBondContact O-CB 3.28Å; S1351-V1355 WeakPolarHBondContact O-CG2 3.47Å; S1351-V1355 PolarHBondContact O-N 3.02Å; V1355-Q1359 HydrophobicContact CG1-CG 4.35Å; V1355-Q1359 WeakPolarHBondContact O-CA 3.43Å; V1355-Q1359 WeakPolarHBondContact O-CB 3.48Å; V1355-Q1359 WeakPolarHBondContact O-CG 3.26Å; V1355-Q1359 PolarHBondContact O-N 3.43Å; V1355-Q1359 PolarHBondContact O-OE1 3.38Å |
| 1356 | Q | 65.5 | Low | 64.8 | Low | 121 Ų | 121 | 105.4 Ų | 105.4 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.7 | -41.9 | 170.6 | -82.1 | 179.9 | -19.5 | 0 | 0 | 111.5 | Q1352 Q1359 T1360 | Q1352-Q1356 VanDerWaalsContact O-CB 3.25Å; Q1352-Q1356 WeakPolarHBondContact O-CB 3.32Å; Q1352-Q1356 WeakPolarHBondContact O-CG 3.43Å; Q1352-Q1356 PolarHBondContact O-N 2.98Å; Q1356-Q1359 PolarHBondContact O-N 3.28Å; Q1356-T1360 WeakPolarHBondContact O-CB 3.49Å; Q1356-T1360 PolarHBondContact O-N 3.44Å; Q1356-T1360 PolarHBondContact O-OG1 2.9Å |
| 1357 | L | 71.7 | Confident | 64 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.1 | -169.6 | 72.2 | 0 | 0 | 0 | 111.2 | K1353 T1360 Q1361 | K1353-L1357 WeakPolarHBondContact O-CB 3.32Å; K1353-L1357 PolarHBondContact O-N 3.34Å; L1357-T1360 PolarHBondContact O-N 2.92Å; L1357-Q1361 WeakPolarHBondContact O-CB 3.45Å; L1357-Q1361 VanDerWaalsContact O-CG 3.27Å; L1357-Q1361 WeakPolarHBondContact O-CG 3.42Å; L1357-Q1361 PolarHBondContact O-N 2.87Å |
| 1358 | L | 66.5 | Low | 63 | Low | 103 Ų | 103 | 114.7 Ų | 114.7 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.9 | -31.3 | 172.5 | -74.5 | 166.9 | 0 | 0 | 0 | 111.9 | Q1354 L1362 | Q1354-L1358 WeakPolarHBondContact O-CB 3.25Å; Q1354-L1358 WeakPolarHBondContact O-CD1 3.46Å; Q1354-L1358 WeakPolarHBondContact O-CG 3.46Å; Q1354-L1358 PolarHBondContact O-N 3.33Å; L1358-L1362 WeakPolarHBondContact O-CA 3.39Å; L1358-L1362 WeakPolarHBondContact O-CB 3.18Å; L1358-L1362 PolarHBondContact O-N 2.61Å |
| 1359 | Q | 61.5 | Low | 62 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.7 | -31.4 | 172.9 | -85 | 166.7 | -34 | 0 | 0 | 111.8 | V1355 Q1356 N1363 | V1355-Q1359 HydrophobicContact CG1-CG 4.35Å; V1355-Q1359 WeakPolarHBondContact O-CA 3.43Å; V1355-Q1359 WeakPolarHBondContact O-CB 3.48Å; V1355-Q1359 WeakPolarHBondContact O-CG 3.26Å; V1355-Q1359 PolarHBondContact O-N 3.43Å; V1355-Q1359 PolarHBondContact O-OE1 3.38Å; Q1356-Q1359 PolarHBondContact O-N 3.28Å; Q1359-N1363 WeakPolarHBondContact O-CB 3.38Å; Q1359-N1363 PolarHBondContact O-N 3.03Å; Q1359-N1363 PolarHBondContact O-ND2 3.34Å |
| 1360 | T | 64.8 | Low | 60.5 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.2 | -43 | 173.3 | -36.6 | 0 | 0 | 0 | 0 | 110.2 | Q1356 L1357 N1363 E1364 | Q1356-T1360 WeakPolarHBondContact O-CB 3.49Å; Q1356-T1360 PolarHBondContact O-N 3.44Å; Q1356-T1360 PolarHBondContact O-OG1 2.9Å; L1357-T1360 PolarHBondContact O-N 2.92Å; T1360-N1363 PolarHBondContact O-N 3.18Å; T1360-E1364 WeakPolarHBondContact O-CB 3.31Å; T1360-E1364 WeakPolarHBondContact O-CG 3.22Å; T1360-E1364 PolarHBondContact O-N 3.24Å |
| 1361 | Q | 67.8 | Low | 59 | Low | 95 Ų | 95 | 123 Ų | 123 | 44% | 0.444 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.3 | -34.1 | 174.3 | -72.2 | 176.6 | -11.9 | 0 | 0 | 113 | L1357 M1365 | L1357-Q1361 WeakPolarHBondContact O-CB 3.45Å; L1357-Q1361 VanDerWaalsContact O-CG 3.27Å; L1357-Q1361 WeakPolarHBondContact O-CG 3.42Å; L1357-Q1361 PolarHBondContact O-N 2.87Å; Q1361-M1365 VanDerWaalsContact O-CB 3.29Å; Q1361-M1365 WeakPolarHBondContact O-CB 3.42Å; Q1361-M1365 WeakPolarHBondContact O-CG 3.07Å; Q1361-M1365 PolarHBondContact O-N 3.47Å |
| 1362 | L | 56.1 | Low | 57.9 | Low | 92 Ų | 92 | 126.7 Ų | 126.7 | 48% | 0.482 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -76.3 | -31.5 | 175 | -164.2 | 95 | 0 | 0 | 0 | 111 | L1358 K1366 | L1358-L1362 WeakPolarHBondContact O-CA 3.39Å; L1358-L1362 WeakPolarHBondContact O-CB 3.18Å; L1358-L1362 PolarHBondContact O-N 2.61Å; L1362-K1366 HydrophobicContact CD2-CD 4.24Å; L1362-K1366 HydrophobicContact CG-CD 4.31Å; L1362-K1366 HydrophobicContact CG-CG 4.49Å; L1362-K1366 WeakPolarHBondContact O-CB 3.41Å; L1362-K1366 WeakPolarHBondContact O-CG 3.18Å; L1362-K1366 PolarHBondContact O-N 2.79Å |
| 1363 | N | 58.9 | Low | 57.3 | Low | 104 Ų | 104 | 126.7 Ų | 126.7 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74 | -32.5 | 171.2 | -77.4 | -15.6 | 0 | 0 | 0 | 112.1 | Q1359 T1360 K1367 | Q1359-N1363 WeakPolarHBondContact O-CB 3.38Å; Q1359-N1363 PolarHBondContact O-N 3.03Å; Q1359-N1363 PolarHBondContact O-ND2 3.34Å; T1360-N1363 PolarHBondContact O-N 3.18Å; N1363-K1367 WeakPolarHBondContact O-CB 3.12Å; N1363-K1367 PolarHBondContact O-N 3.11Å; N1363-K1367 VanDerWaalsContact O-N 3.12Å |
| 1364 | E | 61.1 | Low | 56.4 | Low | 134 Ų | 134 | 124.6 Ų | 124.6 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.4 | -32.2 | 170.3 | -77.5 | -177.6 | 158 | 0 | 0 | 113.2 | T1360 | T1360-E1364 WeakPolarHBondContact O-CB 3.31Å; T1360-E1364 WeakPolarHBondContact O-CG 3.22Å; T1360-E1364 PolarHBondContact O-N 3.24Å |
| 1365 | M | 52.2 | Low | 55.8 | Low | 138 Ų | 138 | 127.1 Ų | 127.1 | 68% | 0.68 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80.2 | -30.8 | 174 | -73.9 | -70.2 | -73.5 | 0 | 0 | 113.1 | Q1361 K1368 | Q1361-M1365 VanDerWaalsContact O-CB 3.29Å; Q1361-M1365 WeakPolarHBondContact O-CB 3.42Å; Q1361-M1365 WeakPolarHBondContact O-CG 3.07Å; Q1361-M1365 PolarHBondContact O-N 3.47Å; M1365-K1368 PolarHBondContact O-N 3.17Å |
| 1366 | K | 50.7 | Low | 55.5 | Low | 132 Ų | 132 | 131 Ų | 131 | 57% | 0.574 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.5 | -30.5 | 173.5 | -80.2 | 179.3 | 172.8 | -171 | 0 | 112.7 | L1362 K1368 | L1362-K1366 HydrophobicContact CD2-CD 4.24Å; L1362-K1366 HydrophobicContact CG-CD 4.31Å; L1362-K1366 HydrophobicContact CG-CG 4.49Å; L1362-K1366 WeakPolarHBondContact O-CB 3.41Å; L1362-K1366 WeakPolarHBondContact O-CG 3.18Å; L1362-K1366 PolarHBondContact O-N 2.79Å; K1366-K1368 PolarHBondContact O-N 3.14Å |
| 1367 | K | 53.7 | Low | 54.9 | Low | 188 Ų | 188 | 131 Ų | 131 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 1.7 | 173.8 | -131.6 | 176.7 | -176.8 | -178.2 | 0 | 114.2 | N1363 | N1363-K1367 WeakPolarHBondContact O-CB 3.12Å; N1363-K1367 PolarHBondContact O-N 3.11Å; N1363-K1367 VanDerWaalsContact O-N 3.12Å |
| 1368 | K | 50.9 | Low | 54.3 | Low | 180 Ų | 180 | 131.8 Ų | 131.8 | 78% | 0.783 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 4.7 | -178.3 | -82.3 | -176 | 176.1 | 175.2 | 0 | 115.2 | M1365 K1366 | M1365-K1368 PolarHBondContact O-N 3.17Å; K1366-K1368 PolarHBondContact O-N 3.14Å |
| 1369 | N | 47.4 | Very low | 53.9 | Low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | trans | -144.1 | 34 | -174.6 | -148.5 | 37.1 | 0 | 0 | 0 | 115.2 | ||||
| 1370 | E | 37.4 | Very low | 54 | Low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | trans | -80.1 | 110.9 | 168.5 | -73.6 | 178.6 | 169.2 | 0 | 0 | 109.7 | ||||
| 1371 | E | 40.2 | Very low | 54.1 | Low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | trans | -166 | 111.8 | 146.5 | -107.6 | 167 | -155.6 | 0 | 0 | 110.7 | ||||
| 1372 | V | 41.4 | Very low | 54 | Low | 138 Ų | 138 | 136.6 Ų | 136.6 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 76 | 111.5 | 153.1 | -165.5 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1373 | S | 51.4 | Low | 54.6 | Low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | trans | 103.8 | 39.2 | 153.5 | -157.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1374 | V | 53.5 | Low | 55.1 | Low | 87 Ų | 87 | 136.8 Ų | 136.8 | 53% | 0.527 | 68% | 0.682 | S | S | . | * | trans | -111.7 | -15.9 | -175.2 | 178.3 | 0 | 0 | 0 | 0 | 117.3 | L1376 L1377 E1378 | V1374-L1376 PolarHBondContact O-N 3.28Å; V1374-L1377 PolarHBondContact O-N 3.17Å; V1374-L1377 VanDerWaalsContact O-N 3.12Å; V1374-E1378 HydrophobicContact CG1-CG 3.84Å; V1374-E1378 PolarHBondContact O-N 3.08Å | ||
| 1375 | E | 56.5 | Low | 55.7 | Low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.9 | -31.2 | -174.4 | -85.7 | -178.8 | 150.1 | 0 | 0 | 115.5 | ||
| 1376 | L | 55.8 | Low | 56.7 | Low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.9 | -18.2 | 177.4 | -110.2 | 134.4 | 0 | 0 | 0 | 113.7 | V1374 V1380 | V1374-L1376 PolarHBondContact O-N 3.28Å; L1376-V1380 WeakPolarHBondContact O-CG2 3.48Å |
| 1377 | L | 54.1 | Low | 57.8 | Low | 122 Ų | 122 | 136.8 Ų | 136.8 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -90 | -28.4 | 178.5 | -86.1 | 163.7 | 0 | 0 | 0 | 112.6 | V1374 K1381 | V1374-L1377 PolarHBondContact O-N 3.17Å; V1374-L1377 VanDerWaalsContact O-N 3.12Å; L1377-K1381 VanDerWaalsContact O-CB 3.24Å; L1377-K1381 WeakPolarHBondContact O-CB 3.49Å; L1377-K1381 PolarHBondContact O-N 2.83Å |
| 1378 | E | 57.8 | Low | 58.8 | Low | 117 Ų | 117 | 131.6 Ų | 131.6 | 55% | 0.547 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72 | -32.6 | 176.1 | -83.1 | -169.5 | 155.5 | 0 | 0 | 113.5 | V1374 K1381 K1382 | V1374-E1378 HydrophobicContact CG1-CG 3.84Å; V1374-E1378 PolarHBondContact O-N 3.08Å; E1378-K1381 PolarHBondContact O-N 3.08Å; E1378-K1382 WeakPolarHBondContact O-CB 3.44Å; E1378-K1382 PolarHBondContact O-N 2.88Å |
| 1379 | D | 59.2 | Low | 60 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 60% | 0.604 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.5 | -37.8 | 175.6 | -105.9 | 7.3 | 0 | 0 | 0 | 112.7 | K1383 | D1379-K1383 PolarHBondContact O-N 3.38Å |
| 1380 | V | 62.9 | Low | 61.5 | Low | 92 Ų | 92 | 125 Ų | 125 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.7 | -38.4 | 172.3 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | L1376 K1383 A1384 | L1376-V1380 WeakPolarHBondContact O-CG2 3.48Å; V1380-K1383 PolarHBondContact O-N 3.38Å; V1380-A1384 VanDerWaalsContact O-CB 3.3Å; V1380-A1384 WeakPolarHBondContact O-CB 3.16Å; V1380-A1384 PolarHBondContact O-N 3.33Å |
| 1381 | K | 66.4 | Low | 63.4 | Low | 141 Ų | 141 | 121.5 Ų | 121.5 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.3 | -42 | 175.7 | -170.1 | 178.2 | 177.5 | -177.6 | 0 | 112.1 | L1377 E1378 A1384 Q1385 | L1377-K1381 VanDerWaalsContact O-CB 3.24Å; L1377-K1381 WeakPolarHBondContact O-CB 3.49Å; L1377-K1381 PolarHBondContact O-N 2.83Å; E1378-K1381 PolarHBondContact O-N 3.08Å; K1381-A1384 PolarHBondContact O-N 2.87Å; K1381-Q1385 VanDerWaalsContact O-CB 3.23Å; K1381-Q1385 WeakPolarHBondContact O-CB 3.13Å; K1381-Q1385 PolarHBondContact O-N 2.93Å |
| 1382 | K | 66.7 | Low | 65.2 | Low | 142 Ų | 142 | 118.9 Ų | 118.9 | 62% | 0.617 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.3 | -38.2 | 174.1 | -90.4 | 179.3 | 177.8 | 168.8 | 0 | 112.8 | E1378 K1386 | E1378-K1382 WeakPolarHBondContact O-CB 3.44Å; E1378-K1382 PolarHBondContact O-N 2.88Å; K1382-K1386 WeakPolarHBondContact O-CB 3.48Å; K1382-K1386 PolarHBondContact O-N 3.22Å |
| 1383 | K | 69.3 | Low | 67.1 | Low | 155 Ų | 155 | 119 Ų | 119 | 67% | 0.674 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.7 | -47.9 | 172.3 | -90.4 | -178.6 | 174.3 | 175.4 | 0 | 112 | D1379 V1380 Q1385 K1386 E1387 | D1379-K1383 PolarHBondContact O-N 3.38Å; V1380-K1383 PolarHBondContact O-N 3.38Å; K1383-Q1385 VanDerWaalsContact C-N 3.3Å; K1383-Q1385 PolarHBondContact O-N 3.06Å; K1383-K1386 PolarHBondContact O-N 3.46Å; K1383-E1387 PolarHBondContact O-N 3.32Å |
| 1384 | A | 68.6 | Low | 68.5 | Low | 44 Ų | 44 | 116.3 Ų | 116.3 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.3 | -35.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1380 K1381 E1387 V1388 | V1380-A1384 VanDerWaalsContact O-CB 3.3Å; V1380-A1384 WeakPolarHBondContact O-CB 3.16Å; V1380-A1384 PolarHBondContact O-N 3.33Å; K1381-A1384 PolarHBondContact O-N 2.87Å; A1384-E1387 PolarHBondContact O-N 2.85Å; A1384-V1388 WeakPolarHBondContact O-CB 3.25Å; A1384-V1388 WeakPolarHBondContact O-CG2 3.48Å; A1384-V1388 PolarHBondContact O-N 3.36Å |
| 1385 | Q | 73 | Confident | 69.8 | Low | 111 Ų | 111 | 117.1 Ų | 117.1 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73 | -37.2 | 178.1 | -147.2 | 165.3 | -5.8 | 0 | 0 | 111.9 | K1381 K1383 V1388 E1389 | K1381-Q1385 VanDerWaalsContact O-CB 3.23Å; K1381-Q1385 WeakPolarHBondContact O-CB 3.13Å; K1381-Q1385 PolarHBondContact O-N 2.93Å; K1383-Q1385 VanDerWaalsContact C-N 3.3Å; K1383-Q1385 PolarHBondContact O-N 3.06Å; Q1385-V1388 PolarHBondContact O-N 2.87Å; Q1385-E1389 WeakPolarHBondContact O-CB 3.23Å; Q1385-E1389 WeakPolarHBondContact O-CG 3.27Å; Q1385-E1389 PolarHBondContact O-N 3.05Å |
| 1386 | K | 74.2 | Confident | 71 | Confident | 160 Ų | 160 | 113.5 Ų | 113.5 | 70% | 0.696 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.3 | -39.5 | 169.4 | -85.1 | -175.4 | 174.6 | -178.7 | 0 | 112.6 | K1382 K1383 A1390 | K1382-K1386 WeakPolarHBondContact O-CB 3.48Å; K1382-K1386 PolarHBondContact O-N 3.22Å; K1383-K1386 PolarHBondContact O-N 3.46Å; K1386-A1390 VanDerWaalsContact O-CB 3.26Å; K1386-A1390 WeakPolarHBondContact O-CB 3.41Å; K1386-A1390 PolarHBondContact O-N 3.5Å |
| 1387 | E | 73.5 | Confident | 72.2 | Confident | 134 Ų | 134 | 110.1 Ų | 110.1 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.5 | -41.3 | 174.6 | -77.6 | 178.4 | 176.6 | 0 | 0 | 111.5 | K1383 A1384 A1390 V1391 | K1383-E1387 PolarHBondContact O-N 3.32Å; A1384-E1387 PolarHBondContact O-N 2.85Å; E1387-A1390 PolarHBondContact O-N 3.19Å; E1387-V1391 WeakPolarHBondContact O-CB 3.26Å; E1387-V1391 VanDerWaalsContact O-CG2 3.25Å; E1387-V1391 WeakPolarHBondContact O-CG2 3.16Å; E1387-V1391 PolarHBondContact O-N 3.08Å |
| 1388 | V | 74.3 | Confident | 73.5 | Confident | 78 Ų | 78 | 109 Ų | 109 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -39.6 | 175.5 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | A1384 Q1385 K1392 | A1384-V1388 WeakPolarHBondContact O-CB 3.25Å; A1384-V1388 WeakPolarHBondContact O-CG2 3.48Å; A1384-V1388 PolarHBondContact O-N 3.36Å; Q1385-V1388 PolarHBondContact O-N 2.87Å; V1388-K1392 HydrophobicContact CG1-CD 4.36Å; V1388-K1392 WeakPolarHBondContact O-CB 3.4Å; V1388-K1392 WeakPolarHBondContact O-CG 3.49Å; V1388-K1392 PolarHBondContact O-N 3.18Å |
| 1389 | E | 77.2 | Confident | 74.7 | Confident | 130 Ų | 130 | 108.2 Ų | 108.2 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.7 | -38.5 | 173.6 | -79 | -177.9 | 173 | 0 | 0 | 112.3 | Q1385 K1392 K1393 | Q1385-E1389 WeakPolarHBondContact O-CB 3.23Å; Q1385-E1389 WeakPolarHBondContact O-CG 3.27Å; Q1385-E1389 PolarHBondContact O-N 3.05Å; E1389-K1392 PolarHBondContact O-N 3.37Å; E1389-K1393 WeakPolarHBondContact O-CB 3.24Å; E1389-K1393 PolarHBondContact O-N 2.77Å |
| 1390 | A | 78.1 | Confident | 75.7 | Confident | 59 Ų | 59 | 105 Ų | 105 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1386 E1387 K1393 A1394 | K1386-A1390 VanDerWaalsContact O-CB 3.26Å; K1386-A1390 WeakPolarHBondContact O-CB 3.41Å; K1386-A1390 PolarHBondContact O-N 3.5Å; E1387-A1390 PolarHBondContact O-N 3.19Å; A1390-K1393 PolarHBondContact O-N 3.06Å; A1390-A1394 WeakPolarHBondContact O-CB 3.22Å; A1390-A1394 PolarHBondContact O-N 3.23Å |
| 1391 | V | 77.8 | Confident | 76.5 | Confident | 99 Ų | 99 | 106 Ų | 106 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | E1387 A1394 L1395 | E1387-V1391 WeakPolarHBondContact O-CB 3.26Å; E1387-V1391 VanDerWaalsContact O-CG2 3.25Å; E1387-V1391 WeakPolarHBondContact O-CG2 3.16Å; E1387-V1391 PolarHBondContact O-N 3.08Å; V1391-A1394 PolarHBondContact O-N 3.26Å; V1391-L1395 WeakPolarHBondContact O-CB 3.2Å; V1391-L1395 PolarHBondContact O-N 3.41Å |
| 1392 | K | 78.2 | Confident | 77.2 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | 174.2 | -81.4 | -177.8 | 178.1 | -177.1 | 0 | 112.2 | V1388 E1389 L1395 I1396 | V1388-K1392 HydrophobicContact CG1-CD 4.36Å; V1388-K1392 WeakPolarHBondContact O-CB 3.4Å; V1388-K1392 WeakPolarHBondContact O-CG 3.49Å; V1388-K1392 PolarHBondContact O-N 3.18Å; E1389-K1392 PolarHBondContact O-N 3.37Å; K1392-L1395 PolarHBondContact O-N 3.23Å; K1392-I1396 VanDerWaalsContact O-CG1 3.28Å; K1392-I1396 WeakPolarHBondContact O-CG1 3.25Å; K1392-I1396 PolarHBondContact O-N 2.82Å |
| 1393 | K | 81.2 | Confident | 77.8 | Confident | 140 Ų | 140 | 101.9 Ų | 101.9 | 61% | 0.609 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -45.2 | 175 | -174.3 | 178.6 | 176.3 | -174.5 | 0 | 110.9 | E1389 A1390 L1395 I1396 D1397 | E1389-K1393 WeakPolarHBondContact O-CB 3.24Å; E1389-K1393 PolarHBondContact O-N 2.77Å; A1390-K1393 PolarHBondContact O-N 3.06Å; K1393-L1395 VanDerWaalsContact C-N 3.31Å; K1393-L1395 PolarHBondContact O-N 3.17Å; K1393-I1396 PolarHBondContact O-N 3.46Å; K1393-D1397 WeakPolarHBondContact O-CB 3.29Å; K1393-D1397 VanDerWaalsContact O-CG 3.23Å; K1393-D1397 PolarHBondContact O-N 2.75Å |
| 1394 | A | 81.2 | Confident | 78.2 | Confident | 51 Ų | 51 | 103.1 Ų | 103.1 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1390 V1391 V1398 | A1390-A1394 WeakPolarHBondContact O-CB 3.22Å; A1390-A1394 PolarHBondContact O-N 3.23Å; V1391-A1394 PolarHBondContact O-N 3.26Å; A1394-V1398 WeakPolarHBondContact O-CB 3.41Å; A1394-V1398 WeakPolarHBondContact O-CG2 3.24Å; A1394-V1398 PolarHBondContact O-N 3.15Å |
| 1395 | L | 79.2 | Confident | 78.5 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 175.8 | -159 | 93.5 | 0 | 0 | 0 | 111.7 | V1391 K1392 K1393 V1398 E1399 | V1391-L1395 WeakPolarHBondContact O-CB 3.2Å; V1391-L1395 PolarHBondContact O-N 3.41Å; K1392-L1395 PolarHBondContact O-N 3.23Å; K1393-L1395 VanDerWaalsContact C-N 3.31Å; K1393-L1395 PolarHBondContact O-N 3.17Å; L1395-V1398 PolarHBondContact O-N 2.82Å; L1395-E1399 WeakPolarHBondContact O-CB 3.42Å; L1395-E1399 WeakPolarHBondContact O-CG 3.38Å; L1395-E1399 PolarHBondContact O-N 3.28Å |
| 1396 | I | 83.5 | Confident | 78.7 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.4 | -69.8 | 166.3 | 0 | 0 | 0 | 110.6 | K1392 K1393 E1399 A1400 | K1392-I1396 VanDerWaalsContact O-CG1 3.28Å; K1392-I1396 WeakPolarHBondContact O-CG1 3.25Å; K1392-I1396 PolarHBondContact O-N 2.82Å; K1393-I1396 PolarHBondContact O-N 3.46Å; I1396-E1399 PolarHBondContact O-N 3.09Å; I1396-A1400 WeakPolarHBondContact O-CB 3.28Å; I1396-A1400 PolarHBondContact O-N 3.35Å |
| 1397 | D | 80.3 | Confident | 78.8 | Confident | 86 Ų | 86 | 108 Ų | 108 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 177 | -70.2 | -20.1 | 0 | 0 | 0 | 110.1 | K1393 A1400 E1401 | K1393-D1397 WeakPolarHBondContact O-CB 3.29Å; K1393-D1397 VanDerWaalsContact O-CG 3.23Å; K1393-D1397 PolarHBondContact O-N 2.75Å; D1397-A1400 PolarHBondContact O-N 3.23Å; D1397-E1401 WeakPolarHBondContact O-CB 3.47Å; D1397-E1401 PolarHBondContact O-N 2.89Å |
| 1398 | V | 81.9 | Confident | 78.6 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | A1394 L1395 E1401 R1402 | A1394-V1398 WeakPolarHBondContact O-CB 3.41Å; A1394-V1398 WeakPolarHBondContact O-CG2 3.24Å; A1394-V1398 PolarHBondContact O-N 3.15Å; L1395-V1398 PolarHBondContact O-N 2.82Å; V1398-E1401 PolarHBondContact O-N 2.76Å; V1398-R1402 VanDerWaalsContact O-CB 3.22Å; V1398-R1402 WeakPolarHBondContact O-CB 3.4Å; V1398-R1402 PolarHBondContact O-N 2.78Å |
| 1399 | E | 82.1 | Confident | 78.7 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 174.1 | -83.5 | -175.2 | 162.6 | 0 | 0 | 111.8 | L1395 I1396 R1402 N1403 | L1395-E1399 WeakPolarHBondContact O-CB 3.42Å; L1395-E1399 WeakPolarHBondContact O-CG 3.38Å; L1395-E1399 PolarHBondContact O-N 3.28Å; I1396-E1399 PolarHBondContact O-N 3.09Å; E1399-R1402 PolarHBondContact O-N 3.48Å; E1399-N1403 WeakPolarHBondContact O-CB 3.38Å; E1399-N1403 PolarHBondContact O-N 3.18Å; E1399-N1403 PolarHBondContact O-ND2 2.81Å; E1399-N1403 VanDerWaalsContact O-ND2 3.16Å |
| 1400 | A | 80.5 | Confident | 78.6 | Confident | 44 Ų | 44 | 105.1 Ų | 105.1 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1396 D1397 N1403 R1404 | I1396-A1400 WeakPolarHBondContact O-CB 3.28Å; I1396-A1400 PolarHBondContact O-N 3.35Å; D1397-A1400 PolarHBondContact O-N 3.23Å; A1400-N1403 PolarHBondContact O-N 2.99Å; A1400-R1404 WeakPolarHBondContact O-CB 3.39Å; A1400-R1404 WeakPolarHBondContact O-CG 3.47Å; A1400-R1404 PolarHBondContact O-N 3.01Å |
| 1401 | E | 78.8 | Confident | 78.3 | Confident | 115 Ų | 115 | 108.2 Ų | 108.2 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 173.7 | -149.4 | 81.6 | -175.5 | 0 | 0 | 110.5 | D1397 V1398 N1403 R1404 M1405 | D1397-E1401 WeakPolarHBondContact O-CB 3.47Å; D1397-E1401 PolarHBondContact O-N 2.89Å; V1398-E1401 PolarHBondContact O-N 2.76Å; E1401-N1403 PolarHBondContact O-N 3.38Å; E1401-R1404 PolarHBondContact O-N 3.08Å; E1401-M1405 WeakPolarHBondContact O-CB 3.28Å; E1401-M1405 VanDerWaalsContact O-CG 3.29Å; E1401-M1405 WeakPolarHBondContact O-CG 3.47Å; E1401-M1405 PolarHBondContact O-N 2.66Å |
| 1402 | R | 81 | Confident | 78 | Confident | 133 Ų | 133 | 108 Ų | 108 | 50% | 0.502 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 175.4 | -170 | -168 | 78.7 | 81.2 | 14.1 | 111.1 | V1398 E1399 M1405 E1406 | V1398-R1402 VanDerWaalsContact O-CB 3.22Å; V1398-R1402 WeakPolarHBondContact O-CB 3.4Å; V1398-R1402 PolarHBondContact O-N 2.78Å; E1399-R1402 PolarHBondContact O-N 3.48Å; R1402-M1405 PolarHBondContact O-N 2.85Å; R1402-E1406 IonicContact CZ-OE2 2.7Å; R1402-E1406 VanDerWaalsContact CZ-OE2 3.3Å; R1402-E1406 IonicContact NH1-OE1 3.05Å; R1402-E1406 IonicContact NH1-OE2 3.3Å; R1402-E1406 PolarHBondContact NH1-OE2 3.4Å; R1402-E1406 IonicContact NH2-OE2 2.66Å; R1402-E1406 PolarHBondContact NH2-OE2 2.86Å; R1402-E1406 VanDerWaalsContact O-CB 3.23Å; R1402-E1406 WeakPolarHBondContact O-CB 3.39Å; R1402-E1406 PolarHBondContact O-N 3.5Å |
| 1403 | N | 81.1 | Confident | 77.7 | Confident | 63 Ų | 63 | 104.1 Ų | 104.1 | 34% | 0.337 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 177.9 | -71.3 | -22.9 | 0 | 0 | 0 | 111.7 | E1399 A1400 E1401 R1407 | E1399-N1403 WeakPolarHBondContact O-CB 3.38Å; E1399-N1403 PolarHBondContact O-N 3.18Å; E1399-N1403 PolarHBondContact O-ND2 2.81Å; E1399-N1403 VanDerWaalsContact O-ND2 3.16Å; A1400-N1403 PolarHBondContact O-N 2.99Å; E1401-N1403 PolarHBondContact O-N 3.38Å; N1403-R1407 VanDerWaalsContact O-CB 3.3Å; N1403-R1407 WeakPolarHBondContact O-CB 3.23Å; N1403-R1407 WeakPolarHBondContact O-CG 3.3Å; N1403-R1407 PolarHBondContact O-N 3.24Å |
| 1404 | R | 76.2 | Confident | 77.3 | Confident | 181 Ų | 181 | 102.8 Ų | 102.8 | 68% | 0.683 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 171.7 | -86.3 | -179.7 | 176.6 | 169.9 | -0.3 | 111.4 | A1400 E1401 R1407 S1408 | A1400-R1404 WeakPolarHBondContact O-CB 3.39Å; A1400-R1404 WeakPolarHBondContact O-CG 3.47Å; A1400-R1404 PolarHBondContact O-N 3.01Å; E1401-R1404 PolarHBondContact O-N 3.08Å; R1404-R1407 PolarHBondContact O-N 2.86Å; R1404-S1408 VanDerWaalsContact O-CB 3.32Å; R1404-S1408 WeakPolarHBondContact O-CB 3.28Å; R1404-S1408 PolarHBondContact O-N 2.74Å |
| 1405 | M | 74.8 | Confident | 76.5 | Confident | 132 Ų | 132 | 105.4 Ų | 105.4 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 176.7 | -71.9 | -62.1 | -70 | 0 | 0 | 111.8 | E1401 R1402 S1408 K1409 | E1401-M1405 WeakPolarHBondContact O-CB 3.28Å; E1401-M1405 VanDerWaalsContact O-CG 3.29Å; E1401-M1405 WeakPolarHBondContact O-CG 3.47Å; E1401-M1405 PolarHBondContact O-N 2.66Å; R1402-M1405 PolarHBondContact O-N 2.85Å; M1405-S1408 PolarHBondContact O-N 3.44Å; M1405-K1409 WeakPolarHBondContact O-CB 3.49Å; M1405-K1409 PolarHBondContact O-N 2.71Å |
| 1406 | E | 77.9 | Confident | 75.9 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 177.8 | -165.4 | 166.8 | -158.2 | 0 | 0 | 111.6 | R1402 K1410 | R1402-E1406 IonicContact CZ-OE2 2.7Å; R1402-E1406 VanDerWaalsContact CZ-OE2 3.3Å; R1402-E1406 IonicContact NH1-OE1 3.05Å; R1402-E1406 IonicContact NH1-OE2 3.3Å; R1402-E1406 PolarHBondContact NH1-OE2 3.4Å; R1402-E1406 IonicContact NH2-OE2 2.66Å; R1402-E1406 PolarHBondContact NH2-OE2 2.86Å; R1402-E1406 VanDerWaalsContact O-CB 3.23Å; R1402-E1406 WeakPolarHBondContact O-CB 3.39Å; R1402-E1406 PolarHBondContact O-N 3.5Å; E1406-K1410 WeakPolarHBondContact O-CB 3.42Å; E1406-K1410 PolarHBondContact O-N 3.4Å |
| 1407 | R | 75.8 | Confident | 75.5 | Confident | 193 Ų | 193 | 104.5 Ų | 104.5 | 73% | 0.728 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 169.9 | -75 | 176 | -170.4 | -171.9 | 3.4 | 112.2 | N1403 R1404 K1410 K1411 | N1403-R1407 VanDerWaalsContact O-CB 3.3Å; N1403-R1407 WeakPolarHBondContact O-CB 3.23Å; N1403-R1407 WeakPolarHBondContact O-CG 3.3Å; N1403-R1407 PolarHBondContact O-N 3.24Å; R1404-R1407 PolarHBondContact O-N 2.86Å; R1407-K1410 PolarHBondContact O-N 2.79Å; R1407-K1411 VanDerWaalsContact O-CB 3.29Å; R1407-K1411 WeakPolarHBondContact O-CB 3.36Å; R1407-K1411 PolarHBondContact O-N 2.77Å |
| 1408 | S | 70.4 | Confident | 75 | Confident | 60 Ų | 60 | 105.5 Ų | 105.5 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.5 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | R1404 M1405 K1411 I1412 | R1404-S1408 VanDerWaalsContact O-CB 3.32Å; R1404-S1408 WeakPolarHBondContact O-CB 3.28Å; R1404-S1408 PolarHBondContact O-N 2.74Å; M1405-S1408 PolarHBondContact O-N 3.44Å; S1408-K1411 PolarHBondContact O-N 3.48Å; S1408-I1412 WeakPolarHBondContact O-CB 3.46Å; S1408-I1412 VanDerWaalsContact O-CG1 3.26Å; S1408-I1412 WeakPolarHBondContact O-CG1 3.4Å; S1408-I1412 PolarHBondContact O-N 3.47Å |
| 1409 | K | 76 | Confident | 74 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 41% | 0.409 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 173.7 | -175.8 | -176.3 | 173.5 | -174.3 | 0 | 110.7 | D59 M1405 K1411 I1412 Q1413 | D59-K1409 IonicContact OD2-NZ 3.57Å; D59-K1409 PolarHBondContact OD2-NZ 2.75Å; M1405-K1409 WeakPolarHBondContact O-CB 3.49Å; M1405-K1409 PolarHBondContact O-N 2.71Å; K1409-K1411 PolarHBondContact O-N 3.39Å; K1409-I1412 PolarHBondContact O-N 3.3Å; K1409-Q1413 WeakPolarHBondContact O-CB 3.35Å; K1409-Q1413 WeakPolarHBondContact O-CG 3.26Å; K1409-Q1413 PolarHBondContact O-N 3.13Å |
| 1410 | K | 74.8 | Confident | 73.4 | Confident | 128 Ų | 128 | 102.4 Ų | 102.4 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.5 | -44.2 | 175.8 | -93.6 | -171.1 | 172.2 | -173.2 | 0 | 112.4 | E1406 R1407 Q1413 E1414 | E1406-K1410 WeakPolarHBondContact O-CB 3.42Å; E1406-K1410 PolarHBondContact O-N 3.4Å; R1407-K1410 PolarHBondContact O-N 2.79Å; K1410-Q1413 CarbonylContact O-C 3.59Å; K1410-Q1413 PolarHBondContact O-N 2.81Å; K1410-E1414 WeakPolarHBondContact O-CB 3.33Å; K1410-E1414 WeakPolarHBondContact O-CG 3.48Å; K1410-E1414 PolarHBondContact O-N 2.99Å |
| 1411 | K | 72.6 | Confident | 73 | Confident | 124 Ų | 124 | 105.4 Ų | 105.4 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 178.9 | -165.1 | -175.4 | -178.3 | -154.8 | 0 | 111.6 | R1407 S1408 K1409 Q1413 E1414 E1415 | R1407-K1411 VanDerWaalsContact O-CB 3.29Å; R1407-K1411 WeakPolarHBondContact O-CB 3.36Å; R1407-K1411 PolarHBondContact O-N 2.77Å; S1408-K1411 PolarHBondContact O-N 3.48Å; K1409-K1411 PolarHBondContact O-N 3.39Å; K1411-Q1413 VanDerWaalsContact C-N 3.35Å; K1411-E1414 PolarHBondContact O-N 2.75Å; K1411-E1415 WeakPolarHBondContact CE-OE1 3.37Å; K1411-E1415 IonicContact NZ-OE1 2.73Å; K1411-E1415 WeakPolarHBondContact O-CB 3.33Å; K1411-E1415 VanDerWaalsContact O-CG 3.29Å; K1411-E1415 WeakPolarHBondContact O-CG 3.41Å; K1411-E1415 PolarHBondContact O-N 3.42Å |
| 1412 | I | 70.1 | Confident | 72.5 | Confident | 95 Ų | 95 | 105 Ų | 105 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 174.5 | -68 | 167.5 | 0 | 0 | 0 | 110.9 | S1408 K1409 L1416 | S1408-I1412 WeakPolarHBondContact O-CB 3.46Å; S1408-I1412 VanDerWaalsContact O-CG1 3.26Å; S1408-I1412 WeakPolarHBondContact O-CG1 3.4Å; S1408-I1412 PolarHBondContact O-N 3.47Å; K1409-I1412 PolarHBondContact O-N 3.3Å; I1412-L1416 WeakPolarHBondContact O-CB 3.42Å; I1412-L1416 PolarHBondContact O-N 3.13Å |
| 1413 | Q | 72.4 | Confident | 71.5 | Confident | 50 Ų | 50 | 100.9 Ų | 100.9 | 23% | 0.234 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 174.6 | -82.4 | -177.9 | -34.5 | 0 | 0 | 112 | K1409 K1410 K1411 L1416 E1417 | K1409-Q1413 WeakPolarHBondContact O-CB 3.35Å; K1409-Q1413 WeakPolarHBondContact O-CG 3.26Å; K1409-Q1413 PolarHBondContact O-N 3.13Å; K1410-Q1413 CarbonylContact O-C 3.59Å; K1410-Q1413 PolarHBondContact O-N 2.81Å; K1411-Q1413 VanDerWaalsContact C-N 3.35Å; Q1413-L1416 PolarHBondContact O-N 3.39Å; Q1413-E1417 VanDerWaalsContact O-CB 3.29Å; Q1413-E1417 WeakPolarHBondContact O-CB 3.49Å; Q1413-E1417 VanDerWaalsContact O-CG 3.31Å; Q1413-E1417 WeakPolarHBondContact O-CG 3.36Å; Q1413-E1417 PolarHBondContact O-N 3.06Å |
| 1414 | E | 72.4 | Confident | 71 | Confident | 111 Ų | 111 | 101.2 Ų | 101.2 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 174.9 | -75.9 | 169.8 | -176.2 | 0 | 0 | 110.8 | K1410 K1411 L1416 E1417 D1418 | K1410-E1414 WeakPolarHBondContact O-CB 3.33Å; K1410-E1414 WeakPolarHBondContact O-CG 3.48Å; K1410-E1414 PolarHBondContact O-N 2.99Å; K1411-E1414 PolarHBondContact O-N 2.75Å; E1414-L1416 VanDerWaalsContact C-N 3.32Å; E1414-L1416 PolarHBondContact O-N 2.66Å; E1414-E1417 PolarHBondContact O-N 2.88Å; E1414-D1418 WeakPolarHBondContact O-CB 3.49Å; E1414-D1418 PolarHBondContact O-N 3.28Å |
| 1415 | E | 65.5 | Low | 70.8 | Confident | 107 Ų | 107 | 97.2 Ų | 97.2 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 175.8 | -74 | 172.9 | -170.1 | 0 | 0 | 112 | K1411 A1419 | K1411-E1415 WeakPolarHBondContact CE-OE1 3.37Å; K1411-E1415 IonicContact NZ-OE1 2.73Å; K1411-E1415 WeakPolarHBondContact O-CB 3.33Å; K1411-E1415 VanDerWaalsContact O-CG 3.29Å; K1411-E1415 WeakPolarHBondContact O-CG 3.41Å; K1411-E1415 PolarHBondContact O-N 3.42Å; E1415-A1419 WeakPolarHBondContact O-CB 3.28Å; E1415-A1419 PolarHBondContact O-N 3.45Å |
| 1416 | L | 67 | Low | 70.3 | Confident | 64 Ų | 64 | 94.9 Ų | 94.9 | 34% | 0.335 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 175.6 | -172.6 | 77.1 | 0 | 0 | 0 | 111.7 | I1412 Q1413 E1414 Q1420 | I1412-L1416 WeakPolarHBondContact O-CB 3.42Å; I1412-L1416 PolarHBondContact O-N 3.13Å; Q1413-L1416 PolarHBondContact O-N 3.39Å; E1414-L1416 VanDerWaalsContact C-N 3.32Å; E1414-L1416 PolarHBondContact O-N 2.66Å; L1416-Q1420 VanDerWaalsContact O-CB 3.29Å; L1416-Q1420 WeakPolarHBondContact O-CB 3.43Å; L1416-Q1420 WeakPolarHBondContact O-CG 3.36Å; L1416-Q1420 PolarHBondContact O-N 2.71Å |
| 1417 | E | 74 | Confident | 69.8 | Low | 124 Ų | 124 | 93.5 Ų | 93.5 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.7 | -46.6 | 177.7 | -79.2 | -175.9 | 174.9 | 0 | 0 | 111.2 | Q1413 E1414 Q1420 L1421 | Q1413-E1417 VanDerWaalsContact O-CB 3.29Å; Q1413-E1417 WeakPolarHBondContact O-CB 3.49Å; Q1413-E1417 VanDerWaalsContact O-CG 3.31Å; Q1413-E1417 WeakPolarHBondContact O-CG 3.36Å; Q1413-E1417 PolarHBondContact O-N 3.06Å; E1414-E1417 PolarHBondContact O-N 2.88Å; E1417-Q1420 PolarHBondContact O-N 2.92Å; E1417-L1421 VanDerWaalsContact O-CB 3.26Å; E1417-L1421 WeakPolarHBondContact O-CB 3.47Å; E1417-L1421 PolarHBondContact O-N 2.81Å |
| 1418 | D | 70.3 | Confident | 69.6 | Low | 108 Ų | 108 | 87.4 Ų | 87.4 | 58% | 0.578 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.7 | -48.3 | 174.7 | -82.8 | -12.2 | 0 | 0 | 0 | 110.7 | E1414 Q1420 L1421 E1422 | E1414-D1418 WeakPolarHBondContact O-CB 3.49Å; E1414-D1418 PolarHBondContact O-N 3.28Å; D1418-Q1420 VanDerWaalsContact C-N 3.3Å; D1418-Q1420 PolarHBondContact O-N 3.49Å; D1418-L1421 PolarHBondContact O-N 2.74Å; D1418-E1422 WeakPolarHBondContact O-CB 3.39Å; D1418-E1422 PolarHBondContact O-N 3.25Å |
| 1419 | A | 59.5 | Low | 69.6 | Low | 54 Ų | 54 | 86.3 Ų | 86.3 | 45% | 0.446 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1415 L1423 | E1415-A1419 WeakPolarHBondContact O-CB 3.28Å; E1415-A1419 PolarHBondContact O-N 3.45Å; A1419-L1423 WeakPolarHBondContact O-CB 3.42Å; A1419-L1423 PolarHBondContact O-N 3.29Å |
| 1420 | Q | 70.2 | Confident | 69 | Low | 79 Ų | 79 | 87.4 Ų | 87.4 | 37% | 0.369 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72 | -38.4 | 176.6 | -78.6 | -172.1 | 37.1 | 0 | 0 | 112.8 | L1416 E1417 D1418 S1424 | L1416-Q1420 VanDerWaalsContact O-CB 3.29Å; L1416-Q1420 WeakPolarHBondContact O-CB 3.43Å; L1416-Q1420 WeakPolarHBondContact O-CG 3.36Å; L1416-Q1420 PolarHBondContact O-N 2.71Å; E1417-Q1420 PolarHBondContact O-N 2.92Å; D1418-Q1420 VanDerWaalsContact C-N 3.3Å; D1418-Q1420 PolarHBondContact O-N 3.49Å; Q1420-S1424 VanDerWaalsContact O-CB 3.29Å; Q1420-S1424 WeakPolarHBondContact O-CB 3.26Å; Q1420-S1424 PolarHBondContact O-N 2.62Å |
| 1421 | L | 72.3 | Confident | 68.8 | Low | 107 Ų | 107 | 89.8 Ų | 89.8 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -72.3 | -43.3 | -178.7 | -158.6 | 140.8 | 0 | 0 | 0 | 110.4 | E1417 D1418 S1424 N1425 | E1417-L1421 VanDerWaalsContact O-CB 3.26Å; E1417-L1421 WeakPolarHBondContact O-CB 3.47Å; E1417-L1421 PolarHBondContact O-N 2.81Å; D1418-L1421 PolarHBondContact O-N 2.74Å; L1421-S1424 WeakPolarHBondContact O-CB 3.42Å; L1421-S1424 PolarHBondContact O-N 3.24Å; L1421-N1425 WeakPolarHBondContact O-CB 3.41Å; L1421-N1425 VanDerWaalsContact O-CG 3.31Å; L1421-N1425 PolarHBondContact O-N 3.46Å |
| 1422 | E | 67.7 | Low | 68.8 | Low | 108 Ų | 108 | 89.6 Ų | 89.6 | 51% | 0.505 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 170.3 | -77.5 | -166.7 | 153.9 | 0 | 0 | 112.1 | D1418 S1424 N1425 L1426 | D1418-E1422 WeakPolarHBondContact O-CB 3.39Å; D1418-E1422 PolarHBondContact O-N 3.25Å; E1422-S1424 VanDerWaalsContact C-N 3.25Å; E1422-S1424 PolarHBondContact O-N 3.11Å; E1422-N1425 PolarHBondContact O-N 2.99Å; E1422-L1426 WeakPolarHBondContact O-CB 3.46Å; E1422-L1426 PolarHBondContact O-N 2.6Å |
| 1423 | L | 60.4 | Low | 68.6 | Low | 45 Ų | 45 | 87 Ų | 87 | 24% | 0.236 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 176.9 | -168.2 | 85.7 | 0 | 0 | 0 | 111.5 | A1419 R1427 | A1419-L1423 WeakPolarHBondContact O-CB 3.42Å; A1419-L1423 PolarHBondContact O-N 3.29Å; L1423-R1427 WeakPolarHBondContact O-CB 3.34Å; L1423-R1427 WeakPolarHBondContact O-CD 3.27Å; L1423-R1427 WeakPolarHBondContact O-CG 3.47Å; L1423-R1427 PolarHBondContact O-N 2.95Å |
| 1424 | S | 71.6 | Confident | 68.4 | Low | 70 Ų | 70 | 88 Ų | 88 | 49% | 0.49 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.8 | -45.2 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | Q1420 L1421 E1422 R1427 S1428 | Q1420-S1424 VanDerWaalsContact O-CB 3.29Å; Q1420-S1424 WeakPolarHBondContact O-CB 3.26Å; Q1420-S1424 PolarHBondContact O-N 2.62Å; L1421-S1424 WeakPolarHBondContact O-CB 3.42Å; L1421-S1424 PolarHBondContact O-N 3.24Å; E1422-S1424 VanDerWaalsContact C-N 3.25Å; E1422-S1424 PolarHBondContact O-N 3.11Å; S1424-R1427 PolarHBondContact O-N 2.52Å; S1424-S1428 WeakPolarHBondContact O-CB 3.43Å; S1424-S1428 PolarHBondContact O-N 3.28Å |
| 1425 | N | 71.6 | Confident | 68.5 | Low | 97 Ų | 97 | 90.3 Ų | 90.3 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 176.7 | -74 | -13.6 | 0 | 0 | 0 | 111.5 | L1421 E1422 R1427 S1428 S1429 | L1421-N1425 WeakPolarHBondContact O-CB 3.41Å; L1421-N1425 VanDerWaalsContact O-CG 3.31Å; L1421-N1425 PolarHBondContact O-N 3.46Å; E1422-N1425 PolarHBondContact O-N 2.99Å; N1425-R1427 VanDerWaalsContact C-N 3.33Å; N1425-R1427 PolarHBondContact O-N 3.44Å; N1425-S1428 PolarHBondContact O-N 2.69Å; N1425-S1429 WeakPolarHBondContact O-CB 3.45Å; N1425-S1429 PolarHBondContact O-N 3.44Å |
| 1426 | L | 64.3 | Low | 68.9 | Low | 84 Ų | 84 | 91.7 Ų | 91.7 | 44% | 0.44 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 174.2 | -103.5 | 136.6 | 0 | 0 | 0 | 112.2 | E1422 H1430 | E1422-L1426 WeakPolarHBondContact O-CB 3.46Å; E1422-L1426 PolarHBondContact O-N 2.6Å; L1426-H1430 WeakPolarHBondContact O-CB 3.36Å; L1426-H1430 PolarHBondContact O-N 3.24Å |
| 1427 | R | 67.1 | Low | 68.9 | Low | 62 Ų | 62 | 92.4 Ų | 92.4 | 23% | 0.234 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 175.9 | -79 | 170.2 | -176.1 | -163.2 | -1.1 | 113 | T97 C98 L1423 S1424 N1425 R1431 | T97-R1427 HydrophobicContact CG2-CG 4.36Å; T97-R1427 PolarHBondContact O-NH2 2.71Å; C98-R1427 PolarHBondContact SG-NH2 3.43Å; L1423-R1427 WeakPolarHBondContact O-CB 3.34Å; L1423-R1427 WeakPolarHBondContact O-CD 3.27Å; L1423-R1427 WeakPolarHBondContact O-CG 3.47Å; L1423-R1427 PolarHBondContact O-N 2.95Å; S1424-R1427 PolarHBondContact O-N 2.52Å; N1425-R1427 VanDerWaalsContact C-N 3.33Å; N1425-R1427 PolarHBondContact O-N 3.44Å; R1427-R1431 WeakPolarHBondContact O-CB 3.46Å; R1427-R1431 WeakPolarHBondContact O-CG 3.14Å; R1427-R1431 PolarHBondContact O-N 2.8Å |
| 1428 | S | 72.2 | Confident | 68.9 | Low | 65 Ų | 65 | 94 Ų | 94 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -52.4 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 110 | S1424 N1425 H1430 R1431 E1432 | S1424-S1428 WeakPolarHBondContact O-CB 3.43Å; S1424-S1428 PolarHBondContact O-N 3.28Å; N1425-S1428 PolarHBondContact O-N 2.69Å; S1428-H1430 PolarHBondContact O-N 2.74Å; S1428-R1431 PolarHBondContact O-N 3.49Å; S1428-E1432 PolarHBondContact O-N 2.85Å |
| 1429 | S | 68.7 | Low | 69.2 | Low | 36 Ų | 36 | 97.9 Ų | 97.9 | 25% | 0.252 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.9 | -50.8 | 177.7 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | N1425 R1431 E1432 M1433 | N1425-S1429 WeakPolarHBondContact O-CB 3.45Å; N1425-S1429 PolarHBondContact O-N 3.44Å; S1429-R1431 VanDerWaalsContact C-N 3.34Å; S1429-R1431 PolarHBondContact O-N 2.88Å; S1429-E1432 PolarHBondContact O-N 2.97Å; S1429-M1433 VanDerWaalsContact O-CB 3.31Å; S1429-M1433 WeakPolarHBondContact O-CB 3.23Å; S1429-M1433 WeakPolarHBondContact O-CG 2.86Å; S1429-M1433 PolarHBondContact O-N 3.22Å |
| 1430 | H | 64.6 | Low | 69.9 | Low | 117 Ų | 117 | 99.6 Ų | 99.6 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 177.2 | -174.1 | -67.8 | 0 | 0 | 0 | 113.2 | L1426 S1428 M1433 E1434 | L1426-H1430 WeakPolarHBondContact O-CB 3.36Å; L1426-H1430 PolarHBondContact O-N 3.24Å; S1428-H1430 PolarHBondContact O-N 2.74Å; H1430-M1433 PolarHBondContact O-N 2.87Å; H1430-E1434 IonicContact CE1-OE2 3.06Å; H1430-E1434 IonicContact ND1-OE2 2.64Å; H1430-E1434 PolarHBondContact O-N 3.37Å |
| 1431 | R | 69.6 | Low | 70 | Confident | 178 Ų | 178 | 99.7 Ų | 99.7 | 67% | 0.672 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.6 | -40 | 177.5 | -81.8 | -178.7 | 177.3 | 173.2 | -0.5 | 112.9 | R1427 S1428 S1429 M1433 K1435 | R1427-R1431 WeakPolarHBondContact O-CB 3.46Å; R1427-R1431 WeakPolarHBondContact O-CG 3.14Å; R1427-R1431 PolarHBondContact O-N 2.8Å; S1428-R1431 PolarHBondContact O-N 3.49Å; S1429-R1431 VanDerWaalsContact C-N 3.34Å; S1429-R1431 PolarHBondContact O-N 2.88Å; R1431-M1433 VanDerWaalsContact C-N 3.3Å; R1431-K1435 PolarHBondContact O-N 3.14Å; R1431-K1435 VanDerWaalsContact O-N 3.16Å |
| 1432 | E | 73.4 | Confident | 70.4 | Confident | 120 Ų | 120 | 100.5 Ų | 100.5 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 173.3 | -82.2 | -167.9 | 140.5 | 0 | 0 | 111.2 | S1428 S1429 K1435 K1436 | S1428-E1432 PolarHBondContact O-N 2.85Å; S1429-E1432 PolarHBondContact O-N 2.97Å; E1432-K1435 WeakPolarHBondContact O-CB 3.33Å; E1432-K1435 PolarHBondContact O-N 2.89Å; E1432-K1436 WeakPolarHBondContact O-CG 3.3Å; E1432-K1436 PolarHBondContact O-N 3.28Å |
| 1433 | M | 65 | Low | 71 | Confident | 40 Ų | 40 | 100.6 Ų | 100.6 | 20% | 0.197 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68.5 | -47 | 178.9 | -71.3 | -58.4 | -57 | 0 | 0 | 112.7 | E760 S1429 H1430 R1431 K1435 K1436 Q1437 | E760-M1433 HydrophobicContact CB-CE 3.62Å; E760-M1433 VanDerWaalsContact CD-CG 3.48Å; E760-M1433 HydrophobicContact CG-CE 3.65Å; E760-M1433 HydrophobicContact CG-SD 4.15Å; E760-M1433 WeakPolarHBondContact OE1-CG 3.42Å; E760-M1433 WeakPolarHBondContact OE2-CE 3.35Å; E760-M1433 VanDerWaalsContact OE2-CG 3.23Å; E760-M1433 WeakPolarHBondContact OE2-CG 3.46Å; S1429-M1433 VanDerWaalsContact O-CB 3.31Å; S1429-M1433 WeakPolarHBondContact O-CB 3.23Å; S1429-M1433 WeakPolarHBondContact O-CG 2.86Å; S1429-M1433 PolarHBondContact O-N 3.22Å; H1430-M1433 PolarHBondContact O-N 2.87Å; R1431-M1433 VanDerWaalsContact C-N 3.3Å; M1433-K1435 PolarHBondContact O-N 3.25Å; M1433-K1436 PolarHBondContact O-N 3.16Å; M1433-K1436 VanDerWaalsContact O-N 3.14Å; M1433-K1436 HydrophobicContact SD-CD 4.43Å; M1433-Q1437 WeakPolarHBondContact O-CB 3.47Å; M1433-Q1437 PolarHBondContact O-N 3.39Å |
| 1434 | E | 68.6 | Low | 71.8 | Confident | 73 Ų | 73 | 101.3 Ų | 101.3 | 34% | 0.341 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.3 | -38.4 | 171 | -94.1 | -165.8 | 108.2 | 0 | 0 | 111.7 | H1430 R1438 | H1430-E1434 IonicContact CE1-OE2 3.06Å; H1430-E1434 IonicContact ND1-OE2 2.64Å; H1430-E1434 PolarHBondContact O-N 3.37Å; E1434-R1438 VanDerWaalsContact O-CB 3.26Å; E1434-R1438 WeakPolarHBondContact O-CB 3.29Å; E1434-R1438 WeakPolarHBondContact O-CG 3.2Å; E1434-R1438 PolarHBondContact O-N 3.29Å; E1434-R1438 IonicContact OE1-CZ 3.69Å; E1434-R1438 IonicContact OE1-NE 3.46Å; E1434-R1438 IonicContact OE1-NH2 2.75Å; E1434-R1438 PolarHBondContact OE1-NH2 2.82Å |
| 1435 | K | 73.8 | Confident | 72.2 | Confident | 159 Ų | 159 | 100 Ų | 100 | 69% | 0.691 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | 176.9 | -93.1 | -175.7 | 175.1 | 179.5 | 0 | 112.6 | R1431 E1432 M1433 R1439 | R1431-K1435 PolarHBondContact O-N 3.14Å; R1431-K1435 VanDerWaalsContact O-N 3.16Å; E1432-K1435 WeakPolarHBondContact O-CB 3.33Å; E1432-K1435 PolarHBondContact O-N 2.89Å; M1433-K1435 PolarHBondContact O-N 3.25Å; K1435-R1439 WeakPolarHBondContact O-CB 3.43Å; K1435-R1439 PolarHBondContact O-N 2.61Å; K1435-R1439 VanDerWaalsContact O-N 3.1Å |
| 1436 | K | 74 | Confident | 72.6 | Confident | 136 Ų | 136 | 100.2 Ų | 100.2 | 59% | 0.591 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.3 | -48.1 | 177.8 | -77.9 | -179.6 | -179.5 | 173.8 | 0 | 111 | E1432 M1433 R1439 F1440 | E1432-K1436 WeakPolarHBondContact O-CG 3.3Å; E1432-K1436 PolarHBondContact O-N 3.28Å; M1433-K1436 PolarHBondContact O-N 3.16Å; M1433-K1436 VanDerWaalsContact O-N 3.14Å; M1433-K1436 HydrophobicContact SD-CD 4.43Å; K1436-R1439 PolarHBondContact O-N 3.1Å; K1436-F1440 WeakPolarHBondContact O-CB 3.45Å; K1436-F1440 PolarHBondContact O-N 2.6Å |
| 1437 | Q | 67.8 | Low | 73.2 | Confident | 79 Ų | 79 | 101.3 Ų | 101.3 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.9 | -52 | 175.8 | -164.7 | 101.7 | 26.7 | 0 | 0 | 110.7 | M1433 R1439 F1440 D1441 | M1433-Q1437 WeakPolarHBondContact O-CB 3.47Å; M1433-Q1437 PolarHBondContact O-N 3.39Å; Q1437-R1439 VanDerWaalsContact C-N 3.29Å; Q1437-R1439 PolarHBondContact O-N 2.91Å; Q1437-F1440 PolarHBondContact O-N 3.48Å; Q1437-F1440 VanDerWaalsContact O-N 3.08Å; Q1437-D1441 WeakPolarHBondContact O-CB 3.39Å; Q1437-D1441 VanDerWaalsContact O-CG 3.24Å; Q1437-D1441 PolarHBondContact O-N 2.79Å |
| 1438 | R | 73.6 | Confident | 73.8 | Confident | 158 Ų | 158 | 105.8 Ų | 105.8 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60 | -35.9 | 178.6 | -74.1 | 176.9 | -166.7 | -160.1 | 6.2 | 113.5 | E1434 Q1442 | E1434-R1438 VanDerWaalsContact O-CB 3.26Å; E1434-R1438 WeakPolarHBondContact O-CB 3.29Å; E1434-R1438 WeakPolarHBondContact O-CG 3.2Å; E1434-R1438 PolarHBondContact O-N 3.29Å; E1434-R1438 IonicContact OE1-CZ 3.69Å; E1434-R1438 IonicContact OE1-NE 3.46Å; E1434-R1438 IonicContact OE1-NH2 2.75Å; E1434-R1438 PolarHBondContact OE1-NH2 2.82Å; R1438-Q1442 VanDerWaalsContact O-CB 3.28Å; R1438-Q1442 WeakPolarHBondContact O-CB 3.45Å; R1438-Q1442 WeakPolarHBondContact O-CG 3.47Å; R1438-Q1442 PolarHBondContact O-N 3.27Å |
| 1439 | R | 77.6 | Confident | 74.2 | Confident | 188 Ų | 188 | 107.8 Ų | 107.8 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.8 | -42.2 | 175.1 | -87.6 | -174.8 | 175.2 | -175.2 | -1.2 | 111.8 | K1435 K1436 Q1437 Q1442 L1443 | K1435-R1439 WeakPolarHBondContact O-CB 3.43Å; K1435-R1439 PolarHBondContact O-N 2.61Å; K1435-R1439 VanDerWaalsContact O-N 3.1Å; K1436-R1439 PolarHBondContact O-N 3.1Å; Q1437-R1439 VanDerWaalsContact C-N 3.29Å; Q1437-R1439 PolarHBondContact O-N 2.91Å; R1439-Q1442 PolarHBondContact O-N 2.92Å; R1439-L1443 WeakPolarHBondContact O-CG 3.49Å; R1439-L1443 PolarHBondContact O-N 3.2Å |
| 1440 | F | 73.7 | Confident | 74.8 | Confident | 91 Ų | 91 | 112.7 Ų | 112.7 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 177 | -174.6 | -96.5 | 0 | 0 | 0 | 110.9 | E758 K1436 Q1437 Q1442 L1443 L1444 | E758-F1440 WeakPolarHBondContact OE2-CZ 3.48Å; K1436-F1440 WeakPolarHBondContact O-CB 3.45Å; K1436-F1440 PolarHBondContact O-N 2.6Å; Q1437-F1440 PolarHBondContact O-N 3.48Å; Q1437-F1440 VanDerWaalsContact O-N 3.08Å; F1440-Q1442 VanDerWaalsContact C-N 3.28Å; F1440-Q1442 PolarHBondContact O-N 3.48Å; F1440-L1443 PolarHBondContact O-N 2.77Å; F1440-L1443 VanDerWaalsContact O-N 3.15Å; F1440-L1444 HydrophobicContact CD1-CD1 4.39Å; F1440-L1444 HydrophobicContact CE1-CD1 3.57Å; F1440-L1444 HydrophobicContact CZ-CD1 3.72Å; F1440-L1444 VanDerWaalsContact O-CB 3.29Å; F1440-L1444 WeakPolarHBondContact O-CB 3.11Å; F1440-L1444 PolarHBondContact O-N 3.03Å |
| 1441 | D | 73.3 | Confident | 75.4 | Confident | 80 Ų | 80 | 113.7 Ų | 113.7 | 43% | 0.428 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -39 | 174.9 | -66.1 | -24.7 | 0 | 0 | 0 | 111.6 | Q1437 A1445 | Q1437-D1441 WeakPolarHBondContact O-CB 3.39Å; Q1437-D1441 VanDerWaalsContact O-CG 3.24Å; Q1437-D1441 PolarHBondContact O-N 2.79Å; D1441-A1445 WeakPolarHBondContact O-CA 3.49Å; D1441-A1445 WeakPolarHBondContact O-CB 3.47Å; D1441-A1445 PolarHBondContact O-N 3.12Å |
| 1442 | Q | 79.7 | Confident | 76.1 | Confident | 125 Ų | 125 | 107 Ų | 107 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -50.7 | 172.8 | -93.6 | -175.5 | -31.9 | 0 | 0 | 112.2 | R1438 R1439 F1440 L1444 A1445 E1446 | R1438-Q1442 VanDerWaalsContact O-CB 3.28Å; R1438-Q1442 WeakPolarHBondContact O-CB 3.45Å; R1438-Q1442 WeakPolarHBondContact O-CG 3.47Å; R1438-Q1442 PolarHBondContact O-N 3.27Å; R1439-Q1442 PolarHBondContact O-N 2.92Å; F1440-Q1442 VanDerWaalsContact C-N 3.28Å; F1440-Q1442 PolarHBondContact O-N 3.48Å; Q1442-L1444 VanDerWaalsContact C-N 3.32Å; Q1442-L1444 PolarHBondContact O-N 3.34Å; Q1442-A1445 PolarHBondContact O-N 2.71Å; Q1442-E1446 WeakPolarHBondContact O-CB 3.47Å; Q1442-E1446 VanDerWaalsContact O-CG 3.32Å; Q1442-E1446 WeakPolarHBondContact O-CG 3.39Å; Q1442-E1446 PolarHBondContact O-N 3.21Å |
| 1443 | L | 80.6 | Confident | 76.5 | Confident | 110 Ų | 110 | 107.1 Ų | 107.1 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 179.2 | -76.3 | 167.1 | 0 | 0 | 0 | 111.6 | R1439 F1440 E1446 E1447 | R1439-L1443 WeakPolarHBondContact O-CG 3.49Å; R1439-L1443 PolarHBondContact O-N 3.2Å; F1440-L1443 PolarHBondContact O-N 2.77Å; F1440-L1443 VanDerWaalsContact O-N 3.15Å; L1443-E1446 PolarHBondContact O-N 2.75Å; L1443-E1447 PolarHBondContact O-N 3.24Å |
| 1444 | L | 76.8 | Confident | 77.2 | Confident | 59 Ų | 59 | 111.2 Ų | 111.2 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.2 | -35.5 | -179.3 | -155.8 | 133.5 | 0 | 0 | 0 | 111.5 | F1440 Q1442 R1448 | F1440-L1444 HydrophobicContact CD1-CD1 4.39Å; F1440-L1444 HydrophobicContact CE1-CD1 3.57Å; F1440-L1444 HydrophobicContact CZ-CD1 3.72Å; F1440-L1444 VanDerWaalsContact O-CB 3.29Å; F1440-L1444 WeakPolarHBondContact O-CB 3.11Å; F1440-L1444 PolarHBondContact O-N 3.03Å; Q1442-L1444 VanDerWaalsContact C-N 3.32Å; Q1442-L1444 PolarHBondContact O-N 3.34Å; L1444-R1448 HydrophobicContact CD2-CG 4.35Å; L1444-R1448 VanDerWaalsContact O-CB 3.29Å; L1444-R1448 WeakPolarHBondContact O-CB 3.39Å; L1444-R1448 VanDerWaalsContact O-CG 3.3Å; L1444-R1448 WeakPolarHBondContact O-CG 3.41Å; L1444-R1448 PolarHBondContact O-N 2.67Å |
| 1445 | A | 79.2 | Confident | 77.9 | Confident | 43 Ų | 43 | 110.3 Ų | 110.3 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1441 Q1442 N1449 | D1441-A1445 WeakPolarHBondContact O-CA 3.49Å; D1441-A1445 WeakPolarHBondContact O-CB 3.47Å; D1441-A1445 PolarHBondContact O-N 3.12Å; Q1442-A1445 PolarHBondContact O-N 2.71Å; A1445-N1449 WeakPolarHBondContact O-CB 3.23Å; A1445-N1449 PolarHBondContact O-N 2.65Å; A1445-N1449 PolarHBondContact O-ND2 2.77Å |
| 1446 | E | 80.9 | Confident | 78.3 | Confident | 101 Ų | 101 | 105.8 Ų | 105.8 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 174 | -78.9 | 176.8 | -172.1 | 0 | 0 | 111.3 | Q1442 L1443 N1449 R1450 | Q1442-E1446 WeakPolarHBondContact O-CB 3.47Å; Q1442-E1446 VanDerWaalsContact O-CG 3.32Å; Q1442-E1446 WeakPolarHBondContact O-CG 3.39Å; Q1442-E1446 PolarHBondContact O-N 3.21Å; L1443-E1446 PolarHBondContact O-N 2.75Å; E1446-N1449 PolarHBondContact O-N 2.79Å; E1446-R1450 WeakPolarHBondContact O-CG 3.39Å; E1446-R1450 PolarHBondContact O-N 3.49Å |
| 1447 | E | 77.6 | Confident | 78.7 | Confident | 107 Ų | 107 | 105.1 Ų | 105.1 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 176.5 | -76.2 | -55.2 | 142 | 0 | 0 | 112.7 | L1443 N1449 R1450 M1451 | L1443-E1447 PolarHBondContact O-N 3.24Å; E1447-N1449 VanDerWaalsContact C-N 3.34Å; E1447-N1449 PolarHBondContact O-N 2.68Å; E1447-R1450 PolarHBondContact O-N 2.71Å; E1447-R1450 IonicContact OE1-CZ 3.19Å; E1447-R1450 IonicContact OE1-NH1 3.32Å; E1447-R1450 PolarHBondContact OE1-NH1 2.73Å; E1447-M1451 WeakPolarHBondContact O-CB 3.15Å; E1447-M1451 PolarHBondContact O-N 3.27Å |
| 1448 | R | 79.3 | Confident | 79.5 | Confident | 157 Ų | 157 | 109.6 Ų | 109.6 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 172.9 | -79.4 | -177.3 | 178.8 | 166.7 | 5 | 112.1 | L1444 M1451 G1452 | L1444-R1448 HydrophobicContact CD2-CG 4.35Å; L1444-R1448 VanDerWaalsContact O-CB 3.29Å; L1444-R1448 WeakPolarHBondContact O-CB 3.39Å; L1444-R1448 VanDerWaalsContact O-CG 3.3Å; L1444-R1448 WeakPolarHBondContact O-CG 3.41Å; L1444-R1448 PolarHBondContact O-N 2.67Å; R1448-M1451 PolarHBondContact O-N 3.48Å; R1448-G1452 PolarHBondContact O-N 3.46Å |
| 1449 | N | 80.2 | Confident | 80 | Confident | 106 Ų | 106 | 105.5 Ų | 105.5 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 176.8 | -79.6 | -22.3 | 0 | 0 | 0 | 111.3 | A1445 E1446 E1447 G1452 Q1453 | A1445-N1449 WeakPolarHBondContact O-CB 3.23Å; A1445-N1449 PolarHBondContact O-N 2.65Å; A1445-N1449 PolarHBondContact O-ND2 2.77Å; E1446-N1449 PolarHBondContact O-N 2.79Å; E1447-N1449 VanDerWaalsContact C-N 3.34Å; E1447-N1449 PolarHBondContact O-N 2.68Å; N1449-G1452 PolarHBondContact O-N 3.02Å; N1449-Q1453 WeakPolarHBondContact O-CB 3.47Å; N1449-Q1453 VanDerWaalsContact O-CG 3.28Å; N1449-Q1453 WeakPolarHBondContact O-CG 3.27Å; N1449-Q1453 PolarHBondContact O-N 3.36Å |
| 1450 | R | 81.3 | Confident | 80.4 | Confident | 139 Ų | 139 | 98 Ų | 98 | 53% | 0.525 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 172.8 | -78.4 | 178.1 | -177.2 | 159.3 | 3.7 | 111.5 | E1446 E1447 G1452 Q1453 M1454 | E1446-R1450 WeakPolarHBondContact O-CG 3.39Å; E1446-R1450 PolarHBondContact O-N 3.49Å; E1447-R1450 PolarHBondContact O-N 2.71Å; E1447-R1450 IonicContact OE1-CZ 3.19Å; E1447-R1450 IonicContact OE1-NH1 3.32Å; E1447-R1450 PolarHBondContact OE1-NH1 2.73Å; R1450-G1452 VanDerWaalsContact C-N 3.33Å; R1450-G1452 PolarHBondContact O-N 2.93Å; R1450-Q1453 PolarHBondContact O-N 2.78Å; R1450-M1454 WeakPolarHBondContact O-CG 3.3Å; R1450-M1454 PolarHBondContact O-N 2.73Å |
| 1451 | M | 77.7 | Confident | 81 | Confident | 138 Ų | 138 | 98.2 Ų | 98.2 | 68% | 0.68 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -37.9 | -179.9 | -153.8 | -166.3 | 70.3 | 0 | 0 | 111.6 | E1447 R1448 M1454 S1455 | E1447-M1451 WeakPolarHBondContact O-CB 3.15Å; E1447-M1451 PolarHBondContact O-N 3.27Å; R1448-M1451 PolarHBondContact O-N 3.48Å; M1451-M1454 PolarHBondContact O-N 3.49Å; M1451-S1455 WeakPolarHBondContact O-CB 3.37Å; M1451-S1455 PolarHBondContact O-N 2.8Å |
| 1452 | G | 83.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 96 Ų | 96 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | R1448 N1449 R1450 S1455 A1456 | R1448-G1452 PolarHBondContact O-N 3.46Å; N1449-G1452 PolarHBondContact O-N 3.02Å; R1450-G1452 VanDerWaalsContact C-N 3.33Å; R1450-G1452 PolarHBondContact O-N 2.93Å; G1452-S1455 PolarHBondContact O-N 3.42Å; G1452-A1456 VanDerWaalsContact O-CB 3.3Å; G1452-A1456 WeakPolarHBondContact O-CB 3.13Å; G1452-A1456 PolarHBondContact O-N 2.83Å |
| 1453 | Q | 82.7 | Confident | 81.9 | Confident | 124 Ų | 124 | 95.3 Ų | 95.3 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -48.3 | 172.4 | -78.9 | 175.9 | -7.5 | 0 | 0 | 111.3 | N1449 R1450 S1455 A1456 E1457 | N1449-Q1453 WeakPolarHBondContact O-CB 3.47Å; N1449-Q1453 VanDerWaalsContact O-CG 3.28Å; N1449-Q1453 WeakPolarHBondContact O-CG 3.27Å; N1449-Q1453 PolarHBondContact O-N 3.36Å; R1450-Q1453 PolarHBondContact O-N 2.78Å; Q1453-S1455 VanDerWaalsContact C-N 3.31Å; Q1453-S1455 PolarHBondContact O-N 2.54Å; Q1453-A1456 PolarHBondContact O-N 2.73Å; Q1453-E1457 WeakPolarHBondContact O-CB 3.31Å; Q1453-E1457 WeakPolarHBondContact O-CG 3.27Å; Q1453-E1457 PolarHBondContact O-N 2.74Å |
| 1454 | M | 79.7 | Confident | 82.1 | Confident | 125 Ų | 125 | 95.1 Ų | 95.1 | 62% | 0.616 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 176.7 | -70.6 | -62.8 | -59.4 | 0 | 0 | 112.2 | R1450 M1451 R1458 | R1450-M1454 WeakPolarHBondContact O-CG 3.3Å; R1450-M1454 PolarHBondContact O-N 2.73Å; M1451-M1454 PolarHBondContact O-N 3.49Å; M1454-R1458 WeakPolarHBondContact O-CB 3.11Å; M1454-R1458 PolarHBondContact O-N 2.79Å |
| 1455 | S | 81.9 | Confident | 82.7 | Confident | 54 Ų | 54 | 97 Ų | 97 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 174.7 | -166.3 | 0 | 0 | 0 | 0 | 111.7 | M1451 G1452 Q1453 R1458 D1459 | M1451-S1455 WeakPolarHBondContact O-CB 3.37Å; M1451-S1455 PolarHBondContact O-N 2.8Å; G1452-S1455 PolarHBondContact O-N 3.42Å; Q1453-S1455 VanDerWaalsContact C-N 3.31Å; Q1453-S1455 PolarHBondContact O-N 2.54Å; S1455-R1458 PolarHBondContact O-N 3.29Å; S1455-D1459 WeakPolarHBondContact O-CB 3.49Å; S1455-D1459 VanDerWaalsContact O-CG 3.26Å; S1455-D1459 PolarHBondContact O-N 2.66Å |
| 1456 | A | 83.1 | Confident | 83.1 | Confident | 64 Ų | 64 | 102.3 Ų | 102.3 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1452 Q1453 D1459 G1460 | G1452-A1456 VanDerWaalsContact O-CB 3.3Å; G1452-A1456 WeakPolarHBondContact O-CB 3.13Å; G1452-A1456 PolarHBondContact O-N 2.83Å; Q1453-A1456 PolarHBondContact O-N 2.73Å; A1456-D1459 PolarHBondContact O-N 3.31Å; A1456-G1460 PolarHBondContact O-N 3.43Å |
| 1457 | E | 82.5 | Confident | 83.4 | Confident | 122 Ų | 122 | 102.8 Ų | 102.8 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 172.4 | -74.9 | 179.9 | -177.9 | 0 | 0 | 111.2 | Q1453 D1459 G1460 V1461 | Q1453-E1457 WeakPolarHBondContact O-CB 3.31Å; Q1453-E1457 WeakPolarHBondContact O-CG 3.27Å; Q1453-E1457 PolarHBondContact O-N 2.74Å; E1457-D1459 PolarHBondContact O-N 3.23Å; E1457-G1460 PolarHBondContact O-N 3.03Å; E1457-V1461 WeakPolarHBondContact O-CG2 3.45Å; E1457-V1461 PolarHBondContact O-N 2.71Å |
| 1458 | R | 83.9 | Confident | 83.9 | Confident | 173 Ų | 173 | 105.6 Ų | 105.6 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -46 | 175.9 | -167.7 | -164.7 | 81.4 | 153.1 | 3.8 | 111.6 | M1454 S1455 G1460 V1461 A1462 | M1454-R1458 WeakPolarHBondContact O-CB 3.11Å; M1454-R1458 PolarHBondContact O-N 2.79Å; S1455-R1458 PolarHBondContact O-N 3.29Å; R1458-G1460 VanDerWaalsContact C-N 3.34Å; R1458-V1461 PolarHBondContact O-N 3.48Å; R1458-A1462 VanDerWaalsContact O-CB 3.3Å; R1458-A1462 WeakPolarHBondContact O-CB 3.47Å; R1458-A1462 PolarHBondContact O-N 3.16Å |
| 1459 | D | 84.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 103 Ų | 103 | 39% | 0.39 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -35.7 | -179.6 | -70.3 | -16.3 | 0 | 0 | 0 | 111 | S1455 A1456 E1457 A1462 Q1463 | S1455-D1459 WeakPolarHBondContact O-CB 3.49Å; S1455-D1459 VanDerWaalsContact O-CG 3.26Å; S1455-D1459 PolarHBondContact O-N 2.66Å; A1456-D1459 PolarHBondContact O-N 3.31Å; E1457-D1459 PolarHBondContact O-N 3.23Å; D1459-A1462 PolarHBondContact O-N 3.13Å; D1459-Q1463 VanDerWaalsContact O-CB 3.29Å; D1459-Q1463 WeakPolarHBondContact O-CB 3.48Å; D1459-Q1463 PolarHBondContact O-N 2.98Å |
| 1460 | G | 87.3 | Confident | 84.7 | Confident | 30 Ų | 30 | 102.3 Ų | 102.3 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1456 E1457 R1458 A1462 Q1463 E1464 | A1456-G1460 PolarHBondContact O-N 3.43Å; E1457-G1460 PolarHBondContact O-N 3.03Å; R1458-G1460 VanDerWaalsContact C-N 3.34Å; G1460-A1462 PolarHBondContact O-N 3.03Å; G1460-Q1463 WeakPolarHBondContact O-CB 3.01Å; G1460-Q1463 PolarHBondContact O-N 3.05Å; G1460-E1464 WeakPolarHBondContact O-CG 3.4Å; G1460-E1464 PolarHBondContact O-N 3.41Å |
| 1461 | V | 86.2 | Confident | 85.1 | Confident | 96 Ų | 96 | 103 Ų | 103 | 58% | 0.582 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | E1457 R1458 Q1463 E1464 L1465 | E1457-V1461 WeakPolarHBondContact O-CG2 3.45Å; E1457-V1461 PolarHBondContact O-N 2.71Å; R1458-V1461 PolarHBondContact O-N 3.48Å; V1461-Q1463 VanDerWaalsContact C-N 3.32Å; V1461-Q1463 PolarHBondContact O-N 3.23Å; V1461-E1464 PolarHBondContact O-N 2.95Å; V1461-L1465 WeakPolarHBondContact O-CB 3.27Å; V1461-L1465 PolarHBondContact O-N 3.49Å |
| 1462 | A | 83.2 | Confident | 85.7 | Confident | 33 Ų | 33 | 101.1 Ų | 101.1 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -31.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1458 D1459 G1460 R1466 | R1458-A1462 VanDerWaalsContact O-CB 3.3Å; R1458-A1462 WeakPolarHBondContact O-CB 3.47Å; R1458-A1462 PolarHBondContact O-N 3.16Å; D1459-A1462 PolarHBondContact O-N 3.13Å; G1460-A1462 PolarHBondContact O-N 3.03Å; A1462-R1466 WeakPolarHBondContact O-CB 3.46Å; A1462-R1466 WeakPolarHBondContact O-CG 3.47Å; A1462-R1466 PolarHBondContact O-N 3.4Å; A1462-R1466 PolarHBondContact O-NE 3.46Å |
| 1463 | Q | 87 | Confident | 85.9 | Confident | 111 Ų | 111 | 104.4 Ų | 104.4 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -48 | 172.3 | -178.1 | 177.2 | -16.3 | 0 | 0 | 110.5 | D1459 G1460 V1461 L1465 R1466 E1467 | D1459-Q1463 VanDerWaalsContact O-CB 3.29Å; D1459-Q1463 WeakPolarHBondContact O-CB 3.48Å; D1459-Q1463 PolarHBondContact O-N 2.98Å; G1460-Q1463 WeakPolarHBondContact O-CB 3.01Å; G1460-Q1463 PolarHBondContact O-N 3.05Å; V1461-Q1463 VanDerWaalsContact C-N 3.32Å; V1461-Q1463 PolarHBondContact O-N 3.23Å; Q1463-L1465 VanDerWaalsContact C-N 3.27Å; Q1463-L1465 PolarHBondContact O-N 3.32Å; Q1463-R1466 PolarHBondContact O-N 3.29Å; Q1463-R1466 VanDerWaalsContact O-N 3.16Å; Q1463-E1467 HydrophobicContact CG-CG 4.46Å; Q1463-E1467 PolarHBondContact NE2-OE1 2.98Å; Q1463-E1467 WeakPolarHBondContact O-CB 3.28Å; Q1463-E1467 WeakPolarHBondContact O-CG 3.2Å; Q1463-E1467 PolarHBondContact O-N 2.95Å |
| 1464 | E | 86 | Confident | 86.3 | Confident | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 175.3 | -73.6 | -173.8 | -171.6 | 0 | 0 | 112.1 | G1460 V1461 E1467 R1468 | G1460-E1464 WeakPolarHBondContact O-CG 3.4Å; G1460-E1464 PolarHBondContact O-N 3.41Å; V1461-E1464 PolarHBondContact O-N 2.95Å; E1464-E1467 PolarHBondContact O-N 3.44Å; E1464-R1468 WeakPolarHBondContact O-CB 3.4Å; E1464-R1468 VanDerWaalsContact O-CG 3.29Å; E1464-R1468 WeakPolarHBondContact O-CG 3.39Å; E1464-R1468 PolarHBondContact O-N 3.4Å |
| 1465 | L | 88.3 | Confident | 86.7 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 175.2 | -166.2 | 93.2 | 0 | 0 | 0 | 110.8 | V1461 Q1463 E1467 R1468 E1469 | V1461-L1465 WeakPolarHBondContact O-CB 3.27Å; V1461-L1465 PolarHBondContact O-N 3.49Å; Q1463-L1465 VanDerWaalsContact C-N 3.27Å; Q1463-L1465 PolarHBondContact O-N 3.32Å; L1465-E1467 VanDerWaalsContact C-N 3.34Å; L1465-E1467 PolarHBondContact O-N 3Å; L1465-R1468 PolarHBondContact O-N 2.94Å; L1465-E1469 WeakPolarHBondContact O-CG 3.15Å; L1465-E1469 PolarHBondContact O-N 2.8Å |
| 1466 | R | 87.6 | Confident | 87.1 | Confident | 153 Ų | 153 | 102.1 Ų | 102.1 | 58% | 0.577 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -38.7 | 177.2 | -81.5 | -174.7 | -83.9 | -171.5 | -5.4 | 112.4 | A1462 Q1463 R1468 E1469 T1470 | A1462-R1466 WeakPolarHBondContact O-CB 3.46Å; A1462-R1466 WeakPolarHBondContact O-CG 3.47Å; A1462-R1466 PolarHBondContact O-N 3.4Å; A1462-R1466 PolarHBondContact O-NE 3.46Å; Q1463-R1466 PolarHBondContact O-N 3.29Å; Q1463-R1466 VanDerWaalsContact O-N 3.16Å; R1466-R1468 VanDerWaalsContact C-N 3.34Å; R1466-E1469 PolarHBondContact O-N 3.47Å; R1466-T1470 WeakPolarHBondContact O-CB 3.39Å; R1466-T1470 PolarHBondContact O-N 2.85Å; R1466-T1470 PolarHBondContact O-OG1 3.35Å |
| 1467 | E | 87.3 | Confident | 87.5 | Confident | 112 Ų | 112 | 103.6 Ų | 103.6 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 174.6 | -76.4 | 178 | -168.9 | 0 | 0 | 111.2 | Q1463 E1464 L1465 K1471 | Q1463-E1467 HydrophobicContact CG-CG 4.46Å; Q1463-E1467 PolarHBondContact NE2-OE1 2.98Å; Q1463-E1467 WeakPolarHBondContact O-CB 3.28Å; Q1463-E1467 WeakPolarHBondContact O-CG 3.2Å; Q1463-E1467 PolarHBondContact O-N 2.95Å; E1464-E1467 PolarHBondContact O-N 3.44Å; L1465-E1467 VanDerWaalsContact C-N 3.34Å; L1465-E1467 PolarHBondContact O-N 3Å; E1467-K1471 VanDerWaalsContact O-CB 3.32Å; E1467-K1471 WeakPolarHBondContact O-CB 3.22Å; E1467-K1471 PolarHBondContact O-N 3.2Å |
| 1468 | R | 87.8 | Confident | 87.8 | Confident | 166 Ų | 166 | 102 Ų | 102 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 174.1 | -72.3 | 178.5 | -170.1 | -174.8 | 8.1 | 112.3 | E1464 L1465 R1466 K1471 I1472 | E1464-R1468 WeakPolarHBondContact O-CB 3.4Å; E1464-R1468 VanDerWaalsContact O-CG 3.29Å; E1464-R1468 WeakPolarHBondContact O-CG 3.39Å; E1464-R1468 PolarHBondContact O-N 3.4Å; L1465-R1468 PolarHBondContact O-N 2.94Å; R1466-R1468 VanDerWaalsContact C-N 3.34Å; R1468-K1471 PolarHBondContact O-N 2.89Å; R1468-I1472 WeakPolarHBondContact O-CG1 3.36Å; R1468-I1472 PolarHBondContact O-N 2.99Å |
| 1469 | E | 89.8 | Confident | 88 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175 | -75.7 | 176.4 | 166.2 | 0 | 0 | 111.1 | L1465 R1466 K1471 I1472 L1473 | L1465-E1469 WeakPolarHBondContact O-CG 3.15Å; L1465-E1469 PolarHBondContact O-N 2.8Å; R1466-E1469 PolarHBondContact O-N 3.47Å; E1469-K1471 VanDerWaalsContact C-N 3.27Å; E1469-K1471 PolarHBondContact O-N 3.42Å; E1469-I1472 PolarHBondContact O-N 3.43Å; E1469-L1473 WeakPolarHBondContact O-CB 3.46Å; E1469-L1473 PolarHBondContact O-N 3.19Å |
| 1470 | T | 88.5 | Confident | 88.2 | Confident | 92 Ų | 92 | 100 Ų | 100 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61 | -38.6 | 176.6 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | R1466 L1473 S1474 | R1466-T1470 WeakPolarHBondContact O-CB 3.39Å; R1466-T1470 PolarHBondContact O-N 2.85Å; R1466-T1470 PolarHBondContact O-OG1 3.35Å; T1470-L1473 PolarHBondContact O-N 3.3Å; T1470-S1474 WeakPolarHBondContact O-CB 3.48Å; T1470-S1474 PolarHBondContact O-N 3.43Å |
| 1471 | K | 89.5 | Confident | 88.3 | Confident | 152 Ų | 152 | 100.8 Ų | 100.8 | 66% | 0.661 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.2 | -38 | 176.9 | -164.3 | 153.2 | -172.5 | 169.2 | 0 | 112.6 | E1467 R1468 E1469 S1474 L1475 | E1467-K1471 VanDerWaalsContact O-CB 3.32Å; E1467-K1471 WeakPolarHBondContact O-CB 3.22Å; E1467-K1471 PolarHBondContact O-N 3.2Å; R1468-K1471 PolarHBondContact O-N 2.89Å; E1469-K1471 VanDerWaalsContact C-N 3.27Å; E1469-K1471 PolarHBondContact O-N 3.42Å; K1471-S1474 PolarHBondContact O-N 2.92Å; K1471-L1475 WeakPolarHBondContact O-CB 3.14Å; K1471-L1475 VanDerWaalsContact O-CG 3.28Å; K1471-L1475 WeakPolarHBondContact O-CG 3.16Å; K1471-L1475 PolarHBondContact O-N 3.5Å |
| 1472 | I | 88.6 | Confident | 88.3 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 172.5 | -68.9 | 165.8 | 0 | 0 | 0 | 110.4 | R1468 E1469 L1475 N1476 | R1468-I1472 WeakPolarHBondContact O-CG1 3.36Å; R1468-I1472 PolarHBondContact O-N 2.99Å; E1469-I1472 PolarHBondContact O-N 3.43Å; I1472-L1475 PolarHBondContact O-N 2.95Å; I1472-N1476 WeakPolarHBondContact O-CB 3.34Å; I1472-N1476 PolarHBondContact O-N 3.33Å |
| 1473 | L | 89.6 | Confident | 88.6 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 175.8 | -116 | 147.3 | 0 | 0 | 0 | 111.6 | E1469 T1470 N1476 N1477 | E1469-L1473 WeakPolarHBondContact O-CB 3.46Å; E1469-L1473 PolarHBondContact O-N 3.19Å; T1470-L1473 PolarHBondContact O-N 3.3Å; L1473-N1476 PolarHBondContact O-N 3.15Å; L1473-N1477 WeakPolarHBondContact O-CB 3.29Å; L1473-N1477 VanDerWaalsContact O-CG 3.31Å; L1473-N1477 PolarHBondContact O-N 3.36Å |
| 1474 | S | 90 | Very high | 88.6 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 173 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | T1470 K1471 N1476 N1477 D1478 | T1470-S1474 WeakPolarHBondContact O-CB 3.48Å; T1470-S1474 PolarHBondContact O-N 3.43Å; K1471-S1474 PolarHBondContact O-N 2.92Å; S1474-N1476 VanDerWaalsContact C-N 3.32Å; S1474-N1476 PolarHBondContact O-N 3.12Å; S1474-N1477 PolarHBondContact O-N 2.96Å; S1474-D1478 WeakPolarHBondContact O-CB 3.42Å; S1474-D1478 PolarHBondContact O-N 3.46Å |
| 1475 | L | 89.1 | Confident | 88.7 | Confident | 108 Ų | 108 | 104.3 Ų | 104.3 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -35.5 | -179.8 | -73.3 | 169.7 | 0 | 0 | 0 | 112.6 | K1471 I1472 L1479 | K1471-L1475 WeakPolarHBondContact O-CB 3.14Å; K1471-L1475 VanDerWaalsContact O-CG 3.28Å; K1471-L1475 WeakPolarHBondContact O-CG 3.16Å; K1471-L1475 PolarHBondContact O-N 3.5Å; I1472-L1475 PolarHBondContact O-N 2.95Å; L1475-L1479 VanDerWaalsContact O-CB 3.25Å; L1475-L1479 WeakPolarHBondContact O-CB 3.46Å; L1475-L1479 PolarHBondContact O-N 3.2Å |
| 1476 | N | 90.6 | Very high | 88.6 | Confident | 91 Ų | 91 | 104.5 Ų | 104.5 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -41.1 | 173.9 | -78.8 | -19.8 | 0 | 0 | 0 | 111.7 | I1472 L1473 S1474 D1478 L1479 Q1480 | I1472-N1476 WeakPolarHBondContact O-CB 3.34Å; I1472-N1476 PolarHBondContact O-N 3.33Å; L1473-N1476 PolarHBondContact O-N 3.15Å; S1474-N1476 VanDerWaalsContact C-N 3.32Å; S1474-N1476 PolarHBondContact O-N 3.12Å; N1476-D1478 VanDerWaalsContact C-N 3.33Å; N1476-L1479 PolarHBondContact O-N 2.97Å; N1476-Q1480 VanDerWaalsContact O-CB 3.3Å; N1476-Q1480 WeakPolarHBondContact O-CB 3.31Å; N1476-Q1480 PolarHBondContact O-N 2.96Å |
| 1477 | N | 89.4 | Confident | 88.5 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 173.6 | -76.3 | -13.7 | 0 | 0 | 0 | 111.2 | L1473 S1474 Q1480 A1481 | L1473-N1477 WeakPolarHBondContact O-CB 3.29Å; L1473-N1477 VanDerWaalsContact O-CG 3.31Å; L1473-N1477 PolarHBondContact O-N 3.36Å; S1474-N1477 PolarHBondContact O-N 2.96Å; N1477-Q1480 PolarHBondContact O-N 3.48Å; N1477-A1481 VanDerWaalsContact O-CB 3.25Å; N1477-A1481 WeakPolarHBondContact O-CB 3.13Å; N1477-A1481 PolarHBondContact O-N 3.48Å |
| 1478 | D | 89.7 | Confident | 88.4 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.5 | -67.3 | -26.1 | 0 | 0 | 0 | 110.8 | S1474 N1476 A1481 V1482 | S1474-D1478 WeakPolarHBondContact O-CB 3.42Å; S1474-D1478 PolarHBondContact O-N 3.46Å; N1476-D1478 VanDerWaalsContact C-N 3.33Å; D1478-A1481 PolarHBondContact O-N 2.8Å; D1478-V1482 VanDerWaalsContact O-CG2 3.28Å; D1478-V1482 WeakPolarHBondContact O-CG2 3.18Å; D1478-V1482 PolarHBondContact O-N 2.99Å |
| 1479 | L | 88 | Confident | 88.2 | Confident | 97 Ų | 97 | 94.1 Ų | 94.1 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 175 | -172.2 | 109.5 | 0 | 0 | 0 | 111.2 | L1475 N1476 V1482 Q1483 | L1475-L1479 VanDerWaalsContact O-CB 3.25Å; L1475-L1479 WeakPolarHBondContact O-CB 3.46Å; L1475-L1479 PolarHBondContact O-N 3.2Å; N1476-L1479 PolarHBondContact O-N 2.97Å; L1479-V1482 PolarHBondContact O-N 3.47Å; L1479-Q1483 WeakPolarHBondContact O-CG 3.38Å; L1479-Q1483 PolarHBondContact O-N 3.49Å |
| 1480 | Q | 88.9 | Confident | 88 | Confident | 107 Ų | 107 | 93 Ų | 93 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 178.5 | -172 | 156 | -5.2 | 0 | 0 | 111.4 | N1476 N1477 V1482 Q1483 D1484 | N1476-Q1480 VanDerWaalsContact O-CB 3.3Å; N1476-Q1480 WeakPolarHBondContact O-CB 3.31Å; N1476-Q1480 PolarHBondContact O-N 2.96Å; N1477-Q1480 PolarHBondContact O-N 3.48Å; Q1480-V1482 VanDerWaalsContact C-N 3.3Å; Q1480-V1482 PolarHBondContact O-N 3.14Å; Q1480-Q1483 CarbonylContact O-C 3.39Å; Q1480-Q1483 WeakPolarHBondContact O-CB 3.47Å; Q1480-Q1483 PolarHBondContact O-N 2.88Å; Q1480-Q1483 VanDerWaalsContact O-N 3.13Å; Q1480-D1484 WeakPolarHBondContact O-CB 3.26Å; Q1480-D1484 PolarHBondContact O-N 3.09Å |
| 1481 | A | 88.3 | Confident | 87.9 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1477 D1478 Q1485 | N1477-A1481 VanDerWaalsContact O-CB 3.25Å; N1477-A1481 WeakPolarHBondContact O-CB 3.13Å; N1477-A1481 PolarHBondContact O-N 3.48Å; D1478-A1481 PolarHBondContact O-N 2.8Å; A1481-Q1485 WeakPolarHBondContact O-CB 3.5Å; A1481-Q1485 VanDerWaalsContact O-CG 3.23Å; A1481-Q1485 WeakPolarHBondContact O-CG 3.47Å; A1481-Q1485 PolarHBondContact O-N 2.6Å |
| 1482 | V | 86.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.4 | -37.8 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | D1478 L1479 Q1480 L1486 | D1478-V1482 VanDerWaalsContact O-CG2 3.28Å; D1478-V1482 WeakPolarHBondContact O-CG2 3.18Å; D1478-V1482 PolarHBondContact O-N 2.99Å; L1479-V1482 PolarHBondContact O-N 3.47Å; Q1480-V1482 VanDerWaalsContact C-N 3.3Å; Q1480-V1482 PolarHBondContact O-N 3.14Å; V1482-L1486 WeakPolarHBondContact O-CB 3.25Å; V1482-L1486 PolarHBondContact O-N 3.38Å |
| 1483 | Q | 89 | Confident | 87.4 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 174.9 | -75.3 | 175.9 | -16.2 | 0 | 0 | 112.3 | L1479 Q1480 L1486 A1487 | L1479-Q1483 WeakPolarHBondContact O-CG 3.38Å; L1479-Q1483 PolarHBondContact O-N 3.49Å; Q1480-Q1483 CarbonylContact O-C 3.39Å; Q1480-Q1483 WeakPolarHBondContact O-CB 3.47Å; Q1480-Q1483 PolarHBondContact O-N 2.88Å; Q1480-Q1483 VanDerWaalsContact O-N 3.13Å; Q1483-L1486 WeakPolarHBondContact O-CB 3.48Å; Q1483-L1486 PolarHBondContact O-N 3.35Å; Q1483-A1487 WeakPolarHBondContact O-CB 3.5Å; Q1483-A1487 PolarHBondContact O-N 3Å |
| 1484 | D | 88.4 | Confident | 87.2 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.5 | -71.9 | -18 | 0 | 0 | 0 | 110.2 | Q1480 L1486 A1487 D1488 | Q1480-D1484 WeakPolarHBondContact O-CB 3.26Å; Q1480-D1484 PolarHBondContact O-N 3.09Å; D1484-L1486 VanDerWaalsContact C-N 3.31Å; D1484-L1486 PolarHBondContact O-N 3.36Å; D1484-A1487 PolarHBondContact O-N 3.14Å; D1484-D1488 WeakPolarHBondContact O-CB 3.38Å; D1484-D1488 PolarHBondContact O-N 3.23Å |
| 1485 | Q | 87.1 | Confident | 86.8 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -39.1 | 172.1 | -79 | 178 | 5.2 | 0 | 0 | 112.4 | A1481 S1489 | A1481-Q1485 WeakPolarHBondContact O-CB 3.5Å; A1481-Q1485 VanDerWaalsContact O-CG 3.23Å; A1481-Q1485 WeakPolarHBondContact O-CG 3.47Å; A1481-Q1485 PolarHBondContact O-N 2.6Å; Q1485-S1489 WeakPolarHBondContact O-CB 3.32Å; Q1485-S1489 PolarHBondContact O-N 2.91Å |
| 1486 | L | 86.3 | Confident | 86.5 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 174.8 | -178.8 | 65.8 | 0 | 0 | 0 | 110.6 | V1482 Q1483 D1484 S1489 E1490 | V1482-L1486 WeakPolarHBondContact O-CB 3.25Å; V1482-L1486 PolarHBondContact O-N 3.38Å; Q1483-L1486 WeakPolarHBondContact O-CB 3.48Å; Q1483-L1486 PolarHBondContact O-N 3.35Å; D1484-L1486 VanDerWaalsContact C-N 3.31Å; D1484-L1486 PolarHBondContact O-N 3.36Å; L1486-S1489 PolarHBondContact O-N 3.28Å; L1486-E1490 WeakPolarHBondContact O-CB 3.45Å; L1486-E1490 WeakPolarHBondContact O-CG 3.31Å; L1486-E1490 PolarHBondContact O-N 3.48Å |
| 1487 | A | 86 | Confident | 86.1 | Confident | 51 Ų | 51 | 99.9 Ų | 99.9 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1483 D1484 E1490 R1491 | Q1483-A1487 WeakPolarHBondContact O-CB 3.5Å; Q1483-A1487 PolarHBondContact O-N 3Å; D1484-A1487 PolarHBondContact O-N 3.14Å; A1487-E1490 PolarHBondContact O-N 3.4Å; A1487-R1491 VanDerWaalsContact O-CB 3.28Å; A1487-R1491 WeakPolarHBondContact O-CB 3.38Å; A1487-R1491 PolarHBondContact O-N 3.41Å |
| 1488 | D | 86 | Confident | 85.9 | Confident | 91 Ų | 91 | 99.1 Ų | 99.1 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 174.5 | -82.8 | -16.4 | 0 | 0 | 0 | 111.3 | D1484 E1490 R1491 Q1492 | D1484-D1488 WeakPolarHBondContact O-CB 3.38Å; D1484-D1488 PolarHBondContact O-N 3.23Å; D1488-E1490 VanDerWaalsContact C-N 3.33Å; D1488-E1490 PolarHBondContact O-N 3.38Å; D1488-R1491 PolarHBondContact O-N 3.41Å; D1488-Q1492 WeakPolarHBondContact O-CB 3.14Å; D1488-Q1492 WeakPolarHBondContact O-CG 3.47Å; D1488-Q1492 PolarHBondContact O-N 2.99Å |
| 1489 | S | 82.2 | Confident | 85.3 | Confident | 72 Ų | 72 | 100.1 Ų | 100.1 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | Q1485 L1486 R1493 | Q1485-S1489 WeakPolarHBondContact O-CB 3.32Å; Q1485-S1489 PolarHBondContact O-N 2.91Å; L1486-S1489 PolarHBondContact O-N 3.28Å; S1489-R1493 VanDerWaalsContact O-CB 3.26Å; S1489-R1493 WeakPolarHBondContact O-CB 3.49Å; S1489-R1493 PolarHBondContact O-N 2.96Å |
| 1490 | E | 85.8 | Confident | 84.8 | Confident | 77 Ų | 77 | 100.6 Ų | 100.6 | 36% | 0.36 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 172.5 | -78.3 | -170.6 | -171.9 | 0 | 0 | 112.6 | L1486 A1487 D1488 R1493 R1494 | L1486-E1490 WeakPolarHBondContact O-CB 3.45Å; L1486-E1490 WeakPolarHBondContact O-CG 3.31Å; L1486-E1490 PolarHBondContact O-N 3.48Å; A1487-E1490 PolarHBondContact O-N 3.4Å; D1488-E1490 VanDerWaalsContact C-N 3.33Å; D1488-E1490 PolarHBondContact O-N 3.38Å; E1490-R1493 PolarHBondContact O-N 2.78Å; E1490-R1494 WeakPolarHBondContact O-CG 3.26Å; E1490-R1494 PolarHBondContact O-N 2.85Å; E1490-R1494 IonicContact OE2-NH2 2.85Å; E1490-R1494 PolarHBondContact OE2-NH2 2.79Å |
| 1491 | R | 86 | Confident | 84.3 | Confident | 187 Ų | 187 | 99.9 Ų | 99.9 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.1 | -43.5 | 177.7 | -172.1 | -179.2 | -177.3 | -174.4 | 0.9 | 111 | A1487 D1488 R1493 R1494 A1495 | A1487-R1491 VanDerWaalsContact O-CB 3.28Å; A1487-R1491 WeakPolarHBondContact O-CB 3.38Å; A1487-R1491 PolarHBondContact O-N 3.41Å; D1488-R1491 PolarHBondContact O-N 3.41Å; R1491-R1493 VanDerWaalsContact C-N 3.34Å; R1491-R1494 PolarHBondContact O-N 2.93Å; R1491-A1495 VanDerWaalsContact O-CB 3.29Å; R1491-A1495 WeakPolarHBondContact O-CB 3.48Å; R1491-A1495 PolarHBondContact O-N 3.47Å |
| 1492 | Q | 85.3 | Confident | 83.6 | Confident | 129 Ų | 129 | 103.4 Ų | 103.4 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 172.3 | -77.7 | -178.7 | 0.3 | 0 | 0 | 110.7 | D1488 R1494 A1495 L1496 | D1488-Q1492 WeakPolarHBondContact O-CB 3.14Å; D1488-Q1492 WeakPolarHBondContact O-CG 3.47Å; D1488-Q1492 PolarHBondContact O-N 2.99Å; Q1492-R1494 VanDerWaalsContact C-N 3.33Å; Q1492-R1494 PolarHBondContact O-N 2.86Å; Q1492-A1495 PolarHBondContact O-N 3.39Å; Q1492-L1496 VanDerWaalsContact O-CB 3.3Å; Q1492-L1496 WeakPolarHBondContact O-CB 2.92Å; Q1492-L1496 VanDerWaalsContact O-CG 3.25Å; Q1492-L1496 WeakPolarHBondContact O-CG 3.17Å; Q1492-L1496 PolarHBondContact O-N 2.88Å |
| 1493 | R | 83.1 | Confident | 82.8 | Confident | 138 Ų | 138 | 103.6 Ų | 103.6 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 174.8 | -171.1 | -173.4 | 69.7 | 79.8 | -1.4 | 111.6 | S1489 E1490 R1491 Q1497 | S1489-R1493 VanDerWaalsContact O-CB 3.26Å; S1489-R1493 WeakPolarHBondContact O-CB 3.49Å; S1489-R1493 PolarHBondContact O-N 2.96Å; E1490-R1493 PolarHBondContact O-N 2.78Å; R1491-R1493 VanDerWaalsContact C-N 3.34Å; R1493-Q1497 VanDerWaalsContact O-CB 3.26Å; R1493-Q1497 WeakPolarHBondContact O-CB 3.33Å; R1493-Q1497 PolarHBondContact O-N 2.83Å |
| 1494 | R | 84.4 | Confident | 82.1 | Confident | 145 Ų | 145 | 102.1 Ų | 102.1 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 175.9 | -72.7 | 179.5 | -149.7 | 176.8 | 8.5 | 111.9 | E1490 R1491 Q1492 Q1497 V1498 | E1490-R1494 WeakPolarHBondContact O-CG 3.26Å; E1490-R1494 PolarHBondContact O-N 2.85Å; E1490-R1494 IonicContact OE2-NH2 2.85Å; E1490-R1494 PolarHBondContact OE2-NH2 2.79Å; R1491-R1494 PolarHBondContact O-N 2.93Å; Q1492-R1494 VanDerWaalsContact C-N 3.33Å; Q1492-R1494 PolarHBondContact O-N 2.86Å; R1494-Q1497 WeakPolarHBondContact O-CB 3.38Å; R1494-Q1497 PolarHBondContact O-N 3.03Å; R1494-V1498 WeakPolarHBondContact O-CG2 3.36Å; R1494-V1498 PolarHBondContact O-N 3.01Å |
| 1495 | A | 83.2 | Confident | 81 | Confident | 51 Ų | 51 | 101.7 Ų | 101.7 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1491 Q1492 Q1497 V1498 E1499 | R1491-A1495 VanDerWaalsContact O-CB 3.29Å; R1491-A1495 WeakPolarHBondContact O-CB 3.48Å; R1491-A1495 PolarHBondContact O-N 3.47Å; Q1492-A1495 PolarHBondContact O-N 3.39Å; A1495-Q1497 VanDerWaalsContact C-N 3.25Å; A1495-Q1497 PolarHBondContact O-N 3.44Å; A1495-V1498 PolarHBondContact O-N 3.29Å; A1495-E1499 WeakPolarHBondContact O-CB 3.33Å; A1495-E1499 PolarHBondContact O-N 3.06Å |
| 1496 | L | 81.4 | Confident | 79.9 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.7 | -33.7 | 173.3 | -73.1 | 169.5 | 0 | 0 | 0 | 112.1 | Q1492 L1500 | Q1492-L1496 VanDerWaalsContact O-CB 3.3Å; Q1492-L1496 WeakPolarHBondContact O-CB 2.92Å; Q1492-L1496 VanDerWaalsContact O-CG 3.25Å; Q1492-L1496 WeakPolarHBondContact O-CG 3.17Å; Q1492-L1496 PolarHBondContact O-N 2.88Å; L1496-L1500 VanDerWaalsContact O-CB 3.23Å; L1496-L1500 WeakPolarHBondContact O-CB 3.41Å; L1496-L1500 PolarHBondContact O-N 3.14Å |
| 1497 | Q | 83.7 | Confident | 78.5 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.6 | -41 | 175.2 | -171.9 | 165.6 | -1 | 0 | 0 | 111.5 | R1493 R1494 A1495 L1500 D1501 | R1493-Q1497 VanDerWaalsContact O-CB 3.26Å; R1493-Q1497 WeakPolarHBondContact O-CB 3.33Å; R1493-Q1497 PolarHBondContact O-N 2.83Å; R1494-Q1497 WeakPolarHBondContact O-CB 3.38Å; R1494-Q1497 PolarHBondContact O-N 3.03Å; A1495-Q1497 VanDerWaalsContact C-N 3.25Å; A1495-Q1497 PolarHBondContact O-N 3.44Å; Q1497-L1500 PolarHBondContact O-N 3.37Å; Q1497-D1501 WeakPolarHBondContact O-CB 3.13Å; Q1497-D1501 VanDerWaalsContact O-CG 3.24Å; Q1497-D1501 PolarHBondContact O-N 2.67Å |
| 1498 | V | 83.7 | Confident | 77.1 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -44 | 173.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | R1494 A1495 L1500 D1501 E1502 | R1494-V1498 WeakPolarHBondContact O-CG2 3.36Å; R1494-V1498 PolarHBondContact O-N 3.01Å; A1495-V1498 PolarHBondContact O-N 3.29Å; V1498-L1500 VanDerWaalsContact C-N 3.31Å; V1498-L1500 PolarHBondContact O-N 3.11Å; V1498-D1501 PolarHBondContact O-N 3.36Å; V1498-E1502 HydrophobicContact CG1-CG 4.36Å; V1498-E1502 WeakPolarHBondContact O-CB 3.27Å; V1498-E1502 WeakPolarHBondContact O-CG 3.47Å; V1498-E1502 PolarHBondContact O-N 2.87Å |
| 1499 | E | 77.5 | Confident | 75.5 | Confident | 109 Ų | 109 | 101.8 Ų | 101.8 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 173.3 | -83.7 | -175.4 | 165.1 | 0 | 0 | 111.1 | A1495 E1502 I1503 | A1495-E1499 WeakPolarHBondContact O-CB 3.33Å; A1495-E1499 PolarHBondContact O-N 3.06Å; E1499-E1502 PolarHBondContact O-N 3.4Å; E1499-I1503 VanDerWaalsContact O-CB 3.26Å; E1499-I1503 WeakPolarHBondContact O-CB 3.48Å; E1499-I1503 WeakPolarHBondContact O-CD1 3.28Å; E1499-I1503 WeakPolarHBondContact O-CG1 3.23Å; E1499-I1503 PolarHBondContact O-N 3.32Å |
| 1500 | L | 76.8 | Confident | 73.9 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 175.4 | -166.5 | 83.6 | 0 | 0 | 0 | 110.8 | L1496 Q1497 V1498 I1503 V1504 | L1496-L1500 VanDerWaalsContact O-CB 3.23Å; L1496-L1500 WeakPolarHBondContact O-CB 3.41Å; L1496-L1500 PolarHBondContact O-N 3.14Å; Q1497-L1500 PolarHBondContact O-N 3.37Å; V1498-L1500 VanDerWaalsContact C-N 3.31Å; V1498-L1500 PolarHBondContact O-N 3.11Å; L1500-I1503 PolarHBondContact O-N 3.05Å; L1500-V1504 VanDerWaalsContact O-CB 3.32Å; L1500-V1504 WeakPolarHBondContact O-CB 3.17Å; L1500-V1504 WeakPolarHBondContact O-CG2 3.19Å; L1500-V1504 PolarHBondContact O-N 3.29Å |
| 1501 | D | 79.4 | Confident | 72.1 | Confident | 92 Ų | 92 | 106.8 Ų | 106.8 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.4 | -71.4 | -20.3 | 0 | 0 | 0 | 111.4 | Q1497 V1498 V1504 S1505 | Q1497-D1501 WeakPolarHBondContact O-CB 3.13Å; Q1497-D1501 VanDerWaalsContact O-CG 3.24Å; Q1497-D1501 PolarHBondContact O-N 2.67Å; V1498-D1501 PolarHBondContact O-N 3.36Å; D1501-V1504 PolarHBondContact O-N 3.03Å; D1501-S1505 WeakPolarHBondContact O-CB 3.16Å; D1501-S1505 PolarHBondContact O-N 3.4Å; D1501-S1505 PolarHBondContact O-OG 3.49Å |
| 1502 | E | 74.5 | Confident | 70 | Confident | 121 Ų | 121 | 106.9 Ų | 106.9 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -46.4 | 173.9 | -79.9 | -178.1 | 172.4 | 0 | 0 | 111.2 | V1498 E1499 V1504 S1505 S1506 | V1498-E1502 HydrophobicContact CG1-CG 4.36Å; V1498-E1502 WeakPolarHBondContact O-CB 3.27Å; V1498-E1502 WeakPolarHBondContact O-CG 3.47Å; V1498-E1502 PolarHBondContact O-N 2.87Å; E1499-E1502 PolarHBondContact O-N 3.4Å; E1502-V1504 PolarHBondContact O-N 3.02Å; E1502-S1505 WeakPolarHBondContact CA-OG 3.33Å; E1502-S1505 PolarHBondContact O-N 2.85Å; E1502-S1505 PolarHBondContact O-OG 2.85Å; E1502-S1506 WeakPolarHBondContact O-CB 3.26Å; E1502-S1506 PolarHBondContact O-N 3.09Å |
| 1503 | I | 69.3 | Low | 68.4 | Low | 96 Ų | 96 | 107.2 Ų | 107.2 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.6 | -47.2 | 175.4 | -71.1 | 165.5 | 0 | 0 | 0 | 109.8 | E1499 L1500 S1505 S1506 T1507 | E1499-I1503 VanDerWaalsContact O-CB 3.26Å; E1499-I1503 WeakPolarHBondContact O-CB 3.48Å; E1499-I1503 WeakPolarHBondContact O-CD1 3.28Å; E1499-I1503 WeakPolarHBondContact O-CG1 3.23Å; E1499-I1503 PolarHBondContact O-N 3.32Å; L1500-I1503 PolarHBondContact O-N 3.05Å; I1503-S1505 VanDerWaalsContact C-N 3.32Å; I1503-S1505 PolarHBondContact O-N 3.43Å; I1503-S1506 WeakPolarHBondContact CA-OG 3.16Å; I1503-S1506 CarbonylContact O-C 3.59Å; I1503-S1506 PolarHBondContact O-N 3.46Å; I1503-S1506 VanDerWaalsContact O-N 3.1Å; I1503-S1506 PolarHBondContact O-OG 3.39Å; I1503-T1507 HydrophobicContact CG2-CG2 4.29Å; I1503-T1507 WeakPolarHBondContact O-CG2 3.16Å; I1503-T1507 PolarHBondContact O-N 3.5Å; I1503-T1507 PolarHBondContact O-OG1 3.28Å; I1503-T1507 VanDerWaalsContact O-OG1 3.06Å |
| 1504 | V | 73.4 | Confident | 67 | Low | 75 Ų | 75 | 106.5 Ų | 106.5 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.9 | -46.6 | 176.8 | 167.9 | 0 | 0 | 0 | 0 | 110.4 | L1500 D1501 E1502 S1506 T1507 D1508 | L1500-V1504 VanDerWaalsContact O-CB 3.32Å; L1500-V1504 WeakPolarHBondContact O-CB 3.17Å; L1500-V1504 WeakPolarHBondContact O-CG2 3.19Å; L1500-V1504 PolarHBondContact O-N 3.29Å; D1501-V1504 PolarHBondContact O-N 3.03Å; E1502-V1504 PolarHBondContact O-N 3.02Å; V1504-S1506 VanDerWaalsContact C-N 3.3Å; V1504-S1506 PolarHBondContact O-N 2.94Å; V1504-T1507 VanDerWaalsContact CA-OG1 3.31Å; V1504-T1507 WeakPolarHBondContact CA-OG1 3.47Å; V1504-T1507 PolarHBondContact O-N 2.98Å; V1504-T1507 PolarHBondContact O-OG1 3.32Å; V1504-D1508 PolarHBondContact O-N 3.1Å |
| 1505 | S | 66.6 | Low | 65.5 | Low | 76 Ų | 76 | 106.7 Ų | 106.7 | 53% | 0.531 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.1 | -33.6 | 177 | 80.1 | 0 | 0 | 0 | 0 | 113 | D1501 E1502 I1503 | D1501-S1505 WeakPolarHBondContact O-CB 3.16Å; D1501-S1505 PolarHBondContact O-N 3.4Å; D1501-S1505 PolarHBondContact O-OG 3.49Å; E1502-S1505 WeakPolarHBondContact CA-OG 3.33Å; E1502-S1505 PolarHBondContact O-N 2.85Å; E1502-S1505 PolarHBondContact O-OG 2.85Å; I1503-S1505 VanDerWaalsContact C-N 3.32Å; I1503-S1505 PolarHBondContact O-N 3.43Å |
| 1506 | S | 63.3 | Low | 64.2 | Low | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74 | -31.6 | 176 | 80 | 0 | 0 | 0 | 0 | 111.9 | E1502 I1503 V1504 T1509 | E1502-S1506 WeakPolarHBondContact O-CB 3.26Å; E1502-S1506 PolarHBondContact O-N 3.09Å; I1503-S1506 WeakPolarHBondContact CA-OG 3.16Å; I1503-S1506 CarbonylContact O-C 3.59Å; I1503-S1506 PolarHBondContact O-N 3.46Å; I1503-S1506 VanDerWaalsContact O-N 3.1Å; I1503-S1506 PolarHBondContact O-OG 3.39Å; V1504-S1506 VanDerWaalsContact C-N 3.3Å; V1504-S1506 PolarHBondContact O-N 2.94Å; S1506-T1509 PolarHBondContact O-OG1 3.47Å |
| 1507 | T | 58 | Low | 63 | Low | 82 Ų | 82 | 109 Ų | 109 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.2 | -25.2 | -179.4 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | I1503 V1504 T1509 | I1503-T1507 HydrophobicContact CG2-CG2 4.29Å; I1503-T1507 WeakPolarHBondContact O-CG2 3.16Å; I1503-T1507 PolarHBondContact O-N 3.5Å; I1503-T1507 PolarHBondContact O-OG1 3.28Å; I1503-T1507 VanDerWaalsContact O-OG1 3.06Å; V1504-T1507 VanDerWaalsContact CA-OG1 3.31Å; V1504-T1507 WeakPolarHBondContact CA-OG1 3.47Å; V1504-T1507 PolarHBondContact O-N 2.98Å; V1504-T1507 PolarHBondContact O-OG1 3.32Å; T1507-T1509 PolarHBondContact O-N 3.28Å |
| 1508 | D | 56.2 | Low | 62.1 | Low | 146 Ų | 146 | 109.3 Ų | 109.3 | 78% | 0.781 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -2.1 | 178.4 | -100.3 | -5.5 | 0 | 0 | 0 | 114.1 | V1504 | V1504-D1508 PolarHBondContact O-N 3.1Š|
| 1509 | T | 51 | Low | 61.3 | Low | 93 Ų | 93 | 113 Ų | 113 | 57% | 0.571 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 8.9 | -177.5 | 61.7 | 0 | 0 | 0 | 0 | 115.4 | S1506 T1507 | S1506-T1509 PolarHBondContact O-OG1 3.47Å; T1507-T1509 PolarHBondContact O-N 3.28Å |
| 1510 | Y | 50.1 | Low | 60.7 | Low | 206 Ų | 206 | 109.8 Ų | 109.8 | 81% | 0.808 | 58% | 0.58 | S | S | * | * | trans | -102.9 | 59.5 | -174.4 | -87.4 | -89.2 | 0 | 0 | 0 | 114.5 | ||||
| 1511 | G | 48.3 | Very low | 60.5 | Low | 47 Ų | 47 | 110.5 Ų | 110.5 | 49% | 0.485 | 58% | 0.579 | S | S | . | * | trans | -148.3 | 81.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | E1516 | G1511-E1516 PolarHBondContact N-OE2 3.5Š| ||
| 1512 | K | 42 | Very low | 60.3 | Low | 190 Ų | 190 | 113.7 Ų | 113.7 | 83% | 0.826 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 68.7 | 92.6 | 155.5 | -56.5 | 177.3 | -177.8 | 173.6 | 0 | 118.4 | E1516 | K1512-E1516 PolarHBondContact N-OE2 3.28Š|
| 1513 | N | 51.4 | Low | 60.1 | Low | 136 Ų | 136 | 110.6 Ų | 110.6 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | trans | 164.1 | 158.2 | 130.1 | -90.2 | -35.1 | 0 | 0 | 0 | 110.4 | H1515 E1516 | N1513-H1515 PolarHBondContact O-N 3.48Å; N1513-E1516 WeakPolarHBondContact O-CB 3.15Å; N1513-E1516 PolarHBondContact O-N 2.88Å | ||
| 1514 | V | 52.2 | Low | 60.4 | Low | 122 Ų | 122 | 111.2 Ų | 111.2 | 74% | 0.739 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -48.8 | -26 | -177.6 | 169.4 | 0 | 0 | 0 | 0 | 114.6 | E1516 L1517 | V1514-E1516 VanDerWaalsContact C-N 3.31Å; V1514-E1516 PolarHBondContact O-N 3.1Å; V1514-L1517 PolarHBondContact O-N 3.3Å |
| 1515 | H | 53.7 | Low | 60.6 | Low | 150 Ų | 150 | 112 Ų | 112 | 69% | 0.694 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.7 | -21.4 | 175.1 | -119.4 | 8.6 | 0 | 0 | 0 | 114.3 | N1513 E1518 K1519 | N1513-H1515 PolarHBondContact O-N 3.48Å; H1515-E1518 IonicContact CE1-OE2 2.81Å; H1515-E1518 IonicContact ND1-OE2 3.55Å; H1515-E1518 PolarHBondContact ND1-OE2 2.87Å; H1515-K1519 PolarHBondContact O-N 3.24Å |
| 1516 | E | 55.9 | Low | 61.3 | Low | 77 Ų | 77 | 113.6 Ų | 113.6 | 36% | 0.36 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -78.8 | -25.3 | 173 | -68.9 | -170.5 | 156.6 | 0 | 0 | 112.5 | G1511 K1512 N1513 V1514 E1518 K1519 A1520 | G1511-E1516 PolarHBondContact N-OE2 3.5Å; K1512-E1516 PolarHBondContact N-OE2 3.28Å; N1513-E1516 WeakPolarHBondContact O-CB 3.15Å; N1513-E1516 PolarHBondContact O-N 2.88Å; V1514-E1516 VanDerWaalsContact C-N 3.31Å; V1514-E1516 PolarHBondContact O-N 3.1Å; E1516-E1518 VanDerWaalsContact C-N 3.31Å; E1516-E1518 PolarHBondContact O-N 3.43Å; E1516-K1519 CarbonylContact O-C 3.52Å; E1516-K1519 PolarHBondContact O-N 2.88Å; E1516-A1520 VanDerWaalsContact O-CB 3.28Å; E1516-A1520 WeakPolarHBondContact O-CB 3.44Å; E1516-A1520 PolarHBondContact O-N 3.08Å |
| 1517 | L | 57.2 | Low | 62 | Low | 128 Ų | 128 | 116.6 Ų | 116.6 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.8 | -34.8 | 172.4 | -100.9 | 162.2 | 0 | 0 | 0 | 111.7 | V1514 K1521 | V1514-L1517 PolarHBondContact O-N 3.3Å; L1517-K1521 WeakPolarHBondContact O-CA 3.49Å; L1517-K1521 WeakPolarHBondContact O-CB 3.3Å; L1517-K1521 PolarHBondContact O-N 2.86Å |
| 1518 | E | 63.9 | Low | 63.1 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 48% | 0.477 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.3 | -35.7 | 171.1 | -102.9 | 173.2 | 157.3 | 0 | 0 | 112.2 | H1515 E1516 R1522 | H1515-E1518 IonicContact CE1-OE2 2.81Å; H1515-E1518 IonicContact ND1-OE2 3.55Å; H1515-E1518 PolarHBondContact ND1-OE2 2.87Å; E1516-E1518 VanDerWaalsContact C-N 3.31Å; E1516-E1518 PolarHBondContact O-N 3.43Å; E1518-R1522 WeakPolarHBondContact O-CB 3.33Å; E1518-R1522 VanDerWaalsContact O-CG 3.26Å; E1518-R1522 WeakPolarHBondContact O-CG 3.31Å; E1518-R1522 PolarHBondContact O-N 2.78Å |
| 1519 | K | 66.4 | Low | 64.4 | Low | 157 Ų | 157 | 111.9 Ų | 111.9 | 68% | 0.683 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.3 | -42.8 | 173.3 | -103.5 | -176.3 | 174.7 | -174.5 | 0 | 112.6 | H1515 E1516 R1522 A1523 | H1515-K1519 PolarHBondContact O-N 3.24Å; E1516-K1519 CarbonylContact O-C 3.52Å; E1516-K1519 PolarHBondContact O-N 2.88Å; K1519-R1522 PolarHBondContact O-N 3.04Å; K1519-A1523 WeakPolarHBondContact O-CB 3.31Å; K1519-A1523 PolarHBondContact O-N 3.26Å |
| 1520 | A | 65.2 | Low | 66 | Low | 40 Ų | 40 | 111 Ų | 111 | 33% | 0.331 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.3 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | E1516 A1523 L1524 | E1516-A1520 VanDerWaalsContact O-CB 3.28Å; E1516-A1520 WeakPolarHBondContact O-CB 3.44Å; E1516-A1520 PolarHBondContact O-N 3.08Å; A1520-A1523 PolarHBondContact O-N 3.05Å; A1520-L1524 VanDerWaalsContact O-CB 3.31Å; A1520-L1524 WeakPolarHBondContact O-CB 3.48Å; A1520-L1524 WeakPolarHBondContact O-CG 3.48Å; A1520-L1524 PolarHBondContact O-N 3.31Å |
| 1521 | K | 73.1 | Confident | 67.5 | Low | 123 Ų | 123 | 104.5 Ų | 104.5 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 169.1 | 179.2 | -176.4 | 164.8 | -173.3 | 0 | 110.8 | L1517 L1524 E1525 | L1517-K1521 WeakPolarHBondContact O-CA 3.49Å; L1517-K1521 WeakPolarHBondContact O-CB 3.3Å; L1517-K1521 PolarHBondContact O-N 2.86Å; K1521-L1524 CarbonylContact O-C 3.58Å; K1521-L1524 PolarHBondContact O-N 3.46Å; K1521-E1525 WeakPolarHBondContact CE-OE1 3.28Å; K1521-E1525 HydrophobicContact CG-CG 4.32Å; K1521-E1525 IonicContact NZ-OE1 3.87Å; K1521-E1525 VanDerWaalsContact O-CB 3.29Å; K1521-E1525 WeakPolarHBondContact O-CB 3.47Å; K1521-E1525 VanDerWaalsContact O-CG 3.23Å; K1521-E1525 WeakPolarHBondContact O-CG 3.44Å; K1521-E1525 PolarHBondContact O-N 3.4Å |
| 1522 | R | 74.5 | Confident | 69.2 | Low | 158 Ų | 158 | 110.3 Ų | 110.3 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.6 | -41.2 | 175.3 | -79.1 | 177.6 | -172.6 | 170.3 | 5.7 | 112.3 | E1518 K1519 E1525 D1526 | E1518-R1522 WeakPolarHBondContact O-CB 3.33Å; E1518-R1522 VanDerWaalsContact O-CG 3.26Å; E1518-R1522 WeakPolarHBondContact O-CG 3.31Å; E1518-R1522 PolarHBondContact O-N 2.78Å; K1519-R1522 PolarHBondContact O-N 3.04Å; R1522-E1525 CarbonylContact O-C 3.51Å; R1522-E1525 PolarHBondContact O-N 3Å; R1522-D1526 WeakPolarHBondContact O-CB 3.15Å; R1522-D1526 VanDerWaalsContact O-CG 3.29Å; R1522-D1526 PolarHBondContact O-N 3.49Å |
| 1523 | A | 71.7 | Confident | 71.4 | Confident | 56 Ų | 56 | 104.9 Ų | 104.9 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1519 A1520 D1526 E1527 | K1519-A1523 WeakPolarHBondContact O-CB 3.31Å; K1519-A1523 PolarHBondContact O-N 3.26Å; A1520-A1523 PolarHBondContact O-N 3.05Å; A1523-D1526 PolarHBondContact O-N 2.91Å; A1523-E1527 VanDerWaalsContact O-CB 3.3Å; A1523-E1527 WeakPolarHBondContact O-CB 3.18Å; A1523-E1527 PolarHBondContact O-N 3.03Å |
| 1524 | L | 74.8 | Confident | 73.1 | Confident | 109 Ų | 109 | 103.6 Ų | 103.6 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.3 | -33.5 | 172.5 | -77.2 | 169.4 | 0 | 0 | 0 | 112.4 | A1520 K1521 L1528 | A1520-L1524 VanDerWaalsContact O-CB 3.31Å; A1520-L1524 WeakPolarHBondContact O-CB 3.48Å; A1520-L1524 WeakPolarHBondContact O-CG 3.48Å; A1520-L1524 PolarHBondContact O-N 3.31Å; K1521-L1524 CarbonylContact O-C 3.58Å; K1521-L1524 PolarHBondContact O-N 3.46Å; L1524-L1528 WeakPolarHBondContact O-CB 3.39Å; L1524-L1528 PolarHBondContact O-N 2.87Å |
| 1525 | E | 78.1 | Confident | 74.5 | Confident | 91 Ų | 91 | 103.2 Ų | 103.2 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 173.3 | -78.5 | 173 | 159.3 | 0 | 0 | 110.9 | K1521 R1522 A1529 | K1521-E1525 WeakPolarHBondContact CE-OE1 3.28Å; K1521-E1525 HydrophobicContact CG-CG 4.32Å; K1521-E1525 IonicContact NZ-OE1 3.87Å; K1521-E1525 VanDerWaalsContact O-CB 3.29Å; K1521-E1525 WeakPolarHBondContact O-CB 3.47Å; K1521-E1525 VanDerWaalsContact O-CG 3.23Å; K1521-E1525 WeakPolarHBondContact O-CG 3.44Å; K1521-E1525 PolarHBondContact O-N 3.4Å; R1522-E1525 CarbonylContact O-C 3.51Å; R1522-E1525 PolarHBondContact O-N 3Å; E1525-A1529 WeakPolarHBondContact O-CB 3.45Å; E1525-A1529 PolarHBondContact O-N 3.44Å |
| 1526 | D | 81.5 | Confident | 76 | Confident | 111 Ų | 111 | 98 Ų | 98 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.5 | -43.4 | 173.2 | -74.6 | -17.8 | 0 | 0 | 0 | 110.6 | R1522 A1523 A1529 T1530 | R1522-D1526 WeakPolarHBondContact O-CB 3.15Å; R1522-D1526 VanDerWaalsContact O-CG 3.29Å; R1522-D1526 PolarHBondContact O-N 3.49Å; A1523-D1526 PolarHBondContact O-N 2.91Å; D1526-A1529 WeakPolarHBondContact O-CB 2.87Å; D1526-A1529 PolarHBondContact O-N 3.36Å; D1526-T1530 WeakPolarHBondContact O-CB 3.43Å; D1526-T1530 PolarHBondContact O-N 3.27Å; D1526-T1530 PolarHBondContact O-OG1 3.31Å |
| 1527 | E | 77.4 | Confident | 77.6 | Confident | 124 Ų | 124 | 99.6 Ų | 99.6 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -43.7 | 176.7 | -164.1 | 176.6 | -163.8 | 0 | 0 | 111.2 | A1523 A1529 T1530 V1531 | A1523-E1527 VanDerWaalsContact O-CB 3.3Å; A1523-E1527 WeakPolarHBondContact O-CB 3.18Å; A1523-E1527 PolarHBondContact O-N 3.03Å; E1527-A1529 VanDerWaalsContact C-N 3.33Å; E1527-A1529 PolarHBondContact O-N 2.79Å; E1527-T1530 WeakPolarHBondContact O-CB 3.36Å; E1527-T1530 PolarHBondContact O-N 2.9Å; E1527-V1531 WeakPolarHBondContact O-CG2 3.43Å; E1527-V1531 PolarHBondContact O-N 2.97Å |
| 1528 | L | 80.3 | Confident | 79 | Confident | 85 Ų | 85 | 98 Ų | 98 | 45% | 0.445 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 172.5 | -172.1 | 102.7 | 0 | 0 | 0 | 111.7 | L1524 T1530 R1532 | L1524-L1528 WeakPolarHBondContact O-CB 3.39Å; L1524-L1528 PolarHBondContact O-N 2.87Å; L1528-T1530 VanDerWaalsContact C-N 3.34Å; L1528-R1532 VanDerWaalsContact O-CB 3.24Å; L1528-R1532 WeakPolarHBondContact O-CB 3.03Å; L1528-R1532 WeakPolarHBondContact O-CG 2.98Å; L1528-R1532 PolarHBondContact O-N 3.21Å |
| 1529 | A | 84.2 | Confident | 80.1 | Confident | 44 Ų | 44 | 98.9 Ų | 98.9 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | E1525 D1526 E1527 R1532 T1533 | E1525-A1529 WeakPolarHBondContact O-CB 3.45Å; E1525-A1529 PolarHBondContact O-N 3.44Å; D1526-A1529 WeakPolarHBondContact O-CB 2.87Å; D1526-A1529 PolarHBondContact O-N 3.36Å; E1527-A1529 VanDerWaalsContact C-N 3.33Å; E1527-A1529 PolarHBondContact O-N 2.79Å; A1529-R1532 PolarHBondContact O-N 2.8Å; A1529-T1533 WeakPolarHBondContact O-CB 3.26Å; A1529-T1533 PolarHBondContact O-N 3.22Å; A1529-T1533 PolarHBondContact O-OG1 3.43Å |
| 1530 | T | 84 | Confident | 81.2 | Confident | 76 Ų | 76 | 96 Ų | 96 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 176.4 | -47 | 0 | 0 | 0 | 0 | 110.6 | D1526 E1527 L1528 T1533 Q1534 | D1526-T1530 WeakPolarHBondContact O-CB 3.43Å; D1526-T1530 PolarHBondContact O-N 3.27Å; D1526-T1530 PolarHBondContact O-OG1 3.31Å; E1527-T1530 WeakPolarHBondContact O-CB 3.36Å; E1527-T1530 PolarHBondContact O-N 2.9Å; L1528-T1530 VanDerWaalsContact C-N 3.34Å; T1530-T1533 WeakPolarHBondContact O-CB 3.31Å; T1530-T1533 PolarHBondContact O-N 3.17Å; T1530-Q1534 WeakPolarHBondContact O-CG 3.39Å; T1530-Q1534 PolarHBondContact O-N 3.33Å |
| 1531 | V | 82.1 | Confident | 82.4 | Confident | 69 Ų | 69 | 98.5 Ų | 98.5 | 42% | 0.418 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | E1527 T1533 Q1534 M1535 | E1527-V1531 WeakPolarHBondContact O-CG2 3.43Å; E1527-V1531 PolarHBondContact O-N 2.97Å; V1531-T1533 VanDerWaalsContact C-N 3.32Å; V1531-T1533 PolarHBondContact O-N 3.05Å; V1531-Q1534 PolarHBondContact O-N 3.21Å; V1531-M1535 HydrophobicContact CG1-CG 4.38Å; V1531-M1535 WeakPolarHBondContact O-CG 3.36Å; V1531-M1535 PolarHBondContact O-N 3.04Å |
| 1532 | R | 84.6 | Confident | 83.2 | Confident | 168 Ų | 168 | 97.6 Ų | 97.6 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -38.7 | 173.6 | -79.8 | 174.4 | 174.6 | 170.4 | -0.2 | 111.9 | L1528 A1529 M1535 A1536 | L1528-R1532 VanDerWaalsContact O-CB 3.24Å; L1528-R1532 WeakPolarHBondContact O-CB 3.03Å; L1528-R1532 WeakPolarHBondContact O-CG 2.98Å; L1528-R1532 PolarHBondContact O-N 3.21Å; A1529-R1532 PolarHBondContact O-N 2.8Å; R1532-M1535 PolarHBondContact O-N 2.84Å; R1532-A1536 VanDerWaalsContact O-CB 3.29Å; R1532-A1536 WeakPolarHBondContact O-CB 3.2Å; R1532-A1536 PolarHBondContact O-N 2.91Å |
| 1533 | T | 87.1 | Confident | 83.9 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | A1529 T1530 V1531 A1536 E1537 | A1529-T1533 WeakPolarHBondContact O-CB 3.26Å; A1529-T1533 PolarHBondContact O-N 3.22Å; A1529-T1533 PolarHBondContact O-OG1 3.43Å; T1530-T1533 WeakPolarHBondContact O-CB 3.31Å; T1530-T1533 PolarHBondContact O-N 3.17Å; V1531-T1533 VanDerWaalsContact C-N 3.32Å; V1531-T1533 PolarHBondContact O-N 3.05Å; T1533-A1536 PolarHBondContact O-N 2.78Å; T1533-E1537 WeakPolarHBondContact O-CB 3.39Å; T1533-E1537 VanDerWaalsContact O-CG 3.31Å; T1533-E1537 WeakPolarHBondContact O-CG 3.37Å; T1533-E1537 PolarHBondContact O-N 3.04Å |
| 1534 | Q | 86.8 | Confident | 84.8 | Confident | 108 Ų | 108 | 97.7 Ų | 97.7 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 174.7 | -71.8 | 175.8 | -7.9 | 0 | 0 | 113.2 | T1530 V1531 E1537 V1538 | T1530-Q1534 WeakPolarHBondContact O-CG 3.39Å; T1530-Q1534 PolarHBondContact O-N 3.33Å; V1531-Q1534 PolarHBondContact O-N 3.21Å; Q1534-E1537 PolarHBondContact O-N 3.18Å; Q1534-V1538 WeakPolarHBondContact O-CB 3.44Å; Q1534-V1538 VanDerWaalsContact O-CG2 3.28Å; Q1534-V1538 WeakPolarHBondContact O-CG2 2.93Å; Q1534-V1538 PolarHBondContact O-N 3.33Å |
| 1535 | M | 82 | Confident | 85.5 | Confident | 115 Ų | 115 | 97.5 Ų | 97.5 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 174.9 | -73.2 | -168.2 | 89.4 | 0 | 0 | 111 | V1531 R1532 V1538 E1539 | V1531-M1535 HydrophobicContact CG1-CG 4.38Å; V1531-M1535 WeakPolarHBondContact O-CG 3.36Å; V1531-M1535 PolarHBondContact O-N 3.04Å; R1532-M1535 PolarHBondContact O-N 2.84Å; M1535-V1538 PolarHBondContact O-N 2.75Å; M1535-E1539 WeakPolarHBondContact O-CB 3.09Å; M1535-E1539 WeakPolarHBondContact O-CG 3.47Å; M1535-E1539 PolarHBondContact O-N 2.94Å |
| 1536 | A | 86.1 | Confident | 86.2 | Confident | 41 Ų | 41 | 97.3 Ų | 97.3 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1532 T1533 V1538 E1539 D1540 | R1532-A1536 VanDerWaalsContact O-CB 3.29Å; R1532-A1536 WeakPolarHBondContact O-CB 3.2Å; R1532-A1536 PolarHBondContact O-N 2.91Å; T1533-A1536 PolarHBondContact O-N 2.78Å; A1536-V1538 VanDerWaalsContact C-N 3.34Å; A1536-V1538 PolarHBondContact O-N 2.72Å; A1536-E1539 PolarHBondContact O-N 2.96Å; A1536-D1540 VanDerWaalsContact O-CB 3.24Å; A1536-D1540 WeakPolarHBondContact O-CB 3.49Å; A1536-D1540 VanDerWaalsContact O-CG 3.23Å; A1536-D1540 PolarHBondContact O-N 3.29Å |
| 1537 | E | 88.1 | Confident | 86.6 | Confident | 110 Ų | 110 | 95.7 Ų | 95.7 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 174.5 | -76.2 | 175.5 | -177.6 | 0 | 0 | 112.4 | T1533 Q1534 N1541 | T1533-E1537 WeakPolarHBondContact O-CB 3.39Å; T1533-E1537 VanDerWaalsContact O-CG 3.31Å; T1533-E1537 WeakPolarHBondContact O-CG 3.37Å; T1533-E1537 PolarHBondContact O-N 3.04Å; Q1534-E1537 PolarHBondContact O-N 3.18Å; E1537-N1541 WeakPolarHBondContact O-CB 3.37Å; E1537-N1541 PolarHBondContact O-N 3.16Å; E1537-N1541 PolarHBondContact O-ND2 3.03Å |
| 1538 | V | 87.7 | Confident | 87.3 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -72.4 | -40.5 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | Q1534 M1535 A1536 N1541 L1542 | Q1534-V1538 WeakPolarHBondContact O-CB 3.44Å; Q1534-V1538 VanDerWaalsContact O-CG2 3.28Å; Q1534-V1538 WeakPolarHBondContact O-CG2 2.93Å; Q1534-V1538 PolarHBondContact O-N 3.33Å; M1535-V1538 PolarHBondContact O-N 2.75Å; A1536-V1538 VanDerWaalsContact C-N 3.34Å; A1536-V1538 PolarHBondContact O-N 2.72Å; V1538-N1541 PolarHBondContact O-N 2.97Å; V1538-L1542 VanDerWaalsContact O-CB 3.24Å; V1538-L1542 WeakPolarHBondContact O-CB 3.19Å; V1538-L1542 PolarHBondContact O-N 3.3Å |
| 1539 | E | 87.5 | Confident | 87.8 | Confident | 119 Ų | 119 | 95.1 Ų | 95.1 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 174.4 | -75 | 177.2 | 171.2 | 0 | 0 | 111 | M1535 A1536 L1542 Q1543 | M1535-E1539 WeakPolarHBondContact O-CB 3.09Å; M1535-E1539 WeakPolarHBondContact O-CG 3.47Å; M1535-E1539 PolarHBondContact O-N 2.94Å; A1536-E1539 PolarHBondContact O-N 2.96Å; E1539-L1542 PolarHBondContact O-N 3.4Å; E1539-Q1543 VanDerWaalsContact O-CB 3.26Å; E1539-Q1543 WeakPolarHBondContact O-CB 3.38Å; E1539-Q1543 PolarHBondContact O-N 2.67Å |
| 1540 | D | 89.1 | Confident | 88.2 | Confident | 97 Ų | 97 | 97.9 Ų | 97.9 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 173.8 | -76.7 | -15.2 | 0 | 0 | 0 | 110.8 | A1536 L1542 Q1543 I1544 | A1536-D1540 VanDerWaalsContact O-CB 3.24Å; A1536-D1540 WeakPolarHBondContact O-CB 3.49Å; A1536-D1540 VanDerWaalsContact O-CG 3.23Å; A1536-D1540 PolarHBondContact O-N 3.29Å; D1540-L1542 PolarHBondContact O-N 3.44Å; D1540-Q1543 PolarHBondContact O-N 2.72Å; D1540-I1544 WeakPolarHBondContact O-CB 3.06Å; D1540-I1544 WeakPolarHBondContact O-CD1 3.38Å; D1540-I1544 WeakPolarHBondContact O-CG1 3.4Å; D1540-I1544 PolarHBondContact O-N 2.68Å |
| 1541 | N | 89.5 | Confident | 88.5 | Confident | 93 Ų | 93 | 102.3 Ų | 102.3 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 176 | -79.5 | -45.9 | 0 | 0 | 0 | 112.5 | E1537 V1538 N1545 | E1537-N1541 WeakPolarHBondContact O-CB 3.37Å; E1537-N1541 PolarHBondContact O-N 3.16Å; E1537-N1541 PolarHBondContact O-ND2 3.03Å; V1538-N1541 PolarHBondContact O-N 2.97Å; N1541-N1545 WeakPolarHBondContact O-CB 3.08Å; N1541-N1545 PolarHBondContact O-N 2.76Å; N1541-N1545 PolarHBondContact O-ND2 3.21Å |
| 1542 | L | 89.8 | Confident | 88.9 | Confident | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 175.3 | 179.8 | 64.5 | 0 | 0 | 0 | 110.2 | V1538 E1539 D1540 N1545 E1546 | V1538-L1542 VanDerWaalsContact O-CB 3.24Å; V1538-L1542 WeakPolarHBondContact O-CB 3.19Å; V1538-L1542 PolarHBondContact O-N 3.3Å; E1539-L1542 PolarHBondContact O-N 3.4Å; D1540-L1542 PolarHBondContact O-N 3.44Å; L1542-N1545 CarbonylContact O-C 3.54Å; L1542-N1545 WeakPolarHBondContact O-CB 3.49Å; L1542-N1545 PolarHBondContact O-N 3.24Å; L1542-N1545 VanDerWaalsContact O-N 3.16Å; L1542-E1546 HydrophobicContact CD1-CG 4.39Å; L1542-E1546 HydrophobicContact CG-CG 4.5Å; L1542-E1546 WeakPolarHBondContact O-CG 3.38Å; L1542-E1546 PolarHBondContact O-N 3.38Å |
| 1543 | Q | 90.3 | Very high | 89.1 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 179.4 | -174.8 | 157.8 | -15.2 | 0 | 0 | 111.7 | E1539 D1540 N1545 E1546 D1547 | E1539-Q1543 VanDerWaalsContact O-CB 3.26Å; E1539-Q1543 WeakPolarHBondContact O-CB 3.38Å; E1539-Q1543 PolarHBondContact O-N 2.67Å; D1540-Q1543 PolarHBondContact O-N 2.72Å; Q1543-N1545 VanDerWaalsContact C-N 3.33Å; Q1543-N1545 PolarHBondContact O-N 3.16Å; Q1543-E1546 PolarHBondContact O-N 3.31Å; Q1543-D1547 WeakPolarHBondContact O-CB 3.1Å; Q1543-D1547 PolarHBondContact O-N 3.24Å |
| 1544 | I | 90.6 | Very high | 89.3 | Confident | 96 Ų | 96 | 102 Ų | 102 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 171.9 | -69.4 | 164.7 | 0 | 0 | 0 | 110.6 | D1540 D1547 V1548 | D1540-I1544 WeakPolarHBondContact O-CB 3.06Å; D1540-I1544 WeakPolarHBondContact O-CD1 3.38Å; D1540-I1544 WeakPolarHBondContact O-CG1 3.4Å; D1540-I1544 PolarHBondContact O-N 2.68Å; I1544-D1547 PolarHBondContact O-N 3.14Å; I1544-V1548 HydrophobicContact CG2-CG2 4.46Å; I1544-V1548 WeakPolarHBondContact O-CB 3.26Å; I1544-V1548 WeakPolarHBondContact O-CG2 3.37Å; I1544-V1548 PolarHBondContact O-N 3.07Å |
| 1545 | N | 89.5 | Confident | 89.5 | Confident | 106 Ų | 106 | 101.5 Ų | 101.5 | 57% | 0.567 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -38.8 | 177.9 | -82.7 | -54.9 | 0 | 0 | 0 | 112.9 | N1541 L1542 Q1543 V1548 R1549 | N1541-N1545 WeakPolarHBondContact O-CB 3.08Å; N1541-N1545 PolarHBondContact O-N 2.76Å; N1541-N1545 PolarHBondContact O-ND2 3.21Å; L1542-N1545 CarbonylContact O-C 3.54Å; L1542-N1545 WeakPolarHBondContact O-CB 3.49Å; L1542-N1545 PolarHBondContact O-N 3.24Å; L1542-N1545 VanDerWaalsContact O-N 3.16Å; Q1543-N1545 VanDerWaalsContact C-N 3.33Å; Q1543-N1545 PolarHBondContact O-N 3.16Å; N1545-V1548 PolarHBondContact O-N 2.85Å; N1545-R1549 WeakPolarHBondContact O-CB 3.13Å; N1545-R1549 PolarHBondContact O-N 3.45Å |
| 1546 | E | 91.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 175.4 | -71.2 | -156.7 | 128.6 | 0 | 0 | 111.9 | L1542 Q1543 V1548 R1549 L1550 | L1542-E1546 HydrophobicContact CD1-CG 4.39Å; L1542-E1546 HydrophobicContact CG-CG 4.5Å; L1542-E1546 WeakPolarHBondContact O-CG 3.38Å; L1542-E1546 PolarHBondContact O-N 3.38Å; Q1543-E1546 PolarHBondContact O-N 3.31Å; E1546-V1548 VanDerWaalsContact C-N 3.35Å; E1546-R1549 PolarHBondContact O-N 3.34Å; E1546-R1549 IonicContact OE1-NH2 3.42Å; E1546-R1549 PolarHBondContact OE1-NH2 3.38Å; E1546-L1550 VanDerWaalsContact O-CB 3.29Å; E1546-L1550 WeakPolarHBondContact O-CB 3.38Å; E1546-L1550 PolarHBondContact O-N 3.35Å |
| 1547 | D | 91.1 | Very high | 90 | Very high | 77 Ų | 77 | 105.2 Ų | 105.2 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.2 | -80.6 | -10.9 | 0 | 0 | 0 | 111.3 | Q1543 I1544 L1550 R1551 | Q1543-D1547 WeakPolarHBondContact O-CB 3.1Å; Q1543-D1547 PolarHBondContact O-N 3.24Å; I1544-D1547 PolarHBondContact O-N 3.14Å; D1547-L1550 PolarHBondContact O-N 3.21Å; D1547-R1551 WeakPolarHBondContact O-CB 3.11Å; D1547-R1551 VanDerWaalsContact O-CG 3.25Å; D1547-R1551 WeakPolarHBondContact O-CG 3.23Å; D1547-R1551 PolarHBondContact O-N 2.63Å |
| 1548 | V | 91.2 | Very high | 90.1 | Very high | 70 Ų | 70 | 102.6 Ų | 102.6 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | I1544 N1545 E1546 L1550 R1551 L1552 | I1544-V1548 HydrophobicContact CG2-CG2 4.46Å; I1544-V1548 WeakPolarHBondContact O-CB 3.26Å; I1544-V1548 WeakPolarHBondContact O-CG2 3.37Å; I1544-V1548 PolarHBondContact O-N 3.07Å; N1545-V1548 PolarHBondContact O-N 2.85Å; E1546-V1548 VanDerWaalsContact C-N 3.35Å; V1548-L1550 PolarHBondContact O-N 2.59Å; V1548-R1551 PolarHBondContact O-N 3.46Å; V1548-L1552 HydrophobicContact CG1-CD1 4.08Å; V1548-L1552 WeakPolarHBondContact O-CB 3.09Å; V1548-L1552 WeakPolarHBondContact O-CG 3.48Å; V1548-L1552 PolarHBondContact O-N 3.42Å |
| 1549 | R | 91.8 | Very high | 90.3 | Very high | 127 Ų | 127 | 103.3 Ų | 103.3 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 175 | -176.3 | -172.7 | 69.1 | -158.4 | -9.6 | 111.1 | N1545 E1546 L1552 E1553 | N1545-R1549 WeakPolarHBondContact O-CB 3.13Å; N1545-R1549 PolarHBondContact O-N 3.45Å; E1546-R1549 PolarHBondContact O-N 3.34Å; E1546-R1549 IonicContact OE1-NH2 3.42Å; E1546-R1549 PolarHBondContact OE1-NH2 3.38Å; R1549-L1552 WeakPolarHBondContact O-CB 3.05Å; R1549-L1552 PolarHBondContact O-N 2.64Å; R1549-E1553 WeakPolarHBondContact O-CG 2.98Å; R1549-E1553 PolarHBondContact O-N 2.67Å |
| 1550 | L | 91.2 | Very high | 90.3 | Very high | 102 Ų | 102 | 103.6 Ų | 103.6 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -38.8 | -177 | -156.9 | 136.9 | 0 | 0 | 0 | 111.2 | E1546 D1547 V1548 E1553 V1554 | E1546-L1550 VanDerWaalsContact O-CB 3.29Å; E1546-L1550 WeakPolarHBondContact O-CB 3.38Å; E1546-L1550 PolarHBondContact O-N 3.35Å; D1547-L1550 PolarHBondContact O-N 3.21Å; V1548-L1550 PolarHBondContact O-N 2.59Å; L1550-E1553 PolarHBondContact O-N 2.64Å; L1550-V1554 HydrophobicContact CD2-CG2 4.29Å; L1550-V1554 WeakPolarHBondContact O-CB 3.42Å; L1550-V1554 VanDerWaalsContact O-CG2 3.3Å; L1550-V1554 WeakPolarHBondContact O-CG2 3.49Å; L1550-V1554 PolarHBondContact O-N 3.38Å |
| 1551 | R | 90.8 | Very high | 90.4 | Very high | 168 Ų | 168 | 101.6 Ų | 101.6 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -43.7 | 169.4 | -73.7 | 177.1 | -162.1 | -172.8 | 7.4 | 112 | D1547 V1548 V1554 N1555 | D1547-R1551 WeakPolarHBondContact O-CB 3.11Å; D1547-R1551 VanDerWaalsContact O-CG 3.25Å; D1547-R1551 WeakPolarHBondContact O-CG 3.23Å; D1547-R1551 PolarHBondContact O-N 2.63Å; V1548-R1551 PolarHBondContact O-N 3.46Å; R1551-V1554 PolarHBondContact O-N 2.62Å; R1551-N1555 VanDerWaalsContact O-CB 3.29Å; R1551-N1555 WeakPolarHBondContact O-CB 3.29Å; R1551-N1555 VanDerWaalsContact O-CG 3.22Å; R1551-N1555 PolarHBondContact O-N 2.5Å; R1551-N1555 PolarHBondContact O-ND2 2.68Å |
| 1552 | L | 90 | Very high | 90.4 | Very high | 110 Ų | 110 | 102.6 Ų | 102.6 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 176.2 | -78.4 | 167 | 0 | 0 | 0 | 111.9 | V1548 R1549 N1555 L1556 | V1548-L1552 HydrophobicContact CG1-CD1 4.08Å; V1548-L1552 WeakPolarHBondContact O-CB 3.09Å; V1548-L1552 WeakPolarHBondContact O-CG 3.48Å; V1548-L1552 PolarHBondContact O-N 3.42Å; R1549-L1552 WeakPolarHBondContact O-CB 3.05Å; R1549-L1552 PolarHBondContact O-N 2.64Å; L1552-N1555 PolarHBondContact O-N 3.34Å; L1552-L1556 VanDerWaalsContact O-CB 3.23Å; L1552-L1556 WeakPolarHBondContact O-CB 3.48Å; L1552-L1556 PolarHBondContact O-N 2.71Å |
| 1553 | E | 90.1 | Very high | 90.4 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.1 | -76.8 | -178.4 | 178.7 | 0 | 0 | 112.2 | R1549 L1550 L1556 Q1557 | R1549-E1553 WeakPolarHBondContact O-CG 2.98Å; R1549-E1553 PolarHBondContact O-N 2.67Å; L1550-E1553 PolarHBondContact O-N 2.64Å; E1553-L1556 PolarHBondContact O-N 3.37Å; E1553-Q1557 WeakPolarHBondContact O-CB 3.42Å; E1553-Q1557 PolarHBondContact O-N 2.77Å |
| 1554 | V | 91.2 | Very high | 90.2 | Very high | 80 Ų | 80 | 105.2 Ų | 105.2 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 176 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L1550 R1551 L1556 Q1557 A1558 | L1550-V1554 HydrophobicContact CD2-CG2 4.29Å; L1550-V1554 WeakPolarHBondContact O-CB 3.42Å; L1550-V1554 VanDerWaalsContact O-CG2 3.3Å; L1550-V1554 WeakPolarHBondContact O-CG2 3.49Å; L1550-V1554 PolarHBondContact O-N 3.38Å; R1551-V1554 PolarHBondContact O-N 2.62Å; V1554-L1556 VanDerWaalsContact C-N 3.33Å; V1554-L1556 PolarHBondContact O-N 2.75Å; V1554-Q1557 PolarHBondContact O-N 2.95Å; V1554-A1558 WeakPolarHBondContact O-CB 3.26Å; V1554-A1558 PolarHBondContact O-N 3.11Å |
| 1555 | N | 91.5 | Very high | 90.1 | Very high | 99 Ų | 99 | 109.2 Ų | 109.2 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 175.3 | -76.6 | -13.2 | 0 | 0 | 0 | 111.6 | R1551 L1552 Q1557 A1558 L1559 | R1551-N1555 VanDerWaalsContact O-CB 3.29Å; R1551-N1555 WeakPolarHBondContact O-CB 3.29Å; R1551-N1555 VanDerWaalsContact O-CG 3.22Å; R1551-N1555 PolarHBondContact O-N 2.5Å; R1551-N1555 PolarHBondContact O-ND2 2.68Å; L1552-N1555 PolarHBondContact O-N 3.34Å; N1555-Q1557 VanDerWaalsContact C-N 3.35Å; N1555-A1558 PolarHBondContact O-N 3.39Å; N1555-L1559 WeakPolarHBondContact O-CB 3.2Å; N1555-L1559 WeakPolarHBondContact O-CD1 3.23Å; N1555-L1559 WeakPolarHBondContact O-CG 3.39Å; N1555-L1559 PolarHBondContact O-N 2.96Å |
| 1556 | L | 89.1 | Confident | 90.1 | Very high | 93 Ų | 93 | 107.7 Ų | 107.7 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 178.3 | -164.7 | 151 | 0 | 0 | 0 | 111.6 | L1552 E1553 V1554 K1560 | L1552-L1556 VanDerWaalsContact O-CB 3.23Å; L1552-L1556 WeakPolarHBondContact O-CB 3.48Å; L1552-L1556 PolarHBondContact O-N 2.71Å; E1553-L1556 PolarHBondContact O-N 3.37Å; V1554-L1556 VanDerWaalsContact C-N 3.33Å; V1554-L1556 PolarHBondContact O-N 2.75Å; L1556-K1560 HydrophobicContact CD2-CD 3.78Å; L1556-K1560 HydrophobicContact CD2-CG 4.28Å; L1556-K1560 WeakPolarHBondContact O-CB 3.31Å; L1556-K1560 VanDerWaalsContact O-CG 3.3Å; L1556-K1560 WeakPolarHBondContact O-CG 3.39Å; L1556-K1560 PolarHBondContact O-N 3.34Å |
| 1557 | Q | 89.2 | Confident | 89.9 | Confident | 140 Ų | 140 | 105.2 Ų | 105.2 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.6 | -39.9 | 173.8 | -170.1 | 172.8 | 1.8 | 0 | 0 | 112 | E1553 V1554 N1555 K1560 A1561 | E1553-Q1557 WeakPolarHBondContact O-CB 3.42Å; E1553-Q1557 PolarHBondContact O-N 2.77Å; V1554-Q1557 PolarHBondContact O-N 2.95Å; N1555-Q1557 VanDerWaalsContact C-N 3.35Å; Q1557-K1560 PolarHBondContact O-N 2.71Å; Q1557-A1561 WeakPolarHBondContact O-CB 3.39Å; Q1557-A1561 PolarHBondContact O-N 3.32Å |
| 1558 | A | 90.4 | Very high | 89.6 | Confident | 55 Ų | 55 | 108.2 Ų | 108.2 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1554 N1555 K1560 A1561 E1562 | V1554-A1558 WeakPolarHBondContact O-CB 3.26Å; V1554-A1558 PolarHBondContact O-N 3.11Å; N1555-A1558 PolarHBondContact O-N 3.39Å; A1558-K1560 VanDerWaalsContact C-N 3.33Å; A1558-K1560 PolarHBondContact O-N 3.43Å; A1558-A1561 PolarHBondContact O-N 2.68Å; A1558-E1562 WeakPolarHBondContact O-CB 3.32Å; A1558-E1562 PolarHBondContact O-N 2.52Å |
| 1559 | L | 90.3 | Very high | 89.5 | Confident | 111 Ų | 111 | 109.8 Ų | 109.8 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.9 | -40 | 174.5 | -83.2 | 159.6 | 0 | 0 | 0 | 112.3 | N1555 F1563 | N1555-L1559 WeakPolarHBondContact O-CB 3.2Å; N1555-L1559 WeakPolarHBondContact O-CD1 3.23Å; N1555-L1559 WeakPolarHBondContact O-CG 3.39Å; N1555-L1559 PolarHBondContact O-N 2.96Å; L1559-F1563 VanDerWaalsContact O-CB 3.26Å; L1559-F1563 WeakPolarHBondContact O-CB 3.27Å; L1559-F1563 PolarHBondContact O-N 3.18Å |
| 1560 | K | 89.4 | Confident | 89.3 | Confident | 125 Ų | 125 | 110.3 Ų | 110.3 | 54% | 0.543 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.2 | -82.2 | 177.3 | 176.4 | 168.2 | 0 | 112.3 | L1556 Q1557 A1558 E1562 F1563 E1564 | L1556-K1560 HydrophobicContact CD2-CD 3.78Å; L1556-K1560 HydrophobicContact CD2-CG 4.28Å; L1556-K1560 WeakPolarHBondContact O-CB 3.31Å; L1556-K1560 VanDerWaalsContact O-CG 3.3Å; L1556-K1560 WeakPolarHBondContact O-CG 3.39Å; L1556-K1560 PolarHBondContact O-N 3.34Å; Q1557-K1560 PolarHBondContact O-N 2.71Å; A1558-K1560 VanDerWaalsContact C-N 3.33Å; A1558-K1560 PolarHBondContact O-N 3.43Å; K1560-E1562 VanDerWaalsContact C-N 3.33Å; K1560-F1563 PolarHBondContact O-N 2.86Å; K1560-E1564 WeakPolarHBondContact O-CB 3.35Å; K1560-E1564 WeakPolarHBondContact O-CG 3.36Å; K1560-E1564 PolarHBondContact O-N 2.6Å |
| 1561 | A | 89.4 | Confident | 89 | Confident | 55 Ų | 55 | 110.6 Ų | 110.6 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1557 A1558 R1565 | Q1557-A1561 WeakPolarHBondContact O-CB 3.39Å; Q1557-A1561 PolarHBondContact O-N 3.32Å; A1558-A1561 PolarHBondContact O-N 2.68Å; A1561-R1565 WeakPolarHBondContact O-CB 3.1Å; A1561-R1565 PolarHBondContact O-N 2.65Å |
| 1562 | E | 91.2 | Very high | 88.7 | Confident | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 172.7 | -171.7 | -177.1 | 172.4 | 0 | 0 | 111.4 | A1558 K1560 E1564 R1565 N1566 | A1558-E1562 WeakPolarHBondContact O-CB 3.32Å; A1558-E1562 PolarHBondContact O-N 2.52Å; K1560-E1562 VanDerWaalsContact C-N 3.33Å; E1562-E1564 PolarHBondContact O-N 3.16Å; E1562-R1565 PolarHBondContact O-N 3.19Å; E1562-N1566 WeakPolarHBondContact O-CB 3.38Å; E1562-N1566 VanDerWaalsContact O-CG 3.26Å; E1562-N1566 PolarHBondContact O-N 2.84Å; E1562-N1566 PolarHBondContact O-ND2 2.76Å |
| 1563 | F | 88.3 | Confident | 88.6 | Confident | 155 Ų | 155 | 103.4 Ų | 103.4 | 68% | 0.68 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 175.7 | -175.8 | -91.1 | 0 | 0 | 0 | 112.2 | L1559 K1560 N1566 A1567 | L1559-F1563 VanDerWaalsContact O-CB 3.26Å; L1559-F1563 WeakPolarHBondContact O-CB 3.27Å; L1559-F1563 PolarHBondContact O-N 3.18Å; K1560-F1563 PolarHBondContact O-N 2.86Å; F1563-N1566 PolarHBondContact O-N 2.58Å; F1563-A1567 VanDerWaalsContact O-CB 3.31Å; F1563-A1567 WeakPolarHBondContact O-CB 3.43Å; F1563-A1567 PolarHBondContact O-N 3.47Å |
| 1564 | E | 87.5 | Confident | 88.4 | Confident | 122 Ų | 122 | 102.1 Ų | 102.1 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 176.1 | -77.4 | 176.3 | -175.3 | 0 | 0 | 111.9 | K1560 E1562 A1567 Q1568 | K1560-E1564 WeakPolarHBondContact O-CB 3.35Å; K1560-E1564 WeakPolarHBondContact O-CG 3.36Å; K1560-E1564 PolarHBondContact O-N 2.6Å; E1562-E1564 PolarHBondContact O-N 3.16Å; E1564-A1567 PolarHBondContact O-N 3.27Å; E1564-Q1568 WeakPolarHBondContact O-CG 3.38Å; E1564-Q1568 PolarHBondContact O-N 2.73Å |
| 1565 | R | 88.4 | Confident | 88.1 | Confident | 180 Ų | 180 | 103.5 Ų | 103.5 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -44.6 | 174.6 | -179.5 | -178.9 | -94.1 | 160.9 | -7.8 | 111.3 | A1561 E1562 A1567 Q1568 L1569 | A1561-R1565 WeakPolarHBondContact O-CB 3.1Å; A1561-R1565 PolarHBondContact O-N 2.65Å; E1562-R1565 PolarHBondContact O-N 3.19Å; R1565-A1567 VanDerWaalsContact C-N 3.34Å; R1565-A1567 PolarHBondContact O-N 3.1Å; R1565-Q1568 PolarHBondContact O-N 2.55Å; R1565-L1569 HydrophobicContact CG-CD1 4.26Å; R1565-L1569 WeakPolarHBondContact O-CG 3.5Å; R1565-L1569 PolarHBondContact O-N 3.04Å |
| 1566 | N | 89.9 | Confident | 87.8 | Confident | 74 Ų | 74 | 104.2 Ų | 104.2 | 40% | 0.396 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 177.1 | -73.7 | -22.1 | 0 | 0 | 0 | 112.1 | E1562 F1563 K1570 | E1562-N1566 WeakPolarHBondContact O-CB 3.38Å; E1562-N1566 VanDerWaalsContact O-CG 3.26Å; E1562-N1566 PolarHBondContact O-N 2.84Å; E1562-N1566 PolarHBondContact O-ND2 2.76Å; F1563-N1566 PolarHBondContact O-N 2.58Å; N1566-K1570 WeakPolarHBondContact O-CB 3.49Å; N1566-K1570 WeakPolarHBondContact O-CG 3.43Å; N1566-K1570 PolarHBondContact O-N 2.88Å |
| 1567 | A | 84.9 | Confident | 87.6 | Confident | 36 Ų | 36 | 105.5 Ų | 105.5 | 30% | 0.298 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1563 E1564 R1565 K1570 D1571 | F1563-A1567 VanDerWaalsContact O-CB 3.31Å; F1563-A1567 WeakPolarHBondContact O-CB 3.43Å; F1563-A1567 PolarHBondContact O-N 3.47Å; E1564-A1567 PolarHBondContact O-N 3.27Å; R1565-A1567 VanDerWaalsContact C-N 3.34Å; R1565-A1567 PolarHBondContact O-N 3.1Å; A1567-K1570 PolarHBondContact O-N 2.82Å; A1567-D1571 WeakPolarHBondContact O-CB 3.37Å; A1567-D1571 PolarHBondContact O-N 3.41Å |
| 1568 | Q | 86.8 | Confident | 87.4 | Confident | 139 Ų | 139 | 107.2 Ų | 107.2 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 176.1 | -74.5 | 176.1 | -1.3 | 0 | 0 | 112.7 | E1564 R1565 D1571 G1572 | E1564-Q1568 WeakPolarHBondContact O-CG 3.38Å; E1564-Q1568 PolarHBondContact O-N 2.73Å; R1565-Q1568 PolarHBondContact O-N 2.55Å; Q1568-D1571 PolarHBondContact O-N 3.44Å; Q1568-G1572 PolarHBondContact O-N 2.59Å |
| 1569 | L | 87.2 | Confident | 87.1 | Confident | 103 Ų | 103 | 109 Ų | 109 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.3 | -72.2 | 170.9 | 0 | 0 | 0 | 111.1 | R1565 D1571 G1572 D1573 | R1565-L1569 HydrophobicContact CG-CD1 4.26Å; R1565-L1569 WeakPolarHBondContact O-CG 3.5Å; R1565-L1569 PolarHBondContact O-N 3.04Å; L1569-D1571 VanDerWaalsContact C-N 3.35Å; L1569-D1571 PolarHBondContact O-N 3.03Å; L1569-G1572 PolarHBondContact O-N 3.01Å; L1569-D1573 PolarHBondContact O-N 3.44Å |
| 1570 | K | 88.1 | Confident | 86.8 | Confident | 139 Ų | 139 | 109 Ų | 109 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 175.4 | -78.7 | -175.5 | 177.7 | -174.9 | 0 | 112.8 | N1566 A1567 D1573 N1574 | N1566-K1570 WeakPolarHBondContact O-CB 3.49Å; N1566-K1570 WeakPolarHBondContact O-CG 3.43Å; N1566-K1570 PolarHBondContact O-N 2.88Å; A1567-K1570 PolarHBondContact O-N 2.82Å; K1570-D1573 PolarHBondContact O-N 2.87Å; K1570-N1574 VanDerWaalsContact O-CB 3.22Å; K1570-N1574 WeakPolarHBondContact O-CB 3.44Å; K1570-N1574 PolarHBondContact O-N 3.24Å; K1570-N1574 PolarHBondContact O-ND2 2.84Å; K1570-N1574 VanDerWaalsContact O-ND2 3.13Å |
| 1571 | D | 85.7 | Confident | 86.7 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 57% | 0.572 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -39.5 | 176.8 | -75.8 | -15.9 | 0 | 0 | 0 | 111.3 | A1567 Q1568 L1569 N1574 E1575 | A1567-D1571 WeakPolarHBondContact O-CB 3.37Å; A1567-D1571 PolarHBondContact O-N 3.41Å; Q1568-D1571 PolarHBondContact O-N 3.44Å; L1569-D1571 VanDerWaalsContact C-N 3.35Å; L1569-D1571 PolarHBondContact O-N 3.03Å; D1571-N1574 PolarHBondContact O-N 2.63Å; D1571-E1575 WeakPolarHBondContact O-CB 3.47Å; D1571-E1575 PolarHBondContact O-N 3.2Å |
| 1572 | G | 85 | Confident | 86.3 | Confident | 39 Ų | 39 | 109.8 Ų | 109.8 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1568 L1569 N1574 E1575 E1576 | Q1568-G1572 PolarHBondContact O-N 2.59Å; L1569-G1572 PolarHBondContact O-N 3.01Å; G1572-N1574 VanDerWaalsContact C-N 3.32Å; G1572-N1574 PolarHBondContact O-N 2.61Å; G1572-E1575 PolarHBondContact O-N 2.58Å; G1572-E1576 PolarHBondContact O-N 2.66Å |
| 1573 | D | 87.1 | Confident | 86 | Confident | 88 Ų | 88 | 108.9 Ų | 108.9 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 176.3 | -72.1 | -6.4 | 0 | 0 | 0 | 111.8 | L1569 K1570 E1576 K1577 | L1569-D1573 PolarHBondContact O-N 3.44Å; K1570-D1573 PolarHBondContact O-N 2.87Å; D1573-E1576 PolarHBondContact O-N 3.33Å; D1573-K1577 WeakPolarHBondContact O-CB 3.41Å; D1573-K1577 VanDerWaalsContact O-CG 3.28Å; D1573-K1577 WeakPolarHBondContact O-CG 3.48Å; D1573-K1577 PolarHBondContact O-N 3.29Å |
| 1574 | N | 86.6 | Confident | 85.8 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 177.4 | -74.9 | -25.3 | 0 | 0 | 0 | 111.8 | K1570 D1571 G1572 R1578 | K1570-N1574 VanDerWaalsContact O-CB 3.22Å; K1570-N1574 WeakPolarHBondContact O-CB 3.44Å; K1570-N1574 PolarHBondContact O-N 3.24Å; K1570-N1574 PolarHBondContact O-ND2 2.84Å; K1570-N1574 VanDerWaalsContact O-ND2 3.13Å; D1571-N1574 PolarHBondContact O-N 2.63Å; G1572-N1574 VanDerWaalsContact C-N 3.32Å; G1572-N1574 PolarHBondContact O-N 2.61Å; N1574-R1578 VanDerWaalsContact O-CB 3.25Å; N1574-R1578 WeakPolarHBondContact O-CB 3.39Å; N1574-R1578 PolarHBondContact O-N 2.87Å |
| 1575 | E | 84.4 | Confident | 85.5 | Confident | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 175 | -164.1 | -175.8 | 150.5 | 0 | 0 | 111.4 | D1571 G1572 R1578 K1579 | D1571-E1575 WeakPolarHBondContact O-CB 3.47Å; D1571-E1575 PolarHBondContact O-N 3.2Å; G1572-E1575 PolarHBondContact O-N 2.58Å; E1575-R1578 PolarHBondContact O-N 2.88Å; E1575-K1579 WeakPolarHBondContact O-CG 3.46Å; E1575-K1579 PolarHBondContact O-N 3.42Å; E1575-K1579 VanDerWaalsContact OE1-CE 3.29Å; E1575-K1579 WeakPolarHBondContact OE1-CE 3.32Å; E1575-K1579 IonicContact OE1-NZ 2.96Å; E1575-K1579 PolarHBondContact OE1-NZ 2.92Å |
| 1576 | E | 84.4 | Confident | 85.1 | Confident | 114 Ų | 114 | 105.9 Ų | 105.9 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 174.4 | -168.1 | 176 | 173.4 | 0 | 0 | 111.6 | G1572 D1573 R1578 K1579 Q1580 | G1572-E1576 PolarHBondContact O-N 2.66Å; D1573-E1576 PolarHBondContact O-N 3.33Å; E1576-R1578 VanDerWaalsContact C-N 3.29Å; E1576-R1578 PolarHBondContact O-N 3.27Å; E1576-K1579 PolarHBondContact O-N 2.9Å; E1576-K1579 VanDerWaalsContact O-N 3.15Å; E1576-Q1580 WeakPolarHBondContact O-CG 3.41Å; E1576-Q1580 PolarHBondContact O-N 2.9Å |
| 1577 | K | 85.3 | Confident | 84.7 | Confident | 120 Ų | 120 | 106.6 Ų | 106.6 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 172.5 | -75.9 | 175.2 | -176.3 | 176.3 | 0 | 111.9 | D1573 Q1580 L1581 | D1573-K1577 WeakPolarHBondContact O-CB 3.41Å; D1573-K1577 VanDerWaalsContact O-CG 3.28Å; D1573-K1577 WeakPolarHBondContact O-CG 3.48Å; D1573-K1577 PolarHBondContact O-N 3.29Å; K1577-Q1580 PolarHBondContact O-N 3.21Å; K1577-L1581 WeakPolarHBondContact O-CB 3.43Å; K1577-L1581 VanDerWaalsContact O-CG 3.31Å; K1577-L1581 WeakPolarHBondContact O-CG 3.29Å; K1577-L1581 PolarHBondContact O-N 2.73Å |
| 1578 | R | 85 | Confident | 84.5 | Confident | 175 Ų | 175 | 109.3 Ų | 109.3 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -39.9 | 176.7 | -173.1 | 178.8 | 178.8 | -166 | -1.5 | 111.7 | N1574 E1575 E1576 N1582 | N1574-R1578 VanDerWaalsContact O-CB 3.25Å; N1574-R1578 WeakPolarHBondContact O-CB 3.39Å; N1574-R1578 PolarHBondContact O-N 2.87Å; E1575-R1578 PolarHBondContact O-N 2.88Å; E1576-R1578 VanDerWaalsContact C-N 3.29Å; E1576-R1578 PolarHBondContact O-N 3.27Å; R1578-N1582 WeakPolarHBondContact O-CB 3.48Å; R1578-N1582 PolarHBondContact O-N 3Å |
| 1579 | K | 84.1 | Confident | 84.2 | Confident | 92 Ų | 92 | 108.5 Ų | 108.5 | 40% | 0.4 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 173.9 | -74.9 | 171.7 | -175.2 | 158.1 | 0 | 111.6 | E1575 E1576 N1582 N1583 | E1575-K1579 WeakPolarHBondContact O-CG 3.46Å; E1575-K1579 PolarHBondContact O-N 3.42Å; E1575-K1579 VanDerWaalsContact OE1-CE 3.29Å; E1575-K1579 WeakPolarHBondContact OE1-CE 3.32Å; E1575-K1579 IonicContact OE1-NZ 2.96Å; E1575-K1579 PolarHBondContact OE1-NZ 2.92Å; E1576-K1579 PolarHBondContact O-N 2.9Å; E1576-K1579 VanDerWaalsContact O-N 3.15Å; K1579-N1582 PolarHBondContact O-N 3.26Å; K1579-N1583 WeakPolarHBondContact O-CB 3.25Å; K1579-N1583 VanDerWaalsContact O-CG 3.27Å; K1579-N1583 PolarHBondContact O-N 2.85Å; K1579-N1583 PolarHBondContact O-OD1 2.73Å |
| 1580 | Q | 85.3 | Confident | 83.8 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.6 | -70.7 | 176.1 | 5.9 | 0 | 0 | 112 | E1576 K1577 N1583 R1584 | E1576-Q1580 WeakPolarHBondContact O-CG 3.41Å; E1576-Q1580 PolarHBondContact O-N 2.9Å; K1577-Q1580 PolarHBondContact O-N 3.21Å; Q1580-N1583 PolarHBondContact O-N 2.76Å; Q1580-R1584 WeakPolarHBondContact O-CB 3.5Å; Q1580-R1584 PolarHBondContact O-N 3.36Å |
| 1581 | L | 85.6 | Confident | 83.6 | Confident | 110 Ų | 110 | 106.4 Ų | 106.4 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 174.9 | -74.3 | 171.8 | 0 | 0 | 0 | 111.9 | K1577 R1584 I1585 | K1577-L1581 WeakPolarHBondContact O-CB 3.43Å; K1577-L1581 VanDerWaalsContact O-CG 3.31Å; K1577-L1581 WeakPolarHBondContact O-CG 3.29Å; K1577-L1581 PolarHBondContact O-N 2.73Å; L1581-R1584 PolarHBondContact O-N 2.82Å; L1581-I1585 WeakPolarHBondContact O-CB 3.2Å; L1581-I1585 VanDerWaalsContact O-CG1 3.24Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.28Å; L1581-I1585 PolarHBondContact O-N 3.37Å |
| 1582 | N | 82.5 | Confident | 83.2 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.2 | -80.4 | -14.8 | 0 | 0 | 0 | 112.4 | R1578 K1579 I1585 R1586 | R1578-N1582 WeakPolarHBondContact O-CB 3.48Å; R1578-N1582 PolarHBondContact O-N 3Å; K1579-N1582 PolarHBondContact O-N 3.26Å; N1582-I1585 PolarHBondContact O-N 3.46Å; N1582-R1586 WeakPolarHBondContact O-CB 3.46Å; N1582-R1586 PolarHBondContact O-N 2.64Å |
| 1583 | N | 83.3 | Confident | 82.8 | Confident | 96 Ų | 96 | 109 Ų | 109 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 174.7 | -72.1 | -3.6 | 0 | 0 | 0 | 110.4 | K1579 Q1580 I1585 R1586 D1587 | K1579-N1583 WeakPolarHBondContact O-CB 3.25Å; K1579-N1583 VanDerWaalsContact O-CG 3.27Å; K1579-N1583 PolarHBondContact O-N 2.85Å; K1579-N1583 PolarHBondContact O-OD1 2.73Å; Q1580-N1583 PolarHBondContact O-N 2.76Å; N1583-I1585 VanDerWaalsContact C-N 3.32Å; N1583-I1585 PolarHBondContact O-N 2.78Å; N1583-R1586 WeakPolarHBondContact O-CB 3.46Å; N1583-R1586 PolarHBondContact O-N 3.35Å; N1583-R1586 VanDerWaalsContact O-N 3.07Å; N1583-D1587 PolarHBondContact O-N 2.78Å |
| 1584 | R | 84 | Confident | 82.3 | Confident | 171 Ų | 171 | 108.6 Ų | 108.6 | 65% | 0.645 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -36.6 | 176.7 | -170.6 | 172.1 | -175.5 | 171.2 | 0.9 | 113 | Q1580 L1581 L1588 | Q1580-R1584 WeakPolarHBondContact O-CB 3.5Å; Q1580-R1584 PolarHBondContact O-N 3.36Å; L1581-R1584 PolarHBondContact O-N 2.82Å; R1584-L1588 HydrophobicContact CG-CD1 4.21Å; R1584-L1588 WeakPolarHBondContact O-CB 3.38Å; R1584-L1588 VanDerWaalsContact O-CG 3.23Å; R1584-L1588 WeakPolarHBondContact O-CG 3.21Å; R1584-L1588 PolarHBondContact O-N 3.42Å |
| 1585 | I | 81.3 | Confident | 81.8 | Confident | 86 Ų | 86 | 110 Ų | 110 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 172.7 | -72.1 | 165.5 | 0 | 0 | 0 | 110.1 | L1581 N1582 N1583 D1587 L1588 E1589 | L1581-I1585 WeakPolarHBondContact O-CB 3.2Å; L1581-I1585 VanDerWaalsContact O-CG1 3.24Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.28Å; L1581-I1585 PolarHBondContact O-N 3.37Å; N1582-I1585 PolarHBondContact O-N 3.46Å; N1583-I1585 VanDerWaalsContact C-N 3.32Å; N1583-I1585 PolarHBondContact O-N 2.78Å; I1585-D1587 PolarHBondContact O-N 2.78Å; I1585-L1588 PolarHBondContact O-N 3.4Å; I1585-E1589 HydrophobicContact CG2-CG 4.19Å; I1585-E1589 WeakPolarHBondContact O-CB 3.41Å; I1585-E1589 VanDerWaalsContact O-CG 3.27Å; I1585-E1589 WeakPolarHBondContact O-CG 3.42Å; I1585-E1589 PolarHBondContact O-N 3.14Å |
| 1586 | R | 80 | Confident | 81.4 | Confident | 137 Ų | 137 | 110.3 Ų | 110.3 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 178.2 | -168.5 | 180 | -176.1 | 173.6 | 0.4 | 112 | N1582 N1583 E1589 E1590 | N1582-R1586 WeakPolarHBondContact O-CB 3.46Å; N1582-R1586 PolarHBondContact O-N 2.64Å; N1583-R1586 WeakPolarHBondContact O-CB 3.46Å; N1583-R1586 PolarHBondContact O-N 3.35Å; N1583-R1586 VanDerWaalsContact O-N 3.07Å; R1586-E1589 PolarHBondContact O-N 3.25Å; R1586-E1590 WeakPolarHBondContact O-CB 3.31Å; R1586-E1590 PolarHBondContact O-N 2.88Å |
| 1587 | D | 82.1 | Confident | 81 | Confident | 89 Ų | 89 | 108.3 Ų | 108.3 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 176.4 | -61.3 | -21.3 | 0 | 0 | 0 | 110.6 | N1583 I1585 E1589 E1590 E1591 | N1583-D1587 PolarHBondContact O-N 2.78Å; I1585-D1587 PolarHBondContact O-N 2.78Å; D1587-E1589 PolarHBondContact O-N 2.77Å; D1587-E1590 PolarHBondContact O-N 2.73Å; D1587-E1591 WeakPolarHBondContact O-CG 3.19Å; D1587-E1591 PolarHBondContact O-N 2.81Å |
| 1588 | L | 81.7 | Confident | 80.4 | Confident | 93 Ų | 93 | 109 Ų | 109 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -34.3 | 175.7 | -71.9 | 171.3 | 0 | 0 | 0 | 113 | R1584 I1585 L1592 | R1584-L1588 HydrophobicContact CG-CD1 4.21Å; R1584-L1588 WeakPolarHBondContact O-CB 3.38Å; R1584-L1588 VanDerWaalsContact O-CG 3.23Å; R1584-L1588 WeakPolarHBondContact O-CG 3.21Å; R1584-L1588 PolarHBondContact O-N 3.42Å; I1585-L1588 PolarHBondContact O-N 3.4Å; L1588-L1592 WeakPolarHBondContact O-CB 3.35Å; L1588-L1592 PolarHBondContact O-N 3.44Å |
| 1589 | E | 80.4 | Confident | 79.8 | Confident | 122 Ų | 122 | 106.9 Ų | 106.9 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 173.7 | -78.6 | 179 | 162.3 | 0 | 0 | 111.1 | I1585 R1586 D1587 L1592 E1593 | I1585-E1589 HydrophobicContact CG2-CG 4.19Å; I1585-E1589 WeakPolarHBondContact O-CB 3.41Å; I1585-E1589 VanDerWaalsContact O-CG 3.27Å; I1585-E1589 WeakPolarHBondContact O-CG 3.42Å; I1585-E1589 PolarHBondContact O-N 3.14Å; R1586-E1589 PolarHBondContact O-N 3.25Å; D1587-E1589 PolarHBondContact O-N 2.77Å; E1589-L1592 PolarHBondContact O-N 3.5Å; E1589-E1593 VanDerWaalsContact O-CB 3.32Å; E1589-E1593 WeakPolarHBondContact O-CB 3.34Å; E1589-E1593 PolarHBondContact O-N 2.87Å |
| 1590 | E | 78.3 | Confident | 79.3 | Confident | 76 Ų | 76 | 107 Ų | 107 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 175.5 | -175.3 | 161.3 | -177.4 | 0 | 0 | 111.4 | K884 R1586 D1587 E1593 N1594 | K884-E1590 VanDerWaalsContact NZ-CD 3.28Å; K884-E1590 IonicContact NZ-OE1 3.19Å; K884-E1590 PolarHBondContact NZ-OE1 3.06Å; K884-E1590 IonicContact NZ-OE2 3.66Å; K884-E1590 PolarHBondContact NZ-OE2 3.07Å; K884-E1590 VanDerWaalsContact NZ-OE2 3.07Å; R1586-E1590 WeakPolarHBondContact O-CB 3.31Å; R1586-E1590 PolarHBondContact O-N 2.88Å; D1587-E1590 PolarHBondContact O-N 2.73Å; E1590-E1593 PolarHBondContact O-N 3.27Å; E1590-N1594 VanDerWaalsContact O-CB 3.29Å; E1590-N1594 WeakPolarHBondContact O-CB 3.39Å; E1590-N1594 PolarHBondContact O-N 3.49Å; E1590-N1594 PolarHBondContact O-ND2 3.11Å |
| 1591 | E | 82.9 | Confident | 78.7 | Confident | 121 Ų | 121 | 105.7 Ų | 105.7 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.5 | -46.3 | 172.5 | -75.2 | 174.7 | -167.4 | 0 | 0 | 111.9 | D1587 N1594 E1595 | D1587-E1591 WeakPolarHBondContact O-CG 3.19Å; D1587-E1591 PolarHBondContact O-N 2.81Å; E1591-N1594 PolarHBondContact O-N 2.85Å; E1591-E1595 WeakPolarHBondContact O-CB 3.5Å; E1591-E1595 PolarHBondContact O-N 3.04Å |
| 1592 | L | 77.6 | Confident | 78 | Confident | 68 Ų | 68 | 103.1 Ų | 103.1 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 179 | -177.5 | 68.2 | 0 | 0 | 0 | 112.3 | L1588 E1589 R1596 | L1588-L1592 WeakPolarHBondContact O-CB 3.35Å; L1588-L1592 PolarHBondContact O-N 3.44Å; E1589-L1592 PolarHBondContact O-N 3.5Å; L1592-R1596 HydrophobicContact CD1-CG 4.46Å; L1592-R1596 VanDerWaalsContact O-CB 3.26Å; L1592-R1596 WeakPolarHBondContact O-CB 2.67Å; L1592-R1596 VanDerWaalsContact O-CG 3.25Å; L1592-R1596 WeakPolarHBondContact O-CG 3.33Å; L1592-R1596 PolarHBondContact O-N 3.34Å |
| 1593 | E | 77.1 | Confident | 77.5 | Confident | 133 Ų | 133 | 102.2 Ų | 102.2 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | 176.2 | -171.2 | 164.2 | -159.2 | 0 | 0 | 111 | E1589 E1590 R1596 T1597 | E1589-E1593 VanDerWaalsContact O-CB 3.32Å; E1589-E1593 WeakPolarHBondContact O-CB 3.34Å; E1589-E1593 PolarHBondContact O-N 2.87Å; E1590-E1593 PolarHBondContact O-N 3.27Å; E1593-R1596 PolarHBondContact O-N 3.25Å; E1593-T1597 HydrophobicContact CG-CG2 4.46Å; E1593-T1597 WeakPolarHBondContact O-CB 3.49Å; E1593-T1597 VanDerWaalsContact O-CG2 3.24Å; E1593-T1597 WeakPolarHBondContact O-CG2 3.47Å; E1593-T1597 PolarHBondContact O-N 3.07Å; E1593-T1597 PolarHBondContact O-OG1 3.17Å |
| 1594 | N | 77.5 | Confident | 76.9 | Confident | 80 Ų | 80 | 102 Ų | 102 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 173.5 | -72.1 | -20.7 | 0 | 0 | 0 | 111.7 | E1590 E1591 T1597 H1598 | E1590-N1594 VanDerWaalsContact O-CB 3.29Å; E1590-N1594 WeakPolarHBondContact O-CB 3.39Å; E1590-N1594 PolarHBondContact O-N 3.49Å; E1590-N1594 PolarHBondContact O-ND2 3.11Å; E1591-N1594 PolarHBondContact O-N 2.85Å; N1594-T1597 WeakPolarHBondContact CA-OG1 3.38Å; N1594-T1597 PolarHBondContact O-N 2.97Å; N1594-T1597 PolarHBondContact O-OG1 3.4Å; N1594-H1598 VanDerWaalsContact O-CB 3.31Å; N1594-H1598 WeakPolarHBondContact O-CB 3.41Å; N1594-H1598 PolarHBondContact O-N 3.06Å; N1594-H1598 PolarHBondContact O-ND1 2.63Å |
| 1595 | E | 75.2 | Confident | 76.2 | Confident | 118 Ų | 118 | 96.7 Ų | 96.7 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 177.2 | -165.8 | -170.4 | 162.2 | 0 | 0 | 111.3 | E1591 K1599 | E1591-E1595 WeakPolarHBondContact O-CB 3.5Å; E1591-E1595 PolarHBondContact O-N 3.04Å; E1595-K1599 WeakPolarHBondContact O-CB 3.28Å; E1595-K1599 PolarHBondContact O-N 3.37Å |
| 1596 | R | 75.6 | Confident | 75.8 | Confident | 118 Ų | 118 | 98.8 Ų | 98.8 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.3 | -80 | 179.3 | 176.9 | -177.6 | 2.9 | 112.1 | L1592 E1593 N1600 | L1592-R1596 HydrophobicContact CD1-CG 4.46Å; L1592-R1596 VanDerWaalsContact O-CB 3.26Å; L1592-R1596 WeakPolarHBondContact O-CB 2.67Å; L1592-R1596 VanDerWaalsContact O-CG 3.25Å; L1592-R1596 WeakPolarHBondContact O-CG 3.33Å; L1592-R1596 PolarHBondContact O-N 3.34Å; E1593-R1596 PolarHBondContact O-N 3.25Å; R1596-N1600 WeakPolarHBondContact O-CB 3.26Å; R1596-N1600 PolarHBondContact O-N 2.89Å; R1596-N1600 PolarHBondContact O-ND2 3.22Å |
| 1597 | T | 75.7 | Confident | 75.4 | Confident | 71 Ų | 71 | 100.3 Ų | 100.3 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 179.3 | 50.5 | 0 | 0 | 0 | 0 | 111 | E1593 N1594 S1601 | E1593-T1597 HydrophobicContact CG-CG2 4.46Å; E1593-T1597 WeakPolarHBondContact O-CB 3.49Å; E1593-T1597 VanDerWaalsContact O-CG2 3.24Å; E1593-T1597 WeakPolarHBondContact O-CG2 3.47Å; E1593-T1597 PolarHBondContact O-N 3.07Å; E1593-T1597 PolarHBondContact O-OG1 3.17Å; N1594-T1597 WeakPolarHBondContact CA-OG1 3.38Å; N1594-T1597 PolarHBondContact O-N 2.97Å; N1594-T1597 PolarHBondContact O-OG1 3.4Å; T1597-S1601 WeakPolarHBondContact O-CB 3.41Å; T1597-S1601 PolarHBondContact O-N 3.31Å |
| 1598 | H | 74.1 | Confident | 74.9 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 63% | 0.625 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -47.8 | 176.2 | -78.1 | 68.8 | 0 | 0 | 0 | 111.8 | N1594 S1601 A1602 | N1594-H1598 VanDerWaalsContact O-CB 3.31Å; N1594-H1598 WeakPolarHBondContact O-CB 3.41Å; N1594-H1598 PolarHBondContact O-N 3.06Å; N1594-H1598 PolarHBondContact O-ND1 2.63Å; H1598-S1601 PolarHBondContact O-N 2.77Å; H1598-A1602 WeakPolarHBondContact O-CB 3.48Å; H1598-A1602 PolarHBondContact O-N 3.22Å |
| 1599 | K | 72.1 | Confident | 74.6 | Confident | 130 Ų | 130 | 100.3 Ų | 100.3 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 178.3 | -175.4 | 176.5 | -178.7 | 172.8 | 0 | 111.9 | E1595 V1603 | E1595-K1599 WeakPolarHBondContact O-CB 3.28Å; E1595-K1599 PolarHBondContact O-N 3.37Å; K1599-V1603 HydrophobicContact CG-CG2 4.19Å; K1599-V1603 WeakPolarHBondContact O-CB 3.38Å; K1599-V1603 WeakPolarHBondContact O-CG2 3.48Å; K1599-V1603 PolarHBondContact O-N 2.81Å |
| 1600 | N | 73.1 | Confident | 74.4 | Confident | 96 Ų | 96 | 98 Ų | 98 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 178.8 | -76 | -24 | 0 | 0 | 0 | 111.7 | R1596 N1604 | R1596-N1600 WeakPolarHBondContact O-CB 3.26Å; R1596-N1600 PolarHBondContact O-N 2.89Å; R1596-N1600 PolarHBondContact O-ND2 3.22Å; N1600-N1604 WeakPolarHBondContact O-CB 3.24Å; N1600-N1604 PolarHBondContact O-N 2.81Å; N1600-N1604 PolarHBondContact O-ND2 2.82Å; N1600-N1604 VanDerWaalsContact O-ND2 3.15Å |
| 1601 | S | 73.1 | Confident | 74.3 | Confident | 82 Ų | 82 | 98.6 Ų | 98.6 | 57% | 0.573 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -48.6 | 177.3 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | T1597 H1598 S1605 | T1597-S1601 WeakPolarHBondContact O-CB 3.41Å; T1597-S1601 PolarHBondContact O-N 3.31Å; H1598-S1601 PolarHBondContact O-N 2.77Å; S1601-S1605 VanDerWaalsContact O-CB 3.3Å; S1601-S1605 WeakPolarHBondContact O-CB 3.46Å; S1601-S1605 PolarHBondContact O-N 3.26Å; S1601-S1605 PolarHBondContact O-OG 2.89Å |
| 1602 | A | 71.6 | Confident | 73.9 | Confident | 56 Ų | 56 | 95.2 Ų | 95.2 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1598 S1605 K1606 | H1598-A1602 WeakPolarHBondContact O-CB 3.48Å; H1598-A1602 PolarHBondContact O-N 3.22Å; A1602-S1605 PolarHBondContact O-OG 3.2Å; A1602-K1606 WeakPolarHBondContact O-CB 3.09Å; A1602-K1606 PolarHBondContact O-N 3.03Å |
| 1603 | V | 70.1 | Confident | 73.9 | Confident | 68 Ų | 68 | 96.4 Ų | 96.4 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 180 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | K1599 R1607 | K1599-V1603 HydrophobicContact CG-CG2 4.19Å; K1599-V1603 WeakPolarHBondContact O-CB 3.38Å; K1599-V1603 WeakPolarHBondContact O-CG2 3.48Å; K1599-V1603 PolarHBondContact O-N 2.81Å; V1603-R1607 WeakPolarHBondContact O-CA 3.47Å; V1603-R1607 WeakPolarHBondContact O-CB 3.48Å; V1603-R1607 PolarHBondContact O-N 3.43Å |
| 1604 | N | 71.3 | Confident | 74.1 | Confident | 93 Ų | 93 | 97 Ų | 97 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.9 | -42.3 | -177.9 | -73.2 | -27.5 | 0 | 0 | 0 | 112.4 | N1600 N1608 | N1600-N1604 WeakPolarHBondContact O-CB 3.24Å; N1600-N1604 PolarHBondContact O-N 2.81Å; N1600-N1604 PolarHBondContact O-ND2 2.82Å; N1600-N1604 VanDerWaalsContact O-ND2 3.15Å; N1604-N1608 WeakPolarHBondContact O-CB 3.38Å; N1604-N1608 VanDerWaalsContact O-CG 3.29Å; N1604-N1608 PolarHBondContact O-N 2.88Å; N1604-N1608 PolarHBondContact O-ND2 3.18Å; N1604-N1608 VanDerWaalsContact O-ND2 3.08Å |
| 1605 | S | 69.2 | Low | 74.1 | Confident | 59 Ų | 59 | 96.2 Ų | 96.2 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -54.2 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | S1601 A1602 L1609 | S1601-S1605 VanDerWaalsContact O-CB 3.3Å; S1601-S1605 WeakPolarHBondContact O-CB 3.46Å; S1601-S1605 PolarHBondContact O-N 3.26Å; S1601-S1605 PolarHBondContact O-OG 2.89Å; A1602-S1605 PolarHBondContact O-OG 3.2Å; S1605-L1609 WeakPolarHBondContact O-CB 2.91Å; S1605-L1609 WeakPolarHBondContact O-CD1 3.49Å; S1605-L1609 VanDerWaalsContact O-CG 3.22Å; S1605-L1609 WeakPolarHBondContact O-CG 3.46Å; S1605-L1609 PolarHBondContact O-N 3.27Å |
| 1606 | K | 72.5 | Confident | 74.3 | Confident | 129 Ų | 129 | 95.5 Ų | 95.5 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.3 | -52.8 | -177.6 | -172.9 | 179.1 | 178.7 | 179.2 | 0 | 112.2 | A1602 E1610 | A1602-K1606 WeakPolarHBondContact O-CB 3.09Å; A1602-K1606 PolarHBondContact O-N 3.03Å; K1606-E1610 WeakPolarHBondContact CE-OE1 3.5Å; K1606-E1610 HydrophobicContact CG-CG 4.2Å; K1606-E1610 VanDerWaalsContact CG-OE1 3.23Å; K1606-E1610 WeakPolarHBondContact CG-OE1 3.44Å; K1606-E1610 WeakPolarHBondContact O-CB 3.46Å; K1606-E1610 VanDerWaalsContact O-CG 3.25Å; K1606-E1610 WeakPolarHBondContact O-CG 3.33Å; K1606-E1610 PolarHBondContact O-N 3.38Å |
| 1607 | R | 72.2 | Confident | 74.7 | Confident | 169 Ų | 169 | 95.1 Ų | 95.1 | 64% | 0.638 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | -174.3 | -168.9 | 178.8 | 176.7 | 169.1 | 0.8 | 111.9 | V1603 Q1611 | V1603-R1607 WeakPolarHBondContact O-CA 3.47Å; V1603-R1607 WeakPolarHBondContact O-CB 3.48Å; V1603-R1607 PolarHBondContact O-N 3.43Å; R1607-Q1611 WeakPolarHBondContact O-CB 3.34Å; R1607-Q1611 PolarHBondContact O-N 3.34Å |
| 1608 | N | 71.8 | Confident | 74.9 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 43% | 0.428 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | -179.9 | -69.4 | -32.3 | 0 | 0 | 0 | 111.7 | N1604 Q1612 | N1604-N1608 WeakPolarHBondContact O-CB 3.38Å; N1604-N1608 VanDerWaalsContact O-CG 3.29Å; N1604-N1608 PolarHBondContact O-N 2.88Å; N1604-N1608 PolarHBondContact O-ND2 3.18Å; N1604-N1608 VanDerWaalsContact O-ND2 3.08Å; N1608-Q1612 VanDerWaalsContact O-CB 3.24Å; N1608-Q1612 WeakPolarHBondContact O-CB 3.37Å; N1608-Q1612 WeakPolarHBondContact O-CG 3.32Å; N1608-Q1612 PolarHBondContact O-N 3.31Å |
| 1609 | L | 74.5 | Confident | 75.2 | Confident | 103 Ų | 103 | 97.4 Ų | 97.4 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.2 | -47.1 | 178.7 | -67.7 | 172 | 0 | 0 | 0 | 111.2 | S1605 Q1611 Q1612 I1613 | S1605-L1609 WeakPolarHBondContact O-CB 2.91Å; S1605-L1609 WeakPolarHBondContact O-CD1 3.49Å; S1605-L1609 VanDerWaalsContact O-CG 3.22Å; S1605-L1609 WeakPolarHBondContact O-CG 3.46Å; S1605-L1609 PolarHBondContact O-N 3.27Å; L1609-Q1611 PolarHBondContact O-N 3.21Å; L1609-Q1612 PolarHBondContact O-N 3.41Å; L1609-I1613 WeakPolarHBondContact O-CB 3.49Å; L1609-I1613 VanDerWaalsContact O-CG1 3.25Å; L1609-I1613 WeakPolarHBondContact O-CG1 3.42Å; L1609-I1613 PolarHBondContact O-N 3.26Å |
| 1610 | E | 77.4 | Confident | 75.7 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 35% | 0.346 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 176.8 | -73.7 | -177.9 | -174.9 | 0 | 0 | 112.4 | K1606 R1614 | K1606-E1610 WeakPolarHBondContact CE-OE1 3.5Å; K1606-E1610 HydrophobicContact CG-CG 4.2Å; K1606-E1610 VanDerWaalsContact CG-OE1 3.23Å; K1606-E1610 WeakPolarHBondContact CG-OE1 3.44Å; K1606-E1610 WeakPolarHBondContact O-CB 3.46Å; K1606-E1610 VanDerWaalsContact O-CG 3.25Å; K1606-E1610 WeakPolarHBondContact O-CG 3.33Å; K1606-E1610 PolarHBondContact O-N 3.38Å; E1610-R1614 WeakPolarHBondContact O-CB 3.36Å; E1610-R1614 VanDerWaalsContact O-CG 3.31Å; E1610-R1614 WeakPolarHBondContact O-CG 3.47Å; E1610-R1614 PolarHBondContact O-N 3.49Å; E1610-R1614 IonicContact OE2-NH2 2.75Å; E1610-R1614 PolarHBondContact OE2-NH2 2.9Å |
| 1611 | Q | 74.8 | Confident | 76.2 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 41% | 0.407 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 176.5 | -177.5 | 177.7 | -15.5 | 0 | 0 | 111.1 | R1607 L1609 R1614 E1615 | R1607-Q1611 WeakPolarHBondContact O-CB 3.34Å; R1607-Q1611 PolarHBondContact O-N 3.34Å; L1609-Q1611 PolarHBondContact O-N 3.21Å; Q1611-R1614 PolarHBondContact O-N 3.49Å; Q1611-E1615 HydrophobicContact CG-CG 4.46Å; Q1611-E1615 WeakPolarHBondContact CG-OE1 3.21Å; Q1611-E1615 PolarHBondContact NE2-OE1 2.93Å; Q1611-E1615 WeakPolarHBondContact O-CB 3.45Å; Q1611-E1615 VanDerWaalsContact O-CG 3.32Å; Q1611-E1615 WeakPolarHBondContact O-CG 3.19Å; Q1611-E1615 PolarHBondContact O-N 3.15Å |
| 1612 | Q | 74.8 | Confident | 76.6 | Confident | 51 Ų | 51 | 94.2 Ų | 94.2 | 24% | 0.238 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.6 | -75.8 | 172.9 | 31.4 | 0 | 0 | 112 | N1608 L1609 E1615 L1616 | N1608-Q1612 VanDerWaalsContact O-CB 3.24Å; N1608-Q1612 WeakPolarHBondContact O-CB 3.37Å; N1608-Q1612 WeakPolarHBondContact O-CG 3.32Å; N1608-Q1612 PolarHBondContact O-N 3.31Å; L1609-Q1612 PolarHBondContact O-N 3.41Å; Q1612-E1615 PolarHBondContact O-N 3.35Å; Q1612-L1616 WeakPolarHBondContact O-CB 3.3Å; Q1612-L1616 VanDerWaalsContact O-CG 3.3Å; Q1612-L1616 WeakPolarHBondContact O-CG 3.39Å; Q1612-L1616 PolarHBondContact O-N 2.98Å |
| 1613 | I | 78.9 | Confident | 77.1 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 174.8 | -70.2 | 167.2 | 0 | 0 | 0 | 109.6 | L1609 E1615 L1616 E1617 | L1609-I1613 WeakPolarHBondContact O-CB 3.49Å; L1609-I1613 VanDerWaalsContact O-CG1 3.25Å; L1609-I1613 WeakPolarHBondContact O-CG1 3.42Å; L1609-I1613 PolarHBondContact O-N 3.26Å; I1613-E1615 PolarHBondContact O-N 3.29Å; I1613-L1616 PolarHBondContact O-N 2.9Å; I1613-E1617 HydrophobicContact CG2-CG 4.18Å; I1613-E1617 WeakPolarHBondContact O-CB 3.46Å; I1613-E1617 VanDerWaalsContact O-CG 3.3Å; I1613-E1617 WeakPolarHBondContact O-CG 3.46Å; I1613-E1617 PolarHBondContact O-N 3.22Å |
| 1614 | R | 80.1 | Confident | 77.7 | Confident | 145 Ų | 145 | 95.5 Ų | 95.5 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 177.2 | -75.6 | -176.6 | -124.6 | 170.8 | -0.9 | 113.1 | E1610 Q1611 M1618 | E1610-R1614 WeakPolarHBondContact O-CB 3.36Å; E1610-R1614 VanDerWaalsContact O-CG 3.31Å; E1610-R1614 WeakPolarHBondContact O-CG 3.47Å; E1610-R1614 PolarHBondContact O-N 3.49Å; E1610-R1614 IonicContact OE2-NH2 2.75Å; E1610-R1614 PolarHBondContact OE2-NH2 2.9Å; Q1611-R1614 PolarHBondContact O-N 3.49Å; R1614-M1618 WeakPolarHBondContact O-CB 3.46Å; R1614-M1618 VanDerWaalsContact O-CG 3.29Å; R1614-M1618 WeakPolarHBondContact O-CG 3.43Å; R1614-M1618 PolarHBondContact O-N 2.81Å |
| 1615 | E | 78.5 | Confident | 78.2 | Confident | 64 Ų | 64 | 99.1 Ų | 99.1 | 30% | 0.299 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176 | -77.5 | 172.5 | -169 | 0 | 0 | 111.6 | K650 Q1611 Q1612 I1613 M1618 Q1619 | K650-E1615 IonicContact NZ-OE2 3.1Å; K650-E1615 PolarHBondContact NZ-OE2 3.05Å; Q1611-E1615 HydrophobicContact CG-CG 4.46Å; Q1611-E1615 WeakPolarHBondContact CG-OE1 3.21Å; Q1611-E1615 PolarHBondContact NE2-OE1 2.93Å; Q1611-E1615 WeakPolarHBondContact O-CB 3.45Å; Q1611-E1615 VanDerWaalsContact O-CG 3.32Å; Q1611-E1615 WeakPolarHBondContact O-CG 3.19Å; Q1611-E1615 PolarHBondContact O-N 3.15Å; Q1612-E1615 PolarHBondContact O-N 3.35Å; I1613-E1615 PolarHBondContact O-N 3.29Å; E1615-M1618 PolarHBondContact O-N 3.34Å; E1615-Q1619 WeakPolarHBondContact O-CB 3.43Å; E1615-Q1619 PolarHBondContact O-N 3.14Å |
| 1616 | L | 79.4 | Confident | 78.7 | Confident | 104 Ų | 104 | 103.8 Ų | 103.8 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 175.9 | -72.6 | 171.6 | 0 | 0 | 0 | 111.7 | Q1612 I1613 Q1619 V1620 | Q1612-L1616 WeakPolarHBondContact O-CB 3.3Å; Q1612-L1616 VanDerWaalsContact O-CG 3.3Å; Q1612-L1616 WeakPolarHBondContact O-CG 3.39Å; Q1612-L1616 PolarHBondContact O-N 2.98Å; I1613-L1616 PolarHBondContact O-N 2.9Å; L1616-Q1619 PolarHBondContact O-N 3.31Å; L1616-V1620 WeakPolarHBondContact O-CB 2.97Å; L1616-V1620 VanDerWaalsContact O-CG2 3.28Å; L1616-V1620 WeakPolarHBondContact O-CG2 3.32Å; L1616-V1620 PolarHBondContact O-N 3.46Å |
| 1617 | E | 82.6 | Confident | 79.2 | Confident | 110 Ų | 110 | 104.2 Ų | 104.2 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 173.7 | -75.7 | 174.8 | 161.4 | 0 | 0 | 111.1 | I1613 Q1619 V1620 D1621 | I1613-E1617 HydrophobicContact CG2-CG 4.18Å; I1613-E1617 WeakPolarHBondContact O-CB 3.46Å; I1613-E1617 VanDerWaalsContact O-CG 3.3Å; I1613-E1617 WeakPolarHBondContact O-CG 3.46Å; I1613-E1617 PolarHBondContact O-N 3.22Å; E1617-Q1619 VanDerWaalsContact C-N 3.31Å; E1617-Q1619 PolarHBondContact O-N 2.95Å; E1617-V1620 PolarHBondContact O-N 3.36Å; E1617-D1621 VanDerWaalsContact O-CB 3.31Å; E1617-D1621 WeakPolarHBondContact O-CB 3.31Å; E1617-D1621 PolarHBondContact O-N 3.27Å |
| 1618 | M | 80.4 | Confident | 79.7 | Confident | 126 Ų | 126 | 101.4 Ų | 101.4 | 62% | 0.621 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -36.7 | 174.5 | -73.5 | -166.9 | -44.7 | 0 | 0 | 112.5 | R1614 E1615 S1622 | R1614-M1618 WeakPolarHBondContact O-CB 3.46Å; R1614-M1618 VanDerWaalsContact O-CG 3.29Å; R1614-M1618 WeakPolarHBondContact O-CG 3.43Å; R1614-M1618 PolarHBondContact O-N 2.81Å; E1615-M1618 PolarHBondContact O-N 3.34Å; M1618-S1622 VanDerWaalsContact O-CB 3.31Å; M1618-S1622 WeakPolarHBondContact O-CB 3.5Å; M1618-S1622 PolarHBondContact O-N 2.99Å; M1618-S1622 PolarHBondContact O-OG 3.22Å |
| 1619 | Q | 81.3 | Confident | 80.2 | Confident | 128 Ų | 128 | 101.5 Ų | 101.5 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69 | -40.8 | 176.4 | -169.8 | 175.4 | -0.7 | 0 | 0 | 111.7 | E1615 L1616 E1617 S1622 S1623 | E1615-Q1619 WeakPolarHBondContact O-CB 3.43Å; E1615-Q1619 PolarHBondContact O-N 3.14Å; L1616-Q1619 PolarHBondContact O-N 3.31Å; E1617-Q1619 VanDerWaalsContact C-N 3.31Å; E1617-Q1619 PolarHBondContact O-N 2.95Å; Q1619-S1622 WeakPolarHBondContact CA-OG 3.41Å; Q1619-S1622 PolarHBondContact O-OG 3.36Å; Q1619-S1623 VanDerWaalsContact O-CB 3.28Å; Q1619-S1623 WeakPolarHBondContact O-CB 3.32Å; Q1619-S1623 PolarHBondContact O-N 3.47Å |
| 1620 | V | 82.1 | Confident | 80.5 | Confident | 82 Ų | 82 | 100.6 Ų | 100.6 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 174.3 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | L1616 E1617 S1623 N1624 | L1616-V1620 WeakPolarHBondContact O-CB 2.97Å; L1616-V1620 VanDerWaalsContact O-CG2 3.28Å; L1616-V1620 WeakPolarHBondContact O-CG2 3.32Å; L1616-V1620 PolarHBondContact O-N 3.46Å; E1617-V1620 PolarHBondContact O-N 3.36Å; V1620-S1623 PolarHBondContact O-N 2.83Å; V1620-N1624 WeakPolarHBondContact CG1-ND2 3.35Å; V1620-N1624 VanDerWaalsContact O-CB 3.27Å; V1620-N1624 WeakPolarHBondContact O-CB 3.29Å; V1620-N1624 VanDerWaalsContact O-CG 3.27Å; V1620-N1624 PolarHBondContact O-N 3.42Å; V1620-N1624 PolarHBondContact O-ND2 3.24Å |
| 1621 | D | 82.9 | Confident | 80.7 | Confident | 87 Ų | 87 | 100 Ų | 100 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.8 | -84.3 | -5 | 0 | 0 | 0 | 112 | E1617 N1624 R1625 | E1617-D1621 VanDerWaalsContact O-CB 3.31Å; E1617-D1621 WeakPolarHBondContact O-CB 3.31Å; E1617-D1621 PolarHBondContact O-N 3.27Å; D1621-N1624 PolarHBondContact O-N 2.96Å; D1621-R1625 WeakPolarHBondContact O-CB 3.32Å; D1621-R1625 VanDerWaalsContact O-CG 3.24Å; D1621-R1625 WeakPolarHBondContact O-CG 3.47Å; D1621-R1625 PolarHBondContact O-N 3.44Å |
| 1622 | S | 82.1 | Confident | 81 | Confident | 71 Ų | 71 | 101.3 Ų | 101.3 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 176 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | M1618 Q1619 R1625 Y1626 | M1618-S1622 VanDerWaalsContact O-CB 3.31Å; M1618-S1622 WeakPolarHBondContact O-CB 3.5Å; M1618-S1622 PolarHBondContact O-N 2.99Å; M1618-S1622 PolarHBondContact O-OG 3.22Å; Q1619-S1622 WeakPolarHBondContact CA-OG 3.41Å; Q1619-S1622 PolarHBondContact O-OG 3.36Å; S1622-R1625 PolarHBondContact O-N 3.41Å; S1622-Y1626 WeakPolarHBondContact O-CB 3.21Å; S1622-Y1626 PolarHBondContact O-N 3.02Å |
| 1623 | S | 81.8 | Confident | 81.4 | Confident | 76 Ų | 76 | 105 Ų | 105 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 173.6 | -171.7 | 0 | 0 | 0 | 0 | 112 | Q1619 V1620 Y1626 K1627 | Q1619-S1623 VanDerWaalsContact O-CB 3.28Å; Q1619-S1623 WeakPolarHBondContact O-CB 3.32Å; Q1619-S1623 PolarHBondContact O-N 3.47Å; V1620-S1623 PolarHBondContact O-N 2.83Å; S1623-Y1626 PolarHBondContact O-N 3.46Å; S1623-K1627 WeakPolarHBondContact O-CB 3.38Å; S1623-K1627 PolarHBondContact O-N 3.36Å |
| 1624 | N | 82.5 | Confident | 81.4 | Confident | 76 Ų | 76 | 106.1 Ų | 106.1 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.5 | -78.1 | -25.8 | 0 | 0 | 0 | 111.9 | V1620 D1621 K1627 E1628 | V1620-N1624 WeakPolarHBondContact CG1-ND2 3.35Å; V1620-N1624 VanDerWaalsContact O-CB 3.27Å; V1620-N1624 WeakPolarHBondContact O-CB 3.29Å; V1620-N1624 VanDerWaalsContact O-CG 3.27Å; V1620-N1624 PolarHBondContact O-N 3.42Å; V1620-N1624 PolarHBondContact O-ND2 3.24Å; D1621-N1624 PolarHBondContact O-N 2.96Å; N1624-K1627 PolarHBondContact O-N 3.29Å; N1624-E1628 WeakPolarHBondContact O-CG 3.37Å; N1624-E1628 PolarHBondContact O-N 2.8Å |
| 1625 | R | 81.4 | Confident | 81.4 | Confident | 169 Ų | 169 | 106.1 Ų | 106.1 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 173.3 | -75.5 | 176.8 | -169.3 | -169.3 | 5.9 | 111.6 | D1621 S1622 E1628 D1629 | D1621-R1625 WeakPolarHBondContact O-CB 3.32Å; D1621-R1625 VanDerWaalsContact O-CG 3.24Å; D1621-R1625 WeakPolarHBondContact O-CG 3.47Å; D1621-R1625 PolarHBondContact O-N 3.44Å; S1622-R1625 PolarHBondContact O-N 3.41Å; R1625-E1628 PolarHBondContact O-N 3Å; R1625-D1629 WeakPolarHBondContact O-CB 3.43Å; R1625-D1629 PolarHBondContact O-N 3.44Å |
| 1626 | Y | 80.8 | Confident | 81.5 | Confident | 157 Ų | 157 | 109.4 Ų | 109.4 | 62% | 0.616 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 175.7 | -174.7 | -101.2 | 0 | 0 | 0 | 111.3 | S1622 S1623 E1628 D1629 M1630 | S1622-Y1626 WeakPolarHBondContact O-CB 3.21Å; S1622-Y1626 PolarHBondContact O-N 3.02Å; S1623-Y1626 PolarHBondContact O-N 3.46Å; Y1626-E1628 PolarHBondContact O-N 2.75Å; Y1626-D1629 PolarHBondContact O-N 3.37Å; Y1626-M1630 HydrophobicContact CD1-CG 4.13Å; Y1626-M1630 HydrophobicContact CE1-CG 3.77Å; Y1626-M1630 HydrophobicContact CE2-CG 4.21Å; Y1626-M1630 HydrophobicContact CE2-SD 4.3Å; Y1626-M1630 WeakPolarHBondContact O-CB 3.3Å; Y1626-M1630 VanDerWaalsContact O-CG 3.28Å; Y1626-M1630 WeakPolarHBondContact O-CG 3.16Å; Y1626-M1630 PolarHBondContact O-N 3.04Å |
| 1627 | K | 82.5 | Confident | 81.4 | Confident | 138 Ų | 138 | 106.8 Ų | 106.8 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.8 | -46.2 | 173.3 | 179.9 | -175 | 173.4 | -178.1 | 0 | 111.8 | S1623 N1624 T1631 | S1623-K1627 WeakPolarHBondContact O-CB 3.38Å; S1623-K1627 PolarHBondContact O-N 3.36Å; N1624-K1627 PolarHBondContact O-N 3.29Å; K1627-T1631 WeakPolarHBondContact O-CB 3.2Å; K1627-T1631 PolarHBondContact O-N 2.99Å; K1627-T1631 PolarHBondContact O-OG1 3.21Å |
| 1628 | E | 83.6 | Confident | 81.3 | Confident | 109 Ų | 109 | 104.8 Ų | 104.8 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.9 | -78.9 | -172.5 | -165.9 | 0 | 0 | 112.4 | N1624 R1625 Y1626 T1631 K1632 | N1624-E1628 WeakPolarHBondContact O-CG 3.37Å; N1624-E1628 PolarHBondContact O-N 2.8Å; R1625-E1628 PolarHBondContact O-N 3Å; Y1626-E1628 PolarHBondContact O-N 2.75Å; E1628-T1631 PolarHBondContact O-N 3.47Å; E1628-K1632 WeakPolarHBondContact O-CB 3.42Å; E1628-K1632 VanDerWaalsContact O-CG 3.25Å; E1628-K1632 WeakPolarHBondContact O-CG 2.94Å; E1628-K1632 PolarHBondContact O-N 2.81Å; E1628-K1632 IonicContact OE2-NZ 3.49Å; E1628-K1632 PolarHBondContact OE2-NZ 2.67Å |
| 1629 | D | 81.4 | Confident | 81.3 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 180 | -76.1 | -11.1 | 0 | 0 | 0 | 111.4 | R1625 Y1626 K1632 Q1633 | R1625-D1629 WeakPolarHBondContact O-CB 3.43Å; R1625-D1629 PolarHBondContact O-N 3.44Å; Y1626-D1629 PolarHBondContact O-N 3.37Å; D1629-K1632 PolarHBondContact O-N 3.27Å; D1629-K1632 IonicContact OD1-NZ 3.45Å; D1629-Q1633 WeakPolarHBondContact O-CB 3.45Å; D1629-Q1633 WeakPolarHBondContact O-CG 3.4Å; D1629-Q1633 PolarHBondContact O-N 3.44Å |
| 1630 | M | 81.4 | Confident | 81.1 | Confident | 84 Ų | 84 | 101 Ų | 101 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 172.4 | -68 | -56.5 | -70.4 | 0 | 0 | 111.6 | Y1626 Q1633 L1634 | Y1626-M1630 HydrophobicContact CD1-CG 4.13Å; Y1626-M1630 HydrophobicContact CE1-CG 3.77Å; Y1626-M1630 HydrophobicContact CE2-CG 4.21Å; Y1626-M1630 HydrophobicContact CE2-SD 4.3Å; Y1626-M1630 WeakPolarHBondContact O-CB 3.3Å; Y1626-M1630 VanDerWaalsContact O-CG 3.28Å; Y1626-M1630 WeakPolarHBondContact O-CG 3.16Å; Y1626-M1630 PolarHBondContact O-N 3.04Å; M1630-Q1633 PolarHBondContact O-N 3.33Å; M1630-L1634 WeakPolarHBondContact O-CB 3.4Å; M1630-L1634 PolarHBondContact O-N 2.82Å |
| 1631 | T | 81.5 | Confident | 80.8 | Confident | 62 Ų | 62 | 100.8 Ų | 100.8 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 174.7 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | K1627 E1628 K1635 | K1627-T1631 WeakPolarHBondContact O-CB 3.2Å; K1627-T1631 PolarHBondContact O-N 2.99Å; K1627-T1631 PolarHBondContact O-OG1 3.21Å; E1628-T1631 PolarHBondContact O-N 3.47Å; T1631-K1635 WeakPolarHBondContact O-CB 3.3Å; T1631-K1635 WeakPolarHBondContact O-CG 3.45Å; T1631-K1635 PolarHBondContact O-N 3.18Å |
| 1632 | K | 81.8 | Confident | 80.6 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 174.3 | -74.3 | 167.2 | -165.3 | 153.2 | 0 | 111.5 | E1628 D1629 K1635 K1636 | E1628-K1632 WeakPolarHBondContact O-CB 3.42Å; E1628-K1632 VanDerWaalsContact O-CG 3.25Å; E1628-K1632 WeakPolarHBondContact O-CG 2.94Å; E1628-K1632 PolarHBondContact O-N 2.81Å; E1628-K1632 IonicContact OE2-NZ 3.49Å; E1628-K1632 PolarHBondContact OE2-NZ 2.67Å; D1629-K1632 PolarHBondContact O-N 3.27Å; D1629-K1632 IonicContact OD1-NZ 3.45Å; K1632-K1635 PolarHBondContact O-N 2.69Å; K1632-K1636 VanDerWaalsContact O-CB 3.28Å; K1632-K1636 WeakPolarHBondContact O-CB 3.48Å; K1632-K1636 PolarHBondContact O-N 3.19Å |
| 1633 | Q | 81.8 | Confident | 80.4 | Confident | 127 Ų | 127 | 105.2 Ų | 105.2 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 175.1 | -78.7 | -173.4 | 16 | 0 | 0 | 111.4 | D1629 M1630 K1636 A1637 | D1629-Q1633 WeakPolarHBondContact O-CB 3.45Å; D1629-Q1633 WeakPolarHBondContact O-CG 3.4Å; D1629-Q1633 PolarHBondContact O-N 3.44Å; M1630-Q1633 PolarHBondContact O-N 3.33Å; Q1633-K1636 PolarHBondContact O-N 2.88Å; Q1633-A1637 WeakPolarHBondContact O-CB 3.23Å; Q1633-A1637 PolarHBondContact O-N 2.95Å |
| 1634 | L | 78.9 | Confident | 80 | Confident | 117 Ų | 117 | 107 Ų | 107 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.5 | -52.5 | 174.2 | -173.6 | 71.4 | 0 | 0 | 0 | 110.4 | M1630 K1636 A1637 T1638 | M1630-L1634 WeakPolarHBondContact O-CB 3.4Å; M1630-L1634 PolarHBondContact O-N 2.82Å; L1634-K1636 VanDerWaalsContact C-N 3.32Å; L1634-K1636 PolarHBondContact O-N 3.16Å; L1634-A1637 PolarHBondContact O-N 3.31Å; L1634-T1638 PolarHBondContact O-N 2.96Å; L1634-T1638 PolarHBondContact O-OG1 2.92Å |
| 1635 | K | 81.4 | Confident | 79.7 | Confident | 144 Ų | 144 | 106 Ų | 106 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.7 | -42 | 176.2 | -75.9 | 179.9 | 179.9 | -178.4 | 0 | 112.7 | T1631 K1632 T1638 V1639 | T1631-K1635 WeakPolarHBondContact O-CB 3.3Å; T1631-K1635 WeakPolarHBondContact O-CG 3.45Å; T1631-K1635 PolarHBondContact O-N 3.18Å; K1632-K1635 PolarHBondContact O-N 2.69Å; K1635-T1638 PolarHBondContact O-N 3.05Å; K1635-V1639 WeakPolarHBondContact O-CB 3.42Å; K1635-V1639 VanDerWaalsContact O-CG2 3.25Å; K1635-V1639 WeakPolarHBondContact O-CG2 3.36Å; K1635-V1639 PolarHBondContact O-N 3.17Å |
| 1636 | K | 80.3 | Confident | 79.4 | Confident | 134 Ų | 134 | 105.8 Ų | 105.8 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.9 | -41.4 | 178.9 | -171.9 | 179.6 | 179.1 | -177 | 0 | 111.6 | K1632 Q1633 L1634 V1639 Q1640 | K1632-K1636 VanDerWaalsContact O-CB 3.28Å; K1632-K1636 WeakPolarHBondContact O-CB 3.48Å; K1632-K1636 PolarHBondContact O-N 3.19Å; Q1633-K1636 PolarHBondContact O-N 2.88Å; L1634-K1636 VanDerWaalsContact C-N 3.32Å; L1634-K1636 PolarHBondContact O-N 3.16Å; K1636-V1639 PolarHBondContact O-N 3.07Å; K1636-Q1640 WeakPolarHBondContact O-CB 3.46Å; K1636-Q1640 WeakPolarHBondContact O-CG 3.08Å; K1636-Q1640 PolarHBondContact O-N 2.8Å |
| 1637 | A | 77.7 | Confident | 79.1 | Confident | 48 Ų | 48 | 103.9 Ų | 103.9 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1633 L1634 V1639 Q1640 V1641 | Q1633-A1637 WeakPolarHBondContact O-CB 3.23Å; Q1633-A1637 PolarHBondContact O-N 2.95Å; L1634-A1637 PolarHBondContact O-N 3.31Å; A1637-V1639 VanDerWaalsContact C-N 3.34Å; A1637-V1639 PolarHBondContact O-N 3.3Å; A1637-Q1640 PolarHBondContact O-N 3.5Å; A1637-V1641 WeakPolarHBondContact O-CG2 3.23Å; A1637-V1641 PolarHBondContact O-N 2.82Å |
| 1638 | T | 78.6 | Confident | 78.7 | Confident | 68 Ų | 68 | 101.4 Ų | 101.4 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.4 | -45 | 0 | 0 | 0 | 0 | 112.2 | L1634 K1635 K1642 | L1634-T1638 PolarHBondContact O-N 2.96Å; L1634-T1638 PolarHBondContact O-OG1 2.92Å; K1635-T1638 PolarHBondContact O-N 3.05Å; T1638-K1642 WeakPolarHBondContact O-CG 3.33Å; T1638-K1642 PolarHBondContact O-N 3.25Å; T1638-K1642 VanDerWaalsContact O-N 3.17Å |
| 1639 | V | 80.8 | Confident | 78.3 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.9 | -44 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | K1635 K1636 A1637 V1641 K1642 E1643 | K1635-V1639 WeakPolarHBondContact O-CB 3.42Å; K1635-V1639 VanDerWaalsContact O-CG2 3.25Å; K1635-V1639 WeakPolarHBondContact O-CG2 3.36Å; K1635-V1639 PolarHBondContact O-N 3.17Å; K1636-V1639 PolarHBondContact O-N 3.07Å; A1637-V1639 VanDerWaalsContact C-N 3.34Å; A1637-V1639 PolarHBondContact O-N 3.3Å; V1639-V1641 PolarHBondContact O-N 2.73Å; V1639-K1642 CarbonylContact O-C 3.48Å; V1639-K1642 PolarHBondContact O-N 3.33Å; V1639-E1643 HydrophobicContact CG1-CG 4.29Å; V1639-E1643 PolarHBondContact O-N 3.31Å |
| 1640 | Q | 78 | Confident | 78 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.6 | -81.8 | -174.9 | -38 | 0 | 0 | 112.4 | K1636 A1637 E1643 L1644 | K1636-Q1640 WeakPolarHBondContact O-CB 3.46Å; K1636-Q1640 WeakPolarHBondContact O-CG 3.08Å; K1636-Q1640 PolarHBondContact O-N 2.8Å; A1637-Q1640 PolarHBondContact O-N 3.5Å; Q1640-E1643 PolarHBondContact O-N 2.78Å; Q1640-L1644 WeakPolarHBondContact O-CB 3.03Å; Q1640-L1644 VanDerWaalsContact O-CG 3.31Å; Q1640-L1644 WeakPolarHBondContact O-CG 3.22Å; Q1640-L1644 PolarHBondContact O-N 3.23Å |
| 1641 | V | 75.9 | Confident | 77.7 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 174 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | A1637 V1639 L1644 Q1645 | A1637-V1641 WeakPolarHBondContact O-CG2 3.23Å; A1637-V1641 PolarHBondContact O-N 2.82Å; V1639-V1641 PolarHBondContact O-N 2.73Å; V1641-L1644 PolarHBondContact O-N 2.72Å; V1641-Q1645 WeakPolarHBondContact O-CB 3.47Å; V1641-Q1645 WeakPolarHBondContact O-CG 3.4Å; V1641-Q1645 PolarHBondContact O-N 2.91Å |
| 1642 | K | 77.4 | Confident | 77.3 | Confident | 141 Ų | 141 | 101 Ų | 101 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 175.7 | -74 | -175.8 | 177.7 | -171.7 | 0 | 113.1 | T1638 V1639 R1646 | T1638-K1642 WeakPolarHBondContact O-CG 3.33Å; T1638-K1642 PolarHBondContact O-N 3.25Å; T1638-K1642 VanDerWaalsContact O-N 3.17Å; V1639-K1642 CarbonylContact O-C 3.48Å; V1639-K1642 PolarHBondContact O-N 3.33Å; K1642-R1646 WeakPolarHBondContact O-CB 3.3Å; K1642-R1646 PolarHBondContact O-N 3.02Å |
| 1643 | E | 78.2 | Confident | 77.1 | Confident | 110 Ų | 110 | 101.4 Ų | 101.4 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | 175.4 | -79 | 176.7 | 167.3 | 0 | 0 | 111.2 | V1639 Q1640 Q1645 R1646 E1647 | V1639-E1643 HydrophobicContact CG1-CG 4.29Å; V1639-E1643 PolarHBondContact O-N 3.31Å; Q1640-E1643 PolarHBondContact O-N 2.78Å; E1643-Q1645 VanDerWaalsContact C-N 3.32Å; E1643-Q1645 PolarHBondContact O-N 3.19Å; E1643-R1646 CarbonylContact O-C 3.57Å; E1643-R1646 PolarHBondContact O-N 3.19Å; E1643-R1646 VanDerWaalsContact O-N 3.12Å; E1643-E1647 WeakPolarHBondContact O-CB 3.5Å; E1643-E1647 WeakPolarHBondContact O-CG 3.48Å; E1643-E1647 PolarHBondContact O-N 2.84Å |
| 1644 | L | 75.1 | Confident | 76.7 | Confident | 112 Ų | 112 | 96.6 Ų | 96.6 | 59% | 0.586 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -37.2 | 176 | -74.6 | 170.6 | 0 | 0 | 0 | 112.2 | Q1640 V1641 L1648 | Q1640-L1644 WeakPolarHBondContact O-CB 3.03Å; Q1640-L1644 VanDerWaalsContact O-CG 3.31Å; Q1640-L1644 WeakPolarHBondContact O-CG 3.22Å; Q1640-L1644 PolarHBondContact O-N 3.23Å; V1641-L1644 PolarHBondContact O-N 2.72Å; L1644-L1648 VanDerWaalsContact O-CB 3.26Å; L1644-L1648 WeakPolarHBondContact O-CB 3.12Å; L1644-L1648 PolarHBondContact O-N 3.11Å |
| 1645 | Q | 74.4 | Confident | 76.5 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 27% | 0.266 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 171.7 | -78.2 | 171.8 | -17.4 | 0 | 0 | 110.7 | V1641 E1643 L1648 E1649 | V1641-Q1645 WeakPolarHBondContact O-CB 3.47Å; V1641-Q1645 WeakPolarHBondContact O-CG 3.4Å; V1641-Q1645 PolarHBondContact O-N 2.91Å; E1643-Q1645 VanDerWaalsContact C-N 3.32Å; E1643-Q1645 PolarHBondContact O-N 3.19Å; Q1645-L1648 PolarHBondContact O-N 3.01Å; Q1645-E1649 PolarHBondContact O-N 2.71Å |
| 1646 | R | 75.7 | Confident | 76.2 | Confident | 164 Ų | 164 | 96.3 Ų | 96.3 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 178.2 | -154.6 | -173.1 | 102.3 | 171.5 | 5.1 | 112.3 | K1642 E1643 E1649 E1650 | K1642-R1646 WeakPolarHBondContact O-CB 3.3Å; K1642-R1646 PolarHBondContact O-N 3.02Å; E1643-R1646 CarbonylContact O-C 3.57Å; E1643-R1646 PolarHBondContact O-N 3.19Å; E1643-R1646 VanDerWaalsContact O-N 3.12Å; R1646-E1649 PolarHBondContact O-N 3.04Å; R1646-E1650 IonicContact CZ-OE1 3.9Å; R1646-E1650 IonicContact NE-OE1 2.75Å; R1646-E1650 PolarHBondContact NE-OE1 3.2Å; R1646-E1650 IonicContact NH2-OE1 3.45Å; R1646-E1650 PolarHBondContact NH2-OE1 3.03Å; R1646-E1650 WeakPolarHBondContact O-CB 3.39Å; R1646-E1650 WeakPolarHBondContact O-CG 3.42Å; R1646-E1650 PolarHBondContact O-N 3.25Å |
| 1647 | E | 74.8 | Confident | 75.9 | Confident | 117 Ų | 117 | 94.7 Ų | 94.7 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 174.9 | -74.2 | -179.9 | 177.9 | 0 | 0 | 111.6 | E1643 E1650 A1651 | E1643-E1647 WeakPolarHBondContact O-CB 3.5Å; E1643-E1647 WeakPolarHBondContact O-CG 3.48Å; E1643-E1647 PolarHBondContact O-N 2.84Å; E1647-E1650 PolarHBondContact O-N 3.04Å; E1647-A1651 WeakPolarHBondContact O-CB 3.37Å; E1647-A1651 PolarHBondContact O-N 3.49Å |
| 1648 | L | 74.3 | Confident | 75.7 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 45% | 0.45 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 173.9 | -169.8 | 88.2 | 0 | 0 | 0 | 111.5 | L1644 Q1645 R1652 | L1644-L1648 VanDerWaalsContact O-CB 3.26Å; L1644-L1648 WeakPolarHBondContact O-CB 3.12Å; L1644-L1648 PolarHBondContact O-N 3.11Å; Q1645-L1648 PolarHBondContact O-N 3.01Å; L1648-R1652 WeakPolarHBondContact O-CB 3.47Å; L1648-R1652 WeakPolarHBondContact O-CG 3.36Å; L1648-R1652 PolarHBondContact O-N 3.37Å |
| 1649 | E | 75 | Confident | 75.5 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 31% | 0.308 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 173.1 | -120.8 | 102.3 | -127.3 | 0 | 0 | 110.7 | R948 Q1645 R1646 A1651 R1652 Q1653 | R948-E1649 IonicContact CZ-OE1 3.19Å; R948-E1649 IonicContact NH1-OE1 2.91Å; R948-E1649 PolarHBondContact NH1-OE1 2.95Å; R948-E1649 IonicContact NH2-OE1 3.89Å; Q1645-E1649 PolarHBondContact O-N 2.71Å; R1646-E1649 PolarHBondContact O-N 3.04Å; E1649-A1651 VanDerWaalsContact C-N 3.35Å; E1649-A1651 PolarHBondContact O-N 2.89Å; E1649-R1652 PolarHBondContact O-N 2.97Å; E1649-Q1653 VanDerWaalsContact O-CB 3.31Å; E1649-Q1653 WeakPolarHBondContact O-CB 3.44Å; E1649-Q1653 PolarHBondContact O-N 2.94Å |
| 1650 | E | 76 | Confident | 75.1 | Confident | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 176.8 | -76.5 | 176.5 | -164.5 | 0 | 0 | 111.5 | R1646 E1647 G1654 | R1646-E1650 IonicContact CZ-OE1 3.9Å; R1646-E1650 IonicContact NE-OE1 2.75Å; R1646-E1650 PolarHBondContact NE-OE1 3.2Å; R1646-E1650 IonicContact NH2-OE1 3.45Å; R1646-E1650 PolarHBondContact NH2-OE1 3.03Å; R1646-E1650 WeakPolarHBondContact O-CB 3.39Å; R1646-E1650 WeakPolarHBondContact O-CG 3.42Å; R1646-E1650 PolarHBondContact O-N 3.25Å; E1647-E1650 PolarHBondContact O-N 3.04Å; E1650-G1654 PolarHBondContact O-N 3.17Å |
| 1651 | A | 73.4 | Confident | 74.8 | Confident | 62 Ų | 62 | 95.9 Ų | 95.9 | 51% | 0.512 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.1 | -31.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1647 E1649 R1655 | E1647-A1651 WeakPolarHBondContact O-CB 3.37Å; E1647-A1651 PolarHBondContact O-N 3.49Å; E1649-A1651 VanDerWaalsContact C-N 3.35Å; E1649-A1651 PolarHBondContact O-N 2.89Å; A1651-R1655 WeakPolarHBondContact O-CB 3.19Å; A1651-R1655 PolarHBondContact O-N 2.87Å; A1651-R1655 VanDerWaalsContact O-N 3.11Å |
| 1652 | R | 74.5 | Confident | 74.6 | Confident | 97 Ų | 97 | 97.3 Ų | 97.3 | 37% | 0.366 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.7 | -48.9 | 170.9 | -85.4 | 179.2 | 171.5 | 161.3 | 2.8 | 110.5 | L1648 E1649 G1654 R1655 D1656 | L1648-R1652 WeakPolarHBondContact O-CB 3.47Å; L1648-R1652 WeakPolarHBondContact O-CG 3.36Å; L1648-R1652 PolarHBondContact O-N 3.37Å; E1649-R1652 PolarHBondContact O-N 2.97Å; R1652-G1654 VanDerWaalsContact C-N 3.33Å; R1652-G1654 PolarHBondContact O-N 3.44Å; R1652-R1655 WeakPolarHBondContact O-CB 3.02Å; R1652-R1655 PolarHBondContact O-N 3.43Å; R1652-D1656 PolarHBondContact O-N 3.49Å |
| 1653 | Q | 76.6 | Confident | 74.4 | Confident | 124 Ų | 124 | 97.2 Ų | 97.2 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.9 | -46 | 176.3 | -158.6 | 110.3 | 24 | 0 | 0 | 110.7 | E1649 R1655 D1656 D1657 | E1649-Q1653 VanDerWaalsContact O-CB 3.31Å; E1649-Q1653 WeakPolarHBondContact O-CB 3.44Å; E1649-Q1653 PolarHBondContact O-N 2.94Å; Q1653-R1655 VanDerWaalsContact C-N 3.3Å; Q1653-R1655 PolarHBondContact O-N 2.7Å; Q1653-D1656 CarbonylContact O-C 3.59Å; Q1653-D1656 PolarHBondContact O-N 3.1Å; Q1653-D1657 WeakPolarHBondContact O-CB 2.78Å; Q1653-D1657 PolarHBondContact O-N 3.27Å |
| 1654 | G | 74.8 | Confident | 74.2 | Confident | 26 Ų | 26 | 95.6 Ų | 95.6 | 27% | 0.268 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -31.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1650 R1652 I1658 | E1650-G1654 PolarHBondContact O-N 3.17Å; R1652-G1654 VanDerWaalsContact C-N 3.33Å; R1652-G1654 PolarHBondContact O-N 3.44Å; G1654-I1658 WeakPolarHBondContact O-CB 3.31Å; G1654-I1658 WeakPolarHBondContact O-CD1 3.16Å; G1654-I1658 WeakPolarHBondContact O-CG1 3.27Å; G1654-I1658 PolarHBondContact O-N 2.88Å |
| 1655 | R | 73.4 | Confident | 74 | Confident | 150 Ų | 150 | 94.1 Ų | 94.1 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.6 | -39.7 | 173.9 | -155.7 | -160.8 | -36.9 | 166.8 | 10 | 111.7 | A1651 R1652 Q1653 D1657 I1658 A1659 | A1651-R1655 WeakPolarHBondContact O-CB 3.19Å; A1651-R1655 PolarHBondContact O-N 2.87Å; A1651-R1655 VanDerWaalsContact O-N 3.11Å; R1652-R1655 WeakPolarHBondContact O-CB 3.02Å; R1652-R1655 PolarHBondContact O-N 3.43Å; Q1653-R1655 VanDerWaalsContact C-N 3.3Å; Q1653-R1655 PolarHBondContact O-N 2.7Å; R1655-D1657 VanDerWaalsContact C-N 3.33Å; R1655-I1658 PolarHBondContact O-N 3.24Å; R1655-A1659 VanDerWaalsContact O-CB 3.26Å; R1655-A1659 WeakPolarHBondContact O-CB 3.25Å; R1655-A1659 PolarHBondContact O-N 2.95Å |
| 1656 | D | 75 | Confident | 73.8 | Confident | 104 Ų | 104 | 95.9 Ų | 95.9 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.8 | -37.2 | 175.6 | -67.1 | -17.9 | 0 | 0 | 0 | 110.4 | R1652 Q1653 A1659 A1660 | R1652-D1656 PolarHBondContact O-N 3.49Å; Q1653-D1656 CarbonylContact O-C 3.59Å; Q1653-D1656 PolarHBondContact O-N 3.1Å; D1656-A1659 PolarHBondContact O-N 3.34Å; D1656-A1660 WeakPolarHBondContact O-CB 3.01Å; D1656-A1660 PolarHBondContact O-N 3.11Å |
| 1657 | D | 74.5 | Confident | 73.5 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 173.3 | -71.3 | -19.2 | 0 | 0 | 0 | 111.2 | Q1653 R1655 A1660 L1661 | Q1653-D1657 WeakPolarHBondContact O-CB 2.78Å; Q1653-D1657 PolarHBondContact O-N 3.27Å; R1655-D1657 VanDerWaalsContact C-N 3.33Å; D1657-A1660 PolarHBondContact O-N 2.88Å; D1657-L1661 WeakPolarHBondContact O-CB 3.3Å; D1657-L1661 PolarHBondContact O-N 2.76Å |
| 1658 | I | 73 | Confident | 73.3 | Confident | 112 Ų | 112 | 97.5 Ų | 97.5 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | 174.4 | -70 | 165.2 | 0 | 0 | 0 | 110.9 | G1654 R1655 A1660 L1661 M1662 | G1654-I1658 WeakPolarHBondContact O-CB 3.31Å; G1654-I1658 WeakPolarHBondContact O-CD1 3.16Å; G1654-I1658 WeakPolarHBondContact O-CG1 3.27Å; G1654-I1658 PolarHBondContact O-N 2.88Å; R1655-I1658 PolarHBondContact O-N 3.24Å; I1658-A1660 VanDerWaalsContact C-N 3.34Å; I1658-L1661 PolarHBondContact O-N 3.02Å; I1658-M1662 HydrophobicContact CG2-CG 4.47Å; I1658-M1662 WeakPolarHBondContact O-CB 2.84Å; I1658-M1662 WeakPolarHBondContact O-CG 3.27Å; I1658-M1662 PolarHBondContact O-N 3.23Å |
| 1659 | A | 74.2 | Confident | 72.9 | Confident | 39 Ų | 39 | 94.6 Ų | 94.6 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1655 D1656 R1663 | R1655-A1659 VanDerWaalsContact O-CB 3.26Å; R1655-A1659 WeakPolarHBondContact O-CB 3.25Å; R1655-A1659 PolarHBondContact O-N 2.95Å; D1656-A1659 PolarHBondContact O-N 3.34Å; A1659-R1663 WeakPolarHBondContact O-CB 3.1Å; A1659-R1663 WeakPolarHBondContact O-CG 3.42Å; A1659-R1663 PolarHBondContact O-N 2.89Å |
| 1660 | A | 73.4 | Confident | 72.7 | Confident | 49 Ų | 49 | 99.5 Ų | 99.5 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D1656 D1657 I1658 M1662 R1663 D1664 | D1656-A1660 WeakPolarHBondContact O-CB 3.01Å; D1656-A1660 PolarHBondContact O-N 3.11Å; D1657-A1660 PolarHBondContact O-N 2.88Å; I1658-A1660 VanDerWaalsContact C-N 3.34Å; A1660-M1662 PolarHBondContact O-N 3.45Å; A1660-R1663 PolarHBondContact O-N 3.04Å; A1660-D1664 WeakPolarHBondContact O-CB 3.05Å; A1660-D1664 PolarHBondContact O-N 3.48Å |
| 1661 | L | 72.3 | Confident | 72.5 | Confident | 115 Ų | 115 | 98.1 Ų | 98.1 | 60% | 0.602 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | 177.2 | -143 | 107.6 | 0 | 0 | 0 | 111.9 | D1657 I1658 D1664 I1665 | D1657-L1661 WeakPolarHBondContact O-CB 3.3Å; D1657-L1661 PolarHBondContact O-N 2.76Å; I1658-L1661 PolarHBondContact O-N 3.02Å; L1661-D1664 PolarHBondContact O-N 3.31Å; L1661-I1665 HydrophobicContact CD2-CD1 4.01Å; L1661-I1665 WeakPolarHBondContact O-CB 2.94Å; L1661-I1665 VanDerWaalsContact O-CG1 3.25Å; L1661-I1665 WeakPolarHBondContact O-CG1 2.88Å; L1661-I1665 PolarHBondContact O-N 2.93Å |
| 1662 | M | 71.5 | Confident | 72.1 | Confident | 110 Ų | 110 | 96.1 Ų | 96.1 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 174.3 | -76.5 | -163.1 | 85.8 | 0 | 0 | 111.5 | I1658 A1660 D1664 I1665 E1666 | I1658-M1662 HydrophobicContact CG2-CG 4.47Å; I1658-M1662 WeakPolarHBondContact O-CB 2.84Å; I1658-M1662 WeakPolarHBondContact O-CG 3.27Å; I1658-M1662 PolarHBondContact O-N 3.23Å; A1660-M1662 PolarHBondContact O-N 3.45Å; M1662-D1664 VanDerWaalsContact C-N 3.26Å; M1662-D1664 PolarHBondContact O-N 2.97Å; M1662-I1665 PolarHBondContact O-N 2.77Å; M1662-E1666 WeakPolarHBondContact O-CB 3.36Å; M1662-E1666 PolarHBondContact O-N 2.81Å |
| 1663 | R | 73.5 | Confident | 71.8 | Confident | 138 Ų | 138 | 96.8 Ų | 96.8 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 172.8 | -82.8 | -171 | -85.3 | 175 | -8 | 111.5 | E959 A1659 A1660 K1667 | E959-R1663 IonicContact OE1-NH1 3.25Å; E959-R1663 PolarHBondContact OE1-NH1 3.35Å; A1659-R1663 WeakPolarHBondContact O-CB 3.1Å; A1659-R1663 WeakPolarHBondContact O-CG 3.42Å; A1659-R1663 PolarHBondContact O-N 2.89Å; A1660-R1663 PolarHBondContact O-N 3.04Å; R1663-K1667 WeakPolarHBondContact O-CB 3.28Å; R1663-K1667 PolarHBondContact O-N 3.47Å |
| 1664 | D | 72.4 | Confident | 71.5 | Confident | 76 Ų | 76 | 93.2 Ų | 93.2 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71 | -38.7 | 177.9 | -140.8 | 47 | 0 | 0 | 0 | 111.7 | A1660 L1661 M1662 K1667 R1668 | A1660-D1664 WeakPolarHBondContact O-CB 3.05Å; A1660-D1664 PolarHBondContact O-N 3.48Å; L1661-D1664 PolarHBondContact O-N 3.31Å; M1662-D1664 VanDerWaalsContact C-N 3.26Å; M1662-D1664 PolarHBondContact O-N 2.97Å; D1664-K1667 PolarHBondContact O-N 3.45Å; D1664-R1668 WeakPolarHBondContact O-CB 3.45Å; D1664-R1668 VanDerWaalsContact O-CG 3.28Å; D1664-R1668 WeakPolarHBondContact O-CG 3.3Å; D1664-R1668 PolarHBondContact O-N 2.9Å; D1664-R1668 IonicContact OD2-CZ 3.54Å; D1664-R1668 IonicContact OD2-NE 2.67Å; D1664-R1668 IonicContact OD2-NH2 3.42Å; D1664-R1668 PolarHBondContact OD2-NH2 2.9Å |
| 1665 | I | 71 | Confident | 71.1 | Confident | 81 Ų | 81 | 97 Ų | 97 | 42% | 0.415 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 173.1 | -69.8 | 166.7 | 0 | 0 | 0 | 110.8 | L1661 M1662 K1667 R1668 C1669 | L1661-I1665 HydrophobicContact CD2-CD1 4.01Å; L1661-I1665 WeakPolarHBondContact O-CB 2.94Å; L1661-I1665 VanDerWaalsContact O-CG1 3.25Å; L1661-I1665 WeakPolarHBondContact O-CG1 2.88Å; L1661-I1665 PolarHBondContact O-N 2.93Å; M1662-I1665 PolarHBondContact O-N 2.77Å; I1665-K1667 VanDerWaalsContact C-N 3.35Å; I1665-K1667 PolarHBondContact O-N 3.08Å; I1665-R1668 PolarHBondContact O-N 3.47Å; I1665-C1669 PolarHBondContact O-N 2.84Å |
| 1666 | E | 70.5 | Confident | 70.8 | Confident | 95 Ų | 95 | 91 Ų | 91 | 44% | 0.444 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 173.7 | -84.4 | -161.6 | 141.1 | 0 | 0 | 111.7 | M1662 R1668 C1669 R1670 | M1662-E1666 WeakPolarHBondContact O-CB 3.36Å; M1662-E1666 PolarHBondContact O-N 2.81Å; E1666-R1668 VanDerWaalsContact C-N 3.34Å; E1666-C1669 PolarHBondContact O-N 3.14Å; E1666-R1670 WeakPolarHBondContact O-CB 3.25Å; E1666-R1670 WeakPolarHBondContact O-CG 3.32Å; E1666-R1670 PolarHBondContact O-N 3.1Å |
| 1667 | K | 70.1 | Confident | 70.6 | Confident | 149 Ų | 149 | 90.2 Ų | 90.2 | 65% | 0.648 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 172.1 | -96.8 | -175.8 | 174.4 | 177.3 | 0 | 111.2 | R1663 D1664 I1665 R1670 C1671 | R1663-K1667 WeakPolarHBondContact O-CB 3.28Å; R1663-K1667 PolarHBondContact O-N 3.47Å; D1664-K1667 PolarHBondContact O-N 3.45Å; I1665-K1667 VanDerWaalsContact C-N 3.35Å; I1665-K1667 PolarHBondContact O-N 3.08Å; K1667-R1670 PolarHBondContact O-N 3.05Å; K1667-C1671 VanDerWaalsContact O-CB 3.28Å; K1667-C1671 WeakPolarHBondContact O-CB 2.73Å; K1667-C1671 PolarHBondContact O-N 3.21Å |
| 1668 | R | 70.1 | Confident | 70.4 | Confident | 165 Ų | 165 | 89.7 Ų | 89.7 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 176.6 | -74 | 176.4 | -155 | -179.9 | 8.6 | 112.4 | D1664 I1665 E1666 C1671 A1672 | D1664-R1668 WeakPolarHBondContact O-CB 3.45Å; D1664-R1668 VanDerWaalsContact O-CG 3.28Å; D1664-R1668 WeakPolarHBondContact O-CG 3.3Å; D1664-R1668 PolarHBondContact O-N 2.9Å; D1664-R1668 IonicContact OD2-CZ 3.54Å; D1664-R1668 IonicContact OD2-NE 2.67Å; D1664-R1668 IonicContact OD2-NH2 3.42Å; D1664-R1668 PolarHBondContact OD2-NH2 2.9Å; I1665-R1668 PolarHBondContact O-N 3.47Å; E1666-R1668 VanDerWaalsContact C-N 3.34Å; R1668-C1671 PolarHBondContact O-N 3.25Å; R1668-A1672 VanDerWaalsContact O-CB 3.26Å; R1668-A1672 WeakPolarHBondContact O-CB 3.39Å; R1668-A1672 PolarHBondContact O-N 2.92Å |
| 1669 | C | 65.8 | Low | 70.1 | Confident | 26 Ų | 26 | 86 Ų | 86 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 174.6 | -81.3 | 0 | 0 | 0 | 0 | 111.6 | I1665 E1666 C1671 A1672 E1673 | I1665-C1669 PolarHBondContact O-N 2.84Å; E1666-C1669 PolarHBondContact O-N 3.14Å; C1669-C1671 VanDerWaalsContact C-N 3.35Å; C1669-C1671 PolarHBondContact O-N 3.49Å; C1669-A1672 PolarHBondContact O-N 2.9Å; C1669-E1673 WeakPolarHBondContact O-CB 3.16Å; C1669-E1673 WeakPolarHBondContact O-CG 3.21Å; C1669-E1673 PolarHBondContact O-N 2.93Å |
| 1670 | R | 70.8 | Confident | 69.8 | Low | 168 Ų | 168 | 88.2 Ų | 88.2 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 175.8 | -71.3 | -175.4 | -164.6 | 173.9 | 8.8 | 112 | E1666 K1667 S1674 | E1666-R1670 WeakPolarHBondContact O-CB 3.25Å; E1666-R1670 WeakPolarHBondContact O-CG 3.32Å; E1666-R1670 PolarHBondContact O-N 3.1Å; K1667-R1670 PolarHBondContact O-N 3.05Å; R1670-S1674 WeakPolarHBondContact O-CB 3.12Å; R1670-S1674 PolarHBondContact O-N 2.98Å; R1670-S1674 PolarHBondContact O-OG 2.92Å |
| 1671 | C | 71.2 | Confident | 69.7 | Low | 75 Ų | 75 | 89.6 Ų | 89.6 | 51% | 0.507 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 172.1 | -100.9 | 0 | 0 | 0 | 0 | 111.1 | K1667 R1668 C1669 E1673 S1674 E1675 | K1667-C1671 VanDerWaalsContact O-CB 3.28Å; K1667-C1671 WeakPolarHBondContact O-CB 2.73Å; K1667-C1671 PolarHBondContact O-N 3.21Å; R1668-C1671 PolarHBondContact O-N 3.25Å; C1669-C1671 VanDerWaalsContact C-N 3.35Å; C1669-C1671 PolarHBondContact O-N 3.49Å; C1671-E1673 PolarHBondContact O-N 2.95Å; C1671-S1674 WeakPolarHBondContact CA-OG 3.47Å; C1671-S1674 CarbonylContact O-C 3.5Å; C1671-S1674 PolarHBondContact O-N 2.78Å; C1671-S1674 PolarHBondContact O-OG 2.77Å; C1671-E1675 WeakPolarHBondContact O-CB 3.14Å; C1671-E1675 PolarHBondContact O-N 3.07Å |
| 1672 | A | 65 | Low | 69.4 | Low | 19 Ų | 19 | 89.2 Ų | 89.2 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1668 C1669 E1675 I1676 | R1668-A1672 VanDerWaalsContact O-CB 3.26Å; R1668-A1672 WeakPolarHBondContact O-CB 3.39Å; R1668-A1672 PolarHBondContact O-N 2.92Å; C1669-A1672 PolarHBondContact O-N 2.9Å; A1672-E1675 PolarHBondContact O-N 3.05Å; A1672-I1676 WeakPolarHBondContact O-CG1 3.25Å; A1672-I1676 PolarHBondContact O-N 3.04Å |
| 1673 | E | 68.3 | Low | 69.1 | Low | 111 Ų | 111 | 85 Ų | 85 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 172.8 | -76.7 | 178.4 | 166.5 | 0 | 0 | 111.4 | C1669 C1671 I1676 T1677 | C1669-E1673 WeakPolarHBondContact O-CB 3.16Å; C1669-E1673 WeakPolarHBondContact O-CG 3.21Å; C1669-E1673 PolarHBondContact O-N 2.93Å; C1671-E1673 PolarHBondContact O-N 2.95Å; E1673-I1676 PolarHBondContact O-N 3.15Å; E1673-T1677 PolarHBondContact O-N 3Å; E1673-T1677 VanDerWaalsContact O-N 3.12Å; E1673-T1677 PolarHBondContact O-OG1 2.97Å |
| 1674 | S | 70.7 | Confident | 68.9 | Low | 50 Ų | 50 | 83.9 Ų | 83.9 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 175.3 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | R1670 C1671 T1677 I1678 | R1670-S1674 WeakPolarHBondContact O-CB 3.12Å; R1670-S1674 PolarHBondContact O-N 2.98Å; R1670-S1674 PolarHBondContact O-OG 2.92Å; C1671-S1674 WeakPolarHBondContact CA-OG 3.47Å; C1671-S1674 CarbonylContact O-C 3.5Å; C1671-S1674 PolarHBondContact O-N 2.78Å; C1671-S1674 PolarHBondContact O-OG 2.77Å; S1674-T1677 WeakPolarHBondContact CA-OG1 3.38Å; S1674-T1677 PolarHBondContact O-N 2.9Å; S1674-T1677 PolarHBondContact O-OG1 3.04Å; S1674-I1678 WeakPolarHBondContact O-CB 2.76Å; S1674-I1678 WeakPolarHBondContact O-CD1 3.23Å; S1674-I1678 WeakPolarHBondContact O-CG1 3.05Å; S1674-I1678 PolarHBondContact O-N 3.1Å |
| 1675 | E | 67 | Low | 68.8 | Low | 106 Ų | 106 | 83 Ų | 83 | 50% | 0.495 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 175.9 | -83.1 | -174.2 | 165 | 0 | 0 | 111.2 | C1671 A1672 I1678 L1679 | C1671-E1675 WeakPolarHBondContact O-CB 3.14Å; C1671-E1675 PolarHBondContact O-N 3.07Å; A1672-E1675 PolarHBondContact O-N 3.05Å; E1675-I1678 PolarHBondContact O-N 3.06Å; E1675-L1679 WeakPolarHBondContact O-CB 3.21Å; E1675-L1679 WeakPolarHBondContact O-CD1 3.1Å; E1675-L1679 WeakPolarHBondContact O-CG 3.48Å; E1675-L1679 PolarHBondContact O-N 2.94Å |
| 1676 | I | 65.6 | Low | 68.5 | Low | 22 Ų | 22 | 79.9 Ų | 79.9 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 173.3 | -73.1 | 164 | 0 | 0 | 0 | 111.3 | A1672 E1673 I1678 L1679 Q1680 V1753 | A1672-I1676 WeakPolarHBondContact O-CG1 3.25Å; A1672-I1676 PolarHBondContact O-N 3.04Å; E1673-I1676 PolarHBondContact O-N 3.15Å; I1676-I1678 VanDerWaalsContact C-N 3.31Å; I1676-I1678 PolarHBondContact O-N 3.25Å; I1676-L1679 PolarHBondContact O-N 3.35Å; I1676-Q1680 HydrophobicContact CG2-CG 4.41Å; I1676-Q1680 WeakPolarHBondContact O-CB 2.96Å; I1676-Q1680 PolarHBondContact O-N 2.96Å; I1676-V1753 HydrophobicContact CD1-CB 3.55Å; I1676-V1753 HydrophobicContact CD1-CG1 3.63Å; I1676-V1753 HydrophobicContact CD1-CG2 3.13Å; I1676-V1753 HydrophobicContact CG1-CG2 4.28Å |
| 1677 | T | 72.3 | Confident | 68.3 | Low | 88 Ų | 88 | 78 Ų | 78 | 54% | 0.54 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | -179.8 | 18.1 | 0 | 0 | 0 | 0 | 111.3 | E1673 S1674 S1681 | E1673-T1677 PolarHBondContact O-N 3Å; E1673-T1677 VanDerWaalsContact O-N 3.12Å; E1673-T1677 PolarHBondContact O-OG1 2.97Å; S1674-T1677 WeakPolarHBondContact CA-OG1 3.38Å; S1674-T1677 PolarHBondContact O-N 2.9Å; S1674-T1677 PolarHBondContact O-OG1 3.04Å; T1677-S1681 WeakPolarHBondContact O-CB 3.26Å; T1677-S1681 PolarHBondContact O-N 2.99Å |
| 1678 | I | 70.5 | Confident | 68.4 | Low | 89 Ų | 89 | 74.5 Ų | 74.5 | 46% | 0.456 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 173 | -67.7 | 165.3 | 0 | 0 | 0 | 110.7 | S1674 E1675 I1676 S1681 Q1682 | S1674-I1678 WeakPolarHBondContact O-CB 2.76Å; S1674-I1678 WeakPolarHBondContact O-CD1 3.23Å; S1674-I1678 WeakPolarHBondContact O-CG1 3.05Å; S1674-I1678 PolarHBondContact O-N 3.1Å; E1675-I1678 PolarHBondContact O-N 3.06Å; I1676-I1678 VanDerWaalsContact C-N 3.31Å; I1676-I1678 PolarHBondContact O-N 3.25Å; I1678-S1681 CarbonylContact O-C 3.59Å; I1678-S1681 WeakPolarHBondContact O-CB 2.86Å; I1678-S1681 PolarHBondContact O-N 3.13Å; I1678-Q1682 HydrophobicContact CG2-CG 4.34Å; I1678-Q1682 WeakPolarHBondContact O-CB 3.49Å; I1678-Q1682 VanDerWaalsContact O-CG 3.31Å; I1678-Q1682 WeakPolarHBondContact O-CG 3.18Å; I1678-Q1682 PolarHBondContact O-N 3.24Å |
| 1679 | L | 66.1 | Low | 68.2 | Low | 35 Ų | 35 | 68.5 Ų | 68.5 | 18% | 0.183 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.2 | -33.3 | -179.9 | -75.8 | 166.6 | 0 | 0 | 0 | 112.5 | E1675 I1676 Q1682 L1683 L1749 | E1675-L1679 WeakPolarHBondContact O-CB 3.21Å; E1675-L1679 WeakPolarHBondContact O-CD1 3.1Å; E1675-L1679 WeakPolarHBondContact O-CG 3.48Å; E1675-L1679 PolarHBondContact O-N 2.94Å; I1676-L1679 PolarHBondContact O-N 3.35Å; L1679-Q1682 PolarHBondContact O-N 2.94Å; L1679-L1683 VanDerWaalsContact O-CB 3.27Å; L1679-L1683 WeakPolarHBondContact O-CB 3.48Å; L1679-L1683 PolarHBondContact O-N 3.09Å; L1679-L1749 HydrophobicContact CD1-CD1 3.32Å |
| 1680 | Q | 68.2 | Low | 68.3 | Low | 86 Ų | 86 | 71 Ų | 71 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 169.7 | -85.4 | 178.9 | -38.9 | 0 | 0 | 110.9 | I1676 Q1682 L1683 D1684 | I1676-Q1680 HydrophobicContact CG2-CG 4.41Å; I1676-Q1680 WeakPolarHBondContact O-CB 2.96Å; I1676-Q1680 PolarHBondContact O-N 2.96Å; Q1680-Q1682 VanDerWaalsContact C-N 3.3Å; Q1680-Q1682 PolarHBondContact O-N 3.44Å; Q1680-L1683 PolarHBondContact O-N 3.37Å; Q1680-D1684 PolarHBondContact O-N 2.86Å |
| 1681 | S | 70.2 | Confident | 68.1 | Low | 77 Ų | 77 | 69.4 Ų | 69.4 | 54% | 0.538 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 172.4 | 161.5 | 0 | 0 | 0 | 0 | 112.3 | T1677 I1678 A1685 | T1677-S1681 WeakPolarHBondContact O-CB 3.26Å; T1677-S1681 PolarHBondContact O-N 2.99Å; I1678-S1681 CarbonylContact O-C 3.59Å; I1678-S1681 WeakPolarHBondContact O-CB 2.86Å; I1678-S1681 PolarHBondContact O-N 3.13Å; S1681-A1685 VanDerWaalsContact O-CB 3.26Å; S1681-A1685 WeakPolarHBondContact O-CB 2.85Å; S1681-A1685 PolarHBondContact O-N 3.16Å |
| 1682 | Q | 66.6 | Low | 68.1 | Low | 108 Ų | 108 | 71.9 Ų | 71.9 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.6 | -36.3 | 177.4 | -75.1 | 177.5 | -6.5 | 0 | 0 | 111.9 | I1678 L1679 Q1680 A1685 A1686 | I1678-Q1682 HydrophobicContact CG2-CG 4.34Å; I1678-Q1682 WeakPolarHBondContact O-CB 3.49Å; I1678-Q1682 VanDerWaalsContact O-CG 3.31Å; I1678-Q1682 WeakPolarHBondContact O-CG 3.18Å; I1678-Q1682 PolarHBondContact O-N 3.24Å; L1679-Q1682 PolarHBondContact O-N 2.94Å; Q1680-Q1682 VanDerWaalsContact C-N 3.3Å; Q1680-Q1682 PolarHBondContact O-N 3.44Å; Q1682-A1685 PolarHBondContact O-N 2.89Å; Q1682-A1686 VanDerWaalsContact O-CB 3.23Å; Q1682-A1686 WeakPolarHBondContact O-CB 2.84Å; Q1682-A1686 PolarHBondContact O-N 3.2Å |
| 1683 | L | 64.7 | Low | 68.1 | Low | 21 Ų | 21 | 71.9 Ų | 71.9 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.2 | -45 | 175.6 | -175.3 | 68.5 | 0 | 0 | 0 | 110.9 | L1679 Q1680 A1685 A1686 V1687 A1742 | L1679-L1683 VanDerWaalsContact O-CB 3.27Å; L1679-L1683 WeakPolarHBondContact O-CB 3.48Å; L1679-L1683 PolarHBondContact O-N 3.09Å; Q1680-L1683 PolarHBondContact O-N 3.37Å; L1683-A1685 VanDerWaalsContact C-N 3.3Å; L1683-A1685 PolarHBondContact O-N 3.37Å; L1683-A1686 PolarHBondContact O-N 2.67Å; L1683-V1687 WeakPolarHBondContact O-CB 3.2Å; L1683-V1687 VanDerWaalsContact O-CG2 3.24Å; L1683-V1687 WeakPolarHBondContact O-CG2 3.19Å; L1683-V1687 PolarHBondContact O-N 2.7Å; L1683-A1742 HydrophobicContact CD1-CB 4.28Å |
| 1684 | D | 70.7 | Confident | 67.9 | Low | 114 Ų | 114 | 69.7 Ų | 69.7 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.7 | -36.4 | 176.2 | -75.4 | -20.3 | 0 | 0 | 0 | 111.9 | Q1680 S1688 | Q1680-D1684 PolarHBondContact O-N 2.86Å; D1684-S1688 PolarHBondContact O-N 2.62Å; D1684-S1688 VanDerWaalsContact O-N 3.13Å; D1684-S1688 PolarHBondContact O-OG 2.74Å |
| 1685 | A | 70.2 | Confident | 68 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68 | -46.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1681 Q1682 L1683 S1688 A1689 | S1681-A1685 VanDerWaalsContact O-CB 3.26Å; S1681-A1685 WeakPolarHBondContact O-CB 2.85Å; S1681-A1685 PolarHBondContact O-N 3.16Å; Q1682-A1685 PolarHBondContact O-N 2.89Å; L1683-A1685 VanDerWaalsContact C-N 3.3Å; L1683-A1685 PolarHBondContact O-N 3.37Å; A1685-S1688 WeakPolarHBondContact O-CB 2.78Å; A1685-S1688 PolarHBondContact O-N 3.47Å; A1685-A1689 WeakPolarHBondContact O-CB 3.11Å; A1685-A1689 PolarHBondContact O-N 2.99Å |
| 1686 | A | 64.6 | Low | 68.1 | Low | 16 Ų | 16 | 71.1 Ų | 71.1 | 13% | 0.132 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1682 L1683 S1688 A1689 R1690 | Q1682-A1686 VanDerWaalsContact O-CB 3.23Å; Q1682-A1686 WeakPolarHBondContact O-CB 2.84Å; Q1682-A1686 PolarHBondContact O-N 3.2Å; L1683-A1686 PolarHBondContact O-N 2.67Å; A1686-S1688 VanDerWaalsContact C-N 3.29Å; A1686-S1688 PolarHBondContact O-N 3.48Å; A1686-A1689 PolarHBondContact O-N 2.73Å; A1686-R1690 WeakPolarHBondContact O-CB 2.75Å; A1686-R1690 PolarHBondContact O-N 2.74Å |
| 1687 | V | 66.3 | Low | 68.1 | Low | 56 Ų | 56 | 74.2 Ų | 74.2 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | L1683 K1691 | L1683-V1687 WeakPolarHBondContact O-CB 3.2Å; L1683-V1687 VanDerWaalsContact O-CG2 3.24Å; L1683-V1687 WeakPolarHBondContact O-CG2 3.19Å; L1683-V1687 PolarHBondContact O-N 2.7Å; V1687-K1691 PolarHBondContact O-N 3.44Å |
| 1688 | S | 71.3 | Confident | 68 | Low | 76 Ų | 76 | 73.7 Ų | 73.7 | 53% | 0.531 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.8 | -44.5 | 172.8 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | D1684 A1685 A1686 R1690 K1691 Q1692 | D1684-S1688 PolarHBondContact O-N 2.62Å; D1684-S1688 VanDerWaalsContact O-N 3.13Å; D1684-S1688 PolarHBondContact O-OG 2.74Å; A1685-S1688 WeakPolarHBondContact O-CB 2.78Å; A1685-S1688 PolarHBondContact O-N 3.47Å; A1686-S1688 VanDerWaalsContact C-N 3.29Å; A1686-S1688 PolarHBondContact O-N 3.48Å; S1688-R1690 PolarHBondContact O-N 2.9Å; S1688-K1691 PolarHBondContact O-N 2.73Å; S1688-Q1692 PolarHBondContact O-N 3.3Å; S1688-Q1692 VanDerWaalsContact O-N 3.16Å |
| 1689 | A | 67 | Low | 68 | Low | 39 Ų | 39 | 74.1 Ų | 74.1 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1685 A1686 K1691 Q1692 A1693 | A1685-A1689 WeakPolarHBondContact O-CB 3.11Å; A1685-A1689 PolarHBondContact O-N 2.99Å; A1686-A1689 PolarHBondContact O-N 2.73Å; A1689-K1691 VanDerWaalsContact C-N 3.32Å; A1689-K1691 PolarHBondContact O-N 2.7Å; A1689-Q1692 WeakPolarHBondContact O-CB 3.11Å; A1689-Q1692 PolarHBondContact O-N 3.5Å; A1689-A1693 PolarHBondContact O-N 3.42Å |
| 1690 | R | 66.2 | Low | 68 | Low | 77 Ų | 77 | 74.3 Ų | 74.3 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.4 | -44.7 | 176.2 | -163.8 | -167.4 | 86.7 | -169 | 5.7 | 112.3 | A1686 S1688 Q1692 A1693 E1694 | A1686-R1690 WeakPolarHBondContact O-CB 2.75Å; A1686-R1690 PolarHBondContact O-N 2.74Å; S1688-R1690 PolarHBondContact O-N 2.9Å; R1690-Q1692 VanDerWaalsContact C-N 3.27Å; R1690-Q1692 PolarHBondContact O-N 3.12Å; R1690-A1693 PolarHBondContact O-N 2.96Å; R1690-E1694 IonicContact NE-OE1 3.78Å; R1690-E1694 WeakPolarHBondContact O-CG 3.43Å; R1690-E1694 PolarHBondContact O-N 2.86Å |
| 1691 | K | 67.9 | Low | 67.8 | Low | 136 Ų | 136 | 73.5 Ų | 73.5 | 59% | 0.591 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.9 | -31.9 | 177 | -86.2 | -177.2 | 172.8 | 178.1 | 0 | 112.9 | V1687 S1688 A1689 T1695 | V1687-K1691 PolarHBondContact O-N 3.44Å; S1688-K1691 PolarHBondContact O-N 2.73Å; A1689-K1691 VanDerWaalsContact C-N 3.32Å; A1689-K1691 PolarHBondContact O-N 2.7Å; K1691-T1695 PolarHBondContact O-N 2.74Å; K1691-T1695 PolarHBondContact O-OG1 3.36Å |
| 1692 | Q | 71.8 | Confident | 67.6 | Low | 126 Ų | 126 | 76.8 Ų | 76.8 | 59% | 0.589 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.6 | -39.7 | 179.8 | -153.9 | 165.8 | 0.7 | 0 | 0 | 111.4 | S1688 A1689 R1690 T1695 E1696 | S1688-Q1692 PolarHBondContact O-N 3.3Å; S1688-Q1692 VanDerWaalsContact O-N 3.16Å; A1689-Q1692 WeakPolarHBondContact O-CB 3.11Å; A1689-Q1692 PolarHBondContact O-N 3.5Å; R1690-Q1692 VanDerWaalsContact C-N 3.27Å; R1690-Q1692 PolarHBondContact O-N 3.12Å; Q1692-T1695 WeakPolarHBondContact CA-OG1 3.29Å; Q1692-T1695 PolarHBondContact O-N 2.7Å; Q1692-T1695 PolarHBondContact O-OG1 2.93Å; Q1692-E1696 PolarHBondContact O-N 2.86Å; Q1692-E1696 VanDerWaalsContact O-N 3.11Å |
| 1693 | A | 64.5 | Low | 67.5 | Low | 20 Ų | 20 | 76.8 Ų | 76.8 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1689 R1690 T1695 E1696 R1697 L1732 | A1689-A1693 PolarHBondContact O-N 3.42Å; R1690-A1693 PolarHBondContact O-N 2.96Å; A1693-T1695 PolarHBondContact O-N 2.59Å; A1693-E1696 PolarHBondContact O-N 3.34Å; A1693-R1697 PolarHBondContact O-N 3.39Å; A1693-L1732 HydrophobicContact CB-CD1 3.94Å |
| 1694 | E | 64.4 | Low | 67.3 | Low | 65 Ų | 65 | 77.1 Ų | 77.1 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.8 | -38.1 | 174.5 | -79.4 | 173.5 | 170.3 | 0 | 0 | 111.8 | R1690 D1698 L1732 | R1690-E1694 IonicContact NE-OE1 3.78Å; R1690-E1694 WeakPolarHBondContact O-CG 3.43Å; R1690-E1694 PolarHBondContact O-N 2.86Å; E1694-D1698 PolarHBondContact O-N 2.73Å; E1694-L1732 HydrophobicContact CG-CD1 3.88Å |
| 1695 | T | 71.8 | Confident | 66.9 | Low | 82 Ų | 82 | 75.8 Ų | 75.8 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.4 | -40.5 | 179.2 | 31.2 | 0 | 0 | 0 | 0 | 112.7 | K1691 Q1692 A1693 D1698 D1699 | K1691-T1695 PolarHBondContact O-N 2.74Å; K1691-T1695 PolarHBondContact O-OG1 3.36Å; Q1692-T1695 WeakPolarHBondContact CA-OG1 3.29Å; Q1692-T1695 PolarHBondContact O-N 2.7Å; Q1692-T1695 PolarHBondContact O-OG1 2.93Å; A1693-T1695 PolarHBondContact O-N 2.59Å; T1695-D1698 PolarHBondContact O-N 2.66Å; T1695-D1699 PolarHBondContact O-N 2.87Å; T1695-D1699 VanDerWaalsContact O-N 3.15Å |
| 1696 | E | 70 | Confident | 66.6 | Low | 104 Ų | 104 | 76.5 Ų | 76.5 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 177.2 | -74.1 | -172.1 | -177.7 | 0 | 0 | 113.4 | Q1692 A1693 D1698 D1699 L1700 | Q1692-E1696 PolarHBondContact O-N 2.86Å; Q1692-E1696 VanDerWaalsContact O-N 3.11Å; A1693-E1696 PolarHBondContact O-N 3.34Å; E1696-D1698 VanDerWaalsContact C-N 3.34Å; E1696-D1698 PolarHBondContact O-N 3.41Å; E1696-D1699 PolarHBondContact O-N 2.89Å; E1696-L1700 WeakPolarHBondContact O-CG 3.42Å; E1696-L1700 PolarHBondContact O-N 3.37Å |
| 1697 | R | 65.8 | Low | 66.3 | Low | 86 Ų | 86 | 79.7 Ų | 79.7 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.2 | -177.1 | -147 | 64.5 | 172.6 | -9 | 111.5 | A1693 L1700 S1701 | A1693-R1697 PolarHBondContact O-N 3.39Å; R1697-L1700 PolarHBondContact O-N 3.17Å; R1697-S1701 WeakPolarHBondContact O-CB 3.15Å; R1697-S1701 PolarHBondContact O-N 2.74Å |
| 1698 | D | 69.5 | Low | 65.9 | Low | 78 Ų | 78 | 81.3 Ų | 81.3 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | -178.2 | -75.9 | -22.5 | 0 | 0 | 0 | 112.1 | E1694 T1695 E1696 L1700 S1701 E1702 | E1694-D1698 PolarHBondContact O-N 2.73Å; T1695-D1698 PolarHBondContact O-N 2.66Å; E1696-D1698 VanDerWaalsContact C-N 3.34Å; E1696-D1698 PolarHBondContact O-N 3.41Å; D1698-L1700 PolarHBondContact O-N 3.33Å; D1698-S1701 PolarHBondContact O-N 2.72Å; D1698-E1702 PolarHBondContact O-N 2.99Å |
| 1699 | D | 71.2 | Confident | 65.3 | Low | 97 Ų | 97 | 82 Ų | 82 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175.4 | -78.8 | -6.3 | 0 | 0 | 0 | 112.2 | T1695 E1696 E1702 Q1703 | T1695-D1699 PolarHBondContact O-N 2.87Å; T1695-D1699 VanDerWaalsContact O-N 3.15Å; E1696-D1699 PolarHBondContact O-N 2.89Å; D1699-E1702 PolarHBondContact O-N 2.84Å; D1699-Q1703 WeakPolarHBondContact O-CG 2.93Å; D1699-Q1703 PolarHBondContact O-N 3.48Å |
| 1700 | L | 65.1 | Low | 65 | Low | 40 Ų | 40 | 88.6 Ų | 88.6 | 21% | 0.209 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -71 | -35 | 178.2 | -76 | 170 | 0 | 0 | 0 | 112.6 | E1696 R1697 D1698 Q1703 L1704 I1725 L1728 | E1696-L1700 WeakPolarHBondContact O-CG 3.42Å; E1696-L1700 PolarHBondContact O-N 3.37Å; R1697-L1700 PolarHBondContact O-N 3.17Å; D1698-L1700 PolarHBondContact O-N 3.33Å; L1700-Q1703 PolarHBondContact O-N 3.44Å; L1700-L1704 WeakPolarHBondContact O-CB 2.78Å; L1700-L1704 PolarHBondContact O-N 2.77Å; L1700-I1725 HydrophobicContact CB-CG1 4.27Å; L1700-L1728 HydrophobicContact CD1-CD1 3.3Å |
| 1701 | S | 64 | Low | 63.9 | Low | 68 Ų | 68 | 88.9 Ų | 88.9 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.7 | -170 | 0 | 0 | 0 | 0 | 111.6 | R1697 D1698 L1704 S1705 | R1697-S1701 WeakPolarHBondContact O-CB 3.15Å; R1697-S1701 PolarHBondContact O-N 2.74Å; D1698-S1701 PolarHBondContact O-N 2.72Å; S1701-L1704 PolarHBondContact O-N 3.23Å; S1701-S1705 PolarHBondContact O-N 2.83Å; S1701-S1705 VanDerWaalsContact O-N 3.13Å |
| 1702 | E | 66.7 | Low | 63 | Low | 146 Ų | 146 | 87.3 Ų | 87.3 | 68% | 0.682 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | 173.8 | -116.6 | -173.7 | 179.8 | 0 | 0 | 112.3 | D1698 D1699 S1705 S1706 | D1698-E1702 PolarHBondContact O-N 2.99Å; D1699-E1702 PolarHBondContact O-N 2.84Å; E1702-S1705 WeakPolarHBondContact O-CB 3.34Å; E1702-S1705 PolarHBondContact O-N 3.27Å; E1702-S1706 PolarHBondContact O-N 2.8Å |
| 1703 | Q | 64.7 | Low | 61.9 | Low | 108 Ų | 108 | 87.1 Ų | 87.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 176.1 | -74.7 | -177.9 | 27.8 | 0 | 0 | 112.4 | D1699 L1700 S1705 S1706 L1707 | D1699-Q1703 WeakPolarHBondContact O-CG 2.93Å; D1699-Q1703 PolarHBondContact O-N 3.48Å; L1700-Q1703 PolarHBondContact O-N 3.44Å; Q1703-S1705 VanDerWaalsContact C-N 3.33Å; Q1703-S1705 PolarHBondContact O-N 2.78Å; Q1703-S1706 PolarHBondContact O-N 3.24Å; Q1703-S1706 VanDerWaalsContact O-N 3.17Å; Q1703-S1706 PolarHBondContact O-OG 2.75Å; Q1703-L1707 PolarHBondContact O-N 3.48Å; Q1703-L1707 VanDerWaalsContact O-N 3.11Å |
| 1704 | L | 59.5 | Low | 61.4 | Low | 28 Ų | 28 | 89.3 Ų | 89.3 | 15% | 0.147 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | 179.6 | -145 | 154.8 | 0 | 0 | 0 | 111.8 | L1700 S1701 L1721 E1722 I1725 | L1700-L1704 WeakPolarHBondContact O-CB 2.78Å; L1700-L1704 PolarHBondContact O-N 2.77Å; S1701-L1704 PolarHBondContact O-N 3.23Å; L1704-L1721 HydrophobicContact CD1-CB 3.74Å; L1704-L1721 HydrophobicContact CG-CB 4.42Å; L1704-E1722 HydrophobicContact CD1-CG 4.41Å; L1704-I1725 HydrophobicContact CB-CD1 4.36Å; L1704-I1725 HydrophobicContact CD1-CD1 3.4Å; L1704-I1725 HydrophobicContact CD1-CG1 4.45Å; L1704-I1725 HydrophobicContact CG-CD1 4.5Å |
| 1705 | S | 61.9 | Low | 61.2 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 169.1 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | S1701 E1702 Q1703 L1707 N1708 | S1701-S1705 PolarHBondContact O-N 2.83Å; S1701-S1705 VanDerWaalsContact O-N 3.13Å; E1702-S1705 WeakPolarHBondContact O-CB 3.34Å; E1702-S1705 PolarHBondContact O-N 3.27Å; Q1703-S1705 VanDerWaalsContact C-N 3.33Å; Q1703-S1705 PolarHBondContact O-N 2.78Å; S1705-L1707 PolarHBondContact O-N 2.6Å; S1705-N1708 PolarHBondContact O-N 3.42Å |
| 1706 | S | 64 | Low | 60.8 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | -177.1 | 84.7 | 0 | 0 | 0 | 0 | 113.9 | E1702 Q1703 N1708 A1709 | E1702-S1706 PolarHBondContact O-N 2.8Å; Q1703-S1706 PolarHBondContact O-N 3.24Å; Q1703-S1706 VanDerWaalsContact O-N 3.17Å; Q1703-S1706 PolarHBondContact O-OG 2.75Å; S1706-N1708 VanDerWaalsContact C-N 3.34Å; S1706-A1709 PolarHBondContact O-N 2.77Å |
| 1707 | L | 58.8 | Low | 60.4 | Low | 82 Ų | 82 | 91.5 Ų | 91.5 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.8 | -25.9 | -177.8 | -79.9 | 161.4 | 0 | 0 | 0 | 112.4 | Q1703 S1705 A1709 K1710 I1713 L1721 | Q1703-L1707 PolarHBondContact O-N 3.48Å; Q1703-L1707 VanDerWaalsContact O-N 3.11Å; S1705-L1707 PolarHBondContact O-N 2.6Å; L1707-A1709 PolarHBondContact O-N 2.81Å; L1707-K1710 PolarHBondContact O-N 2.77Å; L1707-I1713 HydrophobicContact CD2-CD1 4.06Å; L1707-L1721 HydrophobicContact CD1-CD1 4.16Å |
| 1708 | N | 58.9 | Low | 60.2 | Low | 91 Ų | 91 | 93.2 Ų | 93.2 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -67 | -19.2 | 175.9 | -86.7 | -20.4 | 0 | 0 | 0 | 114.1 | S1705 S1706 R1718 | S1705-N1708 PolarHBondContact O-N 3.42Å; S1706-N1708 VanDerWaalsContact C-N 3.34Å; N1708-R1718 PolarHBondContact ND2-NH2 3.18Å; N1708-R1718 PolarHBondContact OD1-NH2 2.63Å |
| 1709 | A | 58.8 | Low | 60.1 | Low | 89 Ų | 89 | 97.9 Ų | 97.9 | 74% | 0.736 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -81.7 | -7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1706 L1707 | S1706-A1709 PolarHBondContact O-N 2.77Å; L1707-A1709 PolarHBondContact O-N 2.81Å |
| 1710 | K | 59.9 | Low | 60 | Low | 179 Ų | 179 | 102.1 Ų | 102.1 | 78% | 0.778 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -114.9 | 15.4 | -169.8 | -77.2 | -177.5 | 178 | 173.2 | 0 | 117 | L1707 S1712 | L1707-K1710 PolarHBondContact O-N 2.77Å; K1710-S1712 VanDerWaalsContact C-N 3.27Å; K1710-S1712 PolarHBondContact O-N 3.01Å |
| 1711 | G | 43.9 | Very low | 60 | Low | 83 Ų | 83 | 103 Ų | 103 | 86% | 0.856 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 64.1 | 6.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 1712 | S | 48.4 | Very low | 60.3 | Low | 102 Ų | 102 | 103.9 Ų | 103.9 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | trans | -160.9 | 98.2 | -179.7 | 160.4 | 0 | 0 | 0 | 0 | 109.6 | K1710 | K1710-S1712 VanDerWaalsContact C-N 3.27Å; K1710-S1712 PolarHBondContact O-N 3.01Å | ||
| 1713 | I | 48.5 | Very low | 60.5 | Low | 123 Ų | 123 | 101 Ų | 101 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | trans | -164.8 | 141.2 | 153.4 | -91.9 | 138.5 | 0 | 0 | 0 | 107.6 | L1707 D1717 | L1707-I1713 HydrophobicContact CD2-CD1 4.06Å; I1713-D1717 HydrophobicContact CG2-CB 3.53Å | ||
| 1714 | S | 54.4 | Low | 60.8 | Low | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | trans | -57.9 | 148.8 | -166 | -178.9 | 0 | 0 | 0 | 0 | 113.6 | E1716 D1717 R1718 | S1714-E1716 PolarHBondContact O-N 3.5Å; S1714-E1716 VanDerWaalsContact O-N 3.07Å; S1714-E1716 PolarHBondContact OG-N 2.79Å; S1714-D1717 PolarHBondContact O-N 2.86Å; S1714-R1718 PolarHBondContact O-N 2.88Å | ||
| 1715 | A | 59.9 | Low | 61.3 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 69% | 0.694 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -56 | -23.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1719 | A1715-R1719 PolarHBondContact O-N 3.31Å |
| 1716 | E | 63.8 | Low | 61.9 | Low | 148 Ų | 148 | 107.5 Ų | 107.5 | 69% | 0.692 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69 | -36 | 173.6 | -95.5 | 171 | 155.8 | 0 | 0 | 113.5 | S1714 R1720 | S1714-E1716 PolarHBondContact O-N 3.5Å; S1714-E1716 VanDerWaalsContact O-N 3.07Å; S1714-E1716 PolarHBondContact OG-N 2.79Å; E1716-R1720 PolarHBondContact O-N 2.94Å |
| 1717 | D | 61.5 | Low | 62.2 | Low | 65 Ų | 65 | 106 Ų | 106 | 35% | 0.348 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -77.7 | -33.4 | -179 | -70.6 | -34.8 | 0 | 0 | 0 | 111.7 | I1713 S1714 R1720 L1721 | I1713-D1717 HydrophobicContact CG2-CB 3.53Å; S1714-D1717 PolarHBondContact O-N 2.86Å; D1717-R1720 PolarHBondContact O-N 3.14Å; D1717-L1721 WeakPolarHBondContact O-CG 3.02Å; D1717-L1721 PolarHBondContact O-N 2.86Å |
| 1718 | R | 61.7 | Low | 62.7 | Low | 122 Ų | 122 | 102.9 Ų | 102.9 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 172.1 | -165.2 | -170.9 | -114.6 | -171.6 | -4.1 | 111.1 | N1708 S1714 L1721 E1722 | N1708-R1718 PolarHBondContact ND2-NH2 3.18Å; N1708-R1718 PolarHBondContact OD1-NH2 2.63Å; S1714-R1718 PolarHBondContact O-N 2.88Å; R1718-L1721 PolarHBondContact O-N 2.7Å; R1718-E1722 HydrophobicContact CG-CG 4.47Å; R1718-E1722 WeakPolarHBondContact O-CB 3.34Å; R1718-E1722 WeakPolarHBondContact O-CG 3.21Å; R1718-E1722 PolarHBondContact O-N 3.14Å |
| 1719 | R | 66.3 | Low | 63.3 | Low | 176 Ų | 176 | 103.2 Ų | 103.2 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66 | -39 | 178.2 | -152.3 | 177.1 | -169.9 | 175.2 | 2.6 | 111.7 | A1715 L1721 E1722 D1723 | A1715-R1719 PolarHBondContact O-N 3.31Å; R1719-L1721 PolarHBondContact O-N 3.29Å; R1719-E1722 PolarHBondContact O-N 2.88Å; R1719-D1723 VanDerWaalsContact O-CB 3.24Å; R1719-D1723 WeakPolarHBondContact O-CB 3.17Å; R1719-D1723 PolarHBondContact O-N 2.91Å |
| 1720 | R | 70 | Confident | 64 | Low | 186 Ų | 186 | 105.3 Ų | 105.3 | 70% | 0.702 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 172.6 | -87.9 | -178.9 | 174.8 | 168 | -0.8 | 113.3 | E1716 D1717 R1724 | E1716-R1720 PolarHBondContact O-N 2.94Å; D1717-R1720 PolarHBondContact O-N 3.14Å; R1720-R1724 WeakPolarHBondContact O-CB 2.93Å; R1720-R1724 PolarHBondContact O-N 3.28Å |
| 1721 | L | 64.3 | Low | 64.4 | Low | 59 Ų | 59 | 102.3 Ų | 102.3 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73 | -38.6 | 179.5 | -72.6 | 168.9 | 0 | 0 | 0 | 111.9 | L1704 L1707 D1717 R1718 R1719 R1724 I1725 | L1704-L1721 HydrophobicContact CD1-CB 3.74Å; L1704-L1721 HydrophobicContact CG-CB 4.42Å; L1707-L1721 HydrophobicContact CD1-CD1 4.16Å; D1717-L1721 WeakPolarHBondContact O-CG 3.02Å; D1717-L1721 PolarHBondContact O-N 2.86Å; R1718-L1721 PolarHBondContact O-N 2.7Å; R1719-L1721 PolarHBondContact O-N 3.29Å; L1721-R1724 PolarHBondContact O-N 2.94Å; L1721-I1725 WeakPolarHBondContact O-CG1 3.26Å; L1721-I1725 PolarHBondContact O-N 3.09Å |
| 1722 | E | 70.3 | Confident | 65.7 | Low | 86 Ų | 86 | 99.4 Ų | 99.4 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 172.9 | -74.8 | 173 | -177.7 | 0 | 0 | 111.9 | L1704 R1718 R1719 R1724 I1725 R1726 | L1704-E1722 HydrophobicContact CD1-CG 4.41Å; R1718-E1722 HydrophobicContact CG-CG 4.47Å; R1718-E1722 WeakPolarHBondContact O-CB 3.34Å; R1718-E1722 WeakPolarHBondContact O-CG 3.21Å; R1718-E1722 PolarHBondContact O-N 3.14Å; R1719-E1722 PolarHBondContact O-N 2.88Å; E1722-R1724 VanDerWaalsContact C-N 3.31Å; E1722-R1724 PolarHBondContact O-N 3.18Å; E1722-I1725 PolarHBondContact O-N 2.91Å; E1722-R1726 VanDerWaalsContact O-CB 3.31Å; E1722-R1726 WeakPolarHBondContact O-CB 2.82Å; E1722-R1726 PolarHBondContact O-N 3.14Å |
| 1723 | D | 71.3 | Confident | 66.8 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 174.3 | -70.5 | -22.1 | 0 | 0 | 0 | 111.3 | R1719 A1727 | R1719-D1723 VanDerWaalsContact O-CB 3.24Å; R1719-D1723 WeakPolarHBondContact O-CB 3.17Å; R1719-D1723 PolarHBondContact O-N 2.91Å; D1723-A1727 VanDerWaalsContact O-CB 3.26Å; D1723-A1727 WeakPolarHBondContact O-CB 2.91Å; D1723-A1727 PolarHBondContact O-N 2.87Å |
| 1724 | R | 71.3 | Confident | 67.9 | Low | 171 Ų | 171 | 98.8 Ų | 98.8 | 65% | 0.645 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.7 | -41.2 | 175.7 | -159.4 | 76.6 | -179.8 | -178.9 | 5.3 | 112.3 | R1720 L1721 E1722 A1727 L1728 | R1720-R1724 WeakPolarHBondContact O-CB 2.93Å; R1720-R1724 PolarHBondContact O-N 3.28Å; L1721-R1724 PolarHBondContact O-N 2.94Å; E1722-R1724 VanDerWaalsContact C-N 3.31Å; E1722-R1724 PolarHBondContact O-N 3.18Å; R1724-A1727 PolarHBondContact O-N 3.15Å; R1724-L1728 WeakPolarHBondContact O-CG 3.36Å; R1724-L1728 PolarHBondContact O-N 3.36Å |
| 1725 | I | 69.8 | Low | 68.6 | Low | 26 Ų | 26 | 98.7 Ų | 98.7 | 13% | 0.133 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 174.3 | -70.9 | 178.7 | 0 | 0 | 0 | 110 | L1700 L1704 L1721 E1722 A1727 L1728 E1729 | L1700-I1725 HydrophobicContact CB-CG1 4.27Å; L1704-I1725 HydrophobicContact CB-CD1 4.36Å; L1704-I1725 HydrophobicContact CD1-CD1 3.4Å; L1704-I1725 HydrophobicContact CD1-CG1 4.45Å; L1704-I1725 HydrophobicContact CG-CD1 4.5Å; L1721-I1725 WeakPolarHBondContact O-CG1 3.26Å; L1721-I1725 PolarHBondContact O-N 3.09Å; E1722-I1725 PolarHBondContact O-N 2.91Å; I1725-A1727 VanDerWaalsContact C-N 3.32Å; I1725-A1727 PolarHBondContact O-N 3.35Å; I1725-L1728 CarbonylContact O-C 3.03Å; I1725-L1728 PolarHBondContact O-N 2.8Å; I1725-L1728 VanDerWaalsContact O-N 3.14Å; I1725-E1729 HydrophobicContact CG2-CG 4.36Å; I1725-E1729 WeakPolarHBondContact O-CG 3.41Å; I1725-E1729 PolarHBondContact O-N 3.36Å |
| 1726 | R | 74.1 | Confident | 69.1 | Low | 162 Ų | 162 | 97.7 Ų | 97.7 | 61% | 0.611 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.7 | -35 | 179.5 | -159.1 | -177.7 | -77 | 168.8 | -3.6 | 112.2 | E1722 E1729 E1730 | E1722-R1726 VanDerWaalsContact O-CB 3.31Å; E1722-R1726 WeakPolarHBondContact O-CB 2.82Å; E1722-R1726 PolarHBondContact O-N 3.14Å; R1726-E1729 PolarHBondContact O-N 3.18Å; R1726-E1730 PolarHBondContact O-N 3.03Å |
| 1727 | A | 71.1 | Confident | 69.5 | Low | 41 Ų | 41 | 94 Ų | 94 | 34% | 0.339 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1723 R1724 I1725 E1730 E1731 | D1723-A1727 VanDerWaalsContact O-CB 3.26Å; D1723-A1727 WeakPolarHBondContact O-CB 2.91Å; D1723-A1727 PolarHBondContact O-N 2.87Å; R1724-A1727 PolarHBondContact O-N 3.15Å; I1725-A1727 VanDerWaalsContact C-N 3.32Å; I1725-A1727 PolarHBondContact O-N 3.35Å; A1727-E1730 PolarHBondContact O-N 2.97Å; A1727-E1731 PolarHBondContact O-N 3.05Å |
| 1728 | L | 68.5 | Low | 69.9 | Low | 17 Ų | 17 | 95.1 Ų | 95.1 | 9% | 0.089 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -71.6 | -30.6 | 175.1 | -76.1 | 166.7 | 0 | 0 | 0 | 112.8 | L1700 R1724 I1725 L1732 | L1700-L1728 HydrophobicContact CD1-CD1 3.3Å; R1724-L1728 WeakPolarHBondContact O-CG 3.36Å; R1724-L1728 PolarHBondContact O-N 3.36Å; I1725-L1728 CarbonylContact O-C 3.03Å; I1725-L1728 PolarHBondContact O-N 2.8Å; I1725-L1728 VanDerWaalsContact O-N 3.14Å; L1728-L1732 WeakPolarHBondContact O-CB 3.48Å; L1728-L1732 PolarHBondContact O-N 2.98Å |
| 1729 | E | 72.2 | Confident | 70.1 | Confident | 97 Ų | 97 | 89.6 Ų | 89.6 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.2 | -39.1 | 172.1 | -73.8 | 177.3 | 158.8 | 0 | 0 | 111.5 | I1725 R1726 L1732 D1733 | I1725-E1729 HydrophobicContact CG2-CG 4.36Å; I1725-E1729 WeakPolarHBondContact O-CG 3.41Å; I1725-E1729 PolarHBondContact O-N 3.36Å; R1726-E1729 PolarHBondContact O-N 3.18Å; E1729-L1732 PolarHBondContact O-N 3.31Å; E1729-D1733 PolarHBondContact O-N 3.17Å |
| 1730 | E | 72.1 | Confident | 70.3 | Confident | 133 Ų | 133 | 87.3 Ų | 87.3 | 62% | 0.621 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 169.5 | -90.8 | -179.6 | 156.6 | 0 | 0 | 111.7 | R1726 A1727 L1732 D1733 D1734 | R1726-E1730 PolarHBondContact O-N 3.03Å; A1727-E1730 PolarHBondContact O-N 2.97Å; E1730-L1732 VanDerWaalsContact C-N 3.27Å; E1730-L1732 PolarHBondContact O-N 3.1Å; E1730-D1733 PolarHBondContact O-N 3.26Å; E1730-D1734 WeakPolarHBondContact O-CB 3.2Å; E1730-D1734 PolarHBondContact O-N 2.85Å |
| 1731 | E | 69.9 | Low | 70.4 | Confident | 117 Ų | 117 | 83.1 Ų | 83.1 | 55% | 0.547 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 174.8 | -80.6 | 179.8 | 174 | 0 | 0 | 112.3 | A1727 E1735 | A1727-E1731 PolarHBondContact O-N 3.05Å; E1731-E1735 WeakPolarHBondContact O-CB 3.46Å; E1731-E1735 WeakPolarHBondContact O-CG 3.47Å; E1731-E1735 PolarHBondContact O-N 3.21Å |
| 1732 | L | 69.6 | Low | 70.5 | Confident | 21 Ų | 21 | 81.6 Ų | 81.6 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.6 | -42.4 | 177.8 | -165.1 | 75.8 | 0 | 0 | 0 | 112.1 | A1693 E1694 L1728 E1729 E1730 E1735 L1736 | A1693-L1732 HydrophobicContact CB-CD1 3.94Å; E1694-L1732 HydrophobicContact CG-CD1 3.88Å; L1728-L1732 WeakPolarHBondContact O-CB 3.48Å; L1728-L1732 PolarHBondContact O-N 2.98Å; E1729-L1732 PolarHBondContact O-N 3.31Å; E1730-L1732 VanDerWaalsContact C-N 3.27Å; E1730-L1732 PolarHBondContact O-N 3.1Å; L1732-E1735 PolarHBondContact O-N 3.05Å; L1732-L1736 WeakPolarHBondContact O-CB 3.42Å; L1732-L1736 PolarHBondContact O-N 3.25Å |
| 1733 | D | 73.1 | Confident | 70.6 | Confident | 110 Ų | 110 | 80.8 Ų | 80.8 | 59% | 0.588 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.9 | -36 | 176.1 | -89.8 | -13 | 0 | 0 | 0 | 111.4 | E1729 E1730 L1736 T1737 | E1729-D1733 PolarHBondContact O-N 3.17Å; E1730-D1733 PolarHBondContact O-N 3.26Å; D1733-L1736 PolarHBondContact O-N 3.04Å; D1733-T1737 PolarHBondContact O-N 3.48Å; D1733-T1737 PolarHBondContact O-OG1 3.03Å |
| 1734 | D | 71.1 | Confident | 70.6 | Confident | 103 Ų | 103 | 81.1 Ų | 81.1 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.6 | -39.3 | 174.3 | -78.5 | -14.6 | 0 | 0 | 0 | 111.6 | E1730 T1737 N1738 | E1730-D1734 WeakPolarHBondContact O-CB 3.2Å; E1730-D1734 PolarHBondContact O-N 2.85Å; D1734-T1737 WeakPolarHBondContact CA-OG1 3.41Å; D1734-T1737 PolarHBondContact O-OG1 2.77Å; D1734-T1737 VanDerWaalsContact O-OG1 3.11Å; D1734-N1738 VanDerWaalsContact O-CB 3.31Å; D1734-N1738 WeakPolarHBondContact O-CB 3.42Å; D1734-N1738 VanDerWaalsContact O-CG 3.3Å; D1734-N1738 PolarHBondContact O-N 3.47Å; D1734-N1738 PolarHBondContact O-ND2 2.91Å |
| 1735 | E | 67.9 | Low | 70.5 | Confident | 63 Ų | 63 | 80.9 Ų | 80.9 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.7 | -29.1 | 175.7 | -80.6 | -63.7 | 171.4 | 0 | 0 | 113.5 | E1731 L1732 S1739 | E1731-E1735 WeakPolarHBondContact O-CB 3.46Å; E1731-E1735 WeakPolarHBondContact O-CG 3.47Å; E1731-E1735 PolarHBondContact O-N 3.21Å; L1732-E1735 PolarHBondContact O-N 3.05Å; E1735-S1739 VanDerWaalsContact O-CB 3.26Å; E1735-S1739 WeakPolarHBondContact O-CB 3.47Å; E1735-S1739 PolarHBondContact O-N 3.27Å |
| 1736 | L | 71.2 | Confident | 70.5 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.7 | -44.9 | 173.1 | -127.1 | 151.6 | 0 | 0 | 0 | 111 | L1732 D1733 S1739 E1740 | L1732-L1736 WeakPolarHBondContact O-CB 3.42Å; L1732-L1736 PolarHBondContact O-N 3.25Å; D1733-L1736 PolarHBondContact O-N 3.04Å; L1736-S1739 PolarHBondContact O-N 3.32Å; L1736-E1740 PolarHBondContact O-N 2.71Å |
| 1737 | T | 72 | Confident | 70.3 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67 | -37 | 174.5 | 39.3 | 0 | 0 | 0 | 0 | 112.1 | D1733 D1734 L1741 | D1733-T1737 PolarHBondContact O-N 3.48Å; D1733-T1737 PolarHBondContact O-OG1 3.03Å; D1734-T1737 WeakPolarHBondContact CA-OG1 3.41Å; D1734-T1737 PolarHBondContact O-OG1 2.77Å; D1734-T1737 VanDerWaalsContact O-OG1 3.11Å; T1737-L1741 VanDerWaalsContact O-CB 3.29Å; T1737-L1741 WeakPolarHBondContact O-CB 3.14Å; T1737-L1741 WeakPolarHBondContact O-CD1 2.98Å; T1737-L1741 WeakPolarHBondContact O-CG 3.11Å; T1737-L1741 PolarHBondContact O-N 2.76Å |
| 1738 | N | 69.9 | Low | 70.5 | Confident | 87 Ų | 87 | 85.9 Ų | 85.9 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 171.6 | -82.1 | -26.1 | 0 | 0 | 0 | 112.6 | D1734 A1742 | D1734-N1738 VanDerWaalsContact O-CB 3.31Å; D1734-N1738 WeakPolarHBondContact O-CB 3.42Å; D1734-N1738 VanDerWaalsContact O-CG 3.3Å; D1734-N1738 PolarHBondContact O-N 3.47Å; D1734-N1738 PolarHBondContact O-ND2 2.91Å; N1738-A1742 WeakPolarHBondContact O-CB 3.3Å; N1738-A1742 PolarHBondContact O-N 3.11Å |
| 1739 | S | 66.7 | Low | 70.4 | Confident | 7 Ų | 7 | 86.6 Ų | 86.6 | 5% | 0.049 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.2 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | E1735 L1736 N1743 | E1735-S1739 VanDerWaalsContact O-CB 3.26Å; E1735-S1739 WeakPolarHBondContact O-CB 3.47Å; E1735-S1739 PolarHBondContact O-N 3.27Å; L1736-S1739 PolarHBondContact O-N 3.32Å; S1739-N1743 WeakPolarHBondContact O-CB 3.3Å; S1739-N1743 PolarHBondContact O-N 3.44Å |
| 1740 | E | 70.9 | Confident | 70.5 | Confident | 128 Ų | 128 | 85.2 Ų | 85.2 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.3 | -44.3 | 175.9 | -72.9 | -172.4 | 163.6 | 0 | 0 | 112 | L1736 A1742 N1743 D1744 | L1736-E1740 PolarHBondContact O-N 2.71Å; E1740-A1742 VanDerWaalsContact C-N 3.34Å; E1740-A1742 PolarHBondContact O-N 3.09Å; E1740-N1743 PolarHBondContact O-N 3.31Å; E1740-D1744 PolarHBondContact O-N 3.47Å |
| 1741 | L | 71.5 | Confident | 70.6 | Confident | 98 Ų | 98 | 83.7 Ų | 83.7 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 175.4 | -80.1 | 163.7 | 0 | 0 | 0 | 112.4 | T1737 R1745 | T1737-L1741 VanDerWaalsContact O-CB 3.29Å; T1737-L1741 WeakPolarHBondContact O-CB 3.14Å; T1737-L1741 WeakPolarHBondContact O-CD1 2.98Å; T1737-L1741 WeakPolarHBondContact O-CG 3.11Å; T1737-L1741 PolarHBondContact O-N 2.76Å; L1741-R1745 WeakPolarHBondContact O-CB 3.48Å; L1741-R1745 WeakPolarHBondContact O-CG 3.48Å; L1741-R1745 PolarHBondContact O-N 3.46Å |
| 1742 | A | 67.2 | Low | 70.7 | Confident | 27 Ų | 27 | 83.2 Ų | 83.2 | 22% | 0.223 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1683 N1738 E1740 H1746 | L1683-A1742 HydrophobicContact CD1-CB 4.28Å; N1738-A1742 WeakPolarHBondContact O-CB 3.3Å; N1738-A1742 PolarHBondContact O-N 3.11Å; E1740-A1742 VanDerWaalsContact C-N 3.34Å; E1740-A1742 PolarHBondContact O-N 3.09Å; A1742-H1746 WeakPolarHBondContact O-CB 3.19Å; A1742-H1746 PolarHBondContact O-N 2.78Å |
| 1743 | N | 71.4 | Confident | 70.6 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 175.9 | -110.7 | -36.5 | 0 | 0 | 0 | 112.6 | S1739 E1740 H1746 R1747 | S1739-N1743 WeakPolarHBondContact O-CB 3.3Å; S1739-N1743 PolarHBondContact O-N 3.44Å; E1740-N1743 PolarHBondContact O-N 3.31Å; N1743-H1746 PolarHBondContact O-N 3.23Å; N1743-R1747 WeakPolarHBondContact O-CB 3.12Å; N1743-R1747 PolarHBondContact O-N 2.67Å |
| 1744 | D | 71.2 | Confident | 70.6 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.2 | -36.9 | 177.9 | -115.3 | 21.1 | 0 | 0 | 0 | 111.8 | E1740 K1748 | E1740-D1744 PolarHBondContact O-N 3.47Å; D1744-K1748 WeakPolarHBondContact O-CB 3.23Å; D1744-K1748 WeakPolarHBondContact O-CG 2.97Å; D1744-K1748 PolarHBondContact O-N 3.21Å |
| 1745 | R | 69.3 | Low | 70.7 | Confident | 166 Ų | 166 | 85.3 Ų | 85.3 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.6 | -43.1 | 169.8 | -79.8 | -179.8 | 177.5 | 165.2 | 1.5 | 111.8 | L1741 R1747 K1748 L1749 | L1741-R1745 WeakPolarHBondContact O-CB 3.48Å; L1741-R1745 WeakPolarHBondContact O-CG 3.48Å; L1741-R1745 PolarHBondContact O-N 3.46Å; R1745-R1747 PolarHBondContact O-N 3.42Å; R1745-K1748 PolarHBondContact O-N 3.4Å; R1745-L1749 VanDerWaalsContact O-CB 3.3Å; R1745-L1749 WeakPolarHBondContact O-CB 3.14Å; R1745-L1749 WeakPolarHBondContact O-CG 3.48Å; R1745-L1749 PolarHBondContact O-N 2.78Å |
| 1746 | H | 69.2 | Low | 70.9 | Confident | 21 Ų | 21 | 86.1 Ų | 86.1 | 10% | 0.097 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 177.7 | -175.4 | 25.4 | 0 | 0 | 0 | 111 | A1742 N1743 L1749 L1750 | A1742-H1746 WeakPolarHBondContact O-CB 3.19Å; A1742-H1746 PolarHBondContact O-N 2.78Å; N1743-H1746 PolarHBondContact O-N 3.23Å; H1746-L1749 PolarHBondContact O-N 2.93Å; H1746-L1750 WeakPolarHBondContact CE1-CD1 3.42Å; H1746-L1750 WeakPolarHBondContact NE2-CD1 3.18Å; H1746-L1750 VanDerWaalsContact O-CB 3.28Å; H1746-L1750 WeakPolarHBondContact O-CB 3.34Å; H1746-L1750 PolarHBondContact O-N 2.94Å |
| 1747 | R | 71.5 | Confident | 71.1 | Confident | 172 Ų | 172 | 86.6 Ų | 86.6 | 65% | 0.649 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 175.3 | -82.8 | -175 | -179 | -176.1 | 1.9 | 112.9 | N1743 R1745 L1749 L1750 I1751 | N1743-R1747 WeakPolarHBondContact O-CB 3.12Å; N1743-R1747 PolarHBondContact O-N 2.67Å; R1745-R1747 PolarHBondContact O-N 3.42Å; R1747-L1749 VanDerWaalsContact C-N 3.34Å; R1747-L1750 PolarHBondContact O-N 2.9Å; R1747-I1751 WeakPolarHBondContact O-CB 3.11Å; R1747-I1751 VanDerWaalsContact O-CG1 3.28Å; R1747-I1751 WeakPolarHBondContact O-CG1 3.42Å; R1747-I1751 PolarHBondContact O-N 2.93Å |
| 1748 | K | 73.7 | Confident | 71.2 | Confident | 140 Ų | 140 | 86.6 Ų | 86.6 | 61% | 0.609 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.1 | -40.3 | 176.5 | -80.2 | 177.8 | 179.4 | 170.1 | 0 | 111.9 | D1744 R1745 Q1752 | D1744-K1748 WeakPolarHBondContact O-CB 3.23Å; D1744-K1748 WeakPolarHBondContact O-CG 2.97Å; D1744-K1748 PolarHBondContact O-N 3.21Å; R1745-K1748 PolarHBondContact O-N 3.4Å; K1748-Q1752 VanDerWaalsContact O-CB 3.32Å; K1748-Q1752 WeakPolarHBondContact O-CB 3.09Å; K1748-Q1752 PolarHBondContact O-N 3.46Å |
| 1749 | L | 67.8 | Low | 71.3 | Confident | 33 Ų | 33 | 86.4 Ų | 86.4 | 17% | 0.173 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -72.6 | -34.6 | 176.3 | -78.1 | 163.1 | 0 | 0 | 0 | 112.3 | L1679 R1745 H1746 R1747 Q1752 V1753 | L1679-L1749 HydrophobicContact CD1-CD1 3.32Å; R1745-L1749 VanDerWaalsContact O-CB 3.3Å; R1745-L1749 WeakPolarHBondContact O-CB 3.14Å; R1745-L1749 WeakPolarHBondContact O-CG 3.48Å; R1745-L1749 PolarHBondContact O-N 2.78Å; H1746-L1749 PolarHBondContact O-N 2.93Å; R1747-L1749 VanDerWaalsContact C-N 3.34Å; L1749-Q1752 CarbonylContact O-C 3.43Å; L1749-Q1752 PolarHBondContact O-N 3.48Å; L1749-V1753 VanDerWaalsContact O-CB 3.22Å; L1749-V1753 WeakPolarHBondContact O-CB 3.48Å; L1749-V1753 WeakPolarHBondContact O-CG2 3.35Å; L1749-V1753 PolarHBondContact O-N 3.09Å |
| 1750 | L | 72.9 | Confident | 71.5 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 171.8 | -105.4 | 160 | 0 | 0 | 0 | 111.3 | H1746 R1747 V1753 E1754 | H1746-L1750 WeakPolarHBondContact CE1-CD1 3.42Å; H1746-L1750 WeakPolarHBondContact NE2-CD1 3.18Å; H1746-L1750 VanDerWaalsContact O-CB 3.28Å; H1746-L1750 WeakPolarHBondContact O-CB 3.34Å; H1746-L1750 PolarHBondContact O-N 2.94Å; R1747-L1750 PolarHBondContact O-N 2.9Å; L1750-V1753 PolarHBondContact O-N 3.03Å; L1750-E1754 WeakPolarHBondContact O-CB 3.38Å; L1750-E1754 PolarHBondContact O-N 2.95Å |
| 1751 | I | 75.1 | Confident | 71.6 | Confident | 101 Ų | 101 | 85.5 Ų | 85.5 | 52% | 0.518 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 174.8 | -67.9 | 167 | 0 | 0 | 0 | 109.3 | R1747 V1753 E1754 Q1755 | R1747-I1751 WeakPolarHBondContact O-CB 3.11Å; R1747-I1751 VanDerWaalsContact O-CG1 3.28Å; R1747-I1751 WeakPolarHBondContact O-CG1 3.42Å; R1747-I1751 PolarHBondContact O-N 2.93Å; I1751-V1753 VanDerWaalsContact C-N 3.28Å; I1751-V1753 PolarHBondContact O-N 3.46Å; I1751-E1754 PolarHBondContact O-N 3.02Å; I1751-Q1755 VanDerWaalsContact O-CB 3.26Å; I1751-Q1755 WeakPolarHBondContact O-CB 3.5Å; I1751-Q1755 PolarHBondContact O-N 2.88Å |
| 1752 | Q | 71 | Confident | 71.8 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 175 | -93.3 | -177.7 | -25.4 | 0 | 0 | 112.5 | K1748 L1749 L1756 | K1748-Q1752 VanDerWaalsContact O-CB 3.32Å; K1748-Q1752 WeakPolarHBondContact O-CB 3.09Å; K1748-Q1752 PolarHBondContact O-N 3.46Å; L1749-Q1752 CarbonylContact O-C 3.43Å; L1749-Q1752 PolarHBondContact O-N 3.48Å; Q1752-L1756 WeakPolarHBondContact O-CA 3.36Å; Q1752-L1756 WeakPolarHBondContact O-CB 3.44Å; Q1752-L1756 WeakPolarHBondContact O-CD1 3.46Å; Q1752-L1756 WeakPolarHBondContact O-CG 3.48Å; Q1752-L1756 PolarHBondContact O-N 3.16Å |
| 1753 | V | 68.2 | Low | 71.7 | Confident | 27 Ų | 27 | 87 Ų | 87 | 16% | 0.164 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -82.8 | -33.5 | 178.8 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | I1676 L1749 L1750 I1751 Q1755 L1756 T1757 | I1676-V1753 HydrophobicContact CD1-CB 3.55Å; I1676-V1753 HydrophobicContact CD1-CG1 3.63Å; I1676-V1753 HydrophobicContact CD1-CG2 3.13Å; I1676-V1753 HydrophobicContact CG1-CG2 4.28Å; L1749-V1753 VanDerWaalsContact O-CB 3.22Å; L1749-V1753 WeakPolarHBondContact O-CB 3.48Å; L1749-V1753 WeakPolarHBondContact O-CG2 3.35Å; L1749-V1753 PolarHBondContact O-N 3.09Å; L1750-V1753 PolarHBondContact O-N 3.03Å; I1751-V1753 VanDerWaalsContact C-N 3.28Å; I1751-V1753 PolarHBondContact O-N 3.46Å; V1753-Q1755 VanDerWaalsContact C-N 3.29Å; V1753-Q1755 PolarHBondContact O-N 2.86Å; V1753-L1756 CarbonylContact O-C 3.54Å; V1753-L1756 PolarHBondContact O-N 3.41Å; V1753-T1757 WeakPolarHBondContact O-CA 3.27Å; V1753-T1757 WeakPolarHBondContact O-CB 3.37Å; V1753-T1757 PolarHBondContact O-N 2.84Å; V1753-T1757 PolarHBondContact O-OG1 2.93Å |
| 1754 | E | 72.7 | Confident | 71.8 | Confident | 135 Ų | 135 | 91 Ų | 91 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.2 | -38.2 | 167.1 | -81.2 | -174.3 | 155.8 | 0 | 0 | 111 | L1750 I1751 S1758 | L1750-E1754 WeakPolarHBondContact O-CB 3.38Å; L1750-E1754 PolarHBondContact O-N 2.95Å; I1751-E1754 PolarHBondContact O-N 3.02Å; E1754-S1758 WeakPolarHBondContact O-CB 3.35Å; E1754-S1758 PolarHBondContact O-N 3.2Å |
| 1755 | Q | 74.5 | Confident | 71.9 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 54% | 0.542 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.4 | -47.8 | 174.4 | -133.8 | 163.6 | -8.7 | 0 | 0 | 110.9 | I1751 V1753 T1757 S1758 D1759 | I1751-Q1755 VanDerWaalsContact O-CB 3.26Å; I1751-Q1755 WeakPolarHBondContact O-CB 3.5Å; I1751-Q1755 PolarHBondContact O-N 2.88Å; V1753-Q1755 VanDerWaalsContact C-N 3.29Å; V1753-Q1755 PolarHBondContact O-N 2.86Å; Q1755-T1757 VanDerWaalsContact C-N 3.31Å; Q1755-T1757 PolarHBondContact O-N 2.85Å; Q1755-S1758 PolarHBondContact O-N 3Å; Q1755-D1759 WeakPolarHBondContact O-CA 3.46Å; Q1755-D1759 WeakPolarHBondContact O-CB 3.19Å; Q1755-D1759 PolarHBondContact O-N 3.29Å |
| 1756 | L | 72.2 | Confident | 71.9 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 41% | 0.414 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.3 | -27.8 | 176.7 | -73 | 167.6 | 0 | 0 | 0 | 112.3 | Q1752 V1753 L1760 | Q1752-L1756 WeakPolarHBondContact O-CA 3.36Å; Q1752-L1756 WeakPolarHBondContact O-CB 3.44Å; Q1752-L1756 WeakPolarHBondContact O-CD1 3.46Å; Q1752-L1756 WeakPolarHBondContact O-CG 3.48Å; Q1752-L1756 PolarHBondContact O-N 3.16Å; V1753-L1756 CarbonylContact O-C 3.54Å; V1753-L1756 PolarHBondContact O-N 3.41Å; L1756-L1760 WeakPolarHBondContact O-CA 3.18Å; L1756-L1760 WeakPolarHBondContact O-CB 3.48Å; L1756-L1760 PolarHBondContact O-N 3.48Å |
| 1757 | T | 74.7 | Confident | 71.9 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -81.8 | -35.6 | 176.1 | -52 | 0 | 0 | 0 | 0 | 110.2 | V1753 Q1755 S1761 | V1753-T1757 WeakPolarHBondContact O-CA 3.27Å; V1753-T1757 WeakPolarHBondContact O-CB 3.37Å; V1753-T1757 PolarHBondContact O-N 2.84Å; V1753-T1757 PolarHBondContact O-OG1 2.93Å; Q1755-T1757 VanDerWaalsContact C-N 3.31Å; Q1755-T1757 PolarHBondContact O-N 2.85Å; T1757-S1761 WeakPolarHBondContact O-CA 3.47Å; T1757-S1761 WeakPolarHBondContact O-CB 3.42Å; T1757-S1761 PolarHBondContact O-N 2.93Å; T1757-S1761 PolarHBondContact O-OG 2.9Å |
| 1758 | S | 74.2 | Confident | 71.9 | Confident | 71 Ų | 71 | 83.6 Ų | 83.6 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 169.2 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | E1754 Q1755 S1761 S1762 | E1754-S1758 WeakPolarHBondContact O-CB 3.35Å; E1754-S1758 PolarHBondContact O-N 3.2Å; Q1755-S1758 PolarHBondContact O-N 3Å; S1758-S1761 CarbonylContact O-C 3.59Å; S1758-S1761 PolarHBondContact O-N 3.01Å; S1758-S1761 PolarHBondContact O-OG 3.38Å; S1758-S1762 VanDerWaalsContact O-CB 3.29Å; S1758-S1762 WeakPolarHBondContact O-CB 3.5Å; S1758-S1762 PolarHBondContact O-N 3.35Å |
| 1759 | D | 72.3 | Confident | 71.8 | Confident | 84 Ų | 84 | 82.8 Ų | 82.8 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 176.7 | -69.2 | -16.5 | 0 | 0 | 0 | 110.4 | Q1755 S1762 E1763 | Q1755-D1759 WeakPolarHBondContact O-CA 3.46Å; Q1755-D1759 WeakPolarHBondContact O-CB 3.19Å; Q1755-D1759 PolarHBondContact O-N 3.29Å; D1759-S1762 CarbonylContact O-C 3.59Å; D1759-S1762 PolarHBondContact O-N 3.22Å; D1759-S1762 PolarHBondContact O-OG 2.87Å; D1759-E1763 WeakPolarHBondContact O-CA 3.49Å; D1759-E1763 WeakPolarHBondContact O-CB 3.13Å; D1759-E1763 PolarHBondContact O-N 2.95Å |
| 1760 | L | 70.3 | Confident | 72 | Confident | 46 Ų | 46 | 85.6 Ų | 85.6 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.2 | -29.5 | 174.9 | -171.1 | 82.7 | 0 | 0 | 0 | 112 | L1756 R1764 | L1756-L1760 WeakPolarHBondContact O-CA 3.18Å; L1756-L1760 WeakPolarHBondContact O-CB 3.48Å; L1756-L1760 PolarHBondContact O-N 3.48Å; L1760-R1764 HydrophobicContact CG-CG 4.41Å; L1760-R1764 WeakPolarHBondContact O-CA 3.37Å; L1760-R1764 WeakPolarHBondContact O-CB 3.08Å; L1760-R1764 WeakPolarHBondContact O-CG 3.39Å; L1760-R1764 PolarHBondContact O-N 3.25Å |
| 1761 | S | 73.8 | Confident | 71.9 | Confident | 70 Ų | 70 | 86 Ų | 86 | 49% | 0.49 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -75.3 | -34.8 | 171.8 | 80 | 0 | 0 | 0 | 0 | 110.8 | T1757 S1758 S1765 | T1757-S1761 WeakPolarHBondContact O-CA 3.47Å; T1757-S1761 WeakPolarHBondContact O-CB 3.42Å; T1757-S1761 PolarHBondContact O-N 2.93Å; T1757-S1761 PolarHBondContact O-OG 2.9Å; S1758-S1761 CarbonylContact O-C 3.59Å; S1758-S1761 PolarHBondContact O-N 3.01Å; S1758-S1761 PolarHBondContact O-OG 3.38Å; S1761-S1765 WeakPolarHBondContact O-CB 3.44Å; S1761-S1765 PolarHBondContact O-N 3.42Å |
| 1762 | S | 74.7 | Confident | 71.8 | Confident | 51 Ų | 51 | 87.9 Ų | 87.9 | 36% | 0.357 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.2 | -36.4 | 174.1 | 91.5 | 0 | 0 | 0 | 0 | 110.5 | S1758 D1759 S1765 N1766 | S1758-S1762 VanDerWaalsContact O-CB 3.29Å; S1758-S1762 WeakPolarHBondContact O-CB 3.5Å; S1758-S1762 PolarHBondContact O-N 3.35Å; D1759-S1762 CarbonylContact O-C 3.59Å; D1759-S1762 PolarHBondContact O-N 3.22Å; D1759-S1762 PolarHBondContact O-OG 2.87Å; S1762-S1765 CarbonylContact O-C 3.39Å; S1762-N1766 WeakPolarHBondContact O-CA 3.46Å; S1762-N1766 WeakPolarHBondContact O-CB 3.46Å; S1762-N1766 PolarHBondContact O-N 2.93Å; S1762-N1766 PolarHBondContact O-ND2 3.49Å |
| 1763 | E | 66.2 | Low | 71.8 | Confident | 106 Ų | 106 | 87.8 Ų | 87.8 | 50% | 0.495 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -80.5 | -30 | 175.6 | -96.8 | -68.2 | 173 | 0 | 0 | 111.4 | D1759 N1766 S1767 | D1759-E1763 WeakPolarHBondContact O-CA 3.49Å; D1759-E1763 WeakPolarHBondContact O-CB 3.13Å; D1759-E1763 PolarHBondContact O-N 2.95Å; E1763-N1766 CarbonylContact O-C 3.54Å; E1763-S1767 VanDerWaalsContact O-CA 3.26Å; E1763-S1767 WeakPolarHBondContact O-CA 3.38Å; E1763-S1767 WeakPolarHBondContact O-CB 3.23Å; E1763-S1767 PolarHBondContact O-N 3.1Å |
| 1764 | R | 72.2 | Confident | 72 | Confident | 151 Ų | 151 | 93 Ų | 93 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.6 | -35.9 | 168.3 | -82.2 | 177.5 | 173.1 | 171.5 | 1.3 | 110.6 | L1760 Q1768 | L1760-R1764 HydrophobicContact CG-CG 4.41Å; L1760-R1764 WeakPolarHBondContact O-CA 3.37Å; L1760-R1764 WeakPolarHBondContact O-CB 3.08Å; L1760-R1764 WeakPolarHBondContact O-CG 3.39Å; L1760-R1764 PolarHBondContact O-N 3.25Å; R1764-Q1768 WeakPolarHBondContact O-CA 3.47Å; R1764-Q1768 WeakPolarHBondContact O-CB 3.45Å; R1764-Q1768 VanDerWaalsContact O-CG 3.3Å; R1764-Q1768 WeakPolarHBondContact O-CG 3.38Å; R1764-Q1768 PolarHBondContact O-N 2.94Å |
| 1765 | S | 72.6 | Confident | 72.1 | Confident | 54 Ų | 54 | 91.9 Ų | 91.9 | 38% | 0.378 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.6 | -35.9 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 111 | S1761 S1762 K1769 | S1761-S1765 WeakPolarHBondContact O-CB 3.44Å; S1761-S1765 PolarHBondContact O-N 3.42Å; S1762-S1765 CarbonylContact O-C 3.39Å; S1765-K1769 WeakPolarHBondContact O-CB 3.36Å; S1765-K1769 WeakPolarHBondContact O-CG 3.22Å; S1765-K1769 PolarHBondContact O-N 2.93Å |
| 1766 | N | 71 | Confident | 72 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 40% | 0.401 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.5 | -31.5 | 176.4 | -77.2 | -14.6 | 0 | 0 | 0 | 111.1 | S1762 E1763 K1769 L1770 | S1762-N1766 WeakPolarHBondContact O-CA 3.46Å; S1762-N1766 WeakPolarHBondContact O-CB 3.46Å; S1762-N1766 PolarHBondContact O-N 2.93Å; S1762-N1766 PolarHBondContact O-ND2 3.49Å; E1763-N1766 CarbonylContact O-C 3.54Å; N1766-K1769 CarbonylContact O-C 3.59Å; N1766-L1770 VanDerWaalsContact O-CA 3.31Å; N1766-L1770 WeakPolarHBondContact O-CA 3.26Å; N1766-L1770 WeakPolarHBondContact O-CB 3.34Å; N1766-L1770 WeakPolarHBondContact O-CD1 3.31Å; N1766-L1770 WeakPolarHBondContact O-CG 3.49Å; N1766-L1770 PolarHBondContact O-N 3.41Å |
| 1767 | S | 68.3 | Low | 71.8 | Confident | 31 Ų | 31 | 91.8 Ų | 91.8 | 22% | 0.217 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -79.4 | -34 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | E1763 L1770 D1771 | E1763-S1767 VanDerWaalsContact O-CA 3.26Å; E1763-S1767 WeakPolarHBondContact O-CA 3.38Å; E1763-S1767 WeakPolarHBondContact O-CB 3.23Å; E1763-S1767 PolarHBondContact O-N 3.1Å; S1767-L1770 CarbonylContact O-C 3.57Å; S1767-L1770 PolarHBondContact O-N 3.22Å; S1767-D1771 WeakPolarHBondContact O-CA 3.45Å; S1767-D1771 WeakPolarHBondContact O-CB 3.26Å; S1767-D1771 PolarHBondContact O-N 2.94Å |
| 1768 | Q | 71.6 | Confident | 71.8 | Confident | 138 Ų | 138 | 91.3 Ų | 91.3 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.8 | -34.4 | 167.4 | -78.3 | -177.1 | -15.4 | 0 | 0 | 110.8 | R1764 M1772 | R1764-Q1768 WeakPolarHBondContact O-CA 3.47Å; R1764-Q1768 WeakPolarHBondContact O-CB 3.45Å; R1764-Q1768 VanDerWaalsContact O-CG 3.3Å; R1764-Q1768 WeakPolarHBondContact O-CG 3.38Å; R1764-Q1768 PolarHBondContact O-N 2.94Å; Q1768-M1772 WeakPolarHBondContact O-CA 3.35Å; Q1768-M1772 WeakPolarHBondContact O-CB 3.48Å; Q1768-M1772 WeakPolarHBondContact O-CG 3.4Å; Q1768-M1772 PolarHBondContact O-N 3.01Å |
| 1769 | K | 72.4 | Confident | 71.7 | Confident | 122 Ų | 122 | 95.1 Ų | 95.1 | 53% | 0.53 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 169.2 | -83.8 | 178.1 | 178.7 | 176.5 | 0 | 111.7 | S1765 N1766 E1773 | S1765-K1769 WeakPolarHBondContact O-CB 3.36Å; S1765-K1769 WeakPolarHBondContact O-CG 3.22Å; S1765-K1769 PolarHBondContact O-N 2.93Å; N1766-K1769 CarbonylContact O-C 3.59Å; K1769-E1773 VanDerWaalsContact O-CA 3.3Å; K1769-E1773 WeakPolarHBondContact O-CA 3.5Å; K1769-E1773 WeakPolarHBondContact O-CB 3.47Å; K1769-E1773 WeakPolarHBondContact O-CG 3.27Å; K1769-E1773 PolarHBondContact O-N 3.29Å |
| 1770 | L | 70.5 | Confident | 71.7 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -80 | -24.5 | 178.4 | -79.6 | 163.8 | 0 | 0 | 0 | 110.8 | N1766 S1767 E1773 R1774 | N1766-L1770 VanDerWaalsContact O-CA 3.31Å; N1766-L1770 WeakPolarHBondContact O-CA 3.26Å; N1766-L1770 WeakPolarHBondContact O-CB 3.34Å; N1766-L1770 WeakPolarHBondContact O-CD1 3.31Å; N1766-L1770 WeakPolarHBondContact O-CG 3.49Å; N1766-L1770 PolarHBondContact O-N 3.41Å; S1767-L1770 CarbonylContact O-C 3.57Å; S1767-L1770 PolarHBondContact O-N 3.22Å; L1770-E1773 CarbonylContact O-C 3.51Å; L1770-R1774 WeakPolarHBondContact O-CA 3.29Å; L1770-R1774 WeakPolarHBondContact O-CB 3.44Å; L1770-R1774 PolarHBondContact O-N 3.45Å |
| 1771 | D | 71.1 | Confident | 71.5 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -85.7 | -33.8 | 172.7 | -80.4 | -30.5 | 0 | 0 | 0 | 110.4 | S1767 R1774 E1775 | S1767-D1771 WeakPolarHBondContact O-CA 3.45Å; S1767-D1771 WeakPolarHBondContact O-CB 3.26Å; S1767-D1771 PolarHBondContact O-N 2.94Å; D1771-R1774 CarbonylContact O-C 3.58Å; D1771-R1774 PolarHBondContact O-N 3.44Å; D1771-E1775 WeakPolarHBondContact O-CA 3.28Å; D1771-E1775 WeakPolarHBondContact O-CB 3.11Å; D1771-E1775 WeakPolarHBondContact O-CG 3.2Å; D1771-E1775 PolarHBondContact O-N 3.44Å |
| 1772 | M | 74.2 | Confident | 71.6 | Confident | 141 Ų | 141 | 99.6 Ų | 99.6 | 70% | 0.695 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.3 | -40.4 | 166 | -74.5 | -172.3 | 79 | 0 | 0 | 110.2 | Q1768 R1774 L1776 | Q1768-M1772 WeakPolarHBondContact O-CA 3.35Å; Q1768-M1772 WeakPolarHBondContact O-CB 3.48Å; Q1768-M1772 WeakPolarHBondContact O-CG 3.4Å; Q1768-M1772 PolarHBondContact O-N 3.01Å; M1772-R1774 VanDerWaalsContact C-N 3.3Å; M1772-L1776 WeakPolarHBondContact O-CA 3.28Å; M1772-L1776 WeakPolarHBondContact O-CB 3.38Å; M1772-L1776 PolarHBondContact O-N 3.37Å |
| 1773 | E | 69.3 | Low | 71.5 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.4 | -27.3 | 171.3 | -78.8 | 176.8 | 177.7 | 0 | 0 | 110.3 | K1769 L1770 L1776 L1777 | K1769-E1773 VanDerWaalsContact O-CA 3.3Å; K1769-E1773 WeakPolarHBondContact O-CA 3.5Å; K1769-E1773 WeakPolarHBondContact O-CB 3.47Å; K1769-E1773 WeakPolarHBondContact O-CG 3.27Å; K1769-E1773 PolarHBondContact O-N 3.29Å; L1770-E1773 CarbonylContact O-C 3.51Å; E1773-L1776 CarbonylContact O-C 3.57Å; E1773-L1777 HydrophobicContact CB-CD1 4.46Å; E1773-L1777 WeakPolarHBondContact O-CA 3.24Å; E1773-L1777 WeakPolarHBondContact O-CB 3.16Å; E1773-L1777 VanDerWaalsContact O-CD1 3.3Å; E1773-L1777 WeakPolarHBondContact O-CD1 3.5Å; E1773-L1777 WeakPolarHBondContact O-CG 3.43Å; E1773-L1777 PolarHBondContact O-N 2.85Å |
| 1774 | R | 72.4 | Confident | 71.4 | Confident | 135 Ų | 135 | 100.8 Ų | 100.8 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -83.7 | -30.7 | 174.8 | 177 | -174 | 156.7 | -165.4 | -11.2 | 111.2 | L1770 D1771 M1772 L1777 E1778 | L1770-R1774 WeakPolarHBondContact O-CA 3.29Å; L1770-R1774 WeakPolarHBondContact O-CB 3.44Å; L1770-R1774 PolarHBondContact O-N 3.45Å; D1771-R1774 CarbonylContact O-C 3.58Å; D1771-R1774 PolarHBondContact O-N 3.44Å; M1772-R1774 VanDerWaalsContact C-N 3.3Å; R1774-L1777 CarbonylContact O-C 3.58Å; R1774-E1778 HydrophobicContact CG-CG 4.1Å; R1774-E1778 IonicContact CZ-OE1 3.58Å; R1774-E1778 IonicContact NE-OE1 3.79Å; R1774-E1778 PolarHBondContact NE-OE1 3.36Å; R1774-E1778 IonicContact NH2-OE1 2.67Å; R1774-E1778 PolarHBondContact NH2-OE1 2.79Å; R1774-E1778 VanDerWaalsContact NH2-OE1 3.1Å; R1774-E1778 VanDerWaalsContact O-CA 3.26Å; R1774-E1778 WeakPolarHBondContact O-CA 3.33Å; R1774-E1778 WeakPolarHBondContact O-CB 3.46Å; R1774-E1778 WeakPolarHBondContact O-CG 3.46Å; R1774-E1778 PolarHBondContact O-N 3.4Å |
| 1775 | E | 75 | Confident | 71.2 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.6 | -36.4 | 168.8 | -84.3 | -162.2 | 163.4 | 0 | 0 | 110.4 | D1771 E1778 R1779 | D1771-E1775 WeakPolarHBondContact O-CA 3.28Å; D1771-E1775 WeakPolarHBondContact O-CB 3.11Å; D1771-E1775 WeakPolarHBondContact O-CG 3.2Å; D1771-E1775 PolarHBondContact O-N 3.44Å; E1775-E1778 PolarHBondContact O-N 3.01Å; E1775-R1779 WeakPolarHBondContact O-CA 3.21Å; E1775-R1779 WeakPolarHBondContact O-CB 3.41Å; E1775-R1779 WeakPolarHBondContact O-CG 3.26Å; E1775-R1779 PolarHBondContact O-N 2.95Å; E1775-R1779 IonicContact OE2-NH1 2.93Å |
| 1776 | L | 73.4 | Confident | 71.2 | Confident | 107 Ų | 107 | 100.9 Ų | 100.9 | 56% | 0.56 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -75.5 | -32 | 173.7 | -161.7 | 110.1 | 0 | 0 | 0 | 110.2 | M1772 E1773 N1780 | M1772-L1776 WeakPolarHBondContact O-CA 3.28Å; M1772-L1776 WeakPolarHBondContact O-CB 3.38Å; M1772-L1776 PolarHBondContact O-N 3.37Å; E1773-L1776 CarbonylContact O-C 3.57Å; L1776-N1780 VanDerWaalsContact O-CA 3.29Å; L1776-N1780 WeakPolarHBondContact O-CA 3.47Å; L1776-N1780 WeakPolarHBondContact O-CB 3.31Å; L1776-N1780 PolarHBondContact O-N 3.44Å; L1776-N1780 PolarHBondContact O-ND2 3.46Å |
| 1777 | L | 68.4 | Low | 71 | Confident | 85 Ų | 85 | 103 Ų | 103 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -80.2 | -23.8 | 169.5 | -75 | 164.8 | 0 | 0 | 0 | 110.6 | E1773 R1774 N1780 I1781 | E1773-L1777 HydrophobicContact CB-CD1 4.46Å; E1773-L1777 WeakPolarHBondContact O-CA 3.24Å; E1773-L1777 WeakPolarHBondContact O-CB 3.16Å; E1773-L1777 VanDerWaalsContact O-CD1 3.3Å; E1773-L1777 WeakPolarHBondContact O-CD1 3.5Å; E1773-L1777 WeakPolarHBondContact O-CG 3.43Å; E1773-L1777 PolarHBondContact O-N 2.85Å; R1774-L1777 CarbonylContact O-C 3.58Å; L1777-N1780 CarbonylContact O-C 3.56Å; L1777-I1781 HydrophobicContact CB-CD1 4.2Å; L1777-I1781 WeakPolarHBondContact O-CA 3.24Å; L1777-I1781 WeakPolarHBondContact O-CB 3.31Å; L1777-I1781 WeakPolarHBondContact O-CD1 3.45Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.38Å; L1777-I1781 PolarHBondContact O-N 2.94Å |
| 1778 | E | 73.1 | Confident | 70.5 | Confident | 64 Ų | 64 | 104.6 Ų | 104.6 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -85.1 | -32.5 | 174.7 | -85.4 | -178 | -163.7 | 0 | 0 | 109.7 | R1774 E1775 I1781 R1782 | R1774-E1778 HydrophobicContact CG-CG 4.1Å; R1774-E1778 IonicContact CZ-OE1 3.58Å; R1774-E1778 IonicContact NE-OE1 3.79Å; R1774-E1778 PolarHBondContact NE-OE1 3.36Å; R1774-E1778 IonicContact NH2-OE1 2.67Å; R1774-E1778 PolarHBondContact NH2-OE1 2.79Å; R1774-E1778 VanDerWaalsContact NH2-OE1 3.1Å; R1774-E1778 VanDerWaalsContact O-CA 3.26Å; R1774-E1778 WeakPolarHBondContact O-CA 3.33Å; R1774-E1778 WeakPolarHBondContact O-CB 3.46Å; R1774-E1778 WeakPolarHBondContact O-CG 3.46Å; R1774-E1778 PolarHBondContact O-N 3.4Å; E1775-E1778 PolarHBondContact O-N 3.01Å; E1778-I1781 CarbonylContact O-C 3.51Å; E1778-R1782 WeakPolarHBondContact O-CB 3.46Å; E1778-R1782 WeakPolarHBondContact O-CG 3.37Å; E1778-R1782 PolarHBondContact O-N 2.86Å; E1778-R1782 IonicContact OE2-NH2 2.86Å |
| 1779 | R | 73.2 | Confident | 70.2 | Confident | 151 Ų | 151 | 103.7 Ų | 103.7 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.3 | -44.1 | 163.3 | -79.8 | -172.6 | -178.8 | 105 | -1.5 | 110.3 | E1775 I1781 R1782 D1783 | E1775-R1779 WeakPolarHBondContact O-CA 3.21Å; E1775-R1779 WeakPolarHBondContact O-CB 3.41Å; E1775-R1779 WeakPolarHBondContact O-CG 3.26Å; E1775-R1779 PolarHBondContact O-N 2.95Å; E1775-R1779 IonicContact OE2-NH1 2.93Å; R1779-I1781 VanDerWaalsContact C-N 3.28Å; R1779-I1781 PolarHBondContact O-N 3.41Å; R1779-R1782 CarbonylContact O-C 3.31Å; R1779-R1782 PolarHBondContact O-N 3.49Å; R1779-D1783 WeakPolarHBondContact O-CA 3.32Å; R1779-D1783 WeakPolarHBondContact O-CB 3.27Å; R1779-D1783 PolarHBondContact O-N 3.1Å |
| 1780 | N | 72 | Confident | 69.8 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 36% | 0.358 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.7 | -20.4 | 172.6 | -70.4 | -30.6 | 0 | 0 | 0 | 111.1 | L1776 L1777 L1784 | L1776-N1780 VanDerWaalsContact O-CA 3.29Å; L1776-N1780 WeakPolarHBondContact O-CA 3.47Å; L1776-N1780 WeakPolarHBondContact O-CB 3.31Å; L1776-N1780 PolarHBondContact O-N 3.44Å; L1776-N1780 PolarHBondContact O-ND2 3.46Å; L1777-N1780 CarbonylContact O-C 3.56Å; N1780-L1784 HydrophobicContact CB-CD1 4.34Å; N1780-L1784 WeakPolarHBondContact O-CA 3.22Å; N1780-L1784 WeakPolarHBondContact O-CB 3.47Å; N1780-L1784 WeakPolarHBondContact O-CD1 3.25Å; N1780-L1784 WeakPolarHBondContact O-CG 3.3Å; N1780-L1784 PolarHBondContact O-N 2.8Å |
| 1781 | I | 66.8 | Low | 69.2 | Low | 69 Ų | 69 | 102.8 Ų | 102.8 | 35% | 0.354 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -91 | -20.3 | 173.8 | -75.1 | 160.3 | 0 | 0 | 0 | 108.5 | L1777 E1778 R1779 R1785 | L1777-I1781 HydrophobicContact CB-CD1 4.2Å; L1777-I1781 WeakPolarHBondContact O-CA 3.24Å; L1777-I1781 WeakPolarHBondContact O-CB 3.31Å; L1777-I1781 WeakPolarHBondContact O-CD1 3.45Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.38Å; L1777-I1781 PolarHBondContact O-N 2.94Å; E1778-I1781 CarbonylContact O-C 3.51Å; R1779-I1781 VanDerWaalsContact C-N 3.28Å; R1779-I1781 PolarHBondContact O-N 3.41Å; I1781-R1785 HydrophobicContact CG2-CG 3.97Å; I1781-R1785 VanDerWaalsContact O-CA 3.28Å; I1781-R1785 WeakPolarHBondContact O-CA 3.42Å; I1781-R1785 WeakPolarHBondContact O-CB 3.49Å; I1781-R1785 VanDerWaalsContact O-CD 3.3Å; I1781-R1785 WeakPolarHBondContact O-CD 3.34Å; I1781-R1785 WeakPolarHBondContact O-CG 3.18Å; I1781-R1785 PolarHBondContact O-N 3.48Å |
| 1782 | R | 74.4 | Confident | 68.4 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -78.1 | -41.8 | 164.6 | -88.2 | 177.8 | -107 | 161.3 | -5.7 | 111.4 | E1778 R1779 R1785 A1786 | E1778-R1782 WeakPolarHBondContact O-CB 3.46Å; E1778-R1782 WeakPolarHBondContact O-CG 3.37Å; E1778-R1782 PolarHBondContact O-N 2.86Å; E1778-R1782 IonicContact OE2-NH2 2.86Å; R1779-R1782 CarbonylContact O-C 3.31Å; R1779-R1782 PolarHBondContact O-N 3.49Å; R1782-R1785 CarbonylContact O-C 3.51Å; R1782-A1786 WeakPolarHBondContact O-CB 3.43Å; R1782-A1786 PolarHBondContact O-N 3.38Å |
| 1783 | D | 72.7 | Confident | 67.5 | Low | 89 Ų | 89 | 102.1 Ų | 102.1 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75.2 | -34.4 | 173.6 | -83.6 | 5 | 0 | 0 | 0 | 111.3 | R1779 K1787 | R1779-D1783 WeakPolarHBondContact O-CA 3.32Å; R1779-D1783 WeakPolarHBondContact O-CB 3.27Å; R1779-D1783 PolarHBondContact O-N 3.1Å; D1783-K1787 WeakPolarHBondContact O-CA 3.28Å; D1783-K1787 WeakPolarHBondContact O-CB 3.37Å; D1783-K1787 WeakPolarHBondContact O-CD 3.4Å; D1783-K1787 WeakPolarHBondContact O-CG 3.49Å; D1783-K1787 PolarHBondContact O-N 3.43Å |
| 1784 | L | 65 | Low | 66.8 | Low | 93 Ų | 93 | 103.8 Ų | 103.8 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.3 | -48.6 | 167 | -68.5 | 161.4 | 0 | 0 | 0 | 107.2 | N1780 A1786 K1787 L1788 | N1780-L1784 HydrophobicContact CB-CD1 4.34Å; N1780-L1784 WeakPolarHBondContact O-CA 3.22Å; N1780-L1784 WeakPolarHBondContact O-CB 3.47Å; N1780-L1784 WeakPolarHBondContact O-CD1 3.25Å; N1780-L1784 WeakPolarHBondContact O-CG 3.3Å; N1780-L1784 PolarHBondContact O-N 2.8Å; L1784-A1786 PolarHBondContact O-N 2.97Å; L1784-A1786 VanDerWaalsContact O-N 3.11Å; L1784-K1787 CarbonylContact O-C 3.52Å; L1784-K1787 WeakPolarHBondContact O-CA 3.48Å; L1784-K1787 PolarHBondContact O-N 3.13Å; L1784-L1788 WeakPolarHBondContact O-CA 3.11Å; L1784-L1788 WeakPolarHBondContact O-CB 3.46Å; L1784-L1788 PolarHBondContact O-N 3.49Å |
| 1785 | R | 68.4 | Low | 65.9 | Low | 159 Ų | 159 | 103.4 Ų | 103.4 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.7 | -29.4 | 172.9 | -76.4 | 168.1 | -178.9 | -176.2 | 1.2 | 113.2 | I1781 R1782 N1789 | I1781-R1785 HydrophobicContact CG2-CG 3.97Å; I1781-R1785 VanDerWaalsContact O-CA 3.28Å; I1781-R1785 WeakPolarHBondContact O-CA 3.42Å; I1781-R1785 WeakPolarHBondContact O-CB 3.49Å; I1781-R1785 VanDerWaalsContact O-CD 3.3Å; I1781-R1785 WeakPolarHBondContact O-CD 3.34Å; I1781-R1785 WeakPolarHBondContact O-CG 3.18Å; I1781-R1785 PolarHBondContact O-N 3.48Å; R1782-R1785 CarbonylContact O-C 3.51Å; R1785-N1789 WeakPolarHBondContact O-CA 3.45Å; R1785-N1789 WeakPolarHBondContact O-CB 3.28Å; R1785-N1789 PolarHBondContact O-N 3.14Å; R1785-N1789 PolarHBondContact O-ND2 3.31Å; R1785-N1789 VanDerWaalsContact O-ND2 3.14Å |
| 1786 | A | 71.4 | Confident | 64.9 | Low | 48 Ų | 48 | 105.8 Ų | 105.8 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.1 | -45.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1782 L1784 L1788 N1789 E1790 | R1782-A1786 WeakPolarHBondContact O-CB 3.43Å; R1782-A1786 PolarHBondContact O-N 3.38Å; L1784-A1786 PolarHBondContact O-N 2.97Å; L1784-A1786 VanDerWaalsContact O-N 3.11Å; A1786-L1788 VanDerWaalsContact C-N 3.28Å; A1786-L1788 PolarHBondContact O-N 3.32Å; A1786-N1789 CarbonylContact O-C 3.55Å; A1786-E1790 VanDerWaalsContact O-CB 3.28Å; A1786-E1790 WeakPolarHBondContact O-CB 3.47Å; A1786-E1790 VanDerWaalsContact O-CG 3.27Å; A1786-E1790 WeakPolarHBondContact O-CG 3.18Å; A1786-E1790 PolarHBondContact O-N 2.64Å |
| 1787 | K | 66.4 | Low | 64 | Low | 120 Ų | 120 | 105 Ų | 105 | 52% | 0.522 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.1 | -7 | 174.4 | -71.3 | 169.6 | -179.4 | 165.8 | 0 | 114.3 | D1783 L1784 E1790 A1791 | D1783-K1787 WeakPolarHBondContact O-CA 3.28Å; D1783-K1787 WeakPolarHBondContact O-CB 3.37Å; D1783-K1787 WeakPolarHBondContact O-CD 3.4Å; D1783-K1787 WeakPolarHBondContact O-CG 3.49Å; D1783-K1787 PolarHBondContact O-N 3.43Å; L1784-K1787 CarbonylContact O-C 3.52Å; L1784-K1787 WeakPolarHBondContact O-CA 3.48Å; L1784-K1787 PolarHBondContact O-N 3.13Å; K1787-E1790 CarbonylContact O-C 3.51Å; K1787-A1791 WeakPolarHBondContact O-CA 3.13Å; K1787-A1791 WeakPolarHBondContact O-CB 3.44Å; K1787-A1791 PolarHBondContact O-N 2.81Å |
| 1788 | L | 59 | Low | 63.3 | Low | 65 Ų | 65 | 108.2 Ų | 108.2 | 34% | 0.34 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -111.5 | -36.1 | -175.9 | -177.7 | 80.7 | 0 | 0 | 0 | 104.5 | L1784 A1786 E1790 A1791 E1792 | L1784-L1788 WeakPolarHBondContact O-CA 3.11Å; L1784-L1788 WeakPolarHBondContact O-CB 3.46Å; L1784-L1788 PolarHBondContact O-N 3.49Å; A1786-L1788 VanDerWaalsContact C-N 3.28Å; A1786-L1788 PolarHBondContact O-N 3.32Å; L1788-E1790 PolarHBondContact O-N 2.94Å; L1788-A1791 PolarHBondContact O-N 3.2Å; L1788-E1792 HydrophobicContact CB-CG 4.43Å; L1788-E1792 HydrophobicContact CD1-CG 3.42Å; L1788-E1792 VanDerWaalsContact CD1-CG 3.42Å; L1788-E1792 WeakPolarHBondContact CD1-OE1 3.39Å; L1788-E1792 HydrophobicContact CD2-CG 4.48Å; L1788-E1792 WeakPolarHBondContact CD2-OE1 3.5Å; L1788-E1792 HydrophobicContact CG-CG 3.48Å; L1788-E1792 VanDerWaalsContact CG-CG 3.48Å; L1788-E1792 WeakPolarHBondContact CG-OE1 3.41Å; L1788-E1792 WeakPolarHBondContact CG-OE2 3.35Å; L1788-E1792 WeakPolarHBondContact O-CA 3.32Å; L1788-E1792 WeakPolarHBondContact O-CB 3.47Å; L1788-E1792 VanDerWaalsContact O-CG 3.26Å; L1788-E1792 WeakPolarHBondContact O-CG 3.2Å; L1788-E1792 PolarHBondContact O-N 2.96Å |
| 1789 | N | 64.5 | Low | 62.5 | Low | 119 Ų | 119 | 108.6 Ų | 108.6 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.3 | -29 | 155.1 | -71.3 | -19.5 | 0 | 0 | 0 | 111.8 | R1785 A1786 A1793 | R1785-N1789 WeakPolarHBondContact O-CA 3.45Å; R1785-N1789 WeakPolarHBondContact O-CB 3.28Å; R1785-N1789 PolarHBondContact O-N 3.14Å; R1785-N1789 PolarHBondContact O-ND2 3.31Å; R1785-N1789 VanDerWaalsContact O-ND2 3.14Å; A1786-N1789 CarbonylContact O-C 3.55Å; N1789-A1793 WeakPolarHBondContact O-CB 3.24Å |
| 1790 | E | 64.7 | Low | 61.9 | Low | 143 Ų | 143 | 108.2 Ų | 108.2 | 67% | 0.668 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -19.8 | 171.5 | -70.9 | 175.1 | 162.2 | 0 | 0 | 114 | A1786 K1787 L1788 Y1794 | A1786-E1790 VanDerWaalsContact O-CB 3.28Å; A1786-E1790 WeakPolarHBondContact O-CB 3.47Å; A1786-E1790 VanDerWaalsContact O-CG 3.27Å; A1786-E1790 WeakPolarHBondContact O-CG 3.18Å; A1786-E1790 PolarHBondContact O-N 2.64Å; K1787-E1790 CarbonylContact O-C 3.51Å; L1788-E1790 PolarHBondContact O-N 2.94Å; E1790-Y1794 VanDerWaalsContact O-CB 3.25Å; E1790-Y1794 WeakPolarHBondContact O-CB 3.2Å |
| 1791 | A | 57.8 | Low | 61.4 | Low | 51 Ų | 51 | 109.5 Ų | 109.5 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -18.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | K1787 L1788 A1793 Y1794 M1795 | K1787-A1791 WeakPolarHBondContact O-CA 3.13Å; K1787-A1791 WeakPolarHBondContact O-CB 3.44Å; K1787-A1791 PolarHBondContact O-N 2.81Å; L1788-A1791 PolarHBondContact O-N 3.2Å; A1791-A1793 VanDerWaalsContact C-N 3.29Å; A1791-Y1794 CarbonylContact O-C 3.45Å; A1791-Y1794 WeakPolarHBondContact O-CA 3.26Å; A1791-Y1794 PolarHBondContact O-N 2.79Å; A1791-M1795 PolarHBondContact O-N 2.99Å |
| 1792 | E | 54.9 | Low | 61.2 | Low | 127 Ų | 127 | 108.4 Ų | 108.4 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -24.7 | 153.7 | -60.7 | 173.4 | 153.6 | 0 | 0 | 110.3 | L1788 Y1794 | L1788-E1792 HydrophobicContact CB-CG 4.43Å; L1788-E1792 HydrophobicContact CD1-CG 3.42Å; L1788-E1792 VanDerWaalsContact CD1-CG 3.42Å; L1788-E1792 WeakPolarHBondContact CD1-OE1 3.39Å; L1788-E1792 HydrophobicContact CD2-CG 4.48Å; L1788-E1792 WeakPolarHBondContact CD2-OE1 3.5Å; L1788-E1792 HydrophobicContact CG-CG 3.48Å; L1788-E1792 VanDerWaalsContact CG-CG 3.48Å; L1788-E1792 WeakPolarHBondContact CG-OE1 3.41Å; L1788-E1792 WeakPolarHBondContact CG-OE2 3.35Å; L1788-E1792 WeakPolarHBondContact O-CA 3.32Å; L1788-E1792 WeakPolarHBondContact O-CB 3.47Å; L1788-E1792 VanDerWaalsContact O-CG 3.26Å; L1788-E1792 WeakPolarHBondContact O-CG 3.2Å; L1788-E1792 PolarHBondContact O-N 2.96Å; E1792-Y1794 PolarHBondContact O-N 3.06Å |
| 1793 | A | 55.7 | Low | 60.9 | Low | 76 Ų | 76 | 103.5 Ų | 103.5 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1789 A1791 | N1789-A1793 WeakPolarHBondContact O-CB 3.24Å; A1791-A1793 VanDerWaalsContact C-N 3.29Å |
| 1794 | Y | 53.4 | Low | 60.8 | Low | 141 Ų | 141 | 103.3 Ų | 103.3 | 55% | 0.553 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.9 | 47.2 | -170.7 | -162.7 | -103.8 | 0 | 0 | 0 | 115.6 | E1790 A1791 E1792 K1796 | E1790-Y1794 VanDerWaalsContact O-CB 3.25Å; E1790-Y1794 WeakPolarHBondContact O-CB 3.2Å; A1791-Y1794 CarbonylContact O-C 3.45Å; A1791-Y1794 WeakPolarHBondContact O-CA 3.26Å; A1791-Y1794 PolarHBondContact O-N 2.79Å; E1792-Y1794 PolarHBondContact O-N 3.06Å; Y1794-K1796 PolarHBondContact O-N 2.94Å; Y1794-K1796 VanDerWaalsContact O-N 3.11Å |
| 1795 | M | 54.1 | Low | 61 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 16.3 | 134.6 | -52.5 | -143.1 | -64.9 | 0 | 0 | 120.7 | A1791 T1799 | A1791-M1795 PolarHBondContact O-N 2.99Å; M1795-T1799 PolarHBondContact O-OG1 2.77Å |
| 1796 | K | 53.9 | Low | 61 | Low | 163 Ų | 163 | 103.1 Ų | 103.1 | 71% | 0.709 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -114.6 | -30.4 | -173.9 | -79.4 | -176.3 | 176.5 | -179.5 | 0 | 118.5 | Y1794 | Y1794-K1796 PolarHBondContact O-N 2.94Å; Y1794-K1796 VanDerWaalsContact O-N 3.11Å |
| 1797 | S | 54.1 | Low | 61 | Low | 90 Ų | 90 | 106.4 Ų | 106.4 | 63% | 0.629 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -94.4 | -34.2 | 172.3 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | T1799 K1800 T1801 | S1797-T1799 PolarHBondContact O-N 3.49Å; S1797-K1800 PolarHBondContact O-N 2.95Å; S1797-K1800 VanDerWaalsContact O-N 3.07Å; S1797-T1801 PolarHBondContact O-N 2.83Å |
| 1798 | K | 54.6 | Low | 61.5 | Low | 153 Ų | 153 | 103.5 Ų | 103.5 | 67% | 0.665 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -50.6 | -39.4 | 163.7 | -107.3 | -158 | 167.5 | 163.9 | 0 | 109.7 | K1800 L1802 | K1798-K1800 PolarHBondContact O-N 3.38Å; K1798-L1802 HydrophobicContact CB-CD1 3.55Å; K1798-L1802 HydrophobicContact CD-CD1 3.51Å; K1798-L1802 HydrophobicContact CG-CD1 3.24Å; K1798-L1802 WeakPolarHBondContact O-CA 3.2Å; K1798-L1802 WeakPolarHBondContact O-CB 3.27Å; K1798-L1802 WeakPolarHBondContact O-CD1 3.28Å; K1798-L1802 PolarHBondContact O-N 3.37Å |
| 1799 | T | 55.8 | Low | 62.1 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.2 | -27.5 | -178.5 | -45.5 | 0 | 0 | 0 | 0 | 112.9 | M1795 S1797 T1803 | M1795-T1799 PolarHBondContact O-OG1 2.77Å; S1797-T1799 PolarHBondContact O-N 3.49Å; T1799-T1803 VanDerWaalsContact O-CA 3.26Å; T1799-T1803 WeakPolarHBondContact O-CA 3.41Å; T1799-T1803 WeakPolarHBondContact O-CB 3.15Å; T1799-T1803 PolarHBondContact O-N 2.81Å; T1799-T1803 PolarHBondContact O-OG1 2.79Å |
| 1800 | K | 59.5 | Low | 62.4 | Low | 142 Ų | 142 | 103.8 Ų | 103.8 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -82.2 | -41.5 | 176.9 | -124.2 | 178.7 | -179.5 | -177 | 0 | 112.5 | S1797 K1798 T1803 T1804 | S1797-K1800 PolarHBondContact O-N 2.95Å; S1797-K1800 VanDerWaalsContact O-N 3.07Å; K1798-K1800 PolarHBondContact O-N 3.38Å; K1800-T1803 PolarHBondContact O-N 3.42Å; K1800-T1804 PolarHBondContact O-N 3.11Å; K1800-T1804 PolarHBondContact O-OG1 3.49Å |
| 1801 | T | 62.7 | Low | 62.9 | Low | 94 Ų | 94 | 99 Ų | 99 | 58% | 0.577 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -82.7 | -30.3 | 177.7 | -30.5 | 0 | 0 | 0 | 0 | 112.5 | S1797 M1805 | S1797-T1801 PolarHBondContact O-N 2.83Å; T1801-M1805 WeakPolarHBondContact O-CA 3.49Å; T1801-M1805 WeakPolarHBondContact O-CB 3.35Å; T1801-M1805 VanDerWaalsContact O-CG 3.27Å; T1801-M1805 WeakPolarHBondContact O-CG 3.29Å; T1801-M1805 PolarHBondContact O-N 3.32Å |
| 1802 | L | 63.2 | Low | 63.7 | Low | 47 Ų | 47 | 100.1 Ų | 100.1 | 25% | 0.246 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -74.1 | -27.5 | 161.4 | -76.7 | 108.9 | 0 | 0 | 0 | 112 | K1798 Y1806 | K1798-L1802 HydrophobicContact CB-CD1 3.55Å; K1798-L1802 HydrophobicContact CD-CD1 3.51Å; K1798-L1802 HydrophobicContact CG-CD1 3.24Å; K1798-L1802 WeakPolarHBondContact O-CA 3.2Å; K1798-L1802 WeakPolarHBondContact O-CB 3.27Å; K1798-L1802 WeakPolarHBondContact O-CD1 3.28Å; K1798-L1802 PolarHBondContact O-N 3.37Å; L1802-Y1806 HydrophobicContact CB-CD2 3.67Å; L1802-Y1806 HydrophobicContact CB-CE2 3.67Å; L1802-Y1806 HydrophobicContact CD2-CD2 4.06Å; L1802-Y1806 HydrophobicContact CD2-CE1 4.21Å; L1802-Y1806 HydrophobicContact CD2-CE2 3.27Å; L1802-Y1806 WeakPolarHBondContact CD2-OH 3.29Å; L1802-Y1806 HydrophobicContact CG-CD2 4.49Å; L1802-Y1806 HydrophobicContact CG-CE2 4.09Å; L1802-Y1806 WeakPolarHBondContact O-CA 3.46Å; L1802-Y1806 WeakPolarHBondContact O-CB 3.45Å; L1802-Y1806 WeakPolarHBondContact O-CD2 3.36Å; L1802-Y1806 PolarHBondContact O-N 2.81Å |
| 1803 | T | 66.6 | Low | 64.4 | Low | 54 Ų | 54 | 98.3 Ų | 98.3 | 33% | 0.331 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.3 | -34.8 | 169.5 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | T1799 K1800 Y1806 E1807 | T1799-T1803 VanDerWaalsContact O-CA 3.26Å; T1799-T1803 WeakPolarHBondContact O-CA 3.41Å; T1799-T1803 WeakPolarHBondContact O-CB 3.15Å; T1799-T1803 PolarHBondContact O-N 2.81Å; T1799-T1803 PolarHBondContact O-OG1 2.79Å; K1800-T1803 PolarHBondContact O-N 3.42Å; T1803-Y1806 CarbonylContact O-C 3.59Å; T1803-Y1806 PolarHBondContact O-N 3.44Å; T1803-E1807 HydrophobicContact CG2-CG 3.98Å; T1803-E1807 VanDerWaalsContact CG2-OE1 3.25Å; T1803-E1807 WeakPolarHBondContact CG2-OE1 3.44Å; T1803-E1807 WeakPolarHBondContact O-CA 2.81Å; T1803-E1807 WeakPolarHBondContact O-CB 3.21Å; T1803-E1807 WeakPolarHBondContact O-CG 3.49Å; T1803-E1807 PolarHBondContact O-N 3.4Å |
| 1804 | T | 70.6 | Confident | 65.2 | Low | 85 Ų | 85 | 100.4 Ų | 100.4 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.7 | -32.2 | 172.2 | -40.5 | 0 | 0 | 0 | 0 | 112.6 | K1800 A1808 | K1800-T1804 PolarHBondContact O-N 3.11Å; K1800-T1804 PolarHBondContact O-OG1 3.49Å; T1804-A1808 WeakPolarHBondContact O-CB 3.5Å; T1804-A1808 PolarHBondContact O-N 3.16Å |
| 1805 | M | 70 | Confident | 66.3 | Low | 117 Ų | 117 | 98.7 Ų | 98.7 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -77.7 | -27 | 170.7 | -78.3 | -176 | 69.5 | 0 | 0 | 112.8 | T1801 K1809 | T1801-M1805 WeakPolarHBondContact O-CA 3.49Å; T1801-M1805 WeakPolarHBondContact O-CB 3.35Å; T1801-M1805 VanDerWaalsContact O-CG 3.27Å; T1801-M1805 WeakPolarHBondContact O-CG 3.29Å; T1801-M1805 PolarHBondContact O-N 3.32Å; M1805-K1809 WeakPolarHBondContact O-CA 3.17Å; M1805-K1809 WeakPolarHBondContact O-CB 3.5Å; M1805-K1809 PolarHBondContact O-N 2.92Å |
| 1806 | Y | 68.8 | Low | 67.1 | Low | 130 Ų | 130 | 97.7 Ų | 97.7 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -83.7 | -22.2 | 169.8 | -71 | -48.1 | 0 | 0 | 0 | 110.7 | L1802 T1803 K1809 V1810 | L1802-Y1806 HydrophobicContact CB-CD2 3.67Å; L1802-Y1806 HydrophobicContact CB-CE2 3.67Å; L1802-Y1806 HydrophobicContact CD2-CD2 4.06Å; L1802-Y1806 HydrophobicContact CD2-CE1 4.21Å; L1802-Y1806 HydrophobicContact CD2-CE2 3.27Å; L1802-Y1806 WeakPolarHBondContact CD2-OH 3.29Å; L1802-Y1806 HydrophobicContact CG-CD2 4.49Å; L1802-Y1806 HydrophobicContact CG-CE2 4.09Å; L1802-Y1806 WeakPolarHBondContact O-CA 3.46Å; L1802-Y1806 WeakPolarHBondContact O-CB 3.45Å; L1802-Y1806 WeakPolarHBondContact O-CD2 3.36Å; L1802-Y1806 PolarHBondContact O-N 2.81Å; T1803-Y1806 CarbonylContact O-C 3.59Å; T1803-Y1806 PolarHBondContact O-N 3.44Å; Y1806-K1809 CarbonylContact O-C 3.57Å; Y1806-V1810 VanDerWaalsContact O-CA 3.25Å; Y1806-V1810 WeakPolarHBondContact O-CA 3.43Å; Y1806-V1810 WeakPolarHBondContact O-CB 3.06Å; Y1806-V1810 WeakPolarHBondContact O-CG2 3.15Å; Y1806-V1810 PolarHBondContact O-N 2.79Å |
| 1807 | E | 71.3 | Confident | 67.9 | Low | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -81.3 | -35.7 | 169.3 | -79.4 | 165 | 173.5 | 0 | 0 | 109.1 | T1803 V1810 A1811 | T1803-E1807 HydrophobicContact CG2-CG 3.98Å; T1803-E1807 VanDerWaalsContact CG2-OE1 3.25Å; T1803-E1807 WeakPolarHBondContact CG2-OE1 3.44Å; T1803-E1807 WeakPolarHBondContact O-CA 2.81Å; T1803-E1807 WeakPolarHBondContact O-CB 3.21Å; T1803-E1807 WeakPolarHBondContact O-CG 3.49Å; T1803-E1807 PolarHBondContact O-N 3.4Å; E1807-V1810 PolarHBondContact O-N 2.9Å; E1807-A1811 WeakPolarHBondContact O-CA 3.29Å; E1807-A1811 WeakPolarHBondContact O-CB 3.19Å; E1807-A1811 PolarHBondContact O-N 2.83Å |
| 1808 | A | 75.7 | Confident | 68.8 | Low | 60 Ų | 60 | 92.6 Ų | 92.6 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.1 | -37.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1804 D1812 | T1804-A1808 WeakPolarHBondContact O-CB 3.5Å; T1804-A1808 PolarHBondContact O-N 3.16Å; A1808-D1812 WeakPolarHBondContact O-CA 3.16Å; A1808-D1812 WeakPolarHBondContact O-CB 3.17Å; A1808-D1812 PolarHBondContact O-N 3.31Å |
| 1809 | K | 72.6 | Confident | 69.7 | Low | 120 Ų | 120 | 87.7 Ų | 87.7 | 52% | 0.522 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.3 | -30.1 | 169.2 | -97.1 | 178.5 | 168 | 177.2 | 0 | 111.9 | M1805 Y1806 L1813 | M1805-K1809 WeakPolarHBondContact O-CA 3.17Å; M1805-K1809 WeakPolarHBondContact O-CB 3.5Å; M1805-K1809 PolarHBondContact O-N 2.92Å; Y1806-K1809 CarbonylContact O-C 3.57Å; K1809-L1813 HydrophobicContact CB-CD1 4.41Å; K1809-L1813 VanDerWaalsContact O-CA 3.26Å; K1809-L1813 WeakPolarHBondContact O-CA 3.4Å; K1809-L1813 WeakPolarHBondContact O-CB 3.21Å; K1809-L1813 WeakPolarHBondContact O-CD1 2.91Å; K1809-L1813 WeakPolarHBondContact O-CG 3.47Å; K1809-L1813 PolarHBondContact O-N 3.33Å |
| 1810 | V | 70.5 | Confident | 70.3 | Confident | 69 Ų | 69 | 89.9 Ų | 89.9 | 42% | 0.418 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -77 | -35.4 | 174.9 | 164.3 | 0 | 0 | 0 | 0 | 108.2 | Y1806 E1807 L1813 E1814 | Y1806-V1810 VanDerWaalsContact O-CA 3.25Å; Y1806-V1810 WeakPolarHBondContact O-CA 3.43Å; Y1806-V1810 WeakPolarHBondContact O-CB 3.06Å; Y1806-V1810 WeakPolarHBondContact O-CG2 3.15Å; Y1806-V1810 PolarHBondContact O-N 2.79Å; E1807-V1810 PolarHBondContact O-N 2.9Å; V1810-L1813 CarbonylContact O-C 3.56Å; V1810-L1813 PolarHBondContact O-N 2.8Å; V1810-E1814 HydrophobicContact CG1-CG 3.96Å; V1810-E1814 WeakPolarHBondContact CG1-OE1 3.38Å; V1810-E1814 VanDerWaalsContact O-CA 3.3Å; V1810-E1814 WeakPolarHBondContact O-CA 3.02Å; V1810-E1814 WeakPolarHBondContact O-CB 3.29Å; V1810-E1814 WeakPolarHBondContact O-CG 3.35Å; V1810-E1814 PolarHBondContact O-N 2.91Å |
| 1811 | A | 74.4 | Confident | 70.8 | Confident | 42 Ų | 42 | 85 Ų | 85 | 35% | 0.347 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.3 | -37 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | E1807 N1815 | E1807-A1811 WeakPolarHBondContact O-CA 3.29Å; E1807-A1811 WeakPolarHBondContact O-CB 3.19Å; E1807-A1811 PolarHBondContact O-N 2.83Å; A1811-N1815 WeakPolarHBondContact O-CB 3.2Å; A1811-N1815 VanDerWaalsContact O-CG 3.26Å; A1811-N1815 PolarHBondContact O-N 2.71Å; A1811-N1815 PolarHBondContact O-ND2 3.25Å |
| 1812 | D | 75.3 | Confident | 71.3 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -77.9 | -29.2 | 174.6 | -163.1 | 51 | 0 | 0 | 0 | 111.5 | A1808 K1816 | A1808-D1812 WeakPolarHBondContact O-CA 3.16Å; A1808-D1812 WeakPolarHBondContact O-CB 3.17Å; A1808-D1812 PolarHBondContact O-N 3.31Å; D1812-K1816 WeakPolarHBondContact O-CA 3.3Å; D1812-K1816 WeakPolarHBondContact O-CB 3.35Å; D1812-K1816 WeakPolarHBondContact O-CD 3.31Å; D1812-K1816 WeakPolarHBondContact O-CG 3.4Å; D1812-K1816 PolarHBondContact O-N 2.82Å; D1812-K1816 WeakPolarHBondContact OD2-CE 3.29Å; D1812-K1816 IonicContact OD2-NZ 2.72Å; D1812-K1816 PolarHBondContact OD2-NZ 2.91Å |
| 1813 | L | 70.2 | Confident | 71.7 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.5 | -24.3 | 169.6 | -72.6 | 166.7 | 0 | 0 | 0 | 111.4 | K1809 V1810 I1817 | K1809-L1813 HydrophobicContact CB-CD1 4.41Å; K1809-L1813 VanDerWaalsContact O-CA 3.26Å; K1809-L1813 WeakPolarHBondContact O-CA 3.4Å; K1809-L1813 WeakPolarHBondContact O-CB 3.21Å; K1809-L1813 WeakPolarHBondContact O-CD1 2.91Å; K1809-L1813 WeakPolarHBondContact O-CG 3.47Å; K1809-L1813 PolarHBondContact O-N 3.33Å; V1810-L1813 CarbonylContact O-C 3.56Å; V1810-L1813 PolarHBondContact O-N 2.8Å; L1813-I1817 HydrophobicContact CB-CD1 4.5Å; L1813-I1817 VanDerWaalsContact O-CA 3.3Å; L1813-I1817 WeakPolarHBondContact O-CA 3.29Å; L1813-I1817 WeakPolarHBondContact O-CB 3.37Å; L1813-I1817 VanDerWaalsContact O-CD1 3.26Å; L1813-I1817 WeakPolarHBondContact O-CD1 3.15Å; L1813-I1817 WeakPolarHBondContact O-CG1 3.1Å; L1813-I1817 PolarHBondContact O-N 3.06Å |
| 1814 | E | 72.5 | Confident | 71.9 | Confident | 121 Ų | 121 | 101.4 Ų | 101.4 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -82.7 | -32.9 | 172.3 | -81.8 | 172.4 | 172.2 | 0 | 0 | 109 | V1810 I1817 S1818 | V1810-E1814 HydrophobicContact CG1-CG 3.96Å; V1810-E1814 WeakPolarHBondContact CG1-OE1 3.38Å; V1810-E1814 VanDerWaalsContact O-CA 3.3Å; V1810-E1814 WeakPolarHBondContact O-CA 3.02Å; V1810-E1814 WeakPolarHBondContact O-CB 3.29Å; V1810-E1814 WeakPolarHBondContact O-CG 3.35Å; V1810-E1814 PolarHBondContact O-N 2.91Å; E1814-I1817 CarbonylContact O-C 3.6Å; E1814-S1818 WeakPolarHBondContact O-CA 3.21Å; E1814-S1818 WeakPolarHBondContact O-CB 3.45Å; E1814-S1818 PolarHBondContact O-N 2.78Å |
| 1815 | N | 75.2 | Confident | 72.1 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.5 | -38 | 167 | -80 | -35.7 | 0 | 0 | 0 | 111.1 | A1811 S1818 A1819 | A1811-N1815 WeakPolarHBondContact O-CB 3.2Å; A1811-N1815 VanDerWaalsContact O-CG 3.26Å; A1811-N1815 PolarHBondContact O-N 2.71Å; A1811-N1815 PolarHBondContact O-ND2 3.25Å; N1815-S1818 PolarHBondContact O-N 3.29Å; N1815-A1819 WeakPolarHBondContact O-CA 3.09Å; N1815-A1819 WeakPolarHBondContact O-CB 3.33Å; N1815-A1819 PolarHBondContact O-N 3.13Å |
| 1816 | K | 72.4 | Confident | 72.3 | Confident | 106 Ų | 106 | 98.8 Ų | 98.8 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.6 | -41.2 | 170.6 | -78.2 | 165 | 177.9 | 151.7 | 0 | 111 | D1812 S1818 A1819 E1820 | D1812-K1816 WeakPolarHBondContact O-CA 3.3Å; D1812-K1816 WeakPolarHBondContact O-CB 3.35Å; D1812-K1816 WeakPolarHBondContact O-CD 3.31Å; D1812-K1816 WeakPolarHBondContact O-CG 3.4Å; D1812-K1816 PolarHBondContact O-N 2.82Å; D1812-K1816 WeakPolarHBondContact OD2-CE 3.29Å; D1812-K1816 IonicContact OD2-NZ 2.72Å; D1812-K1816 PolarHBondContact OD2-NZ 2.91Å; K1816-S1818 VanDerWaalsContact C-N 3.33Å; K1816-S1818 PolarHBondContact O-N 2.9Å; K1816-A1819 CarbonylContact O-C 3.35Å; K1816-A1819 PolarHBondContact O-N 2.72Å; K1816-E1820 VanDerWaalsContact O-CA 3.23Å; K1816-E1820 WeakPolarHBondContact O-CA 3.48Å; K1816-E1820 WeakPolarHBondContact O-CB 3.35Å; K1816-E1820 PolarHBondContact O-N 3.09Å |
| 1817 | I | 70.1 | Confident | 72.4 | Confident | 105 Ų | 105 | 97.6 Ų | 97.6 | 54% | 0.538 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.8 | -27.6 | 173.6 | -71.9 | 162.8 | 0 | 0 | 0 | 110.2 | L1813 E1814 E1820 A1821 | L1813-I1817 HydrophobicContact CB-CD1 4.5Å; L1813-I1817 VanDerWaalsContact O-CA 3.3Å; L1813-I1817 WeakPolarHBondContact O-CA 3.29Å; L1813-I1817 WeakPolarHBondContact O-CB 3.37Å; L1813-I1817 VanDerWaalsContact O-CD1 3.26Å; L1813-I1817 WeakPolarHBondContact O-CD1 3.15Å; L1813-I1817 WeakPolarHBondContact O-CG1 3.1Å; L1813-I1817 PolarHBondContact O-N 3.06Å; E1814-I1817 CarbonylContact O-C 3.6Å; I1817-E1820 CarbonylContact O-C 3.38Å; I1817-A1821 VanDerWaalsContact O-CA 3.23Å; I1817-A1821 WeakPolarHBondContact O-CA 3.37Å; I1817-A1821 WeakPolarHBondContact O-CB 3.25Å; I1817-A1821 PolarHBondContact O-N 2.91Å |
| 1818 | S | 72.8 | Confident | 72.3 | Confident | 40 Ų | 40 | 95.5 Ų | 95.5 | 28% | 0.28 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -79 | -35.4 | 172.1 | -180 | 0 | 0 | 0 | 0 | 110.9 | E1814 N1815 K1816 E1820 R1822 | E1814-S1818 WeakPolarHBondContact O-CA 3.21Å; E1814-S1818 WeakPolarHBondContact O-CB 3.45Å; E1814-S1818 PolarHBondContact O-N 2.78Å; N1815-S1818 PolarHBondContact O-N 3.29Å; K1816-S1818 VanDerWaalsContact C-N 3.33Å; K1816-S1818 PolarHBondContact O-N 2.9Å; S1818-E1820 VanDerWaalsContact C-N 3.34Å; S1818-R1822 WeakPolarHBondContact O-CA 3.49Å; S1818-R1822 WeakPolarHBondContact O-CB 3.2Å; S1818-R1822 VanDerWaalsContact O-CG 3.25Å; S1818-R1822 WeakPolarHBondContact O-CG 3.13Å; S1818-R1822 PolarHBondContact O-N 3.36Å; S1818-R1822 PolarHBondContact O-NE 3.13Å; S1818-R1822 PolarHBondContact OG-NH2 2.95Å; S1818-R1822 VanDerWaalsContact OG-NH2 3.12Å |
| 1819 | A | 73.8 | Confident | 72.1 | Confident | 50 Ų | 50 | 101.3 Ų | 101.3 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.7 | -25 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1815 K1816 R1823 | N1815-A1819 WeakPolarHBondContact O-CA 3.09Å; N1815-A1819 WeakPolarHBondContact O-CB 3.33Å; N1815-A1819 PolarHBondContact O-N 3.13Å; K1816-A1819 CarbonylContact O-C 3.35Å; K1816-A1819 PolarHBondContact O-N 2.72Å; A1819-R1823 WeakPolarHBondContact O-CA 3.38Å; A1819-R1823 WeakPolarHBondContact O-CB 3.45Å; A1819-R1823 VanDerWaalsContact O-CG 3.31Å; A1819-R1823 WeakPolarHBondContact O-CG 3.37Å; A1819-R1823 PolarHBondContact O-N 3.17Å |
| 1820 | E | 68.2 | Low | 72.1 | Confident | 120 Ų | 120 | 98.1 Ų | 98.1 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -96.8 | -20.3 | 179 | -166.3 | 157.2 | -163.9 | 0 | 0 | 111.1 | K1816 I1817 S1818 R1823 R1824 | K1816-E1820 VanDerWaalsContact O-CA 3.23Å; K1816-E1820 WeakPolarHBondContact O-CA 3.48Å; K1816-E1820 WeakPolarHBondContact O-CB 3.35Å; K1816-E1820 PolarHBondContact O-N 3.09Å; I1817-E1820 CarbonylContact O-C 3.38Å; S1818-E1820 VanDerWaalsContact C-N 3.34Å; E1820-R1823 CarbonylContact O-C 3.51Å; E1820-R1824 VanDerWaalsContact O-CA 3.28Å; E1820-R1824 WeakPolarHBondContact O-CA 3.35Å; E1820-R1824 WeakPolarHBondContact O-CB 3.24Å; E1820-R1824 VanDerWaalsContact O-CG 3.3Å; E1820-R1824 WeakPolarHBondContact O-CG 3.34Å; E1820-R1824 PolarHBondContact O-N 3.5Å |
| 1821 | A | 70.2 | Confident | 71.9 | Confident | 39 Ų | 39 | 98.8 Ų | 98.8 | 32% | 0.322 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -81.5 | -33.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | I1817 R1824 I1825 | I1817-A1821 VanDerWaalsContact O-CA 3.23Å; I1817-A1821 WeakPolarHBondContact O-CA 3.37Å; I1817-A1821 WeakPolarHBondContact O-CB 3.25Å; I1817-A1821 PolarHBondContact O-N 2.91Å; A1821-R1824 CarbonylContact O-C 3.47Å; A1821-I1825 WeakPolarHBondContact O-CA 3.4Å; A1821-I1825 WeakPolarHBondContact O-CB 3.08Å; A1821-I1825 WeakPolarHBondContact O-CD1 3.21Å; A1821-I1825 WeakPolarHBondContact O-CG1 3.49Å; A1821-I1825 PolarHBondContact O-N 3.22Å |
| 1822 | R | 72.9 | Confident | 71.8 | Confident | 170 Ų | 170 | 103.5 Ų | 103.5 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.4 | -38.1 | 167 | -81.5 | -176.2 | -98 | -160.4 | -5.5 | 111.3 | S1818 I1825 A1826 | S1818-R1822 WeakPolarHBondContact O-CA 3.49Å; S1818-R1822 WeakPolarHBondContact O-CB 3.2Å; S1818-R1822 VanDerWaalsContact O-CG 3.25Å; S1818-R1822 WeakPolarHBondContact O-CG 3.13Å; S1818-R1822 PolarHBondContact O-N 3.36Å; S1818-R1822 PolarHBondContact O-NE 3.13Å; S1818-R1822 PolarHBondContact OG-NH2 2.95Å; S1818-R1822 VanDerWaalsContact OG-NH2 3.12Å; R1822-I1825 PolarHBondContact O-N 3.38Å; R1822-A1826 WeakPolarHBondContact O-CA 3.24Å; R1822-A1826 WeakPolarHBondContact O-CB 3.49Å; R1822-A1826 PolarHBondContact O-N 3.41Å |
| 1823 | R | 72.7 | Confident | 71.5 | Confident | 187 Ų | 187 | 106.7 Ų | 106.7 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.7 | -30 | 168.7 | -85.9 | 179.3 | 175.6 | 168.8 | -0.9 | 111.5 | A1819 E1820 L1827 | A1819-R1823 WeakPolarHBondContact O-CA 3.38Å; A1819-R1823 WeakPolarHBondContact O-CB 3.45Å; A1819-R1823 VanDerWaalsContact O-CG 3.31Å; A1819-R1823 WeakPolarHBondContact O-CG 3.37Å; A1819-R1823 PolarHBondContact O-N 3.17Å; E1820-R1823 CarbonylContact O-C 3.51Å; R1823-L1827 VanDerWaalsContact O-CA 3.26Å; R1823-L1827 WeakPolarHBondContact O-CA 3.2Å; R1823-L1827 WeakPolarHBondContact O-CB 3.37Å; R1823-L1827 WeakPolarHBondContact O-CD1 3.44Å; R1823-L1827 VanDerWaalsContact O-CG 3.23Å; R1823-L1827 WeakPolarHBondContact O-CG 3.48Å; R1823-L1827 PolarHBondContact O-N 3.12Å |
| 1824 | R | 70.9 | Confident | 71.5 | Confident | 183 Ų | 183 | 104.8 Ų | 104.8 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.6 | -31.8 | 169.6 | -94.8 | 179.2 | 152.3 | -175 | -4.4 | 111.1 | E1820 A1821 T1828 | E1820-R1824 VanDerWaalsContact O-CA 3.28Å; E1820-R1824 WeakPolarHBondContact O-CA 3.35Å; E1820-R1824 WeakPolarHBondContact O-CB 3.24Å; E1820-R1824 VanDerWaalsContact O-CG 3.3Å; E1820-R1824 WeakPolarHBondContact O-CG 3.34Å; E1820-R1824 PolarHBondContact O-N 3.5Å; A1821-R1824 CarbonylContact O-C 3.47Å; R1824-T1828 VanDerWaalsContact O-CA 3.3Å; R1824-T1828 WeakPolarHBondContact O-CA 3.48Å; R1824-T1828 WeakPolarHBondContact O-CB 3.49Å; R1824-T1828 PolarHBondContact O-N 2.79Å; R1824-T1828 PolarHBondContact O-OG1 3.46Å |
| 1825 | I | 73.7 | Confident | 71.2 | Confident | 91 Ų | 91 | 103.9 Ų | 103.9 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -76.9 | -34.9 | 174.5 | -71.4 | 162.7 | 0 | 0 | 0 | 108.5 | A1821 R1822 R1829 | A1821-I1825 WeakPolarHBondContact O-CA 3.4Å; A1821-I1825 WeakPolarHBondContact O-CB 3.08Å; A1821-I1825 WeakPolarHBondContact O-CD1 3.21Å; A1821-I1825 WeakPolarHBondContact O-CG1 3.49Å; A1821-I1825 PolarHBondContact O-N 3.22Å; R1822-I1825 PolarHBondContact O-N 3.38Å; I1825-R1829 HydrophobicContact CG2-CG 4.44Å; I1825-R1829 WeakPolarHBondContact O-CA 3.5Å; I1825-R1829 WeakPolarHBondContact O-CB 3.47Å; I1825-R1829 WeakPolarHBondContact O-CG 3.46Å; I1825-R1829 PolarHBondContact O-N 3.18Å |
| 1826 | A | 73.5 | Confident | 71.1 | Confident | 56 Ų | 56 | 105.6 Ų | 105.6 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.3 | -37.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | R1822 R1829 A1830 | R1822-A1826 WeakPolarHBondContact O-CA 3.24Å; R1822-A1826 WeakPolarHBondContact O-CB 3.49Å; R1822-A1826 PolarHBondContact O-N 3.41Å; A1826-R1829 CarbonylContact O-C 3.31Å; A1826-A1830 WeakPolarHBondContact O-CA 3.34Å; A1826-A1830 WeakPolarHBondContact O-CB 3.36Å; A1826-A1830 PolarHBondContact O-N 2.72Å |
| 1827 | L | 72.2 | Confident | 71 | Confident | 105 Ų | 105 | 108.4 Ų | 108.4 | 55% | 0.55 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.7 | -46.4 | 171.4 | -85.3 | 156.8 | 0 | 0 | 0 | 109.1 | R1823 R1829 A1830 L1831 | R1823-L1827 VanDerWaalsContact O-CA 3.26Å; R1823-L1827 WeakPolarHBondContact O-CA 3.2Å; R1823-L1827 WeakPolarHBondContact O-CB 3.37Å; R1823-L1827 WeakPolarHBondContact O-CD1 3.44Å; R1823-L1827 VanDerWaalsContact O-CG 3.23Å; R1823-L1827 WeakPolarHBondContact O-CG 3.48Å; R1823-L1827 PolarHBondContact O-N 3.12Å; L1827-R1829 VanDerWaalsContact C-N 3.28Å; L1827-R1829 PolarHBondContact O-N 3.39Å; L1827-A1830 CarbonylContact O-C 3.55Å; L1827-A1830 PolarHBondContact O-N 3.3Å; L1827-A1830 VanDerWaalsContact O-N 3.15Å; L1827-L1831 WeakPolarHBondContact O-CA 3.44Å; L1827-L1831 WeakPolarHBondContact O-CB 3.47Å; L1827-L1831 PolarHBondContact O-N 3.44Å |
| 1828 | T | 69.6 | Low | 70.9 | Confident | 72 Ų | 72 | 108.7 Ų | 108.7 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -27.5 | 173.9 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | R1824 K1832 | R1824-T1828 VanDerWaalsContact O-CA 3.3Å; R1824-T1828 WeakPolarHBondContact O-CA 3.48Å; R1824-T1828 WeakPolarHBondContact O-CB 3.49Å; R1824-T1828 PolarHBondContact O-N 2.79Å; R1824-T1828 PolarHBondContact O-OG1 3.46Å; T1828-K1832 HydrophobicContact CG2-CG 4.43Å; T1828-K1832 WeakPolarHBondContact O-CA 3.15Å; T1828-K1832 WeakPolarHBondContact O-CB 3.39Å; T1828-K1832 WeakPolarHBondContact O-CG 3.4Å; T1828-K1832 PolarHBondContact O-N 3.28Å |
| 1829 | R | 71.1 | Confident | 70.8 | Confident | 183 Ų | 183 | 110.7 Ų | 110.7 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.3 | -35.9 | 168.4 | -78.9 | 176 | -177.1 | 176.8 | 1.8 | 112.1 | I1825 A1826 L1827 L1831 K1833 | I1825-R1829 HydrophobicContact CG2-CG 4.44Å; I1825-R1829 WeakPolarHBondContact O-CA 3.5Å; I1825-R1829 WeakPolarHBondContact O-CB 3.47Å; I1825-R1829 WeakPolarHBondContact O-CG 3.46Å; I1825-R1829 PolarHBondContact O-N 3.18Å; A1826-R1829 CarbonylContact O-C 3.31Å; L1827-R1829 VanDerWaalsContact C-N 3.28Å; L1827-R1829 PolarHBondContact O-N 3.39Å; R1829-L1831 VanDerWaalsContact C-N 3.34Å; R1829-K1833 WeakPolarHBondContact O-CA 3.31Å; R1829-K1833 WeakPolarHBondContact O-CB 3.23Å; R1829-K1833 PolarHBondContact O-N 3.12Å |
| 1830 | A | 71.5 | Confident | 70.7 | Confident | 53 Ų | 53 | 111.5 Ų | 111.5 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -76.3 | -25.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1826 L1827 K1833 S1834 | A1826-A1830 WeakPolarHBondContact O-CA 3.34Å; A1826-A1830 WeakPolarHBondContact O-CB 3.36Å; A1826-A1830 PolarHBondContact O-N 2.72Å; L1827-A1830 CarbonylContact O-C 3.55Å; L1827-A1830 PolarHBondContact O-N 3.3Å; L1827-A1830 VanDerWaalsContact O-N 3.15Å; A1830-K1833 CarbonylContact O-C 3.59Å; A1830-S1834 WeakPolarHBondContact O-CA 3.46Å; A1830-S1834 WeakPolarHBondContact O-CB 3.49Å; A1830-S1834 PolarHBondContact O-N 3.45Å; A1830-S1834 PolarHBondContact O-OG 3.26Å |
| 1831 | L | 68 | Low | 70.9 | Confident | 82 Ų | 82 | 111.7 Ų | 111.7 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -93.3 | -31.4 | 179.5 | -161.8 | 135 | 0 | 0 | 0 | 109.1 | L1827 R1829 S1834 E1835 | L1827-L1831 WeakPolarHBondContact O-CA 3.44Å; L1827-L1831 WeakPolarHBondContact O-CB 3.47Å; L1827-L1831 PolarHBondContact O-N 3.44Å; R1829-L1831 VanDerWaalsContact C-N 3.34Å; L1831-S1834 WeakPolarHBondContact CA-OG 3.4Å; L1831-S1834 CarbonylContact O-C 3.33Å; L1831-S1834 PolarHBondContact O-N 3.42Å; L1831-S1834 PolarHBondContact O-OG 2.94Å; L1831-E1835 HydrophobicContact CD2-CG 4.12Å; L1831-E1835 VanDerWaalsContact O-CA 3.31Å; L1831-E1835 WeakPolarHBondContact O-CA 3.46Å; L1831-E1835 WeakPolarHBondContact O-CB 3.49Å; L1831-E1835 WeakPolarHBondContact O-CG 3.46Å; L1831-E1835 PolarHBondContact O-N 2.78Å |
| 1832 | K | 70.7 | Confident | 70.8 | Confident | 141 Ų | 141 | 112.5 Ų | 112.5 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.9 | -32.5 | 157.7 | -79.8 | -175.3 | 173.3 | -172.3 | 0 | 111.8 | T1828 K1836 | T1828-K1832 HydrophobicContact CG2-CG 4.43Å; T1828-K1832 WeakPolarHBondContact O-CA 3.15Å; T1828-K1832 WeakPolarHBondContact O-CB 3.39Å; T1828-K1832 WeakPolarHBondContact O-CG 3.4Å; T1828-K1832 PolarHBondContact O-N 3.28Å; K1832-K1836 WeakPolarHBondContact O-CA 3.42Å; K1832-K1836 WeakPolarHBondContact O-CB 3.01Å; K1832-K1836 PolarHBondContact O-N 3.3Å |
| 1833 | K | 70.6 | Confident | 70.7 | Confident | 143 Ų | 143 | 109.6 Ų | 109.6 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.6 | -34 | 170.2 | -105.3 | -176.9 | 171.3 | -178.7 | 0 | 111.2 | R1829 A1830 R1837 | R1829-K1833 WeakPolarHBondContact O-CA 3.31Å; R1829-K1833 WeakPolarHBondContact O-CB 3.23Å; R1829-K1833 PolarHBondContact O-N 3.12Å; A1830-K1833 CarbonylContact O-C 3.59Å; K1833-R1837 WeakPolarHBondContact O-CA 3.28Å; K1833-R1837 WeakPolarHBondContact O-CB 3.27Å; K1833-R1837 WeakPolarHBondContact O-CG 3.31Å; K1833-R1837 PolarHBondContact O-N 3.24Å |
| 1834 | S | 69.6 | Low | 70.6 | Confident | 48 Ų | 48 | 106.1 Ų | 106.1 | 34% | 0.336 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -82.9 | -31 | 178.5 | 80.4 | 0 | 0 | 0 | 0 | 111.4 | A1830 L1831 R1837 L1838 | A1830-S1834 WeakPolarHBondContact O-CA 3.46Å; A1830-S1834 WeakPolarHBondContact O-CB 3.49Å; A1830-S1834 PolarHBondContact O-N 3.45Å; A1830-S1834 PolarHBondContact O-OG 3.26Å; L1831-S1834 WeakPolarHBondContact CA-OG 3.4Å; L1831-S1834 CarbonylContact O-C 3.33Å; L1831-S1834 PolarHBondContact O-N 3.42Å; L1831-S1834 PolarHBondContact O-OG 2.94Å; S1834-R1837 CarbonylContact O-C 3.57Å; S1834-L1838 WeakPolarHBondContact O-CA 3.35Å; S1834-L1838 WeakPolarHBondContact O-CB 3.33Å; S1834-L1838 WeakPolarHBondContact O-CG 3.42Å; S1834-L1838 PolarHBondContact O-N 2.82Å |
| 1835 | E | 65.6 | Low | 70.6 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.5 | -44 | 168.9 | -80.6 | 176.3 | 157.8 | 0 | 0 | 108.9 | L1831 R1837 L1838 V1839 | L1831-E1835 HydrophobicContact CD2-CG 4.12Å; L1831-E1835 VanDerWaalsContact O-CA 3.31Å; L1831-E1835 WeakPolarHBondContact O-CA 3.46Å; L1831-E1835 WeakPolarHBondContact O-CB 3.49Å; L1831-E1835 WeakPolarHBondContact O-CG 3.46Å; L1831-E1835 PolarHBondContact O-N 2.78Å; E1835-R1837 VanDerWaalsContact C-N 3.31Å; E1835-R1837 PolarHBondContact O-N 2.85Å; E1835-L1838 CarbonylContact O-C 3.59Å; E1835-L1838 PolarHBondContact O-N 3.4Å; E1835-V1839 WeakPolarHBondContact O-CA 3.19Å; E1835-V1839 WeakPolarHBondContact O-CB 3.27Å; E1835-V1839 WeakPolarHBondContact O-CG2 3.45Å; E1835-V1839 PolarHBondContact O-N 3.27Å |
| 1836 | K | 73.1 | Confident | 70.4 | Confident | 141 Ų | 141 | 103.5 Ų | 103.5 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 170.8 | -167.3 | 178.6 | -179.1 | -174.8 | 0 | 110.1 | K1832 D1840 | K1832-K1836 WeakPolarHBondContact O-CA 3.42Å; K1832-K1836 WeakPolarHBondContact O-CB 3.01Å; K1832-K1836 PolarHBondContact O-N 3.3Å; K1836-D1840 WeakPolarHBondContact O-CA 3.48Å; K1836-D1840 WeakPolarHBondContact O-CB 3.07Å; K1836-D1840 PolarHBondContact O-N 2.84Å |
| 1837 | R | 70.7 | Confident | 70.4 | Confident | 165 Ų | 165 | 106.3 Ų | 106.3 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.5 | -27.8 | 171.2 | -79.7 | 175.2 | -179.7 | -176.2 | -3.5 | 113.5 | K1833 S1834 E1835 M1841 | K1833-R1837 WeakPolarHBondContact O-CA 3.28Å; K1833-R1837 WeakPolarHBondContact O-CB 3.27Å; K1833-R1837 WeakPolarHBondContact O-CG 3.31Å; K1833-R1837 PolarHBondContact O-N 3.24Å; S1834-R1837 CarbonylContact O-C 3.57Å; E1835-R1837 VanDerWaalsContact C-N 3.31Å; E1835-R1837 PolarHBondContact O-N 2.85Å; R1837-M1841 VanDerWaalsContact O-CA 3.31Å; R1837-M1841 WeakPolarHBondContact O-CA 3.26Å; R1837-M1841 WeakPolarHBondContact O-CB 3.43Å; R1837-M1841 PolarHBondContact O-N 2.93Å |
| 1838 | L | 67.8 | Low | 70.3 | Confident | 112 Ų | 112 | 107.2 Ų | 107.2 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -83.5 | -30.5 | 176.9 | -101.8 | 158.8 | 0 | 0 | 0 | 110.7 | S1834 E1835 S1842 | S1834-L1838 WeakPolarHBondContact O-CA 3.35Å; S1834-L1838 WeakPolarHBondContact O-CB 3.33Å; S1834-L1838 WeakPolarHBondContact O-CG 3.42Å; S1834-L1838 PolarHBondContact O-N 2.82Å; E1835-L1838 CarbonylContact O-C 3.59Å; E1835-L1838 PolarHBondContact O-N 3.4Å; L1838-S1842 VanDerWaalsContact O-CA 3.27Å; L1838-S1842 WeakPolarHBondContact O-CA 3.46Å; L1838-S1842 WeakPolarHBondContact O-CB 3.27Å; L1838-S1842 PolarHBondContact O-N 3.04Å |
| 1839 | V | 71.6 | Confident | 70.4 | Confident | 81 Ų | 81 | 111.4 Ų | 111.4 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -76.8 | -37.4 | 171.4 | 170 | 0 | 0 | 0 | 0 | 108.4 | E1835 M1843 | E1835-V1839 WeakPolarHBondContact O-CA 3.19Å; E1835-V1839 WeakPolarHBondContact O-CB 3.27Å; E1835-V1839 WeakPolarHBondContact O-CG2 3.45Å; E1835-V1839 PolarHBondContact O-N 3.27Å; V1839-M1843 HydrophobicContact CG1-CE 4.02Å; V1839-M1843 WeakPolarHBondContact O-CA 3.44Å; V1839-M1843 WeakPolarHBondContact O-CB 3.49Å; V1839-M1843 VanDerWaalsContact O-CG 3.28Å; V1839-M1843 WeakPolarHBondContact O-CG 3.31Å; V1839-M1843 PolarHBondContact O-N 3.26Å |
| 1840 | D | 71.5 | Confident | 70.4 | Confident | 68 Ų | 68 | 111 Ų | 111 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.4 | -32.2 | 171.3 | -67.1 | -16 | 0 | 0 | 0 | 110.9 | K1836 K1844 | K1836-D1840 WeakPolarHBondContact O-CA 3.48Å; K1836-D1840 WeakPolarHBondContact O-CB 3.07Å; K1836-D1840 PolarHBondContact O-N 2.84Å; D1840-K1844 WeakPolarHBondContact O-CA 3.43Å; D1840-K1844 WeakPolarHBondContact O-CB 3.41Å; D1840-K1844 WeakPolarHBondContact O-CG 3.27Å; D1840-K1844 PolarHBondContact O-N 3.42Å |
| 1841 | M | 71.4 | Confident | 70.4 | Confident | 124 Ų | 124 | 113.7 Ų | 113.7 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77 | -32.7 | 171.1 | -107 | 163.3 | 132.8 | 0 | 0 | 111.1 | R1837 K1844 L1845 | R1837-M1841 VanDerWaalsContact O-CA 3.31Å; R1837-M1841 WeakPolarHBondContact O-CA 3.26Å; R1837-M1841 WeakPolarHBondContact O-CB 3.43Å; R1837-M1841 PolarHBondContact O-N 2.93Å; M1841-K1844 CarbonylContact O-C 3.53Å; M1841-L1845 WeakPolarHBondContact O-CA 3.19Å; M1841-L1845 WeakPolarHBondContact O-CB 3.36Å; M1841-L1845 PolarHBondContact O-N 2.78Å |
| 1842 | S | 67.4 | Low | 70.6 | Confident | 56 Ų | 56 | 116.5 Ų | 116.5 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.8 | -37.5 | 175.1 | -171 | 0 | 0 | 0 | 0 | 109.2 | L1838 L1845 E1846 | L1838-S1842 VanDerWaalsContact O-CA 3.27Å; L1838-S1842 WeakPolarHBondContact O-CA 3.46Å; L1838-S1842 WeakPolarHBondContact O-CB 3.27Å; L1838-S1842 PolarHBondContact O-N 3.04Å; S1842-L1845 CarbonylContact O-C 3.47Å; S1842-L1845 PolarHBondContact O-N 3.39Å; S1842-E1846 WeakPolarHBondContact O-CA 3.47Å; S1842-E1846 VanDerWaalsContact O-CB 3.24Å; S1842-E1846 WeakPolarHBondContact O-CB 3.44Å; S1842-E1846 PolarHBondContact O-N 3.49Å |
| 1843 | M | 71.6 | Confident | 70.7 | Confident | 108 Ų | 108 | 115.3 Ų | 115.3 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.4 | -34.7 | 169 | -79.1 | -156.2 | -76.8 | 0 | 0 | 110.9 | V1839 E1846 E1847 | V1839-M1843 HydrophobicContact CG1-CE 4.02Å; V1839-M1843 WeakPolarHBondContact O-CA 3.44Å; V1839-M1843 WeakPolarHBondContact O-CB 3.49Å; V1839-M1843 VanDerWaalsContact O-CG 3.28Å; V1839-M1843 WeakPolarHBondContact O-CG 3.31Å; V1839-M1843 PolarHBondContact O-N 3.26Å; M1843-E1846 CarbonylContact O-C 3.56Å; M1843-E1847 WeakPolarHBondContact O-CA 3.36Å; M1843-E1847 WeakPolarHBondContact O-CB 3.17Å; M1843-E1847 WeakPolarHBondContact O-CG 3.34Å; M1843-E1847 PolarHBondContact O-N 3.29Å |
| 1844 | K | 70.7 | Confident | 70.8 | Confident | 115 Ų | 115 | 113.6 Ų | 113.6 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.3 | -26.4 | 169.1 | -81.1 | 179.7 | 174.6 | -172 | 0 | 112.6 | D1840 M1841 E1848 | D1840-K1844 WeakPolarHBondContact O-CA 3.43Å; D1840-K1844 WeakPolarHBondContact O-CB 3.41Å; D1840-K1844 WeakPolarHBondContact O-CG 3.27Å; D1840-K1844 PolarHBondContact O-N 3.42Å; M1841-K1844 CarbonylContact O-C 3.53Å; K1844-E1848 VanDerWaalsContact O-CA 3.32Å; K1844-E1848 WeakPolarHBondContact O-CA 3.35Å; K1844-E1848 WeakPolarHBondContact O-CB 3.38Å; K1844-E1848 VanDerWaalsContact O-CG 3.24Å; K1844-E1848 WeakPolarHBondContact O-CG 3.32Å; K1844-E1848 PolarHBondContact O-N 3.31Å |
| 1845 | L | 70.9 | Confident | 70.9 | Confident | 105 Ų | 105 | 115 Ų | 115 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -81.2 | -34.8 | 172.2 | -106.3 | 141.4 | 0 | 0 | 0 | 109.9 | M1841 S1842 R1849 | M1841-L1845 WeakPolarHBondContact O-CA 3.19Å; M1841-L1845 WeakPolarHBondContact O-CB 3.36Å; M1841-L1845 PolarHBondContact O-N 2.78Å; S1842-L1845 CarbonylContact O-C 3.47Å; S1842-L1845 PolarHBondContact O-N 3.39Å; L1845-R1849 WeakPolarHBondContact O-CA 3.29Å; L1845-R1849 WeakPolarHBondContact O-CB 3.32Å; L1845-R1849 PolarHBondContact O-N 2.87Å |
| 1846 | E | 68.7 | Low | 71.3 | Confident | 113 Ų | 113 | 116.6 Ų | 116.6 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.1 | -34.5 | 171.7 | -131.8 | 87.7 | -151.8 | 0 | 0 | 109.7 | S1842 M1843 R1850 | S1842-E1846 WeakPolarHBondContact O-CA 3.47Å; S1842-E1846 VanDerWaalsContact O-CB 3.24Å; S1842-E1846 WeakPolarHBondContact O-CB 3.44Å; S1842-E1846 PolarHBondContact O-N 3.49Å; M1843-E1846 CarbonylContact O-C 3.56Å; E1846-R1850 WeakPolarHBondContact O-CA 3.41Å; E1846-R1850 WeakPolarHBondContact O-CB 3.06Å; E1846-R1850 VanDerWaalsContact O-CG 3.26Å; E1846-R1850 WeakPolarHBondContact O-CG 3.5Å; E1846-R1850 PolarHBondContact O-N 2.7Å |
| 1847 | E | 73.1 | Confident | 71.3 | Confident | 116 Ų | 116 | 116.3 Ų | 116.3 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -78.7 | -35.9 | 172.6 | -85.1 | -174.6 | 145.7 | 0 | 0 | 111.5 | M1843 R1850 Q1851 | M1843-E1847 WeakPolarHBondContact O-CA 3.36Å; M1843-E1847 WeakPolarHBondContact O-CB 3.17Å; M1843-E1847 WeakPolarHBondContact O-CG 3.34Å; M1843-E1847 PolarHBondContact O-N 3.29Å; E1847-R1850 CarbonylContact O-C 3.27Å; E1847-Q1851 WeakPolarHBondContact O-CA 3.48Å; E1847-Q1851 WeakPolarHBondContact O-CB 3.39Å; E1847-Q1851 WeakPolarHBondContact O-CG 3.32Å; E1847-Q1851 PolarHBondContact O-N 2.88Å |
| 1848 | E | 71.2 | Confident | 71.4 | Confident | 124 Ų | 124 | 114.2 Ų | 114.2 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.9 | -31.6 | 172.2 | -87.9 | -170.2 | 158.1 | 0 | 0 | 110.2 | K1844 Q1851 Q1852 | K1844-E1848 VanDerWaalsContact O-CA 3.32Å; K1844-E1848 WeakPolarHBondContact O-CA 3.35Å; K1844-E1848 WeakPolarHBondContact O-CB 3.38Å; K1844-E1848 VanDerWaalsContact O-CG 3.24Å; K1844-E1848 WeakPolarHBondContact O-CG 3.32Å; K1844-E1848 PolarHBondContact O-N 3.31Å; E1848-Q1851 CarbonylContact O-C 3.59Å; E1848-Q1852 WeakPolarHBondContact O-CA 3.12Å; E1848-Q1852 WeakPolarHBondContact O-CB 3.34Å; E1848-Q1852 WeakPolarHBondContact O-CG 3.32Å; E1848-Q1852 PolarHBondContact O-N 3.04Å |
| 1849 | R | 71.9 | Confident | 71.7 | Confident | 159 Ų | 159 | 112.5 Ų | 112.5 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -79.5 | -36.8 | 174.5 | -164.4 | 178.8 | -168.5 | 177.2 | 4.4 | 110.7 | L1845 Q1852 E1853 | L1845-R1849 WeakPolarHBondContact O-CA 3.29Å; L1845-R1849 WeakPolarHBondContact O-CB 3.32Å; L1845-R1849 PolarHBondContact O-N 2.87Å; R1849-Q1852 PolarHBondContact O-N 3.44Å; R1849-E1853 VanDerWaalsContact O-CB 3.24Å; R1849-E1853 WeakPolarHBondContact O-CB 3.26Å; R1849-E1853 PolarHBondContact O-N 2.77Å |
| 1850 | R | 70.3 | Confident | 71.8 | Confident | 174 Ų | 174 | 114.2 Ų | 114.2 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.6 | -37.4 | 165.4 | -87.4 | -177.2 | 165.5 | 168.2 | -1.8 | 111.2 | E1846 E1847 Q1854 | E1846-R1850 WeakPolarHBondContact O-CA 3.41Å; E1846-R1850 WeakPolarHBondContact O-CB 3.06Å; E1846-R1850 VanDerWaalsContact O-CG 3.26Å; E1846-R1850 WeakPolarHBondContact O-CG 3.5Å; E1846-R1850 PolarHBondContact O-N 2.7Å; E1847-R1850 CarbonylContact O-C 3.27Å; R1850-Q1854 WeakPolarHBondContact O-CA 3.23Å; R1850-Q1854 WeakPolarHBondContact O-CB 3.23Å; R1850-Q1854 PolarHBondContact O-N 3.48Å |
| 1851 | Q | 71.6 | Confident | 71.9 | Confident | 111 Ų | 111 | 113.4 Ų | 113.4 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.6 | -29.9 | 174.4 | -78.8 | 174.6 | 8.6 | 0 | 0 | 110.1 | E1847 E1848 V1855 | E1847-Q1851 WeakPolarHBondContact O-CA 3.48Å; E1847-Q1851 WeakPolarHBondContact O-CB 3.39Å; E1847-Q1851 WeakPolarHBondContact O-CG 3.32Å; E1847-Q1851 PolarHBondContact O-N 2.88Å; E1848-Q1851 CarbonylContact O-C 3.59Å; Q1851-V1855 VanDerWaalsContact O-CA 3.32Å; Q1851-V1855 WeakPolarHBondContact O-CA 3.4Å; Q1851-V1855 WeakPolarHBondContact O-CB 3.46Å; Q1851-V1855 WeakPolarHBondContact O-CG2 3.38Å; Q1851-V1855 PolarHBondContact O-N 2.77Å |
| 1852 | Q | 73.5 | Confident | 71.9 | Confident | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.5 | -36.8 | 172.8 | -91.5 | -173 | -12.3 | 0 | 0 | 111.2 | E1848 R1849 K1856 | E1848-Q1852 WeakPolarHBondContact O-CA 3.12Å; E1848-Q1852 WeakPolarHBondContact O-CB 3.34Å; E1848-Q1852 WeakPolarHBondContact O-CG 3.32Å; E1848-Q1852 PolarHBondContact O-N 3.04Å; R1849-Q1852 PolarHBondContact O-N 3.44Å; Q1852-K1856 WeakPolarHBondContact O-CA 3.14Å; Q1852-K1856 WeakPolarHBondContact O-CB 3.15Å; Q1852-K1856 PolarHBondContact O-N 3.4Å |
| 1853 | E | 72 | Confident | 72.2 | Confident | 116 Ų | 116 | 116.2 Ų | 116.2 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.6 | -38.9 | 171.9 | -87.5 | 178.4 | 163.8 | 0 | 0 | 110.7 | R1849 K1856 E1857 | R1849-E1853 VanDerWaalsContact O-CB 3.24Å; R1849-E1853 WeakPolarHBondContact O-CB 3.26Å; R1849-E1853 PolarHBondContact O-N 2.77Å; E1853-K1856 CarbonylContact O-C 3.44Å; E1853-K1856 WeakPolarHBondContact O-CB 3.08Å; E1853-K1856 PolarHBondContact O-N 3.05Å; E1853-E1857 WeakPolarHBondContact O-CA 3.45Å; E1853-E1857 VanDerWaalsContact O-CB 3.24Å; E1853-E1857 WeakPolarHBondContact O-CB 3.21Å; E1853-E1857 WeakPolarHBondContact O-CG 3.2Å; E1853-E1857 PolarHBondContact O-N 2.94Å |
| 1854 | Q | 72.8 | Confident | 72.2 | Confident | 107 Ų | 107 | 116 Ų | 116 | 50% | 0.5 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -76.9 | -30.5 | 176.6 | -166.6 | 172.8 | 40.9 | 0 | 0 | 111 | R1850 E1858 | R1850-Q1854 WeakPolarHBondContact O-CA 3.23Å; R1850-Q1854 WeakPolarHBondContact O-CB 3.23Å; R1850-Q1854 PolarHBondContact O-N 3.48Å; Q1854-E1858 WeakPolarHBondContact O-CA 3.47Å; Q1854-E1858 WeakPolarHBondContact O-CB 3.33Å; Q1854-E1858 WeakPolarHBondContact O-CG 3.4Å; Q1854-E1858 PolarHBondContact O-N 3.15Å |
| 1855 | V | 72.6 | Confident | 72.2 | Confident | 79 Ų | 79 | 119.1 Ų | 119.1 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.2 | -30 | 166.9 | 171 | 0 | 0 | 0 | 0 | 109.6 | Q1851 T1859 | Q1851-V1855 VanDerWaalsContact O-CA 3.32Å; Q1851-V1855 WeakPolarHBondContact O-CA 3.4Å; Q1851-V1855 WeakPolarHBondContact O-CB 3.46Å; Q1851-V1855 WeakPolarHBondContact O-CG2 3.38Å; Q1851-V1855 PolarHBondContact O-N 2.77Å; V1855-T1859 HydrophobicContact CG1-CG2 4.05Å; V1855-T1859 WeakPolarHBondContact O-CA 3.27Å; V1855-T1859 WeakPolarHBondContact O-CB 3.16Å; V1855-T1859 WeakPolarHBondContact O-CG2 3.32Å; V1855-T1859 PolarHBondContact O-N 3.41Å; V1855-T1859 PolarHBondContact O-OG1 3.41Å |
| 1856 | K | 73.6 | Confident | 72.3 | Confident | 135 Ų | 135 | 118 Ų | 118 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.1 | -44.3 | 169.8 | -110 | -174.7 | 167.3 | -172.8 | 0 | 110.9 | Q1852 E1853 T1859 E1860 | Q1852-K1856 WeakPolarHBondContact O-CA 3.14Å; Q1852-K1856 WeakPolarHBondContact O-CB 3.15Å; Q1852-K1856 PolarHBondContact O-N 3.4Å; E1853-K1856 CarbonylContact O-C 3.44Å; E1853-K1856 WeakPolarHBondContact O-CB 3.08Å; E1853-K1856 PolarHBondContact O-N 3.05Å; K1856-T1859 VanDerWaalsContact CA-OG1 3.31Å; K1856-T1859 WeakPolarHBondContact CA-OG1 3.37Å; K1856-T1859 CarbonylContact O-C 3.52Å; K1856-T1859 PolarHBondContact O-N 3.31Å; K1856-T1859 PolarHBondContact O-OG1 3Å; K1856-T1859 VanDerWaalsContact O-OG1 3.13Å; K1856-E1860 WeakPolarHBondContact O-CA 3.44Å; K1856-E1860 WeakPolarHBondContact O-CB 3.45Å; K1856-E1860 VanDerWaalsContact O-CG 3.28Å; K1856-E1860 WeakPolarHBondContact O-CG 3.49Å; K1856-E1860 PolarHBondContact O-N 3.15Å |
| 1857 | E | 73.4 | Confident | 72.5 | Confident | 134 Ų | 134 | 119 Ų | 119 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71 | -36.7 | 175.9 | -80.8 | -173.4 | 159.4 | 0 | 0 | 110.3 | E1853 A1861 | E1853-E1857 WeakPolarHBondContact O-CA 3.45Å; E1853-E1857 VanDerWaalsContact O-CB 3.24Å; E1853-E1857 WeakPolarHBondContact O-CB 3.21Å; E1853-E1857 WeakPolarHBondContact O-CG 3.2Å; E1853-E1857 PolarHBondContact O-N 2.94Å; E1857-A1861 VanDerWaalsContact O-CA 3.29Å; E1857-A1861 WeakPolarHBondContact O-CA 3.37Å; E1857-A1861 WeakPolarHBondContact O-CB 3.33Å; E1857-A1861 PolarHBondContact O-N 3.28Å |
| 1858 | E | 71.4 | Confident | 72.5 | Confident | 121 Ų | 121 | 118.2 Ų | 118.2 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.1 | -31.4 | 172.5 | -79.4 | -176.9 | 171.5 | 0 | 0 | 110.7 | Q1854 M1862 | Q1854-E1858 WeakPolarHBondContact O-CA 3.47Å; Q1854-E1858 WeakPolarHBondContact O-CB 3.33Å; Q1854-E1858 WeakPolarHBondContact O-CG 3.4Å; Q1854-E1858 PolarHBondContact O-N 3.15Å; E1858-M1862 VanDerWaalsContact O-CA 3.24Å; E1858-M1862 WeakPolarHBondContact O-CA 3.38Å; E1858-M1862 WeakPolarHBondContact O-CB 3.5Å; E1858-M1862 PolarHBondContact O-N 2.83Å |
| 1859 | T | 73.9 | Confident | 72.4 | Confident | 77 Ų | 77 | 117.9 Ų | 117.9 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.8 | -33 | 172.6 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | V1855 K1856 H1863 | V1855-T1859 HydrophobicContact CG1-CG2 4.05Å; V1855-T1859 WeakPolarHBondContact O-CA 3.27Å; V1855-T1859 WeakPolarHBondContact O-CB 3.16Å; V1855-T1859 WeakPolarHBondContact O-CG2 3.32Å; V1855-T1859 PolarHBondContact O-N 3.41Å; V1855-T1859 PolarHBondContact O-OG1 3.41Å; K1856-T1859 VanDerWaalsContact CA-OG1 3.31Å; K1856-T1859 WeakPolarHBondContact CA-OG1 3.37Å; K1856-T1859 CarbonylContact O-C 3.52Å; K1856-T1859 PolarHBondContact O-N 3.31Å; K1856-T1859 PolarHBondContact O-OG1 3Å; K1856-T1859 VanDerWaalsContact O-OG1 3.13Å; T1859-H1863 WeakPolarHBondContact O-CA 3.36Å; T1859-H1863 WeakPolarHBondContact O-CB 3.3Å; T1859-H1863 PolarHBondContact O-N 3.35Å |
| 1860 | E | 75.1 | Confident | 72.4 | Confident | 117 Ų | 117 | 116.9 Ų | 116.9 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.3 | -38.2 | 172.6 | -78.1 | -176.9 | -177.5 | 0 | 0 | 110.7 | K1856 H1863 N1864 | K1856-E1860 WeakPolarHBondContact O-CA 3.44Å; K1856-E1860 WeakPolarHBondContact O-CB 3.45Å; K1856-E1860 VanDerWaalsContact O-CG 3.28Å; K1856-E1860 WeakPolarHBondContact O-CG 3.49Å; K1856-E1860 PolarHBondContact O-N 3.15Å; E1860-H1863 PolarHBondContact O-N 2.82Å; E1860-N1864 WeakPolarHBondContact O-CA 3.26Å; E1860-N1864 WeakPolarHBondContact O-CB 3.43Å; E1860-N1864 PolarHBondContact O-N 3.49Å; E1860-N1864 PolarHBondContact O-ND2 3.24Å |
| 1861 | A | 72.7 | Confident | 72.6 | Confident | 51 Ų | 51 | 114.9 Ų | 114.9 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.3 | -32.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1857 R1865 | E1857-A1861 VanDerWaalsContact O-CA 3.29Å; E1857-A1861 WeakPolarHBondContact O-CA 3.37Å; E1857-A1861 WeakPolarHBondContact O-CB 3.33Å; E1857-A1861 PolarHBondContact O-N 3.28Å; A1861-R1865 WeakPolarHBondContact O-CA 3.46Å; A1861-R1865 WeakPolarHBondContact O-CB 3.48Å; A1861-R1865 VanDerWaalsContact O-CG 3.3Å; A1861-R1865 WeakPolarHBondContact O-CG 3.41Å; A1861-R1865 PolarHBondContact O-N 3.45Å |
| 1862 | M | 70.9 | Confident | 72.6 | Confident | 125 Ų | 125 | 117.3 Ų | 117.3 | 62% | 0.616 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -75.6 | -34.9 | 170 | -161.2 | -153.8 | -76 | 0 | 0 | 109.5 | E1858 R1865 L1866 | E1858-M1862 VanDerWaalsContact O-CA 3.24Å; E1858-M1862 WeakPolarHBondContact O-CA 3.38Å; E1858-M1862 WeakPolarHBondContact O-CB 3.5Å; E1858-M1862 PolarHBondContact O-N 2.83Å; M1862-R1865 CarbonylContact O-C 3.59Å; M1862-R1865 PolarHBondContact O-N 2.88Å; M1862-L1866 WeakPolarHBondContact O-CA 3.48Å; M1862-L1866 WeakPolarHBondContact O-CB 2.98Å; M1862-L1866 PolarHBondContact O-N 3.39Å |
| 1863 | H | 73.8 | Confident | 72.6 | Confident | 114 Ų | 114 | 116.1 Ų | 116.1 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.1 | -36.4 | 173.9 | -162.9 | 90.4 | 0 | 0 | 0 | 111 | T1859 E1860 L1866 K1867 | T1859-H1863 WeakPolarHBondContact O-CA 3.36Å; T1859-H1863 WeakPolarHBondContact O-CB 3.3Å; T1859-H1863 PolarHBondContact O-N 3.35Å; E1860-H1863 PolarHBondContact O-N 2.82Å; H1863-L1866 PolarHBondContact O-N 3.5Å; H1863-K1867 WeakPolarHBondContact O-CB 3.49Å; H1863-K1867 PolarHBondContact O-N 2.79Å |
| 1864 | N | 71.8 | Confident | 72.7 | Confident | 102 Ų | 102 | 113.2 Ų | 113.2 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.6 | -40.1 | 170.6 | -76.8 | -28.7 | 0 | 0 | 0 | 111.2 | E1860 L1866 K1867 L1868 | E1860-N1864 WeakPolarHBondContact O-CA 3.26Å; E1860-N1864 WeakPolarHBondContact O-CB 3.43Å; E1860-N1864 PolarHBondContact O-N 3.49Å; E1860-N1864 PolarHBondContact O-ND2 3.24Å; N1864-L1866 VanDerWaalsContact C-N 3.33Å; N1864-K1867 PolarHBondContact O-N 3.11Å; N1864-L1868 WeakPolarHBondContact O-CB 3.4Å; N1864-L1868 PolarHBondContact O-N 3.3Å |
| 1865 | R | 72.1 | Confident | 72.9 | Confident | 182 Ų | 182 | 113 Ų | 113 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.5 | -29.5 | 171.1 | -87.5 | -178.7 | 173.2 | 168.8 | 0.6 | 112 | A1861 M1862 L1868 M1869 | A1861-R1865 WeakPolarHBondContact O-CA 3.46Å; A1861-R1865 WeakPolarHBondContact O-CB 3.48Å; A1861-R1865 VanDerWaalsContact O-CG 3.3Å; A1861-R1865 WeakPolarHBondContact O-CG 3.41Å; A1861-R1865 PolarHBondContact O-N 3.45Å; M1862-R1865 CarbonylContact O-C 3.59Å; M1862-R1865 PolarHBondContact O-N 2.88Å; R1865-L1868 CarbonylContact O-C 3.6Å; R1865-L1868 PolarHBondContact O-N 3.17Å; R1865-M1869 WeakPolarHBondContact O-CA 3.11Å; R1865-M1869 WeakPolarHBondContact O-CB 3.16Å; R1865-M1869 WeakPolarHBondContact O-CG 3.2Å; R1865-M1869 PolarHBondContact O-N 3.35Å |
| 1866 | L | 71.1 | Confident | 73 | Confident | 82 Ų | 82 | 114.2 Ų | 114.2 | 43% | 0.429 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -82.8 | -30.6 | 178.8 | -159.4 | 141.3 | 0 | 0 | 0 | 109.6 | M1862 H1863 N1864 K1870 | M1862-L1866 WeakPolarHBondContact O-CA 3.48Å; M1862-L1866 WeakPolarHBondContact O-CB 2.98Å; M1862-L1866 PolarHBondContact O-N 3.39Å; H1863-L1866 PolarHBondContact O-N 3.5Å; N1864-L1866 VanDerWaalsContact C-N 3.33Å; L1866-K1870 HydrophobicContact CD2-CD 4.13Å; L1866-K1870 HydrophobicContact CD2-CG 4.45Å; L1866-K1870 WeakPolarHBondContact O-CA 3.43Å; L1866-K1870 WeakPolarHBondContact O-CB 3.32Å; L1866-K1870 WeakPolarHBondContact O-CG 3.38Å; L1866-K1870 PolarHBondContact O-N 3.38Å |
| 1867 | K | 73 | Confident | 73 | Confident | 133 Ų | 133 | 112.4 Ų | 112.4 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 161.8 | -93.5 | -177.8 | 175.3 | 173.8 | 0 | 111.7 | H1863 N1864 K1870 K1871 | H1863-K1867 WeakPolarHBondContact O-CB 3.49Å; H1863-K1867 PolarHBondContact O-N 2.79Å; N1864-K1867 PolarHBondContact O-N 3.11Å; K1867-K1870 PolarHBondContact O-N 3.03Å; K1867-K1871 VanDerWaalsContact O-CB 3.29Å; K1867-K1871 WeakPolarHBondContact O-CB 3.35Å; K1867-K1871 PolarHBondContact O-N 3.18Å |
| 1868 | L | 73 | Confident | 73.1 | Confident | 100 Ų | 100 | 111.4 Ų | 111.4 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.3 | -34.5 | 179.5 | -156.8 | 87.2 | 0 | 0 | 0 | 111.6 | N1864 R1865 K1871 R1872 | N1864-L1868 WeakPolarHBondContact O-CB 3.4Å; N1864-L1868 PolarHBondContact O-N 3.3Å; R1865-L1868 CarbonylContact O-C 3.6Å; R1865-L1868 PolarHBondContact O-N 3.17Å; L1868-K1871 PolarHBondContact O-N 2.85Å; L1868-R1872 VanDerWaalsContact O-CB 3.25Å; L1868-R1872 WeakPolarHBondContact O-CB 3.35Å; L1868-R1872 WeakPolarHBondContact O-CG 3.41Å; L1868-R1872 PolarHBondContact O-N 2.88Å |
| 1869 | M | 69.9 | Low | 73.3 | Confident | 117 Ų | 117 | 110.8 Ų | 110.8 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.4 | -36.3 | 172.4 | -81.1 | -85.1 | -169.2 | 0 | 0 | 110.4 | R1865 K1871 R1872 M1873 | R1865-M1869 WeakPolarHBondContact O-CA 3.11Å; R1865-M1869 WeakPolarHBondContact O-CB 3.16Å; R1865-M1869 WeakPolarHBondContact O-CG 3.2Å; R1865-M1869 PolarHBondContact O-N 3.35Å; M1869-K1871 VanDerWaalsContact C-N 3.33Å; M1869-R1872 PolarHBondContact O-N 3.43Å; M1869-M1873 WeakPolarHBondContact O-CA 3.49Å; M1869-M1873 WeakPolarHBondContact O-CB 3.46Å; M1869-M1873 VanDerWaalsContact O-CG 3.22Å; M1869-M1873 WeakPolarHBondContact O-CG 3.28Å; M1869-M1873 PolarHBondContact O-N 2.78Å |
| 1870 | K | 72.4 | Confident | 73.3 | Confident | 138 Ų | 138 | 110.1 Ų | 110.1 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 169.1 | -83.7 | -179.1 | 174.8 | -178.3 | 0 | 111.1 | L1866 K1867 A1874 | L1866-K1870 HydrophobicContact CD2-CD 4.13Å; L1866-K1870 HydrophobicContact CD2-CG 4.45Å; L1866-K1870 WeakPolarHBondContact O-CA 3.43Å; L1866-K1870 WeakPolarHBondContact O-CB 3.32Å; L1866-K1870 WeakPolarHBondContact O-CG 3.38Å; L1866-K1870 PolarHBondContact O-N 3.38Å; K1867-K1870 PolarHBondContact O-N 3.03Å; K1870-A1874 VanDerWaalsContact O-CB 3.23Å; K1870-A1874 WeakPolarHBondContact O-CB 3.47Å; K1870-A1874 PolarHBondContact O-N 2.78Å |
| 1871 | K | 74.7 | Confident | 73.4 | Confident | 131 Ų | 131 | 109.5 Ų | 109.5 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.9 | -43.6 | 174.4 | -166.7 | -178.1 | 177.9 | -171.2 | 0 | 111.3 | K1867 L1868 M1869 A1874 E1875 | K1867-K1871 VanDerWaalsContact O-CB 3.29Å; K1867-K1871 WeakPolarHBondContact O-CB 3.35Å; K1867-K1871 PolarHBondContact O-N 3.18Å; L1868-K1871 PolarHBondContact O-N 2.85Å; M1869-K1871 VanDerWaalsContact C-N 3.33Å; K1871-A1874 PolarHBondContact O-N 3.42Å; K1871-E1875 WeakPolarHBondContact CE-OE1 3.27Å; K1871-E1875 WeakPolarHBondContact O-CB 3.38Å; K1871-E1875 WeakPolarHBondContact O-CG 3.22Å; K1871-E1875 PolarHBondContact O-N 2.81Å |
| 1872 | R | 70.8 | Confident | 73.6 | Confident | 163 Ų | 163 | 113.9 Ų | 113.9 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.6 | -38.2 | 174.2 | -84.2 | -172.7 | 175.2 | -175.8 | -0.6 | 112.3 | L1868 M1869 E1875 N1876 | L1868-R1872 VanDerWaalsContact O-CB 3.25Å; L1868-R1872 WeakPolarHBondContact O-CB 3.35Å; L1868-R1872 WeakPolarHBondContact O-CG 3.41Å; L1868-R1872 PolarHBondContact O-N 2.88Å; M1869-R1872 PolarHBondContact O-N 3.43Å; R1872-E1875 CarbonylContact O-C 3.55Å; R1872-E1875 PolarHBondContact O-N 2.95Å; R1872-N1876 WeakPolarHBondContact O-CB 3.29Å; R1872-N1876 PolarHBondContact O-N 3.31Å |
| 1873 | M | 73 | Confident | 73.8 | Confident | 114 Ų | 114 | 112.7 Ų | 112.7 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.3 | -38.5 | 173.3 | -76.5 | -144.8 | -52 | 0 | 0 | 110.1 | M1869 E1875 N1876 D1877 | M1869-M1873 WeakPolarHBondContact O-CA 3.49Å; M1869-M1873 WeakPolarHBondContact O-CB 3.46Å; M1869-M1873 VanDerWaalsContact O-CG 3.22Å; M1869-M1873 WeakPolarHBondContact O-CG 3.28Å; M1869-M1873 PolarHBondContact O-N 2.78Å; M1873-E1875 VanDerWaalsContact C-N 3.34Å; M1873-E1875 PolarHBondContact O-N 2.82Å; M1873-N1876 CarbonylContact O-C 3.58Å; M1873-N1876 PolarHBondContact O-N 3.39Å; M1873-D1877 WeakPolarHBondContact O-CA 3.41Å; M1873-D1877 WeakPolarHBondContact O-CB 3.14Å; M1873-D1877 PolarHBondContact O-N 3.3Å |
| 1874 | A | 75.6 | Confident | 73.8 | Confident | 56 Ų | 56 | 111.3 Ų | 111.3 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | K1870 K1871 E1878 | K1870-A1874 VanDerWaalsContact O-CB 3.23Å; K1870-A1874 WeakPolarHBondContact O-CB 3.47Å; K1870-A1874 PolarHBondContact O-N 2.78Å; K1871-A1874 PolarHBondContact O-N 3.42Å; A1874-E1878 WeakPolarHBondContact O-CB 3.36Å; A1874-E1878 PolarHBondContact O-N 2.84Å |
| 1875 | E | 75.7 | Confident | 74.1 | Confident | 103 Ų | 103 | 113.3 Ų | 113.3 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -38.5 | 173.4 | -74.8 | 168.4 | -176.3 | 0 | 0 | 111.7 | K1871 R1872 M1873 E1878 E1879 | K1871-E1875 WeakPolarHBondContact CE-OE1 3.27Å; K1871-E1875 WeakPolarHBondContact O-CB 3.38Å; K1871-E1875 WeakPolarHBondContact O-CG 3.22Å; K1871-E1875 PolarHBondContact O-N 2.81Å; R1872-E1875 CarbonylContact O-C 3.55Å; R1872-E1875 PolarHBondContact O-N 2.95Å; M1873-E1875 VanDerWaalsContact C-N 3.34Å; M1873-E1875 PolarHBondContact O-N 2.82Å; E1875-E1878 PolarHBondContact O-N 3.12Å; E1875-E1879 VanDerWaalsContact O-CB 3.25Å; E1875-E1879 WeakPolarHBondContact O-CB 3.21Å; E1875-E1879 PolarHBondContact O-N 3.4Å |
| 1876 | N | 74.1 | Confident | 74.3 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77.5 | -30.1 | 179.1 | -137.4 | 30.9 | 0 | 0 | 0 | 112 | R1872 M1873 E1879 T1880 | R1872-N1876 WeakPolarHBondContact O-CB 3.29Å; R1872-N1876 PolarHBondContact O-N 3.31Å; M1873-N1876 CarbonylContact O-C 3.58Å; M1873-N1876 PolarHBondContact O-N 3.39Å; N1876-E1879 PolarHBondContact O-N 2.81Å; N1876-T1880 WeakPolarHBondContact O-CB 3.4Å; N1876-T1880 PolarHBondContact O-N 3.18Å; N1876-T1880 PolarHBondContact O-OG1 2.86Å |
| 1877 | D | 74.8 | Confident | 74.4 | Confident | 96 Ų | 96 | 112.5 Ų | 112.5 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 170.6 | -74.8 | -14.6 | 0 | 0 | 0 | 108.9 | M1873 E1879 T1880 D1881 | M1873-D1877 WeakPolarHBondContact O-CA 3.41Å; M1873-D1877 WeakPolarHBondContact O-CB 3.14Å; M1873-D1877 PolarHBondContact O-N 3.3Å; D1877-E1879 VanDerWaalsContact C-N 3.33Å; D1877-E1879 PolarHBondContact O-N 2.91Å; D1877-T1880 VanDerWaalsContact CA-OG1 3.27Å; D1877-T1880 WeakPolarHBondContact CA-OG1 3.18Å; D1877-T1880 PolarHBondContact O-N 2.95Å; D1877-T1880 PolarHBondContact O-OG1 3.2Å; D1877-D1881 VanDerWaalsContact O-CB 3.3Å; D1877-D1881 WeakPolarHBondContact O-CB 3.35Å; D1877-D1881 PolarHBondContact O-N 2.88Å |
| 1878 | E | 75.9 | Confident | 74.5 | Confident | 113 Ų | 113 | 114 Ų | 114 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 168.9 | -95.1 | -162.6 | -168.9 | 0 | 0 | 112.1 | A1874 E1875 R1882 | A1874-E1878 WeakPolarHBondContact O-CB 3.36Å; A1874-E1878 PolarHBondContact O-N 2.84Å; E1875-E1878 PolarHBondContact O-N 3.12Å; E1878-R1882 WeakPolarHBondContact O-CB 2.93Å; E1878-R1882 VanDerWaalsContact O-CG 3.22Å; E1878-R1882 WeakPolarHBondContact O-CG 3.22Å; E1878-R1882 PolarHBondContact O-N 2.88Å; E1878-R1882 IonicContact OE2-CZ 3.85Å; E1878-R1882 IonicContact OE2-NH2 2.88Å; E1878-R1882 PolarHBondContact OE2-NH2 3.35Å |
| 1879 | E | 75.1 | Confident | 74.7 | Confident | 109 Ų | 109 | 115.8 Ų | 115.8 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75 | -35.9 | -179.9 | -164.9 | 142 | -146.4 | 0 | 0 | 111.7 | E1875 N1876 D1877 R1882 I1883 | E1875-E1879 VanDerWaalsContact O-CB 3.25Å; E1875-E1879 WeakPolarHBondContact O-CB 3.21Å; E1875-E1879 PolarHBondContact O-N 3.4Å; N1876-E1879 PolarHBondContact O-N 2.81Å; D1877-E1879 VanDerWaalsContact C-N 3.33Å; D1877-E1879 PolarHBondContact O-N 2.91Å; E1879-R1882 CarbonylContact O-C 3.48Å; E1879-R1882 PolarHBondContact O-N 3.37Å; E1879-I1883 HydrophobicContact CG-CD1 4.24Å; E1879-I1883 WeakPolarHBondContact O-CB 3.29Å; E1879-I1883 WeakPolarHBondContact O-CG1 3.5Å; E1879-I1883 PolarHBondContact O-N 2.95Å |
| 1880 | T | 74.8 | Confident | 74.9 | Confident | 62 Ų | 62 | 116.8 Ų | 116.8 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70 | -35.6 | 170.4 | 38 | 0 | 0 | 0 | 0 | 111.6 | N1876 D1877 I1883 L1884 | N1876-T1880 WeakPolarHBondContact O-CB 3.4Å; N1876-T1880 PolarHBondContact O-N 3.18Å; N1876-T1880 PolarHBondContact O-OG1 2.86Å; D1877-T1880 VanDerWaalsContact CA-OG1 3.27Å; D1877-T1880 WeakPolarHBondContact CA-OG1 3.18Å; D1877-T1880 PolarHBondContact O-N 2.95Å; D1877-T1880 PolarHBondContact O-OG1 3.2Å; T1880-I1883 CarbonylContact O-C 3.59Å; T1880-I1883 PolarHBondContact O-N 2.85Å; T1880-L1884 VanDerWaalsContact O-CB 3.24Å; T1880-L1884 WeakPolarHBondContact O-CB 3.46Å; T1880-L1884 PolarHBondContact O-N 3.23Å |
| 1881 | D | 75.6 | Confident | 74.9 | Confident | 104 Ų | 104 | 115.4 Ų | 115.4 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 170.4 | -93.4 | -13.9 | 0 | 0 | 0 | 111.4 | D1877 L1884 Q1885 | D1877-D1881 VanDerWaalsContact O-CB 3.3Å; D1877-D1881 WeakPolarHBondContact O-CB 3.35Å; D1877-D1881 PolarHBondContact O-N 2.88Å; D1881-L1884 PolarHBondContact O-N 2.93Å; D1881-Q1885 WeakPolarHBondContact O-CB 3.45Å; D1881-Q1885 WeakPolarHBondContact O-CG 3.38Å; D1881-Q1885 PolarHBondContact O-N 2.82Å |
| 1882 | R | 77 | Confident | 75 | Confident | 143 Ų | 143 | 117.7 Ų | 117.7 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 171.8 | -74.4 | 173.9 | -158.7 | -173.7 | 9.9 | 111.9 | E1878 E1879 R1886 | E1878-R1882 WeakPolarHBondContact O-CB 2.93Å; E1878-R1882 VanDerWaalsContact O-CG 3.22Å; E1878-R1882 WeakPolarHBondContact O-CG 3.22Å; E1878-R1882 PolarHBondContact O-N 2.88Å; E1878-R1882 IonicContact OE2-CZ 3.85Å; E1878-R1882 IonicContact OE2-NH2 2.88Å; E1878-R1882 PolarHBondContact OE2-NH2 3.35Å; E1879-R1882 CarbonylContact O-C 3.48Å; E1879-R1882 PolarHBondContact O-N 3.37Å; R1882-R1886 WeakPolarHBondContact O-CB 3.3Å; R1882-R1886 WeakPolarHBondContact O-CG 3.47Å; R1882-R1886 PolarHBondContact O-N 2.82Å |
| 1883 | I | 75.8 | Confident | 75.3 | Confident | 100 Ų | 100 | 113.8 Ų | 113.8 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 176.4 | -69.6 | 165.4 | 0 | 0 | 0 | 110.6 | E1879 T1880 R1886 S1887 | E1879-I1883 HydrophobicContact CG-CD1 4.24Å; E1879-I1883 WeakPolarHBondContact O-CB 3.29Å; E1879-I1883 WeakPolarHBondContact O-CG1 3.5Å; E1879-I1883 PolarHBondContact O-N 2.95Å; T1880-I1883 CarbonylContact O-C 3.59Å; T1880-I1883 PolarHBondContact O-N 2.85Å; I1883-R1886 CarbonylContact O-C 3.6Å; I1883-R1886 PolarHBondContact O-N 3.06Å; I1883-S1887 WeakPolarHBondContact O-CA 3.49Å; I1883-S1887 WeakPolarHBondContact O-CB 3.29Å; I1883-S1887 PolarHBondContact O-N 3.22Å |
| 1884 | L | 74.6 | Confident | 75.4 | Confident | 86 Ų | 86 | 112.6 Ų | 112.6 | 45% | 0.45 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 173.7 | -100.4 | 148.2 | 0 | 0 | 0 | 111.1 | T1880 D1881 S1887 R1888 | T1880-L1884 VanDerWaalsContact O-CB 3.24Å; T1880-L1884 WeakPolarHBondContact O-CB 3.46Å; T1880-L1884 PolarHBondContact O-N 3.23Å; D1881-L1884 PolarHBondContact O-N 2.93Å; L1884-S1887 PolarHBondContact O-N 2.95Å; L1884-R1888 VanDerWaalsContact O-CB 3.28Å; L1884-R1888 WeakPolarHBondContact O-CB 3.32Å; L1884-R1888 VanDerWaalsContact O-CG 3.27Å; L1884-R1888 WeakPolarHBondContact O-CG 3.09Å; L1884-R1888 PolarHBondContact O-N 2.89Å |
| 1885 | Q | 77.3 | Confident | 75.5 | Confident | 144 Ų | 144 | 115.3 Ų | 115.3 | 67% | 0.673 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 171.1 | -79.9 | -174.3 | -0 | 0 | 0 | 111.7 | D1881 K1889 | D1881-Q1885 WeakPolarHBondContact O-CB 3.45Å; D1881-Q1885 WeakPolarHBondContact O-CG 3.38Å; D1881-Q1885 PolarHBondContact O-N 2.82Å; Q1885-K1889 WeakPolarHBondContact O-CB 3.48Å; Q1885-K1889 PolarHBondContact O-N 2.81Å |
| 1886 | R | 76.3 | Confident | 75.7 | Confident | 186 Ų | 186 | 116.5 Ų | 116.5 | 70% | 0.702 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -38.5 | 174.3 | -82.2 | -177.3 | 176.6 | 173.5 | 0.3 | 112.4 | R1882 I1883 K1889 F1890 | R1882-R1886 WeakPolarHBondContact O-CB 3.3Å; R1882-R1886 WeakPolarHBondContact O-CG 3.47Å; R1882-R1886 PolarHBondContact O-N 2.82Å; I1883-R1886 CarbonylContact O-C 3.6Å; I1883-R1886 PolarHBondContact O-N 3.06Å; R1886-K1889 PolarHBondContact O-N 3.44Å; R1886-F1890 WeakPolarHBondContact O-CB 3.43Å; R1886-F1890 PolarHBondContact O-N 2.86Å |
| 1887 | S | 72.5 | Confident | 75.8 | Confident | 61 Ų | 61 | 117.2 Ų | 117.2 | 43% | 0.427 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | I1883 L1884 K1889 F1890 Q1891 | I1883-S1887 WeakPolarHBondContact O-CA 3.49Å; I1883-S1887 WeakPolarHBondContact O-CB 3.29Å; I1883-S1887 PolarHBondContact O-N 3.22Å; L1884-S1887 PolarHBondContact O-N 2.95Å; S1887-K1889 VanDerWaalsContact C-N 3.29Å; S1887-K1889 PolarHBondContact O-N 2.88Å; S1887-F1890 CarbonylContact O-C 3.44Å; S1887-F1890 PolarHBondContact O-N 2.78Å; S1887-Q1891 WeakPolarHBondContact O-CB 3.38Å; S1887-Q1891 PolarHBondContact O-N 3.5Å |
| 1888 | R | 74.9 | Confident | 76 | Confident | 164 Ų | 164 | 118.4 Ų | 118.4 | 62% | 0.619 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.7 | -35.1 | 170.8 | -76.5 | 178.2 | -179.2 | -179.2 | 3 | 112.3 | L1884 R1892 | L1884-R1888 VanDerWaalsContact O-CB 3.28Å; L1884-R1888 WeakPolarHBondContact O-CB 3.32Å; L1884-R1888 VanDerWaalsContact O-CG 3.27Å; L1884-R1888 WeakPolarHBondContact O-CG 3.09Å; L1884-R1888 PolarHBondContact O-N 2.89Å; R1888-R1892 WeakPolarHBondContact O-CB 3.42Å; R1888-R1892 WeakPolarHBondContact O-CG 3.26Å; R1888-R1892 PolarHBondContact O-N 3.22Å |
| 1889 | K | 77.2 | Confident | 76.1 | Confident | 137 Ų | 137 | 120 Ų | 120 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.5 | -45.1 | 175.2 | -158.1 | -176.1 | -178.9 | -166.1 | 0 | 111.5 | Q1885 R1886 S1887 Q1891 R1892 E1893 | Q1885-K1889 WeakPolarHBondContact O-CB 3.48Å; Q1885-K1889 PolarHBondContact O-N 2.81Å; R1886-K1889 PolarHBondContact O-N 3.44Å; S1887-K1889 VanDerWaalsContact C-N 3.29Å; S1887-K1889 PolarHBondContact O-N 2.88Å; K1889-Q1891 VanDerWaalsContact C-N 3.33Å; K1889-Q1891 PolarHBondContact O-N 3.37Å; K1889-R1892 PolarHBondContact O-N 3.39Å; K1889-E1893 PolarHBondContact O-N 2.89Å |
| 1890 | F | 74.3 | Confident | 76.3 | Confident | 138 Ų | 138 | 118.4 Ų | 118.4 | 61% | 0.605 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65 | -35.8 | 173.1 | -97.3 | -60.7 | 0 | 0 | 0 | 112.4 | R1886 S1887 E1893 V1894 | R1886-F1890 WeakPolarHBondContact O-CB 3.43Å; R1886-F1890 PolarHBondContact O-N 2.86Å; S1887-F1890 CarbonylContact O-C 3.44Å; S1887-F1890 PolarHBondContact O-N 2.78Å; F1890-E1893 CarbonylContact O-C 3.52Å; F1890-E1893 PolarHBondContact O-N 2.85Å; F1890-V1894 WeakPolarHBondContact O-CB 3.2Å; F1890-V1894 WeakPolarHBondContact O-CG2 3.35Å; F1890-V1894 PolarHBondContact O-N 2.85Å |
| 1891 | Q | 73.4 | Confident | 76.5 | Confident | 110 Ų | 110 | 120 Ų | 120 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.9 | -38.4 | 177.3 | -166.5 | 168.3 | 6.2 | 0 | 0 | 110.6 | S1887 K1889 V1894 E1895 | S1887-Q1891 WeakPolarHBondContact O-CB 3.38Å; S1887-Q1891 PolarHBondContact O-N 3.5Å; K1889-Q1891 VanDerWaalsContact C-N 3.33Å; K1889-Q1891 PolarHBondContact O-N 3.37Å; Q1891-V1894 PolarHBondContact O-N 3.29Å; Q1891-E1895 WeakPolarHBondContact O-CB 3.37Å; Q1891-E1895 WeakPolarHBondContact O-CG 3.49Å; Q1891-E1895 PolarHBondContact O-N 2.99Å |
| 1892 | R | 77.2 | Confident | 76.6 | Confident | 178 Ų | 178 | 120 Ų | 120 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.1 | -42 | 168.6 | -77 | -179.4 | -174.6 | 171.3 | 1.4 | 112.7 | R1888 K1889 V1894 E1895 E1896 | R1888-R1892 WeakPolarHBondContact O-CB 3.42Å; R1888-R1892 WeakPolarHBondContact O-CG 3.26Å; R1888-R1892 PolarHBondContact O-N 3.22Å; K1889-R1892 PolarHBondContact O-N 3.39Å; R1892-V1894 VanDerWaalsContact C-N 3.31Å; R1892-V1894 PolarHBondContact O-N 3.02Å; R1892-E1895 PolarHBondContact O-N 2.91Å; R1892-E1896 WeakPolarHBondContact O-CB 3.46Å; R1892-E1896 WeakPolarHBondContact O-CG 3.34Å; R1892-E1896 PolarHBondContact O-N 3.46Å |
| 1893 | E | 77.2 | Confident | 76.6 | Confident | 82 Ų | 82 | 115.9 Ų | 115.9 | 38% | 0.383 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 175.1 | -78.4 | 174.9 | -172.9 | 0 | 0 | 111.6 | K1889 F1890 L1897 | K1889-E1893 PolarHBondContact O-N 2.89Å; F1890-E1893 CarbonylContact O-C 3.52Å; F1890-E1893 PolarHBondContact O-N 2.85Å; E1893-L1897 VanDerWaalsContact O-CB 3.24Å; E1893-L1897 WeakPolarHBondContact O-CB 3.47Å; E1893-L1897 WeakPolarHBondContact O-CG 3.33Å; E1893-L1897 PolarHBondContact O-N 3.32Å |
| 1894 | V | 73.7 | Confident | 76.8 | Confident | 88 Ų | 88 | 114.7 Ų | 114.7 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.8 | -40.3 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 111 | F1890 Q1891 R1892 L1897 H1898 | F1890-V1894 WeakPolarHBondContact O-CB 3.2Å; F1890-V1894 WeakPolarHBondContact O-CG2 3.35Å; F1890-V1894 PolarHBondContact O-N 2.85Å; Q1891-V1894 PolarHBondContact O-N 3.29Å; R1892-V1894 VanDerWaalsContact C-N 3.31Å; R1892-V1894 PolarHBondContact O-N 3.02Å; V1894-L1897 CarbonylContact O-C 3.57Å; V1894-L1897 PolarHBondContact O-N 3.21Å; V1894-H1898 VanDerWaalsContact O-CB 3.24Å; V1894-H1898 WeakPolarHBondContact O-CB 3.42Å; V1894-H1898 PolarHBondContact O-N 3.45Å |
| 1895 | E | 77.2 | Confident | 76.8 | Confident | 114 Ų | 114 | 114.6 Ų | 114.6 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 173.7 | -77.9 | 171.8 | -177.4 | 0 | 0 | 111.4 | Q1891 R1892 H1898 E1899 | Q1891-E1895 WeakPolarHBondContact O-CB 3.37Å; Q1891-E1895 WeakPolarHBondContact O-CG 3.49Å; Q1891-E1895 PolarHBondContact O-N 2.99Å; R1892-E1895 PolarHBondContact O-N 2.91Å; E1895-H1898 PolarHBondContact O-N 2.8Å; E1895-E1899 PolarHBondContact O-N 2.93Å |
| 1896 | E | 80 | Confident | 76.9 | Confident | 127 Ų | 127 | 114.6 Ų | 114.6 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 172.6 | -80 | -178 | 174.6 | 0 | 0 | 111.3 | R1892 H1898 E1899 V1900 | R1892-E1896 WeakPolarHBondContact O-CB 3.46Å; R1892-E1896 WeakPolarHBondContact O-CG 3.34Å; R1892-E1896 PolarHBondContact O-N 3.46Å; E1896-H1898 VanDerWaalsContact C-N 3.29Å; E1896-H1898 PolarHBondContact O-N 2.81Å; E1896-E1899 PolarHBondContact O-N 3.18Å; E1896-V1900 WeakPolarHBondContact O-CB 3.23Å; E1896-V1900 WeakPolarHBondContact O-CG2 3.41Å; E1896-V1900 PolarHBondContact O-N 2.83Å |
| 1897 | L | 77.2 | Confident | 76.9 | Confident | 119 Ų | 119 | 111 Ų | 111 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -32.6 | 174.3 | -76 | 171.1 | 0 | 0 | 0 | 111.9 | E1893 V1894 N1901 | E1893-L1897 VanDerWaalsContact O-CB 3.24Å; E1893-L1897 WeakPolarHBondContact O-CB 3.47Å; E1893-L1897 WeakPolarHBondContact O-CG 3.33Å; E1893-L1897 PolarHBondContact O-N 3.32Å; V1894-L1897 CarbonylContact O-C 3.57Å; V1894-L1897 PolarHBondContact O-N 3.21Å; L1897-N1901 VanDerWaalsContact O-CB 3.23Å; L1897-N1901 WeakPolarHBondContact O-CB 3.34Å; L1897-N1901 PolarHBondContact O-N 3.44Å |
| 1898 | H | 78.1 | Confident | 77 | Confident | 122 Ų | 122 | 112.3 Ų | 112.3 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.6 | -41.2 | 176.8 | -152.3 | 67.4 | 0 | 0 | 0 | 111.5 | V1894 E1895 E1896 N1901 E1902 | V1894-H1898 VanDerWaalsContact O-CB 3.24Å; V1894-H1898 WeakPolarHBondContact O-CB 3.42Å; V1894-H1898 PolarHBondContact O-N 3.45Å; E1895-H1898 PolarHBondContact O-N 2.8Å; E1896-H1898 VanDerWaalsContact C-N 3.29Å; E1896-H1898 PolarHBondContact O-N 2.81Å; H1898-N1901 PolarHBondContact O-N 3.05Å; H1898-E1902 WeakPolarHBondContact O-CB 3.34Å; H1898-E1902 PolarHBondContact O-N 2.66Å |
| 1899 | E | 78.1 | Confident | 76.9 | Confident | 146 Ų | 146 | 108.3 Ų | 108.3 | 68% | 0.682 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 170.9 | -86.2 | -167.9 | 151.6 | 0 | 0 | 111.6 | E1895 E1896 N1901 E1902 S1903 | E1895-E1899 PolarHBondContact O-N 2.93Å; E1896-E1899 PolarHBondContact O-N 3.18Å; E1899-N1901 VanDerWaalsContact C-N 3.34Å; E1899-N1901 PolarHBondContact O-N 3.07Å; E1899-E1902 PolarHBondContact O-N 2.81Å; E1899-S1903 WeakPolarHBondContact O-CB 3.41Å; E1899-S1903 PolarHBondContact O-N 3.3Å |
| 1900 | V | 80.7 | Confident | 76.7 | Confident | 76 Ų | 76 | 107.2 Ų | 107.2 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.7 | 170 | 0 | 0 | 0 | 0 | 110.2 | E1896 S1903 L1904 | E1896-V1900 WeakPolarHBondContact O-CB 3.23Å; E1896-V1900 WeakPolarHBondContact O-CG2 3.41Å; E1896-V1900 PolarHBondContact O-N 2.83Å; V1900-S1903 PolarHBondContact O-OG 3.45Å; V1900-S1903 PolarHBondContact O-N 3.05Å; V1900-L1904 HydrophobicContact CG1-CG 4.49Å; V1900-L1904 WeakPolarHBondContact O-CB 3.25Å; V1900-L1904 WeakPolarHBondContact O-CG 3.5Å; V1900-L1904 PolarHBondContact O-N 3.19Å; V1900-L1904 HydrophobicContact CG1-CD1 3.96Å |
| 1901 | N | 77.6 | Confident | 76.6 | Confident | 95 Ų | 95 | 107 Ų | 107 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.8 | -36.2 | 179.3 | -146.5 | -4.9 | 0 | 0 | 0 | 111.9 | L1897 H1898 E1899 S1903 L1904 T1905 | L1897-N1901 VanDerWaalsContact O-CB 3.23Å; L1897-N1901 WeakPolarHBondContact O-CB 3.34Å; L1897-N1901 PolarHBondContact O-N 3.44Å; H1898-N1901 PolarHBondContact O-N 3.05Å; E1899-N1901 VanDerWaalsContact C-N 3.34Å; E1899-N1901 PolarHBondContact O-N 3.07Å; N1901-S1903 VanDerWaalsContact C-N 3.34Å; N1901-L1904 PolarHBondContact O-N 2.93Å; N1901-T1905 VanDerWaalsContact O-CB 3.29Å; N1901-T1905 WeakPolarHBondContact O-CB 3.47Å; N1901-T1905 PolarHBondContact O-N 3.37Å; N1901-T1905 PolarHBondContact O-OG1 3.43Å |
| 1902 | E | 78.2 | Confident | 76.5 | Confident | 103 Ų | 103 | 110.4 Ų | 110.4 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 169.3 | -85.7 | -155.8 | 158.5 | 0 | 0 | 111.7 | H1898 E1899 T1905 K1906 | H1898-E1902 WeakPolarHBondContact O-CB 3.34Å; H1898-E1902 PolarHBondContact O-N 2.66Å; E1899-E1902 PolarHBondContact O-N 2.81Å; E1902-T1905 PolarHBondContact O-N 2.92Å; E1902-K1906 WeakPolarHBondContact O-CB 3.23Å; E1902-K1906 WeakPolarHBondContact O-CG 3.21Å; E1902-K1906 PolarHBondContact O-N 2.85Å |
| 1903 | S | 77.8 | Confident | 76 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 175.6 | 86.9 | 0 | 0 | 0 | 0 | 111.1 | E1899 V1900 N1901 T1905 K1906 E1907 | E1899-S1903 WeakPolarHBondContact O-CB 3.41Å; E1899-S1903 PolarHBondContact O-N 3.3Å; V1900-S1903 PolarHBondContact O-OG 3.45Å; V1900-S1903 PolarHBondContact O-N 3.05Å; N1901-S1903 VanDerWaalsContact C-N 3.34Å; S1903-T1905 VanDerWaalsContact C-N 3.33Å; S1903-T1905 PolarHBondContact O-N 3.33Å; S1903-K1906 CarbonylContact O-C 3.52Å; S1903-K1906 PolarHBondContact O-N 3.02Å; S1903-E1907 WeakPolarHBondContact O-CB 3.48Å; S1903-E1907 PolarHBondContact O-N 2.88Å |
| 1904 | L | 79.3 | Confident | 75.5 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 40% | 0.398 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 175.2 | -77.9 | 168.2 | 0 | 0 | 0 | 111.2 | V1900 N1901 E1907 I1908 | V1900-L1904 HydrophobicContact CG1-CG 4.49Å; V1900-L1904 WeakPolarHBondContact O-CB 3.25Å; V1900-L1904 WeakPolarHBondContact O-CG 3.5Å; V1900-L1904 PolarHBondContact O-N 3.19Å; V1900-L1904 HydrophobicContact CG1-CD1 3.96Å; N1901-L1904 PolarHBondContact O-N 2.93Å; L1904-E1907 PolarHBondContact O-N 3.37Å; L1904-I1908 VanDerWaalsContact O-CB 3.29Å; L1904-I1908 WeakPolarHBondContact O-CB 3.24Å; L1904-I1908 WeakPolarHBondContact O-CG1 3.45Å; L1904-I1908 PolarHBondContact O-N 3.28Å |
| 1905 | T | 75.4 | Confident | 74.6 | Confident | 83 Ų | 83 | 109 Ų | 109 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 176.2 | -50.6 | 0 | 0 | 0 | 0 | 110.8 | N1901 E1902 S1903 S1909 | N1901-T1905 VanDerWaalsContact O-CB 3.29Å; N1901-T1905 WeakPolarHBondContact O-CB 3.47Å; N1901-T1905 PolarHBondContact O-N 3.37Å; N1901-T1905 PolarHBondContact O-OG1 3.43Å; E1902-T1905 PolarHBondContact O-N 2.92Å; S1903-T1905 VanDerWaalsContact C-N 3.33Å; S1903-T1905 PolarHBondContact O-N 3.33Å; T1905-S1909 WeakPolarHBondContact O-CB 3.24Å; T1905-S1909 PolarHBondContact O-N 2.9Å |
| 1906 | K | 77.7 | Confident | 73.7 | Confident | 145 Ų | 145 | 113.9 Ų | 113.9 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -40.8 | 170.1 | -81.9 | 173.4 | -178.3 | 157.4 | 0 | 111.5 | E1902 S1903 S1909 H1910 | E1902-K1906 WeakPolarHBondContact O-CB 3.23Å; E1902-K1906 WeakPolarHBondContact O-CG 3.21Å; E1902-K1906 PolarHBondContact O-N 2.85Å; S1903-K1906 CarbonylContact O-C 3.52Å; S1903-K1906 PolarHBondContact O-N 3.02Å; K1906-S1909 PolarHBondContact O-N 2.87Å; K1906-H1910 PolarHBondContact O-N 2.84Å; K1906-H1910 VanDerWaalsContact O-CB 3.3Å; K1906-H1910 WeakPolarHBondContact O-CB 3.3Å |
| 1907 | E | 77.1 | Confident | 72.4 | Confident | 110 Ų | 110 | 115.2 Ų | 115.2 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.5 | -43.3 | 174 | -79.7 | -168.1 | 161.7 | 0 | 0 | 111.6 | S1903 L1904 S1909 H1910 F1911 | S1903-E1907 WeakPolarHBondContact O-CB 3.48Å; S1903-E1907 PolarHBondContact O-N 2.88Å; L1904-E1907 PolarHBondContact O-N 3.37Å; E1907-S1909 VanDerWaalsContact C-N 3.31Å; E1907-S1909 PolarHBondContact O-N 2.86Å; E1907-H1910 CarbonylContact O-C 3.53Å; E1907-H1910 PolarHBondContact O-N 3.25Å; E1907-H1910 VanDerWaalsContact O-N 3.16Å; E1907-F1911 WeakPolarHBondContact O-CB 3.21Å; E1907-F1911 VanDerWaalsContact O-CD2 3.3Å; E1907-F1911 WeakPolarHBondContact O-CD2 3.3Å; E1907-F1911 PolarHBondContact O-N 3.33Å |
| 1908 | I | 75.6 | Confident | 71.2 | Confident | 89 Ų | 89 | 115 Ų | 115 | 46% | 0.456 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -37.2 | 174.8 | -71.4 | 166.4 | 0 | 0 | 0 | 110.5 | L1904 R1912 | L1904-I1908 VanDerWaalsContact O-CB 3.29Å; L1904-I1908 WeakPolarHBondContact O-CB 3.24Å; L1904-I1908 WeakPolarHBondContact O-CG1 3.45Å; L1904-I1908 PolarHBondContact O-N 3.28Å; I1908-R1912 HydrophobicContact CG2-CG 4.41Å; I1908-R1912 VanDerWaalsContact O-CB 3.24Å; I1908-R1912 WeakPolarHBondContact O-CB 3.29Å; I1908-R1912 VanDerWaalsContact O-CG 3.26Å; I1908-R1912 WeakPolarHBondContact O-CG 3.34Å; I1908-R1912 PolarHBondContact O-N 3.47Å |
| 1909 | S | 71.5 | Confident | 69.7 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.2 | -41.6 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | T1905 K1906 E1907 R1912 G1913 | T1905-S1909 WeakPolarHBondContact O-CB 3.24Å; T1905-S1909 PolarHBondContact O-N 2.9Å; K1906-S1909 PolarHBondContact O-N 2.87Å; E1907-S1909 VanDerWaalsContact C-N 3.31Å; E1907-S1909 PolarHBondContact O-N 2.86Å; S1909-R1912 PolarHBondContact O-N 2.91Å; S1909-G1913 PolarHBondContact O-N 3.5Å |
| 1910 | H | 74.3 | Confident | 67.6 | Low | 113 Ų | 113 | 119.5 Ų | 119.5 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.5 | -36.5 | 176.9 | -154.2 | 74.3 | 0 | 0 | 0 | 112 | K1906 E1907 G1913 R1914 | K1906-H1910 PolarHBondContact O-N 2.84Å; K1906-H1910 VanDerWaalsContact O-CB 3.3Å; K1906-H1910 WeakPolarHBondContact O-CB 3.3Å; E1907-H1910 CarbonylContact O-C 3.53Å; E1907-H1910 PolarHBondContact O-N 3.25Å; E1907-H1910 VanDerWaalsContact O-N 3.16Å; H1910-G1913 PolarHBondContact O-N 3.2Å; H1910-R1914 PolarHBondContact NE2-NE 2.89Å; H1910-R1914 PolarHBondContact NE2-NH2 2.84Å; H1910-R1914 PolarHBondContact O-N 2.87Å |
| 1911 | F | 71.3 | Confident | 67 | Low | 134 Ų | 134 | 121.7 Ų | 121.7 | 59% | 0.588 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.8 | -38.6 | 172.5 | -90.8 | -71.4 | 0 | 0 | 0 | 111.8 | E1907 G1913 R1914 M1915 | E1907-F1911 WeakPolarHBondContact O-CB 3.21Å; E1907-F1911 VanDerWaalsContact O-CD2 3.3Å; E1907-F1911 WeakPolarHBondContact O-CD2 3.3Å; E1907-F1911 PolarHBondContact O-N 3.33Å; F1911-G1913 VanDerWaalsContact C-N 3.28Å; F1911-G1913 PolarHBondContact O-N 2.99Å; F1911-R1914 PolarHBondContact O-N 3.45Å; F1911-M1915 WeakPolarHBondContact O-CB 3.39Å; F1911-M1915 PolarHBondContact O-N 2.84Å; F1911-M1915 WeakPolarHBondContact O-CG 3.42Å |
| 1912 | R | 71 | Confident | 66.4 | Low | 181 Ų | 181 | 123.1 Ų | 123.1 | 68% | 0.683 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.8 | -32.5 | 170.6 | -78.5 | 178.7 | 177.5 | -178.1 | 1 | 111.6 | I1908 S1909 R1916 | I1908-R1912 HydrophobicContact CG2-CG 4.41Å; I1908-R1912 VanDerWaalsContact O-CB 3.24Å; I1908-R1912 WeakPolarHBondContact O-CB 3.29Å; I1908-R1912 VanDerWaalsContact O-CG 3.26Å; I1908-R1912 WeakPolarHBondContact O-CG 3.34Å; I1908-R1912 PolarHBondContact O-N 3.47Å; S1909-R1912 PolarHBondContact O-N 2.91Å; R1912-R1916 PolarHBondContact O-N 3.33Å |
| 1913 | G | 68 | Low | 65.8 | Low | 39 Ų | 39 | 124.2 Ų | 124.2 | 40% | 0.402 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67 | -47.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1909 H1910 F1911 R1916 | S1909-G1913 PolarHBondContact O-N 3.5Å; H1910-G1913 PolarHBondContact O-N 3.2Å; F1911-G1913 VanDerWaalsContact C-N 3.28Å; F1911-G1913 PolarHBondContact O-N 2.99Å; G1913-R1916 PolarHBondContact O-N 3.4Å |
| 1914 | R | 66 | Low | 65 | Low | 143 Ų | 143 | 128.2 Ų | 128.2 | 54% | 0.54 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.2 | -36.6 | 177.1 | -75.7 | -174.3 | -170.4 | 178.9 | 4.4 | 113 | H1910 F1911 R1916 Q1917 | H1910-R1914 PolarHBondContact NE2-NE 2.89Å; H1910-R1914 PolarHBondContact NE2-NH2 2.84Å; H1910-R1914 PolarHBondContact O-N 2.87Å; F1911-R1914 PolarHBondContact O-N 3.45Å; R1914-R1916 PolarHBondContact O-N 3.21Å; R1914-Q1917 PolarHBondContact O-N 3.12Å |
| 1915 | M | 54.3 | Low | 64.2 | Low | 137 Ų | 137 | 131.4 Ų | 131.4 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.4 | -27.6 | 174.4 | -79 | -75.8 | -75.2 | 0 | 0 | 112.5 | F1911 Q1917 | F1911-M1915 WeakPolarHBondContact O-CB 3.39Å; F1911-M1915 PolarHBondContact O-N 2.84Å; F1911-M1915 WeakPolarHBondContact O-CG 3.42Å; M1915-Q1917 VanDerWaalsContact C-N 3.29Å; M1915-Q1917 PolarHBondContact O-N 3.24Å |
| 1916 | R | 57.5 | Low | 63.4 | Low | 216 Ų | 216 | 134.7 Ų | 134.7 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.7 | -15.6 | 171.3 | -74 | -175.1 | -165.4 | -171.9 | 4.6 | 113.8 | R1912 G1913 R1914 | R1912-R1916 PolarHBondContact O-N 3.33Å; G1913-R1916 PolarHBondContact O-N 3.4Å; R1914-R1916 PolarHBondContact O-N 3.21Å |
| 1917 | Q | 53.7 | Low | 62.4 | Low | 156 Ų | 156 | 133.9 Ų | 133.9 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -0.3 | 174.5 | -81.2 | -175.1 | -23.7 | 0 | 0 | 114.2 | R1914 M1915 | R1914-Q1917 PolarHBondContact O-N 3.12Å; M1915-Q1917 VanDerWaalsContact C-N 3.29Å; M1915-Q1917 PolarHBondContact O-N 3.24Å |
| 1918 | V | 52.9 | Low | 61.2 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -108 | 5.9 | 178.5 | -178 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1919 | V | 44.7 | Very low | 60.1 | Low | 125 Ų | 125 | 139.7 Ų | 139.7 | 76% | 0.758 | 67% | 0.672 | S | S | * | * | trans | -111.2 | 18.5 | 171.4 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1920 | H | 35.4 | Very low | 59 | Low | 237 Ų | 237 | 145.1 Ų | 145.1 | 100% | 1.097 | 68% | 0.682 | S | S | * | * | trans | -128 | 0 | 151.4 | -89.2 | 9.2 | 0 | 0 | 0 | 107.1 |
Retrieved 1,920 of 1,920 residues in 1031.8 ms
(Link to these results)