| 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 | 32.5 | Very low | 58.3 | Low | 137 Ų | 137 | 64.4 Ų | 64.4 | 68% | 0.675 | 38% | 0.384 | S | S | * | . | 0 | 133.1 | 0 | -81.9 | -179.7 | 142.7 | 0 | 0 | 107.9 | V3 W490 L492 | M1-V3 VanDerWaalsContact C-N 3.25Å; M1-V3 PolarHBondContact O-N 3.1Å; M1-W490 VanDerWaalsContact CE-O 3.22Å; M1-W490 WeakPolarHBondContact CE-O 3.47Å; M1-L492 HydrophobicContact CE-CD1 3.75Å; M1-L492 HydrophobicContact CE-CG 3.78Å; M1-L492 HydrophobicContact CG-CD1 4.29Å | |||
| 2 | A | 31.9 | Very low | 60 | Low | 106 Ų | 106 | 65.6 Ų | 65.6 | 88% | 0.876 | 40% | 0.398 | S | S | * | . | trans | -78.1 | 83.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | V | 44.3 | Very low | 61.8 | Low | 72 Ų | 72 | 61.2 Ų | 61.2 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | trans | -56.5 | 124.8 | 159.6 | 172.8 | 0 | 0 | 0 | 0 | 105.3 | M1 Q5 S7 | M1-V3 VanDerWaalsContact C-N 3.25Å; M1-V3 PolarHBondContact O-N 3.1Å; V3-Q5 PolarHBondContact O-N 3.44Å; V3-S7 WeakPolarHBondContact CG1-OG 3.49Å | ||
| 4 | P | 48.2 | Very low | 63.5 | Low | 59 Ų | 59 | 59.5 Ų | 59.5 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | trans | -54.4 | 133.3 | -178.3 | 18.5 | -27.4 | 0 | 0 | 0 | 108.3 | S6 S7 L28 | P4-S6 PolarHBondContact O-N 3.46Å; P4-S7 PolarHBondContact O-N 3.31Å; P4-S7 PolarHBondContact O-OG 3.17Å; P4-L28 HydrophobicContact CG-CD1 3.87Å | ||
| 5 | Q | 49.8 | Very low | 64.9 | Low | 187 Ų | 187 | 56.1 Ų | 56.1 | 87% | 0.874 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -49.4 | -27.6 | -173.5 | -83.1 | -178 | -26.2 | 0 | 0 | 113 | V3 S7 C8 | V3-Q5 PolarHBondContact O-N 3.44Å; Q5-S7 PolarHBondContact O-N 3.02Å; Q5-C8 PolarHBondContact O-N 3.48Å |
| 6 | S | 53.6 | Low | 66.1 | Low | 72 Ų | 72 | 53.8 Ų | 53.8 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -64.1 | -18.2 | 175.9 | 53 | 0 | 0 | 0 | 0 | 115.4 | P4 | P4-S6 PolarHBondContact O-N 3.46Š|
| 7 | S | 62.7 | Low | 67.3 | Low | 8 Ų | 8 | 56.1 Ų | 56.1 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -105.2 | -0.3 | -178.3 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | V3 P4 Q5 | V3-S7 WeakPolarHBondContact CG1-OG 3.49Å; P4-S7 PolarHBondContact O-N 3.31Å; P4-S7 PolarHBondContact O-OG 3.17Å; Q5-S7 PolarHBondContact O-N 3.02Å |
| 8 | C | 69.5 | Low | 68.5 | Low | 41 Ų | 41 | 52.9 Ų | 52.9 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | trans | -70.3 | 133.3 | 172 | -69.7 | 0 | 0 | 0 | 0 | 110.8 | Q5 K21 I699 | Q5-C8 PolarHBondContact O-N 3.48Å; C8-K21 PolarHBondContact O-NZ 3.09Å; C8-I699 HydrophobicContact CB-CD1 3.73Å; C8-I699 HydrophobicContact CB-CG1 4.4Å | ||
| 9 | L | 82.4 | Confident | 69.5 | Low | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.7 | 176.1 | -59.4 | 174.3 | 0 | 0 | 0 | 109.5 | W18 K21 L22 I698 I699 | L9-W18 HydrophobicContact CB-CD2 4.21Å; L9-W18 HydrophobicContact CB-CH2 4.36Å; L9-W18 HydrophobicContact CB-CZ2 3.97Å; L9-W18 HydrophobicContact CD1-CD2 4.28Å; L9-W18 HydrophobicContact CD1-CE3 3.93Å; L9-W18 HydrophobicContact CD1-CH2 4.45Å; L9-W18 HydrophobicContact CD1-CZ3 4.01Å; L9-W18 HydrophobicContact CD2-CB 4.16Å; L9-W18 HydrophobicContact CD2-CD2 3.83Å; L9-W18 HydrophobicContact CD2-CE3 4.22Å; L9-W18 HydrophobicContact CD2-CG 3.79Å; L9-W18 HydrophobicContact CG-CD2 4.32Å; L9-W18 HydrophobicContact CG-CE3 4.47Å; L9-K21 HydrophobicContact CD2-CB 4.05Å; L9-K21 HydrophobicContact CD2-CD 4.23Å; L9-L22 HydrophobicContact CD1-CD2 4.18Å; L9-L22 HydrophobicContact CD2-CG 4.33Å; L9-I698 HydrophobicContact CB-CG1 4.25Å; L9-I698 WeakPolarHBondContact O-CA 3.41Å; L9-I699 PolarHBondContact O-N 2.96Å |
| 10 | C | 84.1 | Confident | 70.4 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.5 | 178.6 | -167.6 | 0 | 0 | 0 | 0 | 110.1 | S12 D13 W18 I699 | C10-S12 PolarHBondContact O-N 3.18Å; C10-S12 PolarHBondContact SG-OG 2.96Å; C10-D13 VanDerWaalsContact CB-OD2 3.29Å; C10-D13 WeakPolarHBondContact CB-OD2 3.44Å; C10-D13 PolarHBondContact N-OD2 2.97Å; C10-D13 WeakPolarHBondContact O-CB 3.35Å; C10-D13 PolarHBondContact O-N 3.04Å; C10-D13 VanDerWaalsContact O-N 3.12Å; C10-W18 PolarHBondContact O-NE1 2.88Å; C10-I699 WeakPolarHBondContact CA-O 3.41Å; C10-I699 HydrophobicContact CB-CB 4.22Å; C10-I699 PolarHBondContact SG-O 3.29Å |
| 11 | L | 82.8 | Confident | 71.2 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.7 | 177.6 | -89.1 | 163.6 | 0 | 0 | 0 | 113.4 | I698 I699 R700 L736 D891 A894 L895 L898 | L11-I698 HydrophobicContact CG-CG2 4.15Å; L11-I699 PolarHBondContact N-O 2.98Å; L11-R700 HydrophobicContact CD1-CB 4.24Å; L11-R700 HydrophobicContact CD1-CG 4.22Å; L11-L736 HydrophobicContact CD1-CD2 4.36Å; L11-L736 HydrophobicContact CD2-CD2 4.18Å; L11-L736 HydrophobicContact CG-CD2 4.49Å; L11-D891 HydrophobicContact CD1-CB 4.4Å; L11-A894 HydrophobicContact CB-CB 4.36Å; L11-A894 HydrophobicContact CD2-CB 4.23Å; L11-L895 HydrophobicContact CD2-CB 4.22Å; L11-L895 HydrophobicContact CD2-CD1 4.41Å; L11-L898 HydrophobicContact CD2-CD1 4.21Å; L11-L898 WeakPolarHBondContact O-CD1 3.33Å |
| 12 | S | 78.7 | Confident | 73.8 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 55% | 0.552 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.7 | 175.5 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | C10 | C10-S12 PolarHBondContact O-N 3.18Å; C10-S12 PolarHBondContact SG-OG 2.96Å |
| 13 | D | 83.1 | Confident | 76.2 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -84.2 | 154.1 | -174.1 | -61 | -16.7 | 0 | 0 | 0 | 110.9 | C10 E17 K21 | C10-D13 VanDerWaalsContact CB-OD2 3.29Å; C10-D13 WeakPolarHBondContact CB-OD2 3.44Å; C10-D13 PolarHBondContact N-OD2 2.97Å; C10-D13 WeakPolarHBondContact O-CB 3.35Å; C10-D13 PolarHBondContact O-N 3.04Å; C10-D13 VanDerWaalsContact O-N 3.12Å; D13-E17 HydrophobicContact CB-CB 4.26Å; D13-E17 WeakPolarHBondContact CB-OE2 3.48Å; D13-K21 IonicContact OD2-NZ 3.62Å; D13-K21 PolarHBondContact OD2-NZ 3.03Å |
| 14 | S | 85 | Confident | 78.1 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | trans | -73.9 | 157.8 | 177.3 | 73.9 | 0 | 0 | 0 | 0 | 111.9 | S16 E17 W18 | S14-S16 PolarHBondContact O-N 2.97Å; S14-S16 PolarHBondContact OG-OG 3.49Å; S14-S16 VanDerWaalsContact OG-OG 3.05Å; S14-E17 WeakPolarHBondContact O-CB 3.41Å; S14-E17 PolarHBondContact O-N 3.12Å; S14-E17 VanDerWaalsContact O-N 3.07Å; S14-E17 PolarHBondContact OG-N 3.03Å; S14-W18 PolarHBondContact O-N 3.06Å | ||
| 15 | P | 84.6 | Confident | 79.7 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -31.4 | 176.8 | -15.2 | 22.1 | 0 | 0 | 0 | 113.4 | W18 L19 L898 E901 L902 L905 | P15-W18 WeakPolarHBondContact O-CB 3.4Å; P15-W18 PolarHBondContact O-N 3.13Å; P15-L19 WeakPolarHBondContact O-CB 3.19Å; P15-L19 PolarHBondContact O-N 3.18Å; P15-L898 HydrophobicContact CB-CD2 4.3Å; P15-L898 HydrophobicContact CG-CD2 3.95Å; P15-E901 WeakPolarHBondContact CD-OE2 3.35Å; P15-E901 HydrophobicContact CG-CB 3.6Å; P15-L902 HydrophobicContact CB-CB 4.07Å; P15-L902 HydrophobicContact CB-CD1 3.92Å; P15-L902 HydrophobicContact CG-CB 4.18Å; P15-L905 HydrophobicContact CB-CD2 3.98Å |
| 16 | S | 85 | Confident | 81.2 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.8 | -34 | 175.6 | 58 | 0 | 0 | 0 | 0 | 112.1 | S14 L19 N20 | S14-S16 PolarHBondContact O-N 2.97Å; S14-S16 PolarHBondContact OG-OG 3.49Å; S14-S16 VanDerWaalsContact OG-OG 3.05Å; S16-L19 PolarHBondContact O-N 3.03Å; S16-N20 WeakPolarHBondContact O-CB 3.33Å; S16-N20 PolarHBondContact O-N 3Å; S16-N20 PolarHBondContact O-ND2 3.12Å |
| 17 | E | 85.9 | Confident | 82.2 | Confident | 93 Ų | 93 | 30.3 Ų | 30.3 | 44% | 0.435 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 170.5 | -77.1 | -173.8 | 159.5 | 0 | 0 | 111.7 | D13 S14 L19 N20 K21 | D13-E17 HydrophobicContact CB-CB 4.26Å; D13-E17 WeakPolarHBondContact CB-OE2 3.48Å; S14-E17 WeakPolarHBondContact O-CB 3.41Å; S14-E17 PolarHBondContact O-N 3.12Å; S14-E17 VanDerWaalsContact O-N 3.07Å; S14-E17 PolarHBondContact OG-N 3.03Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.49Å; E17-N20 PolarHBondContact O-N 3.33Å; E17-K21 WeakPolarHBondContact O-CB 3.45Å; E17-K21 VanDerWaalsContact O-CG 3.27Å; E17-K21 WeakPolarHBondContact O-CG 3.41Å; E17-K21 PolarHBondContact O-N 3.03Å |
| 18 | W | 88.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 172.6 | -86.9 | 48.1 | 0 | 0 | 0 | 111.4 | L9 C10 S14 P15 N20 K21 L22 I698 F739 C743 L898 | L9-W18 HydrophobicContact CB-CD2 4.21Å; L9-W18 HydrophobicContact CB-CH2 4.36Å; L9-W18 HydrophobicContact CB-CZ2 3.97Å; L9-W18 HydrophobicContact CD1-CD2 4.28Å; L9-W18 HydrophobicContact CD1-CE3 3.93Å; L9-W18 HydrophobicContact CD1-CH2 4.45Å; L9-W18 HydrophobicContact CD1-CZ3 4.01Å; L9-W18 HydrophobicContact CD2-CB 4.16Å; L9-W18 HydrophobicContact CD2-CD2 3.83Å; L9-W18 HydrophobicContact CD2-CE3 4.22Å; L9-W18 HydrophobicContact CD2-CG 3.79Å; L9-W18 HydrophobicContact CG-CD2 4.32Å; L9-W18 HydrophobicContact CG-CE3 4.47Å; C10-W18 PolarHBondContact O-NE1 2.88Å; S14-W18 PolarHBondContact O-N 3.06Å; P15-W18 WeakPolarHBondContact O-CB 3.4Å; P15-W18 PolarHBondContact O-N 3.13Å; W18-N20 VanDerWaalsContact C-N 3.33Å; W18-N20 PolarHBondContact O-N 3.32Å; W18-K21 PolarHBondContact O-N 3.06Å; W18-L22 WeakPolarHBondContact O-CB 3.44Å; W18-L22 VanDerWaalsContact O-CG 3.3Å; W18-L22 WeakPolarHBondContact O-CG 3.24Å; W18-L22 PolarHBondContact O-N 2.8Å; W18-I698 HydrophobicContact CH2-CD1 3.71Å; W18-I698 HydrophobicContact CH2-CG1 4.08Å; W18-I698 HydrophobicContact CH2-CG2 4.24Å; W18-I698 HydrophobicContact CZ2-CG2 4.02Å; W18-I698 HydrophobicContact CZ3-CD1 4.4Å; W18-F739 HydrophobicContact CE3-CD1 4.22Å; W18-F739 HydrophobicContact CE3-CE1 4.04Å; W18-F739 AromaticContact CH2-CD1 3.89Å; W18-F739 HydrophobicContact CH2-CD1 3.89Å; W18-F739 HydrophobicContact CH2-CE1 4.22Å; W18-F739 AromaticContact CZ3-CD1 3.53Å; W18-F739 HydrophobicContact CZ3-CD1 3.53Å; W18-F739 AromaticContact CZ3-CE1 3.79Å; W18-F739 HydrophobicContact CZ3-CE1 3.79Å; W18-C743 HydrophobicContact CE3-CB 4.05Å; W18-L898 HydrophobicContact CZ2-CD1 4.15Å |
| 19 | L | 87.7 | Confident | 83.2 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56 | -48.3 | 177 | -176.2 | 63.5 | 0 | 0 | 0 | 111.6 | P15 S16 E17 L22 L23 L746 A747 A750 W754 | P15-L19 WeakPolarHBondContact O-CB 3.19Å; P15-L19 PolarHBondContact O-N 3.18Å; S16-L19 PolarHBondContact O-N 3.03Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.49Å; L19-L22 PolarHBondContact O-N 3.08Å; L19-L23 HydrophobicContact CG-CD1 4.24Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L746 HydrophobicContact CD1-CD2 4.24Å; L19-L746 HydrophobicContact CD1-CG 3.92Å; L19-A747 HydrophobicContact CD1-CB 3.81Å; L19-A750 HydrophobicContact CD1-CB 3.91Å; L19-A750 HydrophobicContact CD2-CB 4.27Å; L19-W754 HydrophobicContact CD2-CD2 3.58Å; L19-W754 HydrophobicContact CD2-CE3 3.88Å; L19-W754 HydrophobicContact CD2-CG 4.09Å; L19-W754 HydrophobicContact CD2-CH2 4.12Å; L19-W754 HydrophobicContact CD2-CZ2 3.82Å; L19-W754 HydrophobicContact CD2-CZ3 4.11Å |
| 20 | N | 87.5 | Confident | 82.8 | Confident | 31 Ų | 31 | 33.8 Ų | 33.8 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 179.2 | -82.2 | -27.2 | 0 | 0 | 0 | 112.9 | S16 E17 W18 Y24 W754 R755 E945 | S16-N20 WeakPolarHBondContact O-CB 3.33Å; S16-N20 PolarHBondContact O-N 3Å; S16-N20 PolarHBondContact O-ND2 3.12Å; E17-N20 PolarHBondContact O-N 3.33Å; W18-N20 VanDerWaalsContact C-N 3.33Å; W18-N20 PolarHBondContact O-N 3.32Å; N20-Y24 VanDerWaalsContact O-CB 3.3Å; N20-Y24 WeakPolarHBondContact O-CB 3.23Å; N20-Y24 PolarHBondContact O-N 3.09Å; N20-W754 PolarHBondContact OD1-NE1 3.27Å; N20-W754 VanDerWaalsContact OD1-NE1 3.14Å; N20-R755 VanDerWaalsContact CG-NH2 3.29Å; N20-R755 PolarHBondContact OD1-NH2 3.2Å; N20-E945 PolarHBondContact ND2-OE1 2.89Å; N20-E945 PolarHBondContact OD1-OE1 2.83Å |
| 21 | K | 87.2 | Confident | 82.2 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.1 | -75.7 | 176.7 | 176.5 | -172.3 | 0 | 111.7 | C8 L9 D13 E17 W18 Y24 R25 | C8-K21 PolarHBondContact O-NZ 3.09Å; L9-K21 HydrophobicContact CD2-CB 4.05Å; L9-K21 HydrophobicContact CD2-CD 4.23Å; D13-K21 IonicContact OD2-NZ 3.62Å; D13-K21 PolarHBondContact OD2-NZ 3.03Å; E17-K21 WeakPolarHBondContact O-CB 3.45Å; E17-K21 VanDerWaalsContact O-CG 3.27Å; E17-K21 WeakPolarHBondContact O-CG 3.41Å; E17-K21 PolarHBondContact O-N 3.03Å; W18-K21 PolarHBondContact O-N 3.06Å; K21-Y24 PolarHBondContact O-N 3.46Å; K21-R25 WeakPolarHBondContact O-CB 3.36Å; K21-R25 PolarHBondContact O-N 3.38Å |
| 22 | L | 86.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.9 | -43.9 | 176.5 | -71.9 | 172.1 | 0 | 0 | 0 | 111.9 | L9 W18 L19 Y24 R25 D26 C743 L744 A747 | L9-L22 HydrophobicContact CD1-CD2 4.18Å; L9-L22 HydrophobicContact CD2-CG 4.33Å; W18-L22 WeakPolarHBondContact O-CB 3.44Å; W18-L22 VanDerWaalsContact O-CG 3.3Å; W18-L22 WeakPolarHBondContact O-CG 3.24Å; W18-L22 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 3.08Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.21Å; L22-R25 CarbonylContact O-C 3.47Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.3Å; L22-R25 VanDerWaalsContact O-N 3.16Å; L22-D26 PolarHBondContact O-N 3.28Å; L22-C743 HydrophobicContact CD1-CB 3.65Å; L22-L744 HydrophobicContact CD2-CD1 3.98Å; L22-A747 HydrophobicContact CB-CB 3.72Å; L22-A747 HydrophobicContact CD1-CB 4.34Å |
| 23 | L | 83.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 172.9 | -76.5 | 170.5 | 0 | 0 | 0 | 111.9 | L19 D26 N27 A747 R751 W754 | L19-L23 HydrophobicContact CG-CD1 4.24Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.32Å; L23-D26 PolarHBondContact O-N 3.27Å; L23-N27 PolarHBondContact O-N 3.02Å; L23-N27 PolarHBondContact O-ND2 2.92Å; L23-A747 VanDerWaalsContact CD2-O 3.23Å; L23-A747 WeakPolarHBondContact CD2-O 3.48Å; L23-A747 HydrophobicContact CG-CB 4.43Å; L23-R751 HydrophobicContact CD2-CB 4.08Å; L23-R751 HydrophobicContact CD2-CG 4.35Å; L23-W754 HydrophobicContact CD1-CB 4.43Å; L23-W754 HydrophobicContact CD1-CG 4.27Å |
| 24 | Y | 83.3 | Confident | 81.3 | Confident | 103 Ų | 103 | 34.6 Ų | 34.6 | 40% | 0.404 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 174.2 | -179.3 | -106.8 | 0 | 0 | 0 | 111.6 | N20 K21 L22 N27 L28 | N20-Y24 VanDerWaalsContact O-CB 3.3Å; N20-Y24 WeakPolarHBondContact O-CB 3.23Å; N20-Y24 PolarHBondContact O-N 3.09Å; K21-Y24 PolarHBondContact O-N 3.46Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.21Å; Y24-N27 PolarHBondContact O-N 3.27Å; Y24-L28 HydrophobicContact CD1-CD1 3.8Å; Y24-L28 HydrophobicContact CD1-CG 4.5Å; Y24-L28 HydrophobicContact CE1-CD1 3.4Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.4Å; Y24-L28 HydrophobicContact CE1-CG 4.17Å; Y24-L28 WeakPolarHBondContact O-CG 3.16Å; Y24-L28 PolarHBondContact O-N 3.35Å |
| 25 | R | 82.8 | Confident | 80.8 | Confident | 45 Ų | 45 | 33.8 Ų | 33.8 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.8 | -50.8 | 173.7 | -168.9 | -177.8 | 81.7 | 164 | 7.2 | 110.2 | K21 L22 N27 L28 W490 D652 | K21-R25 WeakPolarHBondContact O-CB 3.36Å; K21-R25 PolarHBondContact O-N 3.38Å; L22-R25 CarbonylContact O-C 3.47Å; L22-R25 WeakPolarHBondContact O-CB 3.45Å; L22-R25 PolarHBondContact O-N 3.3Å; L22-R25 VanDerWaalsContact O-N 3.16Å; R25-N27 PolarHBondContact O-N 2.89Å; R25-N27 VanDerWaalsContact O-N 3.15Å; R25-L28 WeakPolarHBondContact O-CA 3.43Å; R25-L28 VanDerWaalsContact O-CB 3.3Å; R25-L28 WeakPolarHBondContact O-CB 3.24Å; R25-L28 PolarHBondContact O-N 3.44Å; R25-W490 HydrophobicContact CG-CH2 3.58Å; R25-W490 HydrophobicContact CG-CZ2 3.66Å; R25-W490 VanDerWaalsContact O-CH2 3.27Å; R25-W490 WeakPolarHBondContact O-CH2 3.23Å; R25-D652 IonicContact NH1-OD2 2.85Å |
| 26 | D | 79.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -25.6 | -179.7 | -76.6 | 7.1 | 0 | 0 | 0 | 113.6 | L22 L23 L28 H29 R748 R751 | L22-D26 PolarHBondContact O-N 3.28Å; L23-D26 PolarHBondContact O-N 3.27Å; D26-L28 VanDerWaalsContact C-N 3.31Å; D26-H29 PolarHBondContact O-ND1 3.18Å; D26-R748 IonicContact OD2-NE 3.61Å; D26-R751 IonicContact OD2-NH1 3.85Å |
| 27 | N | 75.6 | Confident | 80 | Confident | 84 Ų | 84 | 36.9 Ų | 36.9 | 45% | 0.449 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -77.5 | -16.1 | 171.4 | -72.3 | -30.4 | 0 | 0 | 0 | 113.2 | L23 Y24 R25 H29 R751 | L23-N27 PolarHBondContact O-N 3.02Å; L23-N27 PolarHBondContact O-ND2 2.92Å; Y24-N27 PolarHBondContact O-N 3.27Å; R25-N27 PolarHBondContact O-N 2.89Å; R25-N27 VanDerWaalsContact O-N 3.15Å; N27-H29 VanDerWaalsContact C-N 3.33Å; N27-R751 PolarHBondContact OD1-NH2 3.5Å |
| 28 | L | 78.1 | Confident | 79.1 | Confident | 44 Ų | 44 | 33.2 Ų | 33.2 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 13.6 | 175.6 | -68 | 171.9 | 0 | 0 | 0 | 113.8 | P4 Y24 R25 D26 R555 | P4-L28 HydrophobicContact CG-CD1 3.87Å; Y24-L28 HydrophobicContact CD1-CD1 3.8Å; Y24-L28 HydrophobicContact CD1-CG 4.5Å; Y24-L28 HydrophobicContact CE1-CD1 3.4Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.4Å; Y24-L28 HydrophobicContact CE1-CG 4.17Å; Y24-L28 WeakPolarHBondContact O-CG 3.16Å; Y24-L28 PolarHBondContact O-N 3.35Å; R25-L28 WeakPolarHBondContact O-CA 3.43Å; R25-L28 VanDerWaalsContact O-CB 3.3Å; R25-L28 WeakPolarHBondContact O-CB 3.24Å; R25-L28 PolarHBondContact O-N 3.44Å; D26-L28 VanDerWaalsContact C-N 3.31Å; L28-R555 VanDerWaalsContact CA-NH1 3.27Å; L28-R555 PolarHBondContact O-NH1 3.39Å |
| 29 | H | 75.7 | Confident | 77.7 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 146.9 | 175.6 | 67.4 | -90.9 | 0 | 0 | 0 | 112.5 | D26 N27 D31 R555 G556 L562 | D26-H29 PolarHBondContact O-ND1 3.18Å; N27-H29 VanDerWaalsContact C-N 3.33Å; H29-D31 PolarHBondContact O-N 3.32Å; H29-R555 PolarHBondContact O-NH1 2.93Å; H29-G556 PolarHBondContact NE2-O 3.21Å; H29-L562 HydrophobicContact CB-CD1 3.59Å |
| 30 | R | 73.2 | Confident | 76.4 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -77.3 | 119.5 | 174.4 | -76 | -172 | 179.7 | -152.4 | -3.5 | 109.2 | S34 T35 L492 | R30-S34 VanDerWaalsContact CA-OG 3.24Å; R30-S34 WeakPolarHBondContact CA-OG 3.31Å; R30-S34 WeakPolarHBondContact CB-OG 3.4Å; R30-T35 HydrophobicContact CB-CG2 3.96Å; R30-L492 PolarHBondContact NH1-O 3.42Å |
| 31 | D | 71.3 | Confident | 74.9 | Confident | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 167.4 | 170.2 | 64 | 15.1 | 0 | 0 | 0 | 110.8 | H29 T33 S34 T35 | H29-D31 PolarHBondContact O-N 3.32Å; D31-T33 PolarHBondContact O-N 2.94Å; D31-T33 WeakPolarHBondContact OD1-CA 3.41Å; D31-T33 VanDerWaalsContact OD1-CB 3.29Å; D31-T33 WeakPolarHBondContact OD1-CB 3.46Å; D31-T33 PolarHBondContact OD1-N 2.87Å; D31-T33 VanDerWaalsContact OD1-N 3.15Å; D31-T33 PolarHBondContact OD1-OG1 2.95Å; D31-S34 PolarHBondContact N-OG 2.99Å; D31-S34 PolarHBondContact O-N 2.92Å; D31-S34 PolarHBondContact O-OG 3.19Å; D31-S34 WeakPolarHBondContact OD1-CB 3.23Å; D31-S34 PolarHBondContact OD1-N 2.52Å; D31-S34 PolarHBondContact OD1-OG 2.7Å; D31-T35 PolarHBondContact O-N 3.41Å; D31-T35 VanDerWaalsContact O-N 3.08Å; D31-T35 PolarHBondContact O-OG1 3.02Å |
| 32 | L | 74.4 | Confident | 74 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.1 | -30.2 | 176.2 | -176.9 | 65.6 | 0 | 0 | 0 | 112.3 | T35 L36 Y360 L494 | L32-T35 WeakPolarHBondContact CA-OG1 3.41Å; L32-T35 PolarHBondContact O-OG1 3.15Å; L32-T35 VanDerWaalsContact O-OG1 3.1Å; L32-L36 HydrophobicContact CD1-CD1 4.13Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 3.97Å; L32-L36 HydrophobicContact CG-CG 4.48Å; L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 VanDerWaalsContact O-CG 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.13Å; L32-L36 PolarHBondContact O-N 3.44Å; L32-L36 VanDerWaalsContact O-N 3.16Å; L32-Y360 HydrophobicContact CD2-CD1 4.46Å; L32-Y360 HydrophobicContact CD2-CE1 3.86Å; L32-L494 HydrophobicContact CD1-CD1 4Å; L32-L494 HydrophobicContact CD1-CD2 4.26Å |
| 33 | T | 75.9 | Confident | 73.5 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.8 | -40.7 | -176.8 | -31.3 | 0 | 0 | 0 | 0 | 111.3 | D31 L38 L346 | D31-T33 PolarHBondContact O-N 2.94Å; D31-T33 WeakPolarHBondContact OD1-CA 3.41Å; D31-T33 VanDerWaalsContact OD1-CB 3.29Å; D31-T33 WeakPolarHBondContact OD1-CB 3.46Å; D31-T33 PolarHBondContact OD1-N 2.87Å; D31-T33 VanDerWaalsContact OD1-N 3.15Å; D31-T33 PolarHBondContact OD1-OG1 2.95Å; T33-L38 HydrophobicContact CG2-CB 4.03Å; T33-L38 HydrophobicContact CG2-CD1 3.62Å; T33-L38 HydrophobicContact CG2-CG 4.41Å; T33-L38 WeakPolarHBondContact O-CB 3.4Å; T33-L38 PolarHBondContact O-N 3.12Å; T33-L346 HydrophobicContact CG2-CB 3.45Å; T33-L346 VanDerWaalsContact CG2-CB 3.45Å; T33-L346 HydrophobicContact CG2-CD1 3.71Å; T33-L346 HydrophobicContact CG2-CG 3.66Å; T33-L346 PolarHBondContact OG1-N 2.97Å |
| 34 | S | 75.1 | Confident | 73.4 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.7 | -35.5 | 177 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | R30 D31 L36 E37 | R30-S34 VanDerWaalsContact CA-OG 3.24Å; R30-S34 WeakPolarHBondContact CA-OG 3.31Å; R30-S34 WeakPolarHBondContact CB-OG 3.4Å; D31-S34 PolarHBondContact N-OG 2.99Å; D31-S34 PolarHBondContact O-N 2.92Å; D31-S34 PolarHBondContact O-OG 3.19Å; D31-S34 WeakPolarHBondContact OD1-CB 3.23Å; D31-S34 PolarHBondContact OD1-N 2.52Å; D31-S34 PolarHBondContact OD1-OG 2.7Å; S34-L36 VanDerWaalsContact C-N 3.32Å; S34-E37 PolarHBondContact O-N 3.33Å; S34-E37 VanDerWaalsContact O-N 3.15Å |
| 35 | T | 75.8 | Confident | 73.5 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.2 | -25.4 | 176.4 | 52 | 0 | 0 | 0 | 0 | 113.2 | R30 D31 L32 E37 L494 | R30-T35 HydrophobicContact CB-CG2 3.96Å; D31-T35 PolarHBondContact O-N 3.41Å; D31-T35 VanDerWaalsContact O-N 3.08Å; D31-T35 PolarHBondContact O-OG1 3.02Å; L32-T35 WeakPolarHBondContact CA-OG1 3.41Å; L32-T35 PolarHBondContact O-OG1 3.15Å; L32-T35 VanDerWaalsContact O-OG1 3.1Å; T35-E37 VanDerWaalsContact C-N 3.29Å; T35-L494 PolarHBondContact O-N 2.91Å |
| 36 | L | 77.8 | Confident | 73.6 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.9 | 170.5 | -69.2 | 177.1 | 0 | 0 | 0 | 113.6 | L32 S34 L38 Y360 H369 L494 | L32-L36 HydrophobicContact CD1-CD1 4.13Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 3.97Å; L32-L36 HydrophobicContact CG-CG 4.48Å; L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 VanDerWaalsContact O-CG 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.13Å; L32-L36 PolarHBondContact O-N 3.44Å; L32-L36 VanDerWaalsContact O-N 3.16Å; S34-L36 VanDerWaalsContact C-N 3.32Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 HydrophobicContact CB-CD1 4.18Å; L36-L38 HydrophobicContact CB-CG 3.93Å; L36-L38 HydrophobicContact CD1-CD1 4.39Å; L36-L38 PolarHBondContact O-N 3.31Å; L36-Y360 HydrophobicContact CD1-CD2 4.28Å; L36-Y360 HydrophobicContact CD1-CE2 4.36Å; L36-Y360 HydrophobicContact CD1-CG 4.36Å; L36-H369 HydrophobicContact CD1-CB 4.47Å; L36-L494 HydrophobicContact CD2-CB 4.11Å; L36-L494 HydrophobicContact CD2-CD2 3.55Å; L36-L494 HydrophobicContact CD2-CG 4.46Å; L36-L494 HydrophobicContact CG-CD2 4.34Å |
| 37 | E | 73.8 | Confident | 73.6 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.6 | -177.8 | -58.1 | -164.6 | 162.5 | 0 | 0 | 115.1 | S34 T35 E39 K40 | S34-E37 PolarHBondContact O-N 3.33Å; S34-E37 VanDerWaalsContact O-N 3.15Å; T35-E37 VanDerWaalsContact C-N 3.29Å; E37-E39 PolarHBondContact O-N 3.26Å; E37-E39 VanDerWaalsContact O-N 3.12Å; E37-K40 PolarHBondContact O-N 2.83Å; E37-K40 IonicContact OE1-NZ 3.07Å; E37-K40 IonicContact OE2-NZ 3.87Å; E37-K40 PolarHBondContact OE2-NZ 2.98Å |
| 38 | L | 66.7 | Low | 73.7 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -67.5 | -13.8 | -173.9 | -71.9 | 173.9 | 0 | 0 | 0 | 114.7 | T33 L36 K40 C41 C347 L368 H369 | T33-L38 HydrophobicContact CG2-CB 4.03Å; T33-L38 HydrophobicContact CG2-CD1 3.62Å; T33-L38 HydrophobicContact CG2-CG 4.41Å; T33-L38 WeakPolarHBondContact O-CB 3.4Å; T33-L38 PolarHBondContact O-N 3.12Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 HydrophobicContact CB-CD1 4.18Å; L36-L38 HydrophobicContact CB-CG 3.93Å; L36-L38 HydrophobicContact CD1-CD1 4.39Å; L36-L38 PolarHBondContact O-N 3.31Å; L38-K40 PolarHBondContact O-N 3.35Å; L38-K40 VanDerWaalsContact O-N 3.14Å; L38-C41 PolarHBondContact O-N 3.33Å; L38-C347 WeakPolarHBondContact CD1-SG 3.38Å; L38-L368 HydrophobicContact CD1-CB 4.37Å; L38-L368 HydrophobicContact CD1-CD1 4.29Å; L38-L368 HydrophobicContact CD2-CB 3.74Å; L38-L368 WeakPolarHBondContact CD2-O 3.3Å; L38-H369 HydrophobicContact CD2-CB 3.92Å |
| 39 | E | 60.1 | Low | 73.6 | Confident | 166 Ų | 166 | 65 Ų | 65 | 78% | 0.776 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -63.2 | -17.2 | 178.9 | -66.3 | -175 | 162.1 | 0 | 0 | 113.7 | E37 C41 | E37-E39 PolarHBondContact O-N 3.26Å; E37-E39 VanDerWaalsContact O-N 3.12Å; E39-C41 PolarHBondContact O-N 2.85Å |
| 40 | K | 59.3 | Low | 73.4 | Confident | 138 Ų | 138 | 73.2 Ų | 73.2 | 60% | 0.6 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -79.1 | 4.8 | -178.7 | -67.6 | 175.9 | -176 | 162.7 | 0 | 114.4 | E37 L38 K42 | E37-K40 PolarHBondContact O-N 2.83Å; E37-K40 IonicContact OE1-NZ 3.07Å; E37-K40 IonicContact OE2-NZ 3.87Å; E37-K40 PolarHBondContact OE2-NZ 2.98Å; L38-K40 PolarHBondContact O-N 3.35Å; L38-K40 VanDerWaalsContact O-N 3.14Å; K40-K42 PolarHBondContact O-N 3.27Å |
| 41 | C | 56.5 | Low | 73.5 | Confident | 103 Ų | 103 | 75.4 Ų | 75.4 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 56 | 2 | 178.1 | -80.4 | 0 | 0 | 0 | 0 | 116.9 | L38 E39 R366 | L38-C41 PolarHBondContact O-N 3.33Å; E39-C41 PolarHBondContact O-N 2.85Å; C41-R366 PolarHBondContact O-NH2 2.91Å |
| 42 | K | 68.7 | Low | 73.8 | Confident | 168 Ų | 168 | 75 Ų | 75 | 73% | 0.73 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -105.3 | 133.7 | 177.7 | -157.7 | 175.7 | -175.7 | -178.6 | 0 | 108.8 | K40 C44 | K40-K42 PolarHBondContact O-N 3.27Å; K42-C44 PolarHBondContact O-N 3.29Å; K42-C44 PolarHBondContact O-SG 2.87Å |
| 43 | V | 75.6 | Confident | 74.1 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 28% | 0.279 | 37% | 0.367 | S | S | . | . | trans | -67.2 | 123.3 | 177.8 | -167 | 0 | 0 | 0 | 0 | 108.6 | I324 L367 L368 | V43-I324 HydrophobicContact CB-CD1 3.87Å; V43-I324 HydrophobicContact CB-CG1 4.42Å; V43-I324 HydrophobicContact CG1-CD1 3.36Å; V43-I324 HydrophobicContact CG1-CG1 4.3Å; V43-L367 HydrophobicContact CG1-CG 4.21Å; V43-L367 VanDerWaalsContact CG2-O 3.23Å; V43-L367 WeakPolarHBondContact CG2-O 3.29Å; V43-L368 WeakPolarHBondContact CG1-O 3.21Å | ||
| 44 | C | 81.3 | Confident | 73.9 | Confident | 50 Ų | 50 | 76 Ų | 76 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 165.8 | -175.7 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | K42 H369 I370 | K42-C44 PolarHBondContact O-N 3.29Å; K42-C44 PolarHBondContact O-SG 2.87Å; C44-H369 WeakPolarHBondContact O-CA 3.47Å; C44-H369 PolarHBondContact O-CD2 2.93Å; C44-I370 PolarHBondContact O-N 2.81Å; C44-I370 VanDerWaalsContact O-N 3.12Å |
| 45 | F | 85.2 | Confident | 73.4 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 40% | 0.395 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.2 | 171.7 | 71.8 | -87.1 | 0 | 0 | 0 | 111.3 | T48 I324 V325 I370 | F45-T48 HydrophobicContact CD2-CG2 4.26Å; F45-T48 HydrophobicContact CE2-CG2 3.96Å; F45-I324 HydrophobicContact CB-CG2 4.36Å; F45-I324 HydrophobicContact CD1-CG2 3.99Å; F45-V325 HydrophobicContact CB-CG2 3.53Å; F45-V325 HydrophobicContact CD1-CG2 3.97Å; F45-V325 HydrophobicContact CD2-CG2 4.1Å; F45-V325 HydrophobicContact CG-CG2 3.61Å; F45-I370 CarbonylContact C-O 3.58Å; F45-I370 WeakPolarHBondContact CA-O 3.06Å; F45-I370 HydrophobicContact CB-CB 4.13Å; F45-I370 WeakPolarHBondContact CB-O 3.44Å |
| 46 | S | 86.9 | Confident | 72.6 | Confident | 22 Ų | 22 | 83 Ų | 83 | 15% | 0.154 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 178.6 | 176.3 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | H369 I370 R371 L372 | S46-H369 PolarHBondContact N-NE2 3.07Å; S46-H369 PolarHBondContact OG-CE1 3.45Å; S46-H369 PolarHBondContact OG-NE2 3.2Å; S46-I370 PolarHBondContact N-O 3.19Å; S46-R371 VanDerWaalsContact OG-CD 3.23Å; S46-R371 WeakPolarHBondContact OG-CD 3.28Å; S46-R371 PolarHBondContact OG-NH1 2.71Å; S46-L372 PolarHBondContact O-N 2.96Å |
| 47 | G | 79.7 | Confident | 71.2 | Confident | 6 Ų | 6 | 88.8 Ų | 88.8 | 6% | 0.062 | 45% | 0.453 | C | S | . | . | trans | 89.1 | 29.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | D52 | G47-D52 VanDerWaalsContact CA-OD2 3.24Å; G47-D52 WeakPolarHBondContact CA-OD2 3.36Å; G47-D52 PolarHBondContact N-OD2 3.06Å | ||
| 48 | T | 77.5 | Confident | 70 | Confident | 85 Ų | 85 | 88.5 Ų | 88.5 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | trans | -109.1 | -16.4 | 177.5 | 49.7 | 0 | 0 | 0 | 0 | 113 | F45 D52 L372 | F45-T48 HydrophobicContact CD2-CG2 4.26Å; F45-T48 HydrophobicContact CE2-CG2 3.96Å; T48-D52 PolarHBondContact N-OD2 2.84Å; T48-L372 HydrophobicContact CG2-CD1 3.63Å | ||
| 49 | R | 75.3 | Confident | 69.1 | Low | 152 Ų | 152 | 90.7 Ų | 90.7 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -98.1 | 143.7 | -175.7 | -51.5 | 176.2 | 79.6 | 178.4 | 2.4 | 108 | L51 D52 | R49-L51 HydrophobicContact CB-CB 4.48Å; R49-L51 PolarHBondContact O-N 3.1Å; R49-D52 PolarHBondContact N-OD2 3.01Å; R49-D52 VanDerWaalsContact N-OD2 3.12Å; R49-D52 VanDerWaalsContact O-CB 3.26Å; R49-D52 WeakPolarHBondContact O-CB 3.19Å; R49-D52 PolarHBondContact O-N 3.12Å |
| 50 | E | 71.4 | Confident | 68.3 | Low | 182 Ų | 182 | 86.2 Ų | 86.2 | 85% | 0.85 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -56.5 | -32.4 | 170.7 | -71.6 | 175.9 | 168.5 | 0 | 0 | 111.8 | D52 Y53 | E50-D52 PolarHBondContact O-N 2.96Å; E50-Y53 CarbonylContact O-C 3.47Å; E50-Y53 PolarHBondContact O-N 3.09Å; E50-Y53 VanDerWaalsContact O-O 3.06Å |
| 51 | L | 75.2 | Confident | 67.9 | Low | 126 Ų | 126 | 80.8 Ų | 80.8 | 66% | 0.66 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -64.6 | -21.4 | 174.5 | -69.6 | 161.9 | 0 | 0 | 0 | 113.8 | R49 T495 | R49-L51 HydrophobicContact CB-CB 4.48Å; R49-L51 PolarHBondContact O-N 3.1Å; L51-T495 WeakPolarHBondContact O-CG2 3.24Å |
| 52 | D | 78.7 | Confident | 67.7 | Low | 14 Ų | 14 | 81 Ų | 81 | 8% | 0.075 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -74.4 | -23 | 174.8 | -59.3 | -25.2 | 0 | 0 | 0 | 110.7 | G47 T48 R49 E50 R371 E496 | G47-D52 VanDerWaalsContact CA-OD2 3.24Å; G47-D52 WeakPolarHBondContact CA-OD2 3.36Å; G47-D52 PolarHBondContact N-OD2 3.06Å; T48-D52 PolarHBondContact N-OD2 2.84Å; R49-D52 PolarHBondContact N-OD2 3.01Å; R49-D52 VanDerWaalsContact N-OD2 3.12Å; R49-D52 VanDerWaalsContact O-CB 3.26Å; R49-D52 WeakPolarHBondContact O-CB 3.19Å; R49-D52 PolarHBondContact O-N 3.12Å; E50-D52 PolarHBondContact O-N 2.96Å; D52-R371 PolarHBondContact O-NH2 3.12Å; D52-E496 PolarHBondContact O-N 2.89Å |
| 53 | Y | 80 | Confident | 67.6 | Low | 27 Ų | 27 | 73.6 Ų | 73.6 | 11% | 0.106 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -131.9 | 69.4 | -179 | -63.9 | -66.6 | 0 | 0 | 0 | 111.7 | E50 V55 R358 L372 P374 I483 E496 | E50-Y53 CarbonylContact O-C 3.47Å; E50-Y53 PolarHBondContact O-N 3.09Å; E50-Y53 VanDerWaalsContact O-O 3.06Å; Y53-V55 PolarHBondContact O-N 3.1Å; Y53-R358 PolarHBondContact OH-NH2 3.35Å; Y53-L372 PolarHBondContact OH-O 2.96Å; Y53-P374 HydrophobicContact CD1-CB 3.97Å; Y53-P374 HydrophobicContact CD1-CG 4.27Å; Y53-P374 HydrophobicContact CD2-CB 3.97Å; Y53-P374 HydrophobicContact CE1-CB 4.18Å; Y53-P374 HydrophobicContact CE1-CG 4.14Å; Y53-P374 HydrophobicContact CE2-CB 4.16Å; Y53-P374 HydrophobicContact CG-CB 3.87Å; Y53-I483 HydrophobicContact CE1-CG2 4.48Å; Y53-E496 WeakPolarHBondContact CA-O 3.3Å; Y53-E496 HydrophobicContact CD1-CB 4.05Å; Y53-E496 HydrophobicContact CE1-CB 3.93Å; Y53-E496 VanDerWaalsContact CE1-OE2 3.28Å; Y53-E496 WeakPolarHBondContact CE1-OE2 3.23Å; Y53-E496 PolarHBondContact OH-OE2 2.99Å |
| 54 | P | 71.5 | Confident | 67.7 | Low | 63 Ų | 63 | 71.6 Ų | 71.6 | 41% | 0.409 | 38% | 0.384 | S | S | . | . | trans | -60.3 | 127 | -179.1 | 24.2 | -33.4 | 0 | 0 | 0 | 111.4 | L56 E496 | P54-L56 PolarHBondContact O-N 2.85Å; P54-E496 WeakPolarHBondContact CD-O 3.47Å | ||
| 55 | V | 64.5 | Low | 67.7 | Low | 115 Ų | 115 | 72 Ų | 72 | 70% | 0.697 | 38% | 0.381 | S | S | * | . | trans | -70.7 | 114.4 | 173.5 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | Y53 N57 | Y53-V55 PolarHBondContact O-N 3.1Å; V55-N57 PolarHBondContact O-N 3.26Å; V55-N57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | L | 59.3 | Low | 67.4 | Low | 81 Ų | 81 | 69.5 Ų | 69.5 | 42% | 0.424 | 38% | 0.377 | S | S | . | . | trans | -71 | 104.3 | 171 | -90.5 | 102.6 | 0 | 0 | 0 | 109.4 | P54 D58 | P54-L56 PolarHBondContact O-N 2.85Å; L56-D58 PolarHBondContact O-N 2.78Å | ||
| 57 | N | 48.2 | Very low | 67.2 | Low | 131 Ų | 131 | 71.8 Ų | 71.8 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | trans | -77.6 | 70.1 | 168.2 | -94.8 | -3.6 | 0 | 0 | 0 | 109.8 | V55 | V55-N57 PolarHBondContact O-N 3.26Å; V55-N57 VanDerWaalsContact O-N 3.1Å | ||
| 58 | D | 49.2 | Very low | 67.3 | Low | 76 Ų | 76 | 76.1 Ų | 76.1 | 41% | 0.406 | 41% | 0.408 | S | S | . | . | trans | -167.8 | 133.3 | 151.3 | -122.7 | -20.1 | 0 | 0 | 0 | 112.3 | L56 L60 | L56-D58 PolarHBondContact O-N 2.78Å; D58-L60 PolarHBondContact O-N 2.95Å | ||
| 59 | G | 47.2 | Very low | 67.6 | Low | 63 Ų | 63 | 75.7 Ų | 75.7 | 65% | 0.649 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 32.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 60 | L | 44.2 | Very low | 67.9 | Low | 72 Ų | 72 | 70.8 Ų | 70.8 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 1.8 | -174.5 | -76.3 | 169.7 | 0 | 0 | 0 | 115.1 | D58 | D58-L60 PolarHBondContact O-N 2.95Š|
| 61 | S | 49.2 | Very low | 68.4 | Low | 24 Ų | 24 | 67.1 Ų | 67.1 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | trans | -108.7 | 71.9 | 179.8 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | E63 | S61-E63 PolarHBondContact O-N 3.02Š| ||
| 62 | Y | 52.9 | Low | 68.7 | Low | 109 Ų | 109 | 61.9 Ų | 61.9 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | trans | -73.7 | 108.4 | 155.7 | -34.9 | -73.7 | 0 | 0 | 0 | 105.8 | I64 | Y62-I64 WeakPolarHBondContact CB-O 3.39Å; Y62-I64 PolarHBondContact O-N 3.02Å | ||
| 63 | E | 66.6 | Low | 68.9 | Low | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -64.9 | -33.2 | 174.6 | -74.1 | -177.2 | 170.7 | 0 | 0 | 110.6 | S61 S484 S497 L586 | S61-E63 PolarHBondContact O-N 3.02Å; E63-S484 WeakPolarHBondContact OE2-CB 3.38Å; E63-S484 PolarHBondContact OE2-OG 3.43Å; E63-S497 PolarHBondContact OE1-OG 3.27Å; E63-L586 HydrophobicContact CB-CD1 4.04Å; E63-L586 WeakPolarHBondContact O-CA 3.44Å; E63-L586 WeakPolarHBondContact O-CD1 3.19Å |
| 64 | I | 78.9 | Confident | 68.8 | Low | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.8 | 174.9 | -80.3 | -171.2 | 0 | 0 | 0 | 110.9 | Y62 I397 T482 L573 F584 R585 L586 | Y62-I64 WeakPolarHBondContact CB-O 3.39Å; Y62-I64 PolarHBondContact O-N 3.02Å; I64-I397 HydrophobicContact CD1-CD1 3.71Å; I64-I397 HydrophobicContact CD1-CG1 4.06Å; I64-I397 HydrophobicContact CD1-CG2 4.24Å; I64-T482 HydrophobicContact CB-CG2 4.11Å; I64-T482 HydrophobicContact CD1-CG2 3.35Å; I64-T482 HydrophobicContact CG1-CG2 3.72Å; I64-L573 HydrophobicContact CD1-CD1 3.78Å; I64-L573 HydrophobicContact CG1-CD1 4.29Å; I64-F584 HydrophobicContact CG2-CB 4.04Å; I64-F584 HydrophobicContact CG2-CD1 3.4Å; I64-F584 HydrophobicContact CG2-CE1 4.06Å; I64-F584 HydrophobicContact CG2-CG 3.9Å; I64-R585 WeakPolarHBondContact CA-O 3.47Å; I64-L586 HydrophobicContact CD1-CD1 4.24Å; I64-L586 HydrophobicContact CG1-CB 4.5Å; I64-L586 HydrophobicContact CG1-CD1 3.47Å; I64-L586 VanDerWaalsContact CG1-CD1 3.47Å |
| 65 | E | 79.9 | Confident | 69.1 | Low | 58 Ų | 58 | 66.7 Ų | 66.7 | 27% | 0.271 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.3 | 173.4 | -63.5 | 179.5 | 170.2 | 0 | 0 | 110.4 | F584 R585 | E65-F584 CarbonylContact O-C 3.59Å; E65-F584 VanDerWaalsContact O-CA 3.31Å; E65-F584 WeakPolarHBondContact O-CA 3.47Å; E65-R585 HydrophobicContact CB-CG 3.99Å; E65-R585 PolarHBondContact N-O 2.88Å; E65-R585 PolarHBondContact O-N 2.79Å; E65-R585 IonicContact OE2-CZ 2.81Å; E65-R585 IonicContact OE2-NE 4Å; E65-R585 PolarHBondContact OE2-NE 3Å; E65-R585 IonicContact OE2-NH2 2.74Å; E65-R585 PolarHBondContact OE2-NH2 2.88Å |
| 66 | A | 80.4 | Confident | 69.7 | Low | 38 Ų | 38 | 61.2 Ų | 61.2 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | W502 V582 H583 F584 | A66-W502 HydrophobicContact CB-CH2 3.51Å; A66-W502 HydrophobicContact CB-CZ2 3.34Å; A66-W502 HydrophobicContact CB-CZ3 4.25Å; A66-V582 HydrophobicContact CB-CG1 4.2Å; A66-H583 CarbonylContact C-O 3.51Å; A66-H583 WeakPolarHBondContact CA-O 3.47Å; A66-F584 HydrophobicContact CB-CD1 4.02Å; A66-F584 HydrophobicContact CB-CE1 3.89Å |
| 67 | T | 81.3 | Confident | 70.5 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 44% | 0.436 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -44.1 | -178.6 | 52 | 0 | 0 | 0 | 0 | 112.6 | H583 R585 | T67-H583 PolarHBondContact N-O 2.93Å; T67-H583 WeakPolarHBondContact OG1-CB 3.12Å; T67-H583 PolarHBondContact OG1-O 3.3Å; T67-R585 HydrophobicContact CG2-CB 3.67Å; T67-R585 HydrophobicContact CG2-CG 3.46Å; T67-R585 VanDerWaalsContact CG2-CG 3.46Å |
| 68 | K | 83.2 | Confident | 71.7 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148.9 | -179.1 | -57.9 | -173.6 | -171.9 | 172.3 | 0 | 109.4 | F70 H583 | K68-F70 HydrophobicContact CB-CE2 3.95Å; K68-F70 HydrophobicContact CB-CZ 3.78Å; K68-F70 HydrophobicContact CD-CE2 4.34Å; K68-F70 HydrophobicContact CD-CZ 3.67Å; K68-F70 HydrophobicContact CG-CZ 4.36Å; K68-H583 HydrophobicContact CB-CB 4.25Å; K68-H583 PolarHBondContact O-N 2.63Å |
| 69 | S | 82.4 | Confident | 73 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 53% | 0.531 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 136.9 | 170.5 | 62.9 | 0 | 0 | 0 | 0 | 109.6 | V581 | S69-V581 CarbonylContact C-O 3.56Å; S69-V581 WeakPolarHBondContact CA-O 3.28Å |
| 70 | F | 82.4 | Confident | 74.4 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 21% | 0.211 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.1 | 179.5 | -47.3 | -77.8 | 0 | 0 | 0 | 109.1 | K68 E112 G580 V581 H583 | K68-F70 HydrophobicContact CB-CE2 3.95Å; K68-F70 HydrophobicContact CB-CZ 3.78Å; K68-F70 HydrophobicContact CD-CE2 4.34Å; K68-F70 HydrophobicContact CD-CZ 3.67Å; K68-F70 HydrophobicContact CG-CZ 4.36Å; F70-E112 WeakPolarHBondContact CE2-O 3.21Å; F70-E112 WeakPolarHBondContact CZ-O 3.44Å; F70-G580 CarbonylContact O-C 3.51Å; F70-G580 VanDerWaalsContact O-CA 3.24Å; F70-G580 WeakPolarHBondContact O-CA 3.34Å; F70-V581 PolarHBondContact N-O 3.38Å; F70-V581 PolarHBondContact O-N 3.12Å; F70-H583 AromaticContact CE2-CD2 3.68Å; F70-H583 AromaticContact CE2-NE2 3.76Å |
| 71 | P | 82.4 | Confident | 75.7 | Confident | 105 Ų | 105 | 61.8 Ų | 61.8 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 160.3 | 171.4 | 29.8 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 72 | L | 80.8 | Confident | 77 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.2 | 170.4 | -67.5 | 168.5 | 0 | 0 | 0 | 109.9 | F80 W109 A578 | L72-F80 HydrophobicContact CD1-CE2 4.16Å; L72-W109 HydrophobicContact CD2-CH2 4.18Å; L72-W109 HydrophobicContact CD2-CZ2 3.98Å; L72-A578 WeakPolarHBondContact CD1-O 3.43Å |
| 73 | P | 82.5 | Confident | 77.9 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -46.8 | 132.6 | 172.1 | -29.6 | 30.4 | 0 | 0 | 0 | 111.9 | D75 L76 W109 L117 | P73-D75 PolarHBondContact O-N 3.04Å; P73-L76 HydrophobicContact CB-CD1 4.03Å; P73-L76 HydrophobicContact CB-CG 4.24Å; P73-L76 HydrophobicContact CG-CD1 3.91Å; P73-L76 WeakPolarHBondContact O-CB 3.37Å; P73-L76 PolarHBondContact O-N 2.82Å; P73-W109 HydrophobicContact CG-CD2 3.99Å; P73-W109 HydrophobicContact CG-CE3 4.39Å; P73-W109 HydrophobicContact CG-CG 4.11Å; P73-L117 HydrophobicContact CB-CD2 4.16Å; P73-L117 HydrophobicContact CG-CD1 4.35Å |
| 74 | P | 78.8 | Confident | 78.1 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 60% | 0.597 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61 | -32.8 | -174.2 | 23.8 | -33 | 0 | 0 | 0 | 112.4 | L76 I77 E78 | P74-L76 PolarHBondContact O-N 2.82Å; P74-I77 WeakPolarHBondContact O-CB 3.38Å; P74-I77 PolarHBondContact O-N 2.81Å; P74-E78 PolarHBondContact O-N 3.3Å |
| 75 | D | 77.1 | Confident | 77.9 | Confident | 100 Ų | 100 | 73.5 Ų | 73.5 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.7 | -29.9 | 177.1 | -55.2 | -32.9 | 0 | 0 | 0 | 112.4 | P73 L117 | P73-D75 PolarHBondContact O-N 3.04Å; D75-L117 HydrophobicContact CB-CD2 4.1Å; D75-L117 WeakPolarHBondContact OD2-CD2 3.3Å |
| 76 | L | 77.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.2 | -34.2 | 175.6 | -66.8 | 170.5 | 0 | 0 | 0 | 112.1 | P73 P74 E78 K79 F80 V100 I102 F107 W109 | P73-L76 HydrophobicContact CB-CD1 4.03Å; P73-L76 HydrophobicContact CB-CG 4.24Å; P73-L76 HydrophobicContact CG-CD1 3.91Å; P73-L76 WeakPolarHBondContact O-CB 3.37Å; P73-L76 PolarHBondContact O-N 2.82Å; P74-L76 PolarHBondContact O-N 2.82Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.41Å; L76-K79 CarbonylContact O-C 3.51Å; L76-K79 PolarHBondContact O-N 3.26Å; L76-K79 VanDerWaalsContact O-N 3.08Å; L76-F80 HydrophobicContact CB-CD2 4.24Å; L76-F80 HydrophobicContact CB-CE2 4.01Å; L76-F80 WeakPolarHBondContact O-CD2 3.43Å; L76-F80 PolarHBondContact O-N 2.96Å; L76-V100 HydrophobicContact CD1-CG1 3.93Å; L76-V100 HydrophobicContact CD2-CG1 3.56Å; L76-V100 HydrophobicContact CG-CG1 4.39Å; L76-I102 HydrophobicContact CD2-CD1 4.21Å; L76-F107 HydrophobicContact CD2-CB 3.71Å; L76-F107 HydrophobicContact CD2-CD1 3.73Å; L76-F107 HydrophobicContact CD2-CD2 3.57Å; L76-F107 HydrophobicContact CD2-CE1 4.23Å; L76-F107 HydrophobicContact CD2-CE2 4.09Å; L76-F107 HydrophobicContact CD2-CG 3.39Å; L76-F107 HydrophobicContact CD2-CZ 4.4Å; L76-W109 HydrophobicContact CD1-CE3 4.21Å; L76-W109 HydrophobicContact CD1-CH2 3.82Å; L76-W109 HydrophobicContact CD1-CZ3 3.65Å |
| 77 | I | 74.7 | Confident | 78 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 34% | 0.344 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | -177.2 | -59 | 176.4 | 0 | 0 | 0 | 110.1 | P74 K79 F80 S81 L468 | P74-I77 WeakPolarHBondContact O-CB 3.38Å; P74-I77 PolarHBondContact O-N 2.81Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 2.74Å; I77-F80 PolarHBondContact O-N 3.35Å; I77-S81 PolarHBondContact O-N 2.98Å; I77-L468 HydrophobicContact CG2-CD1 4.02Å; I77-L468 HydrophobicContact CG2-CD2 3.81Å; I77-L468 HydrophobicContact CG2-CG 4.48Å |
| 78 | E | 74.9 | Confident | 78.2 | Confident | 150 Ų | 150 | 71.2 Ų | 71.2 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 173.4 | -68.7 | -170 | 175.2 | 0 | 0 | 110.9 | P74 L76 S81 | P74-E78 PolarHBondContact O-N 3.3Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.41Å; E78-S81 WeakPolarHBondContact O-CB 3.45Å; E78-S81 PolarHBondContact O-N 3.4Å; E78-S81 PolarHBondContact O-OG 3.18Å |
| 79 | K | 75.6 | Confident | 78.4 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.2 | -35.1 | -177.6 | -150.8 | 67.5 | 172.4 | -162.5 | 0 | 113.5 | L76 I77 S81 S82 M83 I102 E105 F107 | L76-K79 CarbonylContact O-C 3.51Å; L76-K79 PolarHBondContact O-N 3.26Å; L76-K79 VanDerWaalsContact O-N 3.08Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 2.74Å; K79-S81 PolarHBondContact O-N 3.26Å; K79-S82 WeakPolarHBondContact O-CA 3.31Å; K79-S82 PolarHBondContact O-N 3.1Å; K79-S82 PolarHBondContact O-OG 2.78Å; K79-M83 PolarHBondContact O-N 3.17Å; K79-I102 HydrophobicContact CB-CD1 3.88Å; K79-I102 HydrophobicContact CG-CD1 4.1Å; K79-I102 HydrophobicContact CG-CG2 4.45Å; K79-E105 WeakPolarHBondContact CE-OE1 3.42Å; K79-E105 WeakPolarHBondContact CE-OE2 3.23Å; K79-E105 IonicContact NZ-OE1 3.16Å; K79-E105 PolarHBondContact NZ-OE1 3.31Å; K79-E105 IonicContact NZ-OE2 2.76Å; K79-E105 PolarHBondContact NZ-OE2 2.63Å; K79-F107 HydrophobicContact CG-CE2 4.48Å; K79-F107 HydrophobicContact CG-CZ 4.25Å |
| 80 | F | 75.5 | Confident | 78.7 | Confident | 41 Ų | 41 | 64.6 Ų | 64.6 | 18% | 0.18 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.2 | -34.3 | 171.5 | -82.3 | -62.9 | 0 | 0 | 0 | 112.4 | L72 L76 I77 S82 M83 V100 I102 W509 | L72-F80 HydrophobicContact CD1-CE2 4.16Å; L76-F80 HydrophobicContact CB-CD2 4.24Å; L76-F80 HydrophobicContact CB-CE2 4.01Å; L76-F80 WeakPolarHBondContact O-CD2 3.43Å; L76-F80 PolarHBondContact O-N 2.96Å; I77-F80 PolarHBondContact O-N 3.35Å; F80-S82 PolarHBondContact O-N 2.99Å; F80-M83 HydrophobicContact CD1-SD 4.42Å; F80-M83 WeakPolarHBondContact O-CB 3.36Å; F80-M83 PolarHBondContact O-N 2.94Å; F80-V100 HydrophobicContact CZ-CG2 4.09Å; F80-I102 HydrophobicContact CD1-CD1 4.18Å; F80-I102 HydrophobicContact CD2-CD1 4.49Å; F80-I102 HydrophobicContact CE1-CD1 4.21Å; F80-I102 HydrophobicContact CE1-CG1 4.32Å; F80-I102 HydrophobicContact CE2-CD1 4.5Å; F80-I102 HydrophobicContact CG-CD1 4.32Å; F80-I102 HydrophobicContact CZ-CD1 4.36Å; F80-W509 HydrophobicContact CE1-CH2 4.33Å; F80-W509 HydrophobicContact CZ-CH2 4.44Å |
| 81 | S | 73.3 | Confident | 79 | Confident | 104 Ų | 104 | 63.6 Ų | 63.6 | 73% | 0.727 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.2 | -22.6 | 176.5 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | I77 E78 K79 | I77-S81 PolarHBondContact O-N 2.98Å; E78-S81 WeakPolarHBondContact O-CB 3.45Å; E78-S81 PolarHBondContact O-N 3.4Å; E78-S81 PolarHBondContact O-OG 3.18Å; K79-S81 PolarHBondContact O-N 3.26Å |
| 82 | S | 75 | Confident | 79.3 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -3.1 | 179.4 | 69.4 | 0 | 0 | 0 | 0 | 114.7 | K79 F80 Q84 | K79-S82 WeakPolarHBondContact O-CA 3.31Å; K79-S82 PolarHBondContact O-N 3.1Å; K79-S82 PolarHBondContact O-OG 2.78Å; F80-S82 PolarHBondContact O-N 2.99Å; S82-Q84 PolarHBondContact O-N 3.15Å |
| 83 | M | 72.5 | Confident | 79.4 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 35% | 0.345 | 33% | 0.331 | S | S | . | . | trans | -60 | 132.2 | -176.9 | 177.9 | -175.1 | 160.3 | 0 | 0 | 111.7 | K79 F80 C87 I102 | K79-M83 PolarHBondContact O-N 3.17Å; F80-M83 HydrophobicContact CD1-SD 4.42Å; F80-M83 WeakPolarHBondContact O-CB 3.36Å; F80-M83 PolarHBondContact O-N 2.94Å; M83-C87 HydrophobicContact CE-CB 3.46Å; M83-C87 VanDerWaalsContact CE-CB 3.46Å; M83-C87 HydrophobicContact SD-CB 3.61Å; M83-I102 HydrophobicContact CB-CG2 3.97Å; M83-I102 HydrophobicContact CG-CG2 4.13Å | ||
| 84 | Q | 71.5 | Confident | 79.3 | Confident | 170 Ų | 170 | 61.7 Ų | 61.7 | 79% | 0.794 | 34% | 0.338 | S | S | * | . | trans | -103.5 | -42.9 | -178 | -63.1 | -169.6 | 7.7 | 0 | 0 | 113.8 | S82 D103 | S82-Q84 PolarHBondContact O-N 3.15Å; Q84-D103 PolarHBondContact N-OD2 3.16Å | ||
| 85 | T | 73 | Confident | 79.6 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -131.9 | -52.5 | -162.8 | 64.2 | 0 | 0 | 0 | 0 | 115.3 | D103 | T85-D103 WeakPolarHBondContact CA-OD1 3.18Å; T85-D103 WeakPolarHBondContact CB-OD1 3.44Å; T85-D103 PolarHBondContact N-OD1 3.32Å; T85-D103 PolarHBondContact OG1-OD1 2.84Å |
| 86 | N | 79.5 | Confident | 80 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 24% | 0.235 | 30% | 0.297 | C | S | . | . | trans | -143.3 | 143.8 | -168.6 | -160.3 | 22.2 | 0 | 0 | 0 | 113 | D103 T126 I127 | N86-D103 PolarHBondContact N-OD1 2.96Å; N86-D103 PolarHBondContact O-N 2.81Å; N86-T126 HydrophobicContact CB-CG2 3.94Å; N86-I127 PolarHBondContact ND2-O 3.18Å | ||
| 87 | C | 83.2 | Confident | 80.5 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 125.7 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | M83 V100 T101 | M83-C87 HydrophobicContact CE-CB 3.46Å; M83-C87 VanDerWaalsContact CE-CB 3.46Å; M83-C87 HydrophobicContact SD-CB 3.61Å; C87-V100 VanDerWaalsContact SG-CG2 3.58Å; C87-T101 VanDerWaalsContact CA-O 3.28Å; C87-T101 WeakPolarHBondContact CA-O 2.88Å; C87-T101 PolarHBondContact SG-O 2.88Å |
| 88 | L | 87 | Confident | 81.2 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153 | 175.2 | -53.1 | 165.6 | 0 | 0 | 0 | 108.1 | W99 V100 T101 I128 | L88-W99 HydrophobicContact CB-CH2 4Å; L88-W99 HydrophobicContact CB-CZ3 3.74Å; L88-V100 CarbonylContact O-C 3.55Å; L88-V100 VanDerWaalsContact O-CA 3.29Å; L88-V100 WeakPolarHBondContact O-CA 3.13Å; L88-V100 VanDerWaalsContact O-CG2 3.3Å; L88-V100 WeakPolarHBondContact O-CG2 3.48Å; L88-T101 VanDerWaalsContact CB-OG1 3.31Å; L88-T101 WeakPolarHBondContact CB-OG1 2.7Å; L88-T101 PolarHBondContact N-O 2.98Å; L88-T101 PolarHBondContact N-OG1 2.92Å; L88-T101 PolarHBondContact O-N 2.92Å; L88-I128 VanDerWaalsContact CD1-C 3.49Å; L88-I128 VanDerWaalsContact CD1-O 3.23Å; L88-I128 WeakPolarHBondContact CD1-O 3.11Å |
| 89 | M | 86.4 | Confident | 82 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 159.5 | 170.3 | 65.6 | 172.1 | 41.2 | 0 | 0 | 110.7 | W99 V100 W509 I576 | M89-W99 VanDerWaalsContact CA-O 3.27Å; M89-W99 WeakPolarHBondContact CA-O 3.36Å; M89-W99 WeakPolarHBondContact CB-O 3.06Å; M89-V100 HydrophobicContact CB-CB 4.39Å; M89-V100 HydrophobicContact CB-CG2 4.19Å; M89-W509 HydrophobicContact CB-CE3 4.47Å; M89-W509 HydrophobicContact CE-CB 4.45Å; M89-W509 HydrophobicContact CE-CD2 3.66Å; M89-W509 HydrophobicContact CE-CE3 2.92Å; M89-W509 HydrophobicContact CE-CG 4.37Å; M89-W509 HydrophobicContact CE-CH2 4.11Å; M89-W509 HydrophobicContact CE-CZ3 3.17Å; M89-W509 HydrophobicContact CG-CB 3.86Å; M89-W509 HydrophobicContact CG-CD2 4.39Å; M89-W509 HydrophobicContact CG-CE3 3.66Å; M89-W509 HydrophobicContact SD-CB 3.22Å; M89-W509 WeakPolarHBondContact SD-CB 3.25Å; M89-W509 HydrophobicContact SD-CD2 3.62Å; M89-W509 HydrophobicContact SD-CE3 3.25Å; M89-W509 HydrophobicContact SD-CG 3.72Å; M89-W509 HydrophobicContact SD-CZ3 4.13Å; M89-I576 HydrophobicContact CE-CG2 3.72Å; M89-I576 HydrophobicContact SD-CB 3.7Å; M89-I576 HydrophobicContact SD-CD1 4.46Å; M89-I576 HydrophobicContact SD-CG2 3.22Å; M89-I576 WeakPolarHBondContact SD-CG2 3.35Å |
| 90 | G | 88.4 | Confident | 82.7 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | -171.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W99 | G90-W99 VanDerWaalsContact C-CD1 3.46Å; G90-W99 VanDerWaalsContact C-NE1 3.26Å; G90-W99 VanDerWaalsContact N-CE2 3.31Å; G90-W99 PolarHBondContact N-O 3.09Å; G90-W99 PolarHBondContact O-N 2.82Å |
| 91 | V | 88.8 | Confident | 83.4 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.6 | -178.8 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | T93 F111 T512 L574 I576 | V91-T93 HydrophobicContact CG1-CG2 4Å; V91-F111 HydrophobicContact CG1-CD1 3.98Å; V91-F111 HydrophobicContact CG1-CE1 4.22Å; V91-T512 HydrophobicContact CB-CG2 3.84Å; V91-T512 HydrophobicContact CG1-CG2 3.94Å; V91-T512 HydrophobicContact CG2-CG2 3.83Å; V91-L574 HydrophobicContact CB-CD2 4.49Å; V91-L574 HydrophobicContact CG1-CD2 4.06Å; V91-L574 HydrophobicContact CG2-CD2 3.53Å; V91-I576 HydrophobicContact CG2-CD1 3.44Å; V91-I576 VanDerWaalsContact CG2-CD1 3.44Å; V91-I576 HydrophobicContact CG2-CG1 4.16Å |
| 92 | F | 89.4 | Confident | 84.1 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 93.7 | 165.2 | -63.7 | -32.6 | 0 | 0 | 0 | 109 | L94 C95 E96 K97 W99 M108 V130 L132 L148 | F92-L94 VanDerWaalsContact C-N 3.27Å; F92-L94 PolarHBondContact O-N 3.45Å; F92-C95 WeakPolarHBondContact CB-SG 3.39Å; F92-E96 PolarHBondContact O-N 3.14Å; F92-K97 HydrophobicContact CB-CB 4.43Å; F92-K97 HydrophobicContact CD2-CB 4.43Å; F92-K97 PolarHBondContact N-O 2.82Å; F92-K97 PolarHBondContact O-N 3.12Å; F92-K97 VanDerWaalsContact O-N 3.13Å; F92-W99 AromaticContact CD1-CD1 3.52Å; F92-W99 AromaticContact CD1-NE1 3.49Å; F92-W99 HydrophobicContact CD2-CB 4.47Å; F92-W99 AromaticContact CD2-CD1 3.56Å; F92-W99 HydrophobicContact CD2-CG 4.27Å; F92-W99 AromaticContact CE1-CD1 3.4Å; F92-W99 VanDerWaalsContact CE1-CD1 3.4Å; F92-W99 HydrophobicContact CE1-CG 4.29Å; F92-W99 AromaticContact CE1-NE1 3.18Å; F92-W99 HydrophobicContact CE2-CB 4.1Å; F92-W99 AromaticContact CE2-CD1 3.43Å; F92-W99 VanDerWaalsContact CE2-CD1 3.43Å; F92-W99 AromaticContact CE2-CG 3.85Å; F92-W99 HydrophobicContact CE2-CG 3.85Å; F92-W99 AromaticContact CG-CD1 3.62Å; F92-W99 AromaticContact CZ-CD1 3.37Å; F92-W99 HydrophobicContact CZ-CD2 4.34Å; F92-W99 AromaticContact CZ-CG 3.87Å; F92-W99 HydrophobicContact CZ-CG 3.87Å; F92-W99 AromaticContact CZ-NE1 3.53Å; F92-M108 HydrophobicContact CD2-SD 4.39Å; F92-M108 HydrophobicContact CE2-SD 3.98Å; F92-V130 HydrophobicContact CE1-CG1 4.23Å; F92-V130 HydrophobicContact CZ-CG1 3.6Å; F92-L132 HydrophobicContact CB-CD2 4.06Å; F92-L132 HydrophobicContact CD1-CB 3.56Å; F92-L132 HydrophobicContact CD1-CD2 4.46Å; F92-L132 HydrophobicContact CD1-CG 4.48Å; F92-L132 HydrophobicContact CE1-CB 3.67Å; F92-L132 HydrophobicContact CG-CB 4.08Å; F92-L132 HydrophobicContact CG-CD2 4.25Å; F92-L132 HydrophobicContact CZ-CB 4.27Å; F92-L148 HydrophobicContact CE2-CD1 3.87Å; F92-L148 HydrophobicContact CZ-CD1 3.71Å |
| 93 | T | 83.4 | Confident | 84.9 | Confident | 37 Ų | 37 | 34.3 Ų | 34.3 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.1 | -178.3 | 54 | 0 | 0 | 0 | 0 | 112.8 | V91 T512 L514 | V91-T93 HydrophobicContact CG1-CG2 4Å; T93-T512 HydrophobicContact CG2-CG2 4.19Å; T93-L514 HydrophobicContact CG2-CD2 4.05Å |
| 94 | L | 80.6 | Confident | 85.7 | Confident | 45 Ų | 45 | 33.4 Ų | 33.4 | 24% | 0.236 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -27.6 | -176.7 | -63.4 | 174.6 | 0 | 0 | 0 | 114.4 | F92 L132 V134 F146 F520 | F92-L94 VanDerWaalsContact C-N 3.27Å; F92-L94 PolarHBondContact O-N 3.45Å; L94-L132 HydrophobicContact CB-CD2 3.96Å; L94-L132 HydrophobicContact CD1-CD2 4.38Å; L94-V134 HydrophobicContact CD1-CG2 3.77Å; L94-F146 HydrophobicContact CB-CE1 3.86Å; L94-F146 HydrophobicContact CB-CZ 4.18Å; L94-F146 HydrophobicContact CD1-CE1 4.44Å; L94-F520 HydrophobicContact CD2-CE1 3.75Å; L94-F520 HydrophobicContact CD2-CE2 4.4Å; L94-F520 HydrophobicContact CD2-CZ 3.38Å |
| 95 | C | 83.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.034 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 11.4 | -179.2 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | F92 K97 L132 F146 L181 | F92-C95 WeakPolarHBondContact CB-SG 3.39Å; C95-K97 VanDerWaalsContact C-N 3.33Å; C95-K97 PolarHBondContact O-N 3.41Å; C95-L132 HydrophobicContact CB-CD2 4.42Å; C95-F146 HydrophobicContact CB-CD2 4.04Å; C95-F146 HydrophobicContact CB-CE2 3.69Å; C95-F146 HydrophobicContact CB-CZ 4.22Å; C95-L181 HydrophobicContact CB-CD2 3.85Å |
| 96 | E | 85.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 22.7 Ų | 22.7 | 23% | 0.229 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 30.2 | 177.2 | -57.2 | -173.3 | 166.7 | 0 | 0 | 115.7 | F92 N110 F111 | F92-E96 PolarHBondContact O-N 3.14Å; E96-N110 WeakPolarHBondContact O-CA 3.45Å; E96-N110 PolarHBondContact O-OD1 3.26Å; E96-F111 VanDerWaalsContact C-CE1 3.47Å; E96-F111 HydrophobicContact CB-CD1 4.48Å; E96-F111 HydrophobicContact CB-CE1 4Å; E96-F111 HydrophobicContact CB-CZ 3.98Å; E96-F111 HydrophobicContact CG-CE1 4.34Å; E96-F111 HydrophobicContact CG-CZ 3.97Å; E96-F111 WeakPolarHBondContact O-CD1 3.46Å; E96-F111 PolarHBondContact O-N 2.61Å; E96-F111 VanDerWaalsContact O-N 3.08Å |
| 97 | K | 88.2 | Confident | 88.1 | Confident | 14 Ų | 14 | 21.3 Ų | 21.3 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.2 | -176.9 | -61.5 | -61.7 | -177.2 | -175.3 | 0 | 113.5 | F92 C95 M108 W109 D116 L181 | F92-K97 HydrophobicContact CB-CB 4.43Å; F92-K97 HydrophobicContact CD2-CB 4.43Å; F92-K97 PolarHBondContact N-O 2.82Å; F92-K97 PolarHBondContact O-N 3.12Å; F92-K97 VanDerWaalsContact O-N 3.13Å; C95-K97 VanDerWaalsContact C-N 3.33Å; C95-K97 PolarHBondContact O-N 3.41Å; K97-M108 HydrophobicContact CB-CB 4.44Å; K97-W109 CarbonylContact C-O 3.52Å; K97-W109 WeakPolarHBondContact CA-O 3.31Å; K97-W109 VanDerWaalsContact CD-C 3.47Å; K97-W109 WeakPolarHBondContact CD-O 3.13Å; K97-D116 PolarHBondContact NZ-O 3.32Å; K97-D116 IonicContact NZ-OD2 3.84Å; K97-D116 PolarHBondContact NZ-OD2 2.91Å; K97-L181 HydrophobicContact CG-CD2 4.29Å |
| 98 | V | 89.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 145.3 | 155.1 | 177.5 | 0 | 0 | 0 | 0 | 107.9 | M108 W109 F111 L574 I576 V581 | V98-M108 CarbonylContact O-C 3.58Å; V98-M108 WeakPolarHBondContact O-CA 3.03Å; V98-W109 HydrophobicContact CB-CD2 4.1Å; V98-W109 HydrophobicContact CB-CH2 4.25Å; V98-W109 HydrophobicContact CB-CZ2 3.74Å; V98-W109 HydrophobicContact CG1-CD2 4.4Å; V98-W109 HydrophobicContact CG1-CH2 3.5Å; V98-W109 HydrophobicContact CG1-CZ2 3.23Å; V98-W109 HydrophobicContact CG1-CZ3 4.17Å; V98-W109 PolarHBondContact N-O 2.89Å; V98-W109 PolarHBondContact O-N 3.36Å; V98-F111 HydrophobicContact CG2-CB 3.39Å; V98-L574 HydrophobicContact CG2-CD2 3.9Å; V98-I576 HydrophobicContact CG1-CD1 3.55Å; V98-I576 HydrophobicContact CG1-CG1 4.46Å; V98-I576 HydrophobicContact CG2-CD1 4.31Å; V98-V581 HydrophobicContact CG1-CG2 4.47Å; V98-V581 HydrophobicContact CG2-CG1 4.41Å; V98-V581 HydrophobicContact CG2-CG2 4.1Å |
| 99 | W | 91.7 | Very high | 88.6 | Confident | 23 Ų | 23 | 18.1 Ų | 18.1 | 9% | 0.087 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.2 | 174.4 | 63.5 | -94.3 | 0 | 0 | 0 | 112.2 | L88 M89 G90 F92 T101 I106 F107 M108 V130 | L88-W99 HydrophobicContact CB-CH2 4Å; L88-W99 HydrophobicContact CB-CZ3 3.74Å; M89-W99 VanDerWaalsContact CA-O 3.27Å; M89-W99 WeakPolarHBondContact CA-O 3.36Å; M89-W99 WeakPolarHBondContact CB-O 3.06Å; G90-W99 VanDerWaalsContact C-CD1 3.46Å; G90-W99 VanDerWaalsContact C-NE1 3.26Å; G90-W99 VanDerWaalsContact N-CE2 3.31Å; G90-W99 PolarHBondContact N-O 3.09Å; G90-W99 PolarHBondContact O-N 2.82Å; F92-W99 AromaticContact CD1-CD1 3.52Å; F92-W99 AromaticContact CD1-NE1 3.49Å; F92-W99 HydrophobicContact CD2-CB 4.47Å; F92-W99 AromaticContact CD2-CD1 3.56Å; F92-W99 HydrophobicContact CD2-CG 4.27Å; F92-W99 AromaticContact CE1-CD1 3.4Å; F92-W99 VanDerWaalsContact CE1-CD1 3.4Å; F92-W99 HydrophobicContact CE1-CG 4.29Å; F92-W99 AromaticContact CE1-NE1 3.18Å; F92-W99 HydrophobicContact CE2-CB 4.1Å; F92-W99 AromaticContact CE2-CD1 3.43Å; F92-W99 VanDerWaalsContact CE2-CD1 3.43Å; F92-W99 AromaticContact CE2-CG 3.85Å; F92-W99 HydrophobicContact CE2-CG 3.85Å; F92-W99 AromaticContact CG-CD1 3.62Å; F92-W99 AromaticContact CZ-CD1 3.37Å; F92-W99 HydrophobicContact CZ-CD2 4.34Å; F92-W99 AromaticContact CZ-CG 3.87Å; F92-W99 HydrophobicContact CZ-CG 3.87Å; F92-W99 AromaticContact CZ-NE1 3.53Å; W99-T101 HydrophobicContact CE3-CG2 4.12Å; W99-T101 HydrophobicContact CZ3-CG2 3.98Å; W99-I106 HydrophobicContact CB-CD1 4.4Å; W99-F107 CarbonylContact C-O 3.43Å; W99-F107 WeakPolarHBondContact CA-O 3.12Å; W99-M108 HydrophobicContact CB-CG 3.9Å; W99-V130 HydrophobicContact CD2-CG1 4.17Å; W99-V130 HydrophobicContact CE3-CB 4.3Å; W99-V130 HydrophobicContact CE3-CG1 4.25Å; W99-V130 HydrophobicContact CE3-CG2 4.36Å; W99-V130 HydrophobicContact CH2-CB 3.75Å; W99-V130 HydrophobicContact CH2-CG1 4.33Å; W99-V130 HydrophobicContact CH2-CG2 4.23Å; W99-V130 HydrophobicContact CZ2-CB 4.01Å; W99-V130 HydrophobicContact CZ2-CG1 4.22Å; W99-V130 HydrophobicContact CZ3-CB 3.89Å; W99-V130 HydrophobicContact CZ3-CG1 4.33Å; W99-V130 HydrophobicContact CZ3-CG2 3.93Å |
| 100 | V | 90 | Very high | 88.6 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.1 | 168.6 | 73.3 | 0 | 0 | 0 | 0 | 109.3 | L76 F80 C87 L88 M89 F107 W109 | L76-V100 HydrophobicContact CD1-CG1 3.93Å; L76-V100 HydrophobicContact CD2-CG1 3.56Å; L76-V100 HydrophobicContact CG-CG1 4.39Å; F80-V100 HydrophobicContact CZ-CG2 4.09Å; C87-V100 VanDerWaalsContact SG-CG2 3.58Å; L88-V100 CarbonylContact O-C 3.55Å; L88-V100 VanDerWaalsContact O-CA 3.29Å; L88-V100 WeakPolarHBondContact O-CA 3.13Å; L88-V100 VanDerWaalsContact O-CG2 3.3Å; L88-V100 WeakPolarHBondContact O-CG2 3.48Å; M89-V100 HydrophobicContact CB-CB 4.39Å; M89-V100 HydrophobicContact CB-CG2 4.19Å; V100-F107 HydrophobicContact CG1-CB 3.94Å; V100-F107 HydrophobicContact CG1-CD2 4.24Å; V100-F107 HydrophobicContact CG1-CG 4.47Å; V100-F107 PolarHBondContact N-O 3.11Å; V100-F107 PolarHBondContact O-N 2.91Å; V100-W109 HydrophobicContact CB-CH2 4.23Å; V100-W109 HydrophobicContact CB-CZ3 4.16Å; V100-W109 HydrophobicContact CG1-CH2 4.19Å; V100-W109 HydrophobicContact CG1-CZ3 3.81Å |
| 101 | T | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.8 | 167.5 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | C87 L88 W99 E105 I106 I127 V130 | C87-T101 VanDerWaalsContact CA-O 3.28Å; C87-T101 WeakPolarHBondContact CA-O 2.88Å; C87-T101 PolarHBondContact SG-O 2.88Å; L88-T101 VanDerWaalsContact CB-OG1 3.31Å; L88-T101 WeakPolarHBondContact CB-OG1 2.7Å; L88-T101 PolarHBondContact N-O 2.98Å; L88-T101 PolarHBondContact N-OG1 2.92Å; L88-T101 PolarHBondContact O-N 2.92Å; W99-T101 HydrophobicContact CE3-CG2 4.12Å; W99-T101 HydrophobicContact CZ3-CG2 3.98Å; T101-E105 VanDerWaalsContact CA-O 3.26Å; T101-E105 WeakPolarHBondContact CA-O 3.25Å; T101-I106 HydrophobicContact CG2-CB 4.07Å; T101-I106 HydrophobicContact CG2-CD1 4.29Å; T101-I106 HydrophobicContact CG2-CG1 4.01Å; T101-I127 HydrophobicContact CG2-CB 4.26Å; T101-I127 HydrophobicContact CG2-CD1 4.26Å; T101-I127 HydrophobicContact CG2-CG2 3.92Å; T101-V130 HydrophobicContact CG2-CG2 3.56Å |
| 102 | I | 89 | Confident | 88 | Confident | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 106 | 171 | -58.1 | 175.8 | 0 | 0 | 0 | 105.6 | L76 K79 F80 M83 N104 E105 F107 | L76-I102 HydrophobicContact CD2-CD1 4.21Å; K79-I102 HydrophobicContact CB-CD1 3.88Å; K79-I102 HydrophobicContact CG-CD1 4.1Å; K79-I102 HydrophobicContact CG-CG2 4.45Å; F80-I102 HydrophobicContact CD1-CD1 4.18Å; F80-I102 HydrophobicContact CD2-CD1 4.49Å; F80-I102 HydrophobicContact CE1-CD1 4.21Å; F80-I102 HydrophobicContact CE1-CG1 4.32Å; F80-I102 HydrophobicContact CE2-CD1 4.5Å; F80-I102 HydrophobicContact CG-CD1 4.32Å; F80-I102 HydrophobicContact CZ-CD1 4.36Å; M83-I102 HydrophobicContact CB-CG2 3.97Å; M83-I102 HydrophobicContact CG-CG2 4.13Å; I102-N104 PolarHBondContact O-N 3.24Å; I102-E105 PolarHBondContact N-O 3.46Å; I102-E105 PolarHBondContact O-N 3.32Å; I102-E105 VanDerWaalsContact O-N 3.08Å; I102-F107 HydrophobicContact CD1-CE2 4.23Å |
| 103 | D | 90 | Very high | 87.5 | Confident | 20 Ų | 20 | 20.4 Ų | 20.4 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -102.4 | -173.3 | -60.9 | -46.7 | 0 | 0 | 0 | 113 | Q84 T85 N86 T126 I127 | Q84-D103 PolarHBondContact N-OD2 3.16Å; T85-D103 WeakPolarHBondContact CA-OD1 3.18Å; T85-D103 WeakPolarHBondContact CB-OD1 3.44Å; T85-D103 PolarHBondContact N-OD1 3.32Å; T85-D103 PolarHBondContact OG1-OD1 2.84Å; N86-D103 PolarHBondContact N-OD1 2.96Å; N86-D103 PolarHBondContact O-N 2.81Å; D103-T126 CarbonylContact O-C 3.57Å; D103-T126 WeakPolarHBondContact O-CA 3.47Å; D103-I127 PolarHBondContact O-N 3.32Å |
| 104 | N | 90.1 | Very high | 87.3 | Confident | 51 Ų | 51 | 19.9 Ų | 19.9 | 27% | 0.273 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -3.2 | -177.6 | 68.1 | -50.1 | 0 | 0 | 0 | 114.3 | I102 V123 D125 I127 | I102-N104 PolarHBondContact O-N 3.24Å; N104-V123 WeakPolarHBondContact CB-O 3.41Å; N104-V123 PolarHBondContact ND2-O 3.32Å; N104-D125 VanDerWaalsContact CB-O 3.26Å; N104-D125 WeakPolarHBondContact CB-O 3.45Å; N104-I127 WeakPolarHBondContact O-CD1 3.44Å |
| 105 | E | 90.6 | Very high | 87.2 | Confident | 35 Ų | 35 | 24.5 Ų | 24.5 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.9 | -179.6 | -62.8 | 174.8 | -167.4 | 0 | 0 | 110.3 | K79 T101 I102 F107 D121 | K79-E105 WeakPolarHBondContact CE-OE1 3.42Å; K79-E105 WeakPolarHBondContact CE-OE2 3.23Å; K79-E105 IonicContact NZ-OE1 3.16Å; K79-E105 PolarHBondContact NZ-OE1 3.31Å; K79-E105 IonicContact NZ-OE2 2.76Å; K79-E105 PolarHBondContact NZ-OE2 2.63Å; T101-E105 VanDerWaalsContact CA-O 3.26Å; T101-E105 WeakPolarHBondContact CA-O 3.25Å; I102-E105 PolarHBondContact N-O 3.46Å; I102-E105 PolarHBondContact O-N 3.32Å; I102-E105 VanDerWaalsContact O-N 3.08Å; E105-F107 HydrophobicContact CB-CE2 3.88Å; E105-F107 HydrophobicContact CB-CZ 4.37Å; E105-F107 VanDerWaalsContact OE2-CZ 3.27Å; E105-F107 WeakPolarHBondContact OE2-CZ 3.18Å; E105-D121 HydrophobicContact CG-CB 4.22Å |
| 106 | I | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132 | 169.7 | -174.8 | 172.7 | 0 | 0 | 0 | 110.1 | W99 T101 M108 Y119 Y120 I127 V130 L148 L150 | W99-I106 HydrophobicContact CB-CD1 4.4Å; T101-I106 HydrophobicContact CG2-CB 4.07Å; T101-I106 HydrophobicContact CG2-CD1 4.29Å; T101-I106 HydrophobicContact CG2-CG1 4.01Å; I106-M108 HydrophobicContact CD1-CG 4.44Å; I106-M108 HydrophobicContact CG1-CG 4.28Å; I106-Y119 CarbonylContact O-C 3.47Å; I106-Y119 VanDerWaalsContact O-CA 3.25Å; I106-Y119 WeakPolarHBondContact O-CA 3.36Å; I106-Y120 HydrophobicContact CG2-CD1 4.3Å; I106-Y120 HydrophobicContact CG2-CG 4.45Å; I106-Y120 PolarHBondContact N-O 3.42Å; I106-Y120 VanDerWaalsContact N-O 3.08Å; I106-Y120 PolarHBondContact O-N 3.41Å; I106-I127 HydrophobicContact CB-CD1 4.17Å; I106-V130 HydrophobicContact CD1-CG1 3.84Å; I106-V130 HydrophobicContact CD1-CG2 4.29Å; I106-L148 HydrophobicContact CD1-CD1 4.28Å; I106-L148 HydrophobicContact CD1-CD2 4.45Å; I106-L150 HydrophobicContact CD1-CD2 3.92Å; I106-L150 HydrophobicContact CG2-CD1 4.32Å |
| 107 | F | 91.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 27.7 Ų | 27.7 | 7% | 0.066 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.8 | 174.4 | -60.3 | -97.5 | 0 | 0 | 0 | 109.3 | L76 K79 W99 V100 I102 E105 L117 A118 Y119 | L76-F107 HydrophobicContact CD2-CB 3.71Å; L76-F107 HydrophobicContact CD2-CD1 3.73Å; L76-F107 HydrophobicContact CD2-CD2 3.57Å; L76-F107 HydrophobicContact CD2-CE1 4.23Å; L76-F107 HydrophobicContact CD2-CE2 4.09Å; L76-F107 HydrophobicContact CD2-CG 3.39Å; L76-F107 HydrophobicContact CD2-CZ 4.4Å; K79-F107 HydrophobicContact CG-CE2 4.48Å; K79-F107 HydrophobicContact CG-CZ 4.25Å; W99-F107 CarbonylContact C-O 3.43Å; W99-F107 WeakPolarHBondContact CA-O 3.12Å; V100-F107 HydrophobicContact CG1-CB 3.94Å; V100-F107 HydrophobicContact CG1-CD2 4.24Å; V100-F107 HydrophobicContact CG1-CG 4.47Å; V100-F107 PolarHBondContact N-O 3.11Å; V100-F107 PolarHBondContact O-N 2.91Å; I102-F107 HydrophobicContact CD1-CE2 4.23Å; E105-F107 HydrophobicContact CB-CE2 3.88Å; E105-F107 HydrophobicContact CB-CZ 4.37Å; E105-F107 VanDerWaalsContact OE2-CZ 3.27Å; E105-F107 WeakPolarHBondContact OE2-CZ 3.18Å; F107-L117 HydrophobicContact CB-CD1 4.21Å; F107-L117 HydrophobicContact CD1-CD1 4.42Å; F107-A118 CarbonylContact C-O 3.5Å; F107-A118 WeakPolarHBondContact CA-O 3.08Å; F107-Y119 HydrophobicContact CE1-CG 4.44Å |
| 108 | M | 91.2 | Very high | 87 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.8 | 179 | -55.9 | 179.9 | -71.4 | 0 | 0 | 110.1 | F92 K97 V98 W99 I106 L117 A118 M161 V183 | F92-M108 HydrophobicContact CD2-SD 4.39Å; F92-M108 HydrophobicContact CE2-SD 3.98Å; K97-M108 HydrophobicContact CB-CB 4.44Å; V98-M108 CarbonylContact O-C 3.58Å; V98-M108 WeakPolarHBondContact O-CA 3.03Å; W99-M108 HydrophobicContact CB-CG 3.9Å; I106-M108 HydrophobicContact CD1-CG 4.44Å; I106-M108 HydrophobicContact CG1-CG 4.28Å; M108-L117 CarbonylContact O-C 3.5Å; M108-L117 WeakPolarHBondContact O-CA 3.37Å; M108-A118 PolarHBondContact N-O 2.85Å; M108-A118 PolarHBondContact O-N 2.88Å; M108-M161 HydrophobicContact CE-CE 3.95Å; M108-M161 HydrophobicContact SD-CE 3.94Å; M108-V183 HydrophobicContact CE-CG2 3.5Å; M108-V183 VanDerWaalsContact CE-CG2 3.5Å |
| 109 | W | 89.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 160.1 | 177.2 | 64 | 95.8 | 0 | 0 | 0 | 111.1 | L72 P73 L76 K97 V98 V100 F111 D116 L117 V581 | L72-W109 HydrophobicContact CD2-CH2 4.18Å; L72-W109 HydrophobicContact CD2-CZ2 3.98Å; P73-W109 HydrophobicContact CG-CD2 3.99Å; P73-W109 HydrophobicContact CG-CE3 4.39Å; P73-W109 HydrophobicContact CG-CG 4.11Å; L76-W109 HydrophobicContact CD1-CE3 4.21Å; L76-W109 HydrophobicContact CD1-CH2 3.82Å; L76-W109 HydrophobicContact CD1-CZ3 3.65Å; K97-W109 CarbonylContact C-O 3.52Å; K97-W109 WeakPolarHBondContact CA-O 3.31Å; K97-W109 VanDerWaalsContact CD-C 3.47Å; K97-W109 WeakPolarHBondContact CD-O 3.13Å; V98-W109 HydrophobicContact CB-CD2 4.1Å; V98-W109 HydrophobicContact CB-CH2 4.25Å; V98-W109 HydrophobicContact CB-CZ2 3.74Å; V98-W109 HydrophobicContact CG1-CD2 4.4Å; V98-W109 HydrophobicContact CG1-CH2 3.5Å; V98-W109 HydrophobicContact CG1-CZ2 3.23Å; V98-W109 HydrophobicContact CG1-CZ3 4.17Å; V98-W109 PolarHBondContact N-O 2.89Å; V98-W109 PolarHBondContact O-N 3.36Å; V100-W109 HydrophobicContact CB-CH2 4.23Å; V100-W109 HydrophobicContact CB-CZ3 4.16Å; V100-W109 HydrophobicContact CG1-CH2 4.19Å; V100-W109 HydrophobicContact CG1-CZ3 3.81Å; W109-F111 PolarHBondContact O-N 3.18Å; W109-D116 WeakPolarHBondContact CA-O 3.41Å; W109-L117 HydrophobicContact CB-CB 4.38Å; W109-L117 HydrophobicContact CB-CD1 4.04Å; W109-L117 HydrophobicContact CE3-CD1 4.06Å; W109-V581 HydrophobicContact CZ2-CG2 4.28Å |
| 110 | N | 86.8 | Confident | 86.8 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.1 | 178.3 | -175.3 | -4.1 | 0 | 0 | 0 | 110.4 | E96 E112 D113 G114 E115 | E96-N110 WeakPolarHBondContact O-CA 3.45Å; E96-N110 PolarHBondContact O-OD1 3.26Å; N110-E112 VanDerWaalsContact C-N 3.33Å; N110-E112 PolarHBondContact O-N 3.07Å; N110-E112 WeakPolarHBondContact OD1-CB 3.37Å; N110-E112 PolarHBondContact OD1-N 2.88Å; N110-D113 PolarHBondContact ND2-OD2 3.23Å; N110-G114 VanDerWaalsContact O-CA 3.29Å; N110-G114 WeakPolarHBondContact O-CA 2.98Å; N110-G114 PolarHBondContact O-N 3.32Å; N110-E115 VanDerWaalsContact CB-O 3.26Å; N110-E115 WeakPolarHBondContact CB-O 3.32Å; N110-E115 PolarHBondContact N-O 3.02Å |
| 111 | F | 83.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -19.9 | 178.9 | 67.9 | -125.1 | 0 | 0 | 0 | 113.9 | V91 E96 V98 W109 L514 L574 H583 | V91-F111 HydrophobicContact CG1-CD1 3.98Å; V91-F111 HydrophobicContact CG1-CE1 4.22Å; E96-F111 VanDerWaalsContact C-CE1 3.47Å; E96-F111 HydrophobicContact CB-CD1 4.48Å; E96-F111 HydrophobicContact CB-CE1 4Å; E96-F111 HydrophobicContact CB-CZ 3.98Å; E96-F111 HydrophobicContact CG-CE1 4.34Å; E96-F111 HydrophobicContact CG-CZ 3.97Å; E96-F111 WeakPolarHBondContact O-CD1 3.46Å; E96-F111 PolarHBondContact O-N 2.61Å; E96-F111 VanDerWaalsContact O-N 3.08Å; V98-F111 HydrophobicContact CG2-CB 3.39Å; W109-F111 PolarHBondContact O-N 3.18Å; F111-L514 HydrophobicContact CD2-CD1 4.39Å; F111-L514 HydrophobicContact CE1-CD2 3.9Å; F111-L514 HydrophobicContact CE2-CD1 3.91Å; F111-L514 HydrophobicContact CE2-CD2 3.99Å; F111-L514 HydrophobicContact CZ-CD1 4.36Å; F111-L514 HydrophobicContact CZ-CD2 3.65Å; F111-L574 HydrophobicContact CB-CD1 4.44Å; F111-L574 HydrophobicContact CB-CD2 4.12Å; F111-L574 HydrophobicContact CD2-CD1 4.45Å; F111-L574 HydrophobicContact CG-CD2 4.48Å; F111-H583 AromaticContact CD2-CE1 3.99Å; F111-H583 PolarHBondContact O-CE1 3.24Å; F111-H583 PolarHBondContact O-NE2 3.07Å |
| 112 | E | 80.9 | Confident | 86.6 | Confident | 21 Ų | 21 | 41 Ų | 41 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -41.3 | -178.3 | -75 | -66.1 | 163.2 | 0 | 0 | 113.2 | F70 N110 N517 R572 H583 | F70-E112 WeakPolarHBondContact CE2-O 3.21Å; F70-E112 WeakPolarHBondContact CZ-O 3.44Å; N110-E112 VanDerWaalsContact C-N 3.33Å; N110-E112 PolarHBondContact O-N 3.07Å; N110-E112 WeakPolarHBondContact OD1-CB 3.37Å; N110-E112 PolarHBondContact OD1-N 2.88Å; E112-N517 PolarHBondContact OE1-ND2 3.47Å; E112-R572 IonicContact OE1-CZ 3.13Å; E112-R572 IonicContact OE1-NH1 2.72Å; E112-R572 PolarHBondContact OE1-NH1 2.94Å; E112-R572 IonicContact OE1-NH2 2.85Å; E112-R572 PolarHBondContact OE1-NH2 3.08Å; E112-R572 IonicContact OE2-CZ 2.77Å; E112-R572 IonicContact OE2-NH1 3.11Å; E112-R572 IonicContact OE2-NH2 2.64Å; E112-R572 PolarHBondContact OE2-NH2 3.24Å; E112-H583 IonicContact OE2-CE1 3.49Å |
| 113 | D | 79.6 | Confident | 86.6 | Confident | 84 Ų | 84 | 40.9 Ų | 40.9 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -16.8 | -167.1 | -46.2 | -38.6 | 0 | 0 | 0 | 112.3 | N110 E115 | N110-D113 PolarHBondContact ND2-OD2 3.23Å; D113-E115 HydrophobicContact CB-CB 4.49Å; D113-E115 HydrophobicContact CB-CG 4.26Å; D113-E115 PolarHBondContact O-N 3.27Å |
| 114 | G | 77.7 | Confident | 86.5 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 79.9 | -0.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N110 | N110-G114 VanDerWaalsContact O-CA 3.29Å; N110-G114 WeakPolarHBondContact O-CA 2.98Å; N110-G114 PolarHBondContact O-N 3.32Å |
| 115 | E | 79.4 | Confident | 86.5 | Confident | 141 Ų | 141 | 47.3 Ų | 47.3 | 66% | 0.659 | 25% | 0.251 | S | S | * | . | trans | -89.6 | -178.5 | -178.3 | -59.7 | -168.2 | 168.5 | 0 | 0 | 112.6 | N110 D113 | N110-E115 VanDerWaalsContact CB-O 3.26Å; N110-E115 WeakPolarHBondContact CB-O 3.32Å; N110-E115 PolarHBondContact N-O 3.02Å; D113-E115 HydrophobicContact CB-CB 4.49Å; D113-E115 HydrophobicContact CB-CG 4.26Å; D113-E115 PolarHBondContact O-N 3.27Å | ||
| 116 | D | 80.6 | Confident | 86.6 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | trans | 57.2 | 53.3 | 178.2 | -167.5 | 32.2 | 0 | 0 | 0 | 113.2 | K97 W109 A118 | K97-D116 PolarHBondContact NZ-O 3.32Å; K97-D116 IonicContact NZ-OD2 3.84Å; K97-D116 PolarHBondContact NZ-OD2 2.91Å; W109-D116 WeakPolarHBondContact CA-O 3.41Å; D116-A118 PolarHBondContact O-N 3.28Å | ||
| 117 | L | 85.2 | Confident | 86.6 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 29% | 0.293 | 26% | 0.255 | S | S | . | . | trans | -71.3 | 112.9 | 173 | -179.3 | 68.6 | 0 | 0 | 0 | 109.7 | P73 D75 F107 M108 W109 | P73-L117 HydrophobicContact CB-CD2 4.16Å; P73-L117 HydrophobicContact CG-CD1 4.35Å; D75-L117 HydrophobicContact CB-CD2 4.1Å; D75-L117 WeakPolarHBondContact OD2-CD2 3.3Å; F107-L117 HydrophobicContact CB-CD1 4.21Å; F107-L117 HydrophobicContact CD1-CD1 4.42Å; M108-L117 CarbonylContact O-C 3.5Å; M108-L117 WeakPolarHBondContact O-CA 3.37Å; W109-L117 HydrophobicContact CB-CB 4.38Å; W109-L117 HydrophobicContact CB-CD1 4.04Å; W109-L117 HydrophobicContact CE3-CD1 4.06Å | ||
| 118 | A | 86.3 | Confident | 86.7 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 24% | 0.24 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 148.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F107 M108 D116 | F107-A118 CarbonylContact C-O 3.5Å; F107-A118 WeakPolarHBondContact CA-O 3.08Å; M108-A118 PolarHBondContact N-O 2.85Å; M108-A118 PolarHBondContact O-N 2.88Å; D116-A118 PolarHBondContact O-N 3.28Å |
| 119 | Y | 87.4 | Confident | 86.8 | Confident | 151 Ų | 151 | 47.8 Ų | 47.8 | 59% | 0.592 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.2 | 172.1 | 69.3 | -87.1 | 0 | 0 | 0 | 110.4 | I106 F107 D121 | I106-Y119 CarbonylContact O-C 3.47Å; I106-Y119 VanDerWaalsContact O-CA 3.25Å; I106-Y119 WeakPolarHBondContact O-CA 3.36Å; F107-Y119 HydrophobicContact CE1-CG 4.44Å; Y119-D121 HydrophobicContact CD2-CB 4.43Å |
| 120 | Y | 90.7 | Very high | 87 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 120.9 | 172.7 | -179.4 | -92.9 | 0 | 0 | 0 | 109 | I106 V123 L150 L159 V183 P185 | I106-Y120 HydrophobicContact CG2-CD1 4.3Å; I106-Y120 HydrophobicContact CG2-CG 4.45Å; I106-Y120 PolarHBondContact N-O 3.42Å; I106-Y120 VanDerWaalsContact N-O 3.08Å; I106-Y120 PolarHBondContact O-N 3.41Å; Y120-V123 HydrophobicContact CD1-CG2 4.13Å; Y120-V123 HydrophobicContact CE1-CG2 3.7Å; Y120-L150 HydrophobicContact CD1-CD1 4.11Å; Y120-L150 HydrophobicContact CE1-CD1 4.25Å; Y120-L159 HydrophobicContact CD1-CD1 4Å; Y120-L159 HydrophobicContact CE1-CD1 3.58Å; Y120-L159 HydrophobicContact CE1-CD2 4.37Å; Y120-L159 HydrophobicContact CE2-CD1 4.14Å; Y120-L159 HydrophobicContact CE2-CD2 3.98Å; Y120-L159 HydrophobicContact CG-CD1 4.45Å; Y120-L159 VanDerWaalsContact OH-CD2 3.32Å; Y120-L159 WeakPolarHBondContact OH-CD2 3.49Å; Y120-V183 HydrophobicContact CD2-CG1 4.22Å; Y120-P185 WeakPolarHBondContact CE2-O 3.42Å; Y120-P185 PolarHBondContact OH-O 3.04Å |
| 121 | D | 89.3 | Confident | 87.4 | Confident | 94 Ų | 94 | 48.2 Ų | 48.2 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | trans | -117.4 | 12.3 | -175.6 | 63.5 | -15.3 | 0 | 0 | 0 | 112.5 | E105 Y119 V123 | E105-D121 HydrophobicContact CG-CB 4.22Å; Y119-D121 HydrophobicContact CD2-CB 4.43Å; D121-V123 PolarHBondContact O-N 2.66Å | ||
| 122 | G | 87.6 | Confident | 87.8 | Confident | 29 Ų | 29 | 49 Ų | 49 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | trans | -71.8 | -10.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 123 | V | 89.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | trans | -89.4 | 129.1 | 178.9 | -167.5 | 0 | 0 | 0 | 0 | 110.1 | N104 Y120 D121 D125 I127 L150 T152 | N104-V123 WeakPolarHBondContact CB-O 3.41Å; N104-V123 PolarHBondContact ND2-O 3.32Å; Y120-V123 HydrophobicContact CD1-CG2 4.13Å; Y120-V123 HydrophobicContact CE1-CG2 3.7Å; D121-V123 PolarHBondContact O-N 2.66Å; V123-D125 VanDerWaalsContact CG1-O 3.29Å; V123-D125 WeakPolarHBondContact CG1-O 3.46Å; V123-I127 HydrophobicContact CB-CG1 4.42Å; V123-I127 HydrophobicContact CG1-CG1 4.26Å; V123-I127 HydrophobicContact CG2-CD1 4.28Å; V123-I127 HydrophobicContact CG2-CG1 4.44Å; V123-L150 HydrophobicContact CG2-CD1 3.71Å; V123-T152 HydrophobicContact CG1-CG2 3.33Å | ||
| 124 | N | 87.5 | Confident | 88.8 | Confident | 139 Ų | 139 | 44.4 Ų | 44.4 | 74% | 0.743 | 24% | 0.242 | S | C | * | . | trans | -83.3 | -38.1 | 179.5 | -64.5 | -41 | 0 | 0 | 0 | 113 | ||||
| 125 | D | 90.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -92.3 | 156 | -177.3 | -74.1 | -12.5 | 0 | 0 | 0 | 111.1 | N104 V123 I127 T152 S154 | N104-D125 VanDerWaalsContact CB-O 3.26Å; N104-D125 WeakPolarHBondContact CB-O 3.45Å; V123-D125 VanDerWaalsContact CG1-O 3.29Å; V123-D125 WeakPolarHBondContact CG1-O 3.46Å; D125-I127 PolarHBondContact O-N 3.44Å; D125-T152 HydrophobicContact CB-CG2 3.93Å; D125-S154 VanDerWaalsContact OD2-CB 3.31Å; D125-S154 WeakPolarHBondContact OD2-CB 3.35Å; D125-S154 PolarHBondContact OD2-OG 2.93Å |
| 126 | T | 91.7 | Very high | 89.5 | Confident | 42 Ų | 42 | 37.6 Ų | 37.6 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -54.8 | 129.5 | 174.9 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | N86 D103 P153 | N86-T126 HydrophobicContact CB-CG2 3.94Å; D103-T126 CarbonylContact O-C 3.57Å; D103-T126 WeakPolarHBondContact O-CA 3.47Å; T126-P153 WeakPolarHBondContact O-CD 3.5Å |
| 127 | I | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 124.9 | 174.6 | -59.8 | 168.7 | 0 | 0 | 0 | 108.8 | N86 T101 D103 N104 I106 V123 D125 V130 L150 | N86-I127 PolarHBondContact ND2-O 3.18Å; T101-I127 HydrophobicContact CG2-CB 4.26Å; T101-I127 HydrophobicContact CG2-CD1 4.26Å; T101-I127 HydrophobicContact CG2-CG2 3.92Å; D103-I127 PolarHBondContact O-N 3.32Å; N104-I127 WeakPolarHBondContact O-CD1 3.44Å; I106-I127 HydrophobicContact CB-CD1 4.17Å; V123-I127 HydrophobicContact CB-CG1 4.42Å; V123-I127 HydrophobicContact CG1-CG1 4.26Å; V123-I127 HydrophobicContact CG2-CD1 4.28Å; V123-I127 HydrophobicContact CG2-CG1 4.44Å; D125-I127 PolarHBondContact O-N 3.44Å; I127-V130 HydrophobicContact CG2-CG2 3.52Å; I127-L150 HydrophobicContact CD1-CD1 4.25Å; I127-L150 HydrophobicContact CG2-CD2 4.47Å |
| 128 | I | 92.8 | Very high | 88.9 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | trans | -110.2 | -22.5 | -175.5 | 59.2 | 168.9 | 0 | 0 | 0 | 113.3 | L88 A151 P153 Y197 I198 | L88-I128 VanDerWaalsContact CD1-C 3.49Å; L88-I128 VanDerWaalsContact CD1-O 3.23Å; L88-I128 WeakPolarHBondContact CD1-O 3.11Å; I128-A151 HydrophobicContact CG1-CB 4.17Å; I128-A151 WeakPolarHBondContact CG1-O 3.42Å; I128-A151 PolarHBondContact N-O 3.24Å; I128-P153 HydrophobicContact CG2-CG 4.1Å; I128-Y197 HydrophobicContact CB-CE1 4.24Å; I128-Y197 HydrophobicContact CB-CE2 4.48Å; I128-Y197 HydrophobicContact CD1-CD1 4.07Å; I128-Y197 HydrophobicContact CD1-CD2 3.99Å; I128-Y197 HydrophobicContact CD1-CE1 3.96Å; I128-Y197 HydrophobicContact CD1-CE2 3.87Å; I128-Y197 HydrophobicContact CD1-CG 4.1Å; I128-Y197 HydrophobicContact CG2-CE1 4.45Å; I128-Y197 HydrophobicContact CG2-CE2 3.93Å; I128-Y197 WeakPolarHBondContact CG2-OH 3.02Å; I128-I198 HydrophobicContact CD1-CB 4.46Å; I128-I198 WeakPolarHBondContact CD1-O 3.37Å | ||
| 129 | S | 93.2 | Very high | 88.7 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 146.4 | 173 | -174 | 0 | 0 | 0 | 0 | 110.7 | A151 I201 | S129-A151 PolarHBondContact N-O 2.83Å; S129-A151 PolarHBondContact O-N 2.96Å; S129-I201 WeakPolarHBondContact OG-CG1 3.24Å |
| 130 | V | 94.3 | Very high | 88.5 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.3 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | F92 W99 T101 I106 I127 L148 C149 L150 | F92-V130 HydrophobicContact CE1-CG1 4.23Å; F92-V130 HydrophobicContact CZ-CG1 3.6Å; W99-V130 HydrophobicContact CD2-CG1 4.17Å; W99-V130 HydrophobicContact CE3-CB 4.3Å; W99-V130 HydrophobicContact CE3-CG1 4.25Å; W99-V130 HydrophobicContact CE3-CG2 4.36Å; W99-V130 HydrophobicContact CH2-CB 3.75Å; W99-V130 HydrophobicContact CH2-CG1 4.33Å; W99-V130 HydrophobicContact CH2-CG2 4.23Å; W99-V130 HydrophobicContact CZ2-CB 4.01Å; W99-V130 HydrophobicContact CZ2-CG1 4.22Å; W99-V130 HydrophobicContact CZ3-CB 3.89Å; W99-V130 HydrophobicContact CZ3-CG1 4.33Å; W99-V130 HydrophobicContact CZ3-CG2 3.93Å; T101-V130 HydrophobicContact CG2-CG2 3.56Å; I106-V130 HydrophobicContact CD1-CG1 3.84Å; I106-V130 HydrophobicContact CD1-CG2 4.29Å; I127-V130 HydrophobicContact CG2-CG2 3.52Å; V130-L148 HydrophobicContact CG1-CD1 4.1Å; V130-C149 WeakPolarHBondContact CA-O 3.35Å; V130-L150 HydrophobicContact CB-CD2 4.38Å; V130-L150 HydrophobicContact CG1-CD2 4Å; V130-L150 HydrophobicContact CG2-CD2 3.81Å |
| 131 | S | 93.4 | Very high | 88 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 151.2 | 171.6 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | C149 I201 | S131-C149 PolarHBondContact N-O 2.96Å; S131-C149 PolarHBondContact O-N 3.07Å; S131-I201 WeakPolarHBondContact CB-O 3.18Å; S131-I201 PolarHBondContact OG-O 3.1Å |
| 132 | L | 93.1 | Very high | 87.4 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.7 | 173.6 | -170.9 | 77.2 | 0 | 0 | 0 | 109 | F92 L94 C95 F146 M161 S203 | F92-L132 HydrophobicContact CB-CD2 4.06Å; F92-L132 HydrophobicContact CD1-CB 3.56Å; F92-L132 HydrophobicContact CD1-CD2 4.46Å; F92-L132 HydrophobicContact CD1-CG 4.48Å; F92-L132 HydrophobicContact CE1-CB 3.67Å; F92-L132 HydrophobicContact CG-CB 4.08Å; F92-L132 HydrophobicContact CG-CD2 4.25Å; F92-L132 HydrophobicContact CZ-CB 4.27Å; L94-L132 HydrophobicContact CB-CD2 3.96Å; L94-L132 HydrophobicContact CD1-CD2 4.38Å; C95-L132 HydrophobicContact CB-CD2 4.42Å; L132-F146 HydrophobicContact CD1-CB 3.69Å; L132-F146 HydrophobicContact CD1-CG 4.19Å; L132-F146 HydrophobicContact CD2-CD1 4.05Å; L132-F146 HydrophobicContact CD2-CE1 4.47Å; L132-F146 HydrophobicContact CD2-CG 4.28Å; L132-F146 HydrophobicContact CG-CB 4.22Å; L132-F146 HydrophobicContact CG-CD1 4.36Å; L132-F146 HydrophobicContact CG-CG 4.42Å; L132-M161 HydrophobicContact CD1-SD 3.54Å; L132-M161 VanDerWaalsContact CD1-SD 3.54Å; L132-S203 PolarHBondContact O-OG 3.05Å |
| 133 | I | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.7 | -177.5 | -63 | 145.7 | 0 | 0 | 0 | 109.2 | L147 C149 L158 I209 | I133-L147 HydrophobicContact CB-CB 4.1Å; I133-L147 HydrophobicContact CG2-CD1 4.5Å; I133-L147 PolarHBondContact N-O 3.45Å; I133-L147 PolarHBondContact O-N 3.46Å; I133-C149 HydrophobicContact CD1-CB 3.35Å; I133-C149 HydrophobicContact CG1-CB 4.5Å; I133-L158 HydrophobicContact CD1-CD2 3.54Å; I133-I209 HydrophobicContact CD1-CD1 3.61Å; I133-I209 HydrophobicContact CD1-CG1 3.79Å; I133-I209 HydrophobicContact CD1-CG2 4.15Å; I133-I209 HydrophobicContact CG1-CD1 4.37Å; I133-I209 HydrophobicContact CG1-CG1 4.07Å; I133-I209 HydrophobicContact CG2-CD1 4.23Å; I133-I209 HydrophobicContact CG2-CG1 3.95Å |
| 134 | V | 89.2 | Confident | 86.9 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -85.6 | 122.4 | 167.2 | -174 | 0 | 0 | 0 | 0 | 108.8 | L94 F146 G207 V524 | L94-V134 HydrophobicContact CD1-CG2 3.77Å; V134-F146 HydrophobicContact CG2-CD1 4.46Å; V134-G207 WeakPolarHBondContact O-CA 3.43Å; V134-V524 HydrophobicContact CB-CG1 4.44Å; V134-V524 HydrophobicContact CG1-CB 4.16Å; V134-V524 HydrophobicContact CG1-CG1 3.5Å; V134-V524 HydrophobicContact CG1-CG2 3.62Å |
| 135 | P | 86.7 | Confident | 86.8 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 145.8 | -178.6 | 24.6 | -32.7 | 0 | 0 | 0 | 111.7 | V137 L140 K145 L147 Y223 | P135-V137 PolarHBondContact O-N 2.75Å; P135-L140 HydrophobicContact CB-CD1 3.95Å; P135-K145 VanDerWaalsContact CD-O 3.25Å; P135-K145 WeakPolarHBondContact CD-O 3.37Å; P135-L147 HydrophobicContact CB-CD1 4.09Å; P135-L147 HydrophobicContact CB-CG 4.27Å; P135-Y223 WeakPolarHBondContact CA-OH 3.31Å |
| 136 | S | 85.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 130.4 | 177.4 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | G138 T139 N206 Y223 I302 | S136-G138 PolarHBondContact O-N 2.83Å; S136-T139 WeakPolarHBondContact CB-OG1 3.5Å; S136-T139 WeakPolarHBondContact O-CB 3.36Å; S136-T139 PolarHBondContact O-N 2.85Å; S136-T139 PolarHBondContact O-OG1 3.49Å; S136-T139 WeakPolarHBondContact OG-CB 3.44Å; S136-T139 PolarHBondContact OG-OG1 2.78Å; S136-N206 VanDerWaalsContact CB-O 3.31Å; S136-N206 WeakPolarHBondContact CB-O 3.49Å; S136-Y223 PolarHBondContact N-OH 3.49Å; S136-Y223 WeakPolarHBondContact OG-CE2 3.16Å; S136-Y223 PolarHBondContact OG-OH 3.29Å; S136-I302 VanDerWaalsContact CB-CD1 3.48Å |
| 137 | V | 77.8 | Confident | 86.8 | Confident | 130 Ų | 130 | 30.5 Ų | 30.5 | 79% | 0.788 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 124.7 | -176.4 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | P135 T139 | P135-V137 PolarHBondContact O-N 2.75Å; V137-T139 VanDerWaalsContact C-N 3.34Å; V137-T139 PolarHBondContact O-N 3.35Å |
| 138 | G | 74.3 | Confident | 86.9 | Confident | 77 Ų | 77 | 30.5 Ų | 30.5 | 79% | 0.794 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 4.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | S136 | S136-G138 PolarHBondContact O-N 2.83Š|
| 139 | T | 82.3 | Confident | 87 | Confident | 26 Ų | 26 | 30 Ų | 30 | 16% | 0.16 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -37.2 | 178.2 | -47.9 | 0 | 0 | 0 | 0 | 112.3 | S136 V137 Y223 S225 | S136-T139 WeakPolarHBondContact CB-OG1 3.5Å; S136-T139 WeakPolarHBondContact O-CB 3.36Å; S136-T139 PolarHBondContact O-N 2.85Å; S136-T139 PolarHBondContact O-OG1 3.49Å; S136-T139 WeakPolarHBondContact OG-CB 3.44Å; S136-T139 PolarHBondContact OG-OG1 2.78Å; V137-T139 VanDerWaalsContact C-N 3.34Å; V137-T139 PolarHBondContact O-N 3.35Å; T139-Y223 HydrophobicContact CG2-CD2 4.06Å; T139-Y223 HydrophobicContact CG2-CE2 4.13Å; T139-S225 VanDerWaalsContact O-CA 3.24Å; T139-S225 WeakPolarHBondContact O-CA 3.3Å; T139-S225 VanDerWaalsContact O-CB 3.32Å; T139-S225 WeakPolarHBondContact O-CB 3.41Å |
| 140 | L | 83.6 | Confident | 87.1 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -120.7 | 159.6 | 177.1 | -71.6 | 169.6 | 0 | 0 | 0 | 110.2 | P135 L147 Y189 Y223 I226 W229 | P135-L140 HydrophobicContact CB-CD1 3.95Å; L140-L147 HydrophobicContact CD1-CD1 3.86Å; L140-L147 HydrophobicContact CD1-CD2 3.79Å; L140-L147 HydrophobicContact CD1-CG 4.16Å; L140-Y189 HydrophobicContact CD1-CE2 4.47Å; L140-Y189 HydrophobicContact CD2-CE2 4.39Å; L140-Y223 HydrophobicContact CD1-CE2 4.5Å; L140-I226 HydrophobicContact CD2-CD1 4.32Å; L140-I226 HydrophobicContact CD2-CG1 4.27Å; L140-W229 HydrophobicContact CD2-CE3 4.38Å; L140-W229 HydrophobicContact CD2-CZ3 3.86Å |
| 141 | P | 81.3 | Confident | 87.1 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 13% | 0.13 | 17% | 0.171 | C | C | . | . | trans | -58.2 | 145.2 | 174.5 | -25.4 | 35.9 | 0 | 0 | 0 | 113 | H143 I144 W229 | P141-H143 WeakPolarHBondContact CB-CE1 3.35Å; P141-H143 VanDerWaalsContact CB-ND1 3.33Å; P141-H143 WeakPolarHBondContact CB-ND1 3.38Å; P141-H143 PolarHBondContact O-N 3.29Å; P141-H143 VanDerWaalsContact O-N 3.13Å; P141-I144 PolarHBondContact O-N 2.85Å; P141-W229 HydrophobicContact CG-CD2 3.66Å; P141-W229 HydrophobicContact CG-CE3 3.73Å; P141-W229 HydrophobicContact CG-CG 4.35Å; P141-W229 HydrophobicContact CG-CH2 4.16Å; P141-W229 HydrophobicContact CG-CZ2 3.97Å; P141-W229 HydrophobicContact CG-CZ3 4Å | ||
| 142 | E | 74.8 | Confident | 87.1 | Confident | 117 Ų | 117 | 28.3 Ų | 28.3 | 55% | 0.547 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.5 | -175.7 | -68.6 | -173.4 | 177.6 | 0 | 0 | 115 | I144 S773 | E142-I144 PolarHBondContact O-N 3.31Å; E142-S773 WeakPolarHBondContact OE2-CB 3.26Å; E142-S773 PolarHBondContact OE2-OG 3.08Å |
| 143 | H | 81.3 | Confident | 86.9 | Confident | 48 Ų | 48 | 30.1 Ų | 30.1 | 22% | 0.222 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.1 | 175.2 | 64.9 | -105.6 | 0 | 0 | 0 | 112 | P141 K145 M162 W229 G231 | P141-H143 WeakPolarHBondContact CB-CE1 3.35Å; P141-H143 VanDerWaalsContact CB-ND1 3.33Å; P141-H143 WeakPolarHBondContact CB-ND1 3.38Å; P141-H143 PolarHBondContact O-N 3.29Å; P141-H143 VanDerWaalsContact O-N 3.13Å; H143-K145 PolarHBondContact O-N 2.82Å; H143-M162 VanDerWaalsContact O-CB 3.23Å; H143-M162 WeakPolarHBondContact O-CB 3.22Å; H143-W229 AromaticContact CE1-CZ2 3.83Å; H143-W229 AromaticContact NE2-CZ2 3.54Å; H143-G231 PolarHBondContact ND1-O 3.38Å |
| 144 | I | 86.5 | Confident | 86.9 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | trans | -81.7 | 104.5 | 170 | -61.7 | -174.9 | 0 | 0 | 0 | 108.1 | P141 E142 F146 L147 M184 L188 W229 | P141-I144 PolarHBondContact O-N 2.85Å; E142-I144 PolarHBondContact O-N 3.31Å; I144-F146 VanDerWaalsContact CG2-O 3.28Å; I144-F146 WeakPolarHBondContact CG2-O 3.44Å; I144-L147 HydrophobicContact CG2-CD2 4.25Å; I144-M184 HydrophobicContact CD1-SD 4.12Å; I144-L188 HydrophobicContact CD1-CD1 3.64Å; I144-W229 HydrophobicContact CD1-CH2 3.27Å; I144-W229 HydrophobicContact CD1-CZ2 4.15Å; I144-W229 HydrophobicContact CD1-CZ3 3.89Å; I144-W229 HydrophobicContact CG1-CH2 4.37Å | ||
| 145 | K | 84.2 | Confident | 87 | Confident | 84 Ų | 84 | 36.1 Ų | 36.1 | 37% | 0.365 | 21% | 0.214 | S | C | . | . | trans | -82.3 | -35.2 | 179.5 | -67.8 | -62.1 | -171.1 | 173.4 | 0 | 112.2 | P135 H143 M161 Y163 D522 | P135-K145 VanDerWaalsContact CD-O 3.25Å; P135-K145 WeakPolarHBondContact CD-O 3.37Å; H143-K145 PolarHBondContact O-N 2.82Å; K145-M161 PolarHBondContact N-O 2.87Å; K145-Y163 HydrophobicContact CB-CD2 4.48Å; K145-Y163 HydrophobicContact CB-CE2 4.4Å; K145-Y163 HydrophobicContact CG-CD2 3.96Å; K145-Y163 HydrophobicContact CG-CE2 4.23Å; K145-D522 IonicContact NZ-OD1 3.84Å | ||
| 146 | F | 90.8 | Very high | 87.3 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 158.9 | -177.4 | -50 | -74.6 | 0 | 0 | 0 | 111.8 | L94 C95 L132 V134 I144 M161 Y163 | L94-F146 HydrophobicContact CB-CE1 3.86Å; L94-F146 HydrophobicContact CB-CZ 4.18Å; L94-F146 HydrophobicContact CD1-CE1 4.44Å; C95-F146 HydrophobicContact CB-CD2 4.04Å; C95-F146 HydrophobicContact CB-CE2 3.69Å; C95-F146 HydrophobicContact CB-CZ 4.22Å; L132-F146 HydrophobicContact CD1-CB 3.69Å; L132-F146 HydrophobicContact CD1-CG 4.19Å; L132-F146 HydrophobicContact CD2-CD1 4.05Å; L132-F146 HydrophobicContact CD2-CE1 4.47Å; L132-F146 HydrophobicContact CD2-CG 4.28Å; L132-F146 HydrophobicContact CG-CB 4.22Å; L132-F146 HydrophobicContact CG-CD1 4.36Å; L132-F146 HydrophobicContact CG-CG 4.42Å; V134-F146 HydrophobicContact CG2-CD1 4.46Å; I144-F146 VanDerWaalsContact CG2-O 3.28Å; I144-F146 WeakPolarHBondContact CG2-O 3.44Å; F146-M161 HydrophobicContact CB-CB 4.18Å; F146-M161 HydrophobicContact CB-SD 4.17Å; F146-M161 PolarHBondContact N-O 3.02Å; F146-M161 PolarHBondContact O-N 3.49Å; F146-Y163 HydrophobicContact CE2-CE2 4.06Å |
| 147 | L | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.8 | 168.2 | -66.9 | 171.5 | 0 | 0 | 0 | 108.9 | I133 P135 L140 I144 L158 L159 L188 Y223 | I133-L147 HydrophobicContact CB-CB 4.1Å; I133-L147 HydrophobicContact CG2-CD1 4.5Å; I133-L147 PolarHBondContact N-O 3.45Å; I133-L147 PolarHBondContact O-N 3.46Å; P135-L147 HydrophobicContact CB-CD1 4.09Å; P135-L147 HydrophobicContact CB-CG 4.27Å; L140-L147 HydrophobicContact CD1-CD1 3.86Å; L140-L147 HydrophobicContact CD1-CD2 3.79Å; L140-L147 HydrophobicContact CD1-CG 4.16Å; I144-L147 HydrophobicContact CG2-CD2 4.25Å; L147-L158 HydrophobicContact CB-CD2 4.01Å; L147-L158 HydrophobicContact CD1-CD2 4.38Å; L147-L159 CarbonylContact C-O 3.59Å; L147-L159 VanDerWaalsContact CA-O 3.28Å; L147-L159 WeakPolarHBondContact CA-O 3.45Å; L147-L188 HydrophobicContact CD2-CD1 3.74Å; L147-Y223 HydrophobicContact CD1-CE2 4.21Å |
| 148 | L | 94.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.6 | 171.3 | 177 | 65.6 | 0 | 0 | 0 | 108.5 | F92 I106 V130 L150 L158 L159 M161 V183 | F92-L148 HydrophobicContact CE2-CD1 3.87Å; F92-L148 HydrophobicContact CZ-CD1 3.71Å; I106-L148 HydrophobicContact CD1-CD1 4.28Å; I106-L148 HydrophobicContact CD1-CD2 4.45Å; V130-L148 HydrophobicContact CG1-CD1 4.1Å; L148-L150 HydrophobicContact CD1-CD2 4.1Å; L148-L150 HydrophobicContact CD2-CD1 4.45Å; L148-L150 HydrophobicContact CD2-CD2 4.26Å; L148-L150 HydrophobicContact CD2-CG 4.46Å; L148-L150 HydrophobicContact CG-CD2 3.98Å; L148-L150 HydrophobicContact CG-CG 4.18Å; L148-L158 WeakPolarHBondContact O-CA 3.2Å; L148-L159 HydrophobicContact CB-CB 4.22Å; L148-L159 HydrophobicContact CD2-CD1 4.15Å; L148-L159 PolarHBondContact N-O 3.47Å; L148-L159 PolarHBondContact O-N 3.04Å; L148-M161 HydrophobicContact CB-CG 4.05Å; L148-M161 HydrophobicContact CB-SD 3.85Å; L148-V183 HydrophobicContact CD2-CG1 4.38Å |
| 149 | C | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.5 | 177.3 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | V130 S131 I133 W157 L158 | V130-C149 WeakPolarHBondContact CA-O 3.35Å; S131-C149 PolarHBondContact N-O 2.96Å; S131-C149 PolarHBondContact O-N 3.07Å; I133-C149 HydrophobicContact CD1-CB 3.35Å; I133-C149 HydrophobicContact CG1-CB 4.5Å; C149-W157 CarbonylContact C-O 3.51Å; C149-W157 VanDerWaalsContact CA-O 3.28Å; C149-W157 WeakPolarHBondContact CA-O 3.24Å; C149-L158 HydrophobicContact CB-CD2 3.75Å |
| 150 | L | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122 | 176.5 | -52.4 | 177 | 0 | 0 | 0 | 108.3 | I106 Y120 V123 I127 V130 L148 W157 L159 | I106-L150 HydrophobicContact CD1-CD2 3.92Å; I106-L150 HydrophobicContact CG2-CD1 4.32Å; Y120-L150 HydrophobicContact CD1-CD1 4.11Å; Y120-L150 HydrophobicContact CE1-CD1 4.25Å; V123-L150 HydrophobicContact CG2-CD1 3.71Å; I127-L150 HydrophobicContact CD1-CD1 4.25Å; I127-L150 HydrophobicContact CG2-CD2 4.47Å; V130-L150 HydrophobicContact CB-CD2 4.38Å; V130-L150 HydrophobicContact CG1-CD2 4Å; V130-L150 HydrophobicContact CG2-CD2 3.81Å; L148-L150 HydrophobicContact CD1-CD2 4.1Å; L148-L150 HydrophobicContact CD2-CD1 4.45Å; L148-L150 HydrophobicContact CD2-CD2 4.26Å; L148-L150 HydrophobicContact CD2-CG 4.46Å; L148-L150 HydrophobicContact CG-CD2 3.98Å; L148-L150 HydrophobicContact CG-CG 4.18Å; L150-W157 HydrophobicContact CB-CB 4.28Å; L150-W157 PolarHBondContact N-O 3.34Å; L150-W157 PolarHBondContact O-N 3.48Å; L150-L159 HydrophobicContact CD1-CD1 3.68Å; L150-L159 HydrophobicContact CG-CD1 4.34Å |
| 151 | A | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | I128 S129 I198 I201 | I128-A151 HydrophobicContact CG1-CB 4.17Å; I128-A151 WeakPolarHBondContact CG1-O 3.42Å; I128-A151 PolarHBondContact N-O 3.24Å; S129-A151 PolarHBondContact N-O 2.83Å; S129-A151 PolarHBondContact O-N 2.96Å; A151-I198 HydrophobicContact CB-CB 3.94Å; A151-I198 HydrophobicContact CB-CD1 3.89Å; A151-I198 HydrophobicContact CB-CG2 4.05Å; A151-I201 HydrophobicContact CB-CD1 3.96Å |
| 152 | T | 93.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | trans | -110.1 | 171 | 166.3 | 72.3 | 0 | 0 | 0 | 0 | 109 | V123 D125 S154 E155 T193 | V123-T152 HydrophobicContact CG1-CG2 3.33Å; D125-T152 HydrophobicContact CB-CG2 3.93Å; T152-S154 PolarHBondContact O-N 3.1Å; T152-S154 PolarHBondContact OG1-N 3.47Å; T152-E155 PolarHBondContact N-O 2.81Å; T152-E155 PolarHBondContact OG1-N 3.25Å; T152-E155 PolarHBondContact OG1-O 3.02Å; T152-E155 VanDerWaalsContact OG1-O 3.09Å; T152-T193 WeakPolarHBondContact O-CG2 3.42Å | ||
| 153 | P | 90.5 | Very high | 90.6 | Very high | 57 Ų | 57 | 22.9 Ų | 22.9 | 37% | 0.37 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -56.9 | -28 | 173.1 | -27.1 | 35.7 | 0 | 0 | 0 | 113.4 | T126 I128 T193 Y197 | T126-P153 WeakPolarHBondContact O-CD 3.5Å; I128-P153 HydrophobicContact CG2-CG 4.1Å; P153-T193 PolarHBondContact O-OG1 3.46Å; P153-Y197 HydrophobicContact CG-CE2 4.41Å |
| 154 | S | 90.7 | Very high | 90.2 | Very high | 58 Ų | 58 | 21.5 Ų | 21.5 | 41% | 0.406 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -100.6 | -38.2 | -172.8 | -48.3 | 0 | 0 | 0 | 0 | 113.2 | D125 T152 P192 T193 | D125-S154 VanDerWaalsContact OD2-CB 3.31Å; D125-S154 WeakPolarHBondContact OD2-CB 3.35Å; D125-S154 PolarHBondContact OD2-OG 2.93Å; T152-S154 PolarHBondContact O-N 3.1Å; T152-S154 PolarHBondContact OG1-N 3.47Å; S154-P192 WeakPolarHBondContact O-CA 3.31Å; S154-T193 PolarHBondContact O-N 3.25Å; S154-T193 PolarHBondContact O-OG1 3.09Å; S154-T193 VanDerWaalsContact O-OG1 3.14Å |
| 155 | E | 92.5 | Very high | 88.8 | Confident | 76 Ų | 76 | 27.9 Ų | 27.9 | 36% | 0.355 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158 | -167.3 | -63.8 | -177.1 | 165.4 | 0 | 0 | 113.6 | T152 W157 C190 L191 | T152-E155 PolarHBondContact N-O 2.81Å; T152-E155 PolarHBondContact OG1-N 3.25Å; T152-E155 PolarHBondContact OG1-O 3.02Å; T152-E155 VanDerWaalsContact OG1-O 3.09Å; E155-W157 PolarHBondContact OE2-NE1 3.08Å; E155-C190 PolarHBondContact OE2-SG 2.93Å; E155-L191 CarbonylContact C-O 3.58Å; E155-L191 VanDerWaalsContact CA-O 3.25Å; E155-L191 WeakPolarHBondContact CA-O 3.06Å |
| 156 | I | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.2 | 173.4 | -46.8 | 176.1 | 0 | 0 | 0 | 108.1 | C190 L191 T193 I198 L211 M221 L246 | I156-C190 VanDerWaalsContact O-CA 3.31Å; I156-C190 WeakPolarHBondContact O-CA 3.33Å; I156-L191 HydrophobicContact CB-CB 4.48Å; I156-L191 PolarHBondContact N-O 3.06Å; I156-L191 PolarHBondContact O-N 2.81Å; I156-T193 HydrophobicContact CG1-CG2 3.78Å; I156-I198 HydrophobicContact CD1-CD1 3.41Å; I156-I198 VanDerWaalsContact CD1-CD1 3.41Å; I156-I198 HydrophobicContact CG1-CD1 3.48Å; I156-I198 VanDerWaalsContact CG1-CD1 3.48Å; I156-L211 HydrophobicContact CD1-CD1 3.76Å; I156-M221 HydrophobicContact CG2-CE 4.36Å; I156-M221 HydrophobicContact CG2-SD 3.94Å; I156-L246 HydrophobicContact CD1-CD1 4.32Å; I156-L246 HydrophobicContact CD1-CD2 4.45Å |
| 157 | W | 92.7 | Very high | 84.8 | Confident | 35 Ų | 35 | 34.7 Ų | 34.7 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.3 | -176.6 | -73.1 | 53.2 | 0 | 0 | 0 | 110.2 | C149 L150 E155 P187 | C149-W157 CarbonylContact C-O 3.51Å; C149-W157 VanDerWaalsContact CA-O 3.28Å; C149-W157 WeakPolarHBondContact CA-O 3.24Å; L150-W157 HydrophobicContact CB-CB 4.28Å; L150-W157 PolarHBondContact N-O 3.34Å; L150-W157 PolarHBondContact O-N 3.48Å; E155-W157 PolarHBondContact OE2-NE1 3.08Å; W157-P187 HydrophobicContact CD2-CB 4.34Å; W157-P187 HydrophobicContact CD2-CG 4.21Å; W157-P187 HydrophobicContact CE3-CB 3.78Å; W157-P187 HydrophobicContact CE3-CG 3.58Å; W157-P187 HydrophobicContact CH2-CG 4.31Å; W157-P187 HydrophobicContact CZ3-CB 4.32Å; W157-P187 HydrophobicContact CZ3-CG 3.64Å |
| 158 | L | 93.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 108.4 | 170.8 | -81.2 | 167.6 | 0 | 0 | 0 | 110.2 | I133 L147 L148 C149 L188 Y189 I209 M221 | I133-L158 HydrophobicContact CD1-CD2 3.54Å; L147-L158 HydrophobicContact CB-CD2 4.01Å; L147-L158 HydrophobicContact CD1-CD2 4.38Å; L148-L158 WeakPolarHBondContact O-CA 3.2Å; C149-L158 HydrophobicContact CB-CD2 3.75Å; L158-L188 PolarHBondContact O-N 3.36Å; L158-Y189 HydrophobicContact CB-CD2 4.01Å; L158-Y189 HydrophobicContact CD1-CD2 4Å; L158-Y189 HydrophobicContact CD1-CG 4.29Å; L158-Y189 PolarHBondContact N-O 3.44Å; L158-Y189 PolarHBondContact O-N 3Å; L158-I209 HydrophobicContact CD1-CD1 4.09Å; L158-I209 HydrophobicContact CD2-CD1 4.19Å; L158-M221 HydrophobicContact CD1-CE 3.21Å; L158-M221 HydrophobicContact CD1-SD 3.86Å; L158-M221 HydrophobicContact CG-CE 3.93Å; L158-M221 HydrophobicContact CG-SD 4.45Å |
| 159 | L | 92.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.6 | 179.7 | -64.1 | 154.9 | 0 | 0 | 0 | 110.3 | Y120 L147 L148 L150 V183 M184 P187 | Y120-L159 HydrophobicContact CD1-CD1 4Å; Y120-L159 HydrophobicContact CE1-CD1 3.58Å; Y120-L159 HydrophobicContact CE1-CD2 4.37Å; Y120-L159 HydrophobicContact CE2-CD1 4.14Å; Y120-L159 HydrophobicContact CE2-CD2 3.98Å; Y120-L159 HydrophobicContact CG-CD1 4.45Å; Y120-L159 VanDerWaalsContact OH-CD2 3.32Å; Y120-L159 WeakPolarHBondContact OH-CD2 3.49Å; L147-L159 CarbonylContact C-O 3.59Å; L147-L159 VanDerWaalsContact CA-O 3.28Å; L147-L159 WeakPolarHBondContact CA-O 3.45Å; L148-L159 HydrophobicContact CB-CB 4.22Å; L148-L159 HydrophobicContact CD2-CD1 4.15Å; L148-L159 PolarHBondContact N-O 3.47Å; L148-L159 PolarHBondContact O-N 3.04Å; L150-L159 HydrophobicContact CD1-CD1 3.68Å; L150-L159 HydrophobicContact CG-CD1 4.34Å; L159-V183 HydrophobicContact CB-CG1 3.99Å; L159-V183 HydrophobicContact CD1-CG1 4.28Å; L159-M184 WeakPolarHBondContact CD2-O 3.49Å; L159-P187 HydrophobicContact CD2-CB 4.14Å |
| 160 | G | 90.3 | Very high | 76.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 137.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M184 | G160-M184 WeakPolarHBondContact O-CG 3.29Å; G160-M184 PolarHBondContact O-N 3.37Å |
| 161 | M | 90 | Very high | 73.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.1 | 170.9 | -51.9 | -179.8 | 85.7 | 0 | 0 | 110.2 | M108 L132 K145 F146 L148 L181 E182 V183 | M108-M161 HydrophobicContact CE-CE 3.95Å; M108-M161 HydrophobicContact SD-CE 3.94Å; L132-M161 HydrophobicContact CD1-SD 3.54Å; L132-M161 VanDerWaalsContact CD1-SD 3.54Å; K145-M161 PolarHBondContact N-O 2.87Å; F146-M161 HydrophobicContact CB-CB 4.18Å; F146-M161 HydrophobicContact CB-SD 4.17Å; F146-M161 PolarHBondContact N-O 3.02Å; F146-M161 PolarHBondContact O-N 3.49Å; L148-M161 HydrophobicContact CB-CG 4.05Å; L148-M161 HydrophobicContact CB-SD 3.85Å; M161-L181 HydrophobicContact CB-CD1 4.16Å; M161-L181 HydrophobicContact CE-CD2 3.29Å; M161-L181 HydrophobicContact CE-CG 3.88Å; M161-L181 HydrophobicContact SD-CD2 4.41Å; M161-E182 WeakPolarHBondContact CA-O 3.28Å; M161-V183 HydrophobicContact CE-CG2 3.83Å; M161-V183 HydrophobicContact CG-CG2 4.36Å |
| 162 | M | 86.9 | Confident | 69.9 | Low | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.089 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.6 | -178.9 | 62.2 | -176.4 | 76.4 | 0 | 0 | 111 | H143 E182 M184 L234 | H143-M162 VanDerWaalsContact O-CB 3.23Å; H143-M162 WeakPolarHBondContact O-CB 3.22Å; M162-E182 HydrophobicContact CG-CB 4.37Å; M162-E182 PolarHBondContact N-O 2.64Å; M162-E182 PolarHBondContact O-N 2.94Å; M162-M184 HydrophobicContact CE-CG 3.75Å; M162-M184 HydrophobicContact CE-SD 3.79Å; M162-L234 HydrophobicContact SD-CD2 4.09Å |
| 163 | Y | 82 | Confident | 66.8 | Low | 79 Ų | 79 | 80 Ų | 80 | 31% | 0.31 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.6 | 172.2 | -72.7 | -73 | 0 | 0 | 0 | 109.6 | K145 F146 N165 P179 I180 L181 | K145-Y163 HydrophobicContact CB-CD2 4.48Å; K145-Y163 HydrophobicContact CB-CE2 4.4Å; K145-Y163 HydrophobicContact CG-CD2 3.96Å; K145-Y163 HydrophobicContact CG-CE2 4.23Å; F146-Y163 HydrophobicContact CE2-CE2 4.06Å; Y163-N165 PolarHBondContact O-N 3.47Å; Y163-P179 HydrophobicContact CD1-CB 3.74Å; Y163-P179 HydrophobicContact CD1-CG 3.75Å; Y163-P179 WeakPolarHBondContact CD1-O 3.22Å; Y163-P179 HydrophobicContact CE1-CG 4.1Å; Y163-P179 HydrophobicContact CG-CB 4.17Å; Y163-P179 HydrophobicContact CG-CG 4.26Å; Y163-I180 WeakPolarHBondContact CA-O 3.48Å; Y163-L181 HydrophobicContact CD1-CB 4.28Å; Y163-L181 HydrophobicContact CD1-CD1 3.95Å; Y163-L181 HydrophobicContact CD2-CD1 4.4Å; Y163-L181 HydrophobicContact CE1-CB 4.11Å; Y163-L181 HydrophobicContact CE1-CD1 3.77Å; Y163-L181 HydrophobicContact CE1-CG 4.49Å; Y163-L181 HydrophobicContact CE2-CD1 4.2Å; Y163-L181 HydrophobicContact CG-CD1 4.28Å |
| 164 | S | 72.3 | Confident | 63.8 | Low | 19 Ų | 19 | 86.2 Ų | 86.2 | 13% | 0.133 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.3 | 173 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | T166 I180 E182 | S164-T166 PolarHBondContact O-N 3.3Å; S164-T166 VanDerWaalsContact O-N 3.17Å; S164-I180 PolarHBondContact N-O 3.25Å; S164-E182 VanDerWaalsContact CB-CD 3.42Å; S164-E182 WeakPolarHBondContact CB-OE1 3.38Å; S164-E182 PolarHBondContact OG-OE1 2.93Å |
| 165 | N | 58.1 | Low | 60.9 | Low | 140 Ų | 140 | 91.6 Ų | 91.6 | 75% | 0.749 | 46% | 0.462 | S | S | * | . | trans | -79.2 | 94.8 | 167.1 | -104 | -6.8 | 0 | 0 | 0 | 107.5 | Y163 N167 | Y163-N165 PolarHBondContact O-N 3.47Å; N165-N167 PolarHBondContact O-N 2.68Å | ||
| 166 | T | 51.4 | Low | 58.2 | Low | 95 Ų | 95 | 94.3 Ų | 94.3 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | trans | -70.3 | 76.3 | 172.1 | 50 | 0 | 0 | 0 | 0 | 110.1 | S164 S168 | S164-T166 PolarHBondContact O-N 3.3Å; S164-T166 VanDerWaalsContact O-N 3.17Å; T166-S168 PolarHBondContact O-N 3.07Å | ||
| 167 | N | 40.1 | Very low | 55.8 | Low | 150 Ų | 150 | 99.4 Ų | 99.4 | 80% | 0.802 | 53% | 0.525 | S | S | * | . | trans | -70.6 | 69.9 | 163.2 | -82.6 | -10.5 | 0 | 0 | 0 | 109.1 | N165 | N165-N167 PolarHBondContact O-N 2.68Š| ||
| 168 | S | 37.6 | Very low | 53.7 | Low | 95 Ų | 95 | 101.5 Ų | 101.5 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | trans | -97.7 | 111 | 167.1 | 63.1 | 0 | 0 | 0 | 0 | 109.2 | T166 H170 | T166-S168 PolarHBondContact O-N 3.07Å; S168-H170 VanDerWaalsContact C-N 3.3Å; S168-H170 PolarHBondContact O-N 2.96Å | ||
| 169 | N | 30.2 | Very low | 52.2 | Low | 162 Ų | 162 | 104.3 Ų | 104.3 | 87% | 0.866 | 56% | 0.563 | S | S | * | * | trans | -60.7 | 86.5 | 169.2 | -74.7 | -34.1 | 0 | 0 | 0 | 109.8 | ||||
| 170 | H | 32.4 | Very low | 51.3 | Low | 166 Ų | 166 | 107.9 Ų | 107.9 | 77% | 0.769 | 58% | 0.581 | S | S | * | * | trans | -155.3 | 101.7 | 161.2 | -103.7 | -67.8 | 0 | 0 | 0 | 112.1 | S168 | S168-H170 VanDerWaalsContact C-N 3.3Å; S168-H170 PolarHBondContact O-N 2.96Å | ||
| 171 | T | 29 | Very low | 50.9 | Low | 116 Ų | 116 | 108.5 Ų | 108.5 | 71% | 0.712 | 58% | 0.584 | S | S | * | * | trans | 38.4 | 104.6 | 144.6 | 54.8 | 0 | 0 | 0 | 0 | 119.4 | R173 | T171-R173 PolarHBondContact O-N 3.33Š| ||
| 172 | L | 28.2 | Very low | 50.6 | Low | 177 Ų | 177 | 113 Ų | 113 | 93% | 0.927 | 61% | 0.605 | S | S | * | * | trans | 38.4 | 76.6 | 139.5 | -69.9 | 163.6 | 0 | 0 | 0 | 116.8 | ||||
| 173 | R | 28.8 | Very low | 50.7 | Low | 236 Ų | 236 | 114 Ų | 114 | 89% | 0.891 | 61% | 0.612 | S | S | * | * | trans | -137 | 113.6 | 142.7 | -84.6 | -163.2 | 173.8 | 174.4 | -1.2 | 111.3 | T171 Q175 | T171-R173 PolarHBondContact O-N 3.33Å; R173-Q175 PolarHBondContact O-N 3.23Å; R173-Q175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | M | 26.6 | Very low | 50.9 | Low | 189 Ų | 189 | 110.8 Ų | 110.8 | 93% | 0.931 | 60% | 0.6 | S | S | * | * | trans | -57.4 | 101.7 | 162.9 | -71.6 | -84.1 | -179.5 | 0 | 0 | 109.4 | ||||
| 175 | Q | 30.8 | Very low | 51.5 | Low | 171 Ų | 171 | 114.4 Ų | 114.4 | 80% | 0.799 | 62% | 0.623 | S | S | * | * | trans | -160.6 | 124.8 | 156.2 | -107.5 | 161.8 | 9.2 | 0 | 0 | 107.7 | R173 S177 | R173-Q175 PolarHBondContact O-N 3.23Å; R173-Q175 VanDerWaalsContact O-N 3.16Å; Q175-S177 PolarHBondContact O-N 3.11Å | ||
| 176 | S | 35.7 | Very low | 52.8 | Low | 133 Ų | 133 | 113.2 Ų | 113.2 | 93% | 0.93 | 62% | 0.617 | S | S | * | * | trans | -48.4 | 101.9 | -177.9 | -56.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 177 | S | 41.8 | Very low | 54.5 | Low | 107 Ų | 107 | 110 Ų | 110 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | trans | -98 | 105.1 | 174.7 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | Q175 | Q175-S177 PolarHBondContact O-N 3.11Š| ||
| 178 | C | 48.8 | Very low | 56.8 | Low | 78 Ų | 78 | 103.1 Ų | 103.1 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 135.5 | 166.4 | -153.4 | 0 | 0 | 0 | 0 | 108.4 | I180 | C178-I180 PolarHBondContact O-N 2.75Š|
| 179 | P | 62.5 | Low | 59.3 | Low | 60 Ų | 60 | 98.6 Ų | 98.6 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 133.1 | -179.2 | 24.6 | -33.6 | 0 | 0 | 0 | 110.8 | Y163 | Y163-P179 HydrophobicContact CD1-CB 3.74Å; Y163-P179 HydrophobicContact CD1-CG 3.75Å; Y163-P179 WeakPolarHBondContact CD1-O 3.22Å; Y163-P179 HydrophobicContact CE1-CG 4.1Å; Y163-P179 HydrophobicContact CG-CB 4.17Å; Y163-P179 HydrophobicContact CG-CG 4.26Å |
| 180 | I | 73.4 | Confident | 62.1 | Low | 75 Ų | 75 | 92.5 Ų | 92.5 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 131.6 | -178.4 | -61.4 | 170.3 | 0 | 0 | 0 | 108.6 | Y163 S164 C178 | Y163-I180 WeakPolarHBondContact CA-O 3.48Å; S164-I180 PolarHBondContact N-O 3.25Å; C178-I180 PolarHBondContact O-N 2.75Å |
| 181 | L | 81.6 | Confident | 64.8 | Low | 12 Ų | 12 | 85.6 Ų | 85.6 | 6% | 0.063 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 112.4 | 179.2 | -172.2 | 69.3 | 0 | 0 | 0 | 109.6 | C95 K97 M161 Y163 | C95-L181 HydrophobicContact CB-CD2 3.85Å; K97-L181 HydrophobicContact CG-CD2 4.29Å; M161-L181 HydrophobicContact CB-CD1 4.16Å; M161-L181 HydrophobicContact CE-CD2 3.29Å; M161-L181 HydrophobicContact CE-CG 3.88Å; M161-L181 HydrophobicContact SD-CD2 4.41Å; Y163-L181 HydrophobicContact CD1-CB 4.28Å; Y163-L181 HydrophobicContact CD1-CD1 3.95Å; Y163-L181 HydrophobicContact CD2-CD1 4.4Å; Y163-L181 HydrophobicContact CE1-CB 4.11Å; Y163-L181 HydrophobicContact CE1-CD1 3.77Å; Y163-L181 HydrophobicContact CE1-CG 4.49Å; Y163-L181 HydrophobicContact CE2-CD1 4.2Å; Y163-L181 HydrophobicContact CG-CD1 4.28Å |
| 182 | E | 85 | Confident | 67.8 | Low | 96 Ų | 96 | 83.9 Ų | 83.9 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.6 | 177.5 | -71.1 | 179 | -170.3 | 0 | 0 | 110.8 | M161 M162 S164 | M161-E182 WeakPolarHBondContact CA-O 3.28Å; M162-E182 HydrophobicContact CG-CB 4.37Å; M162-E182 PolarHBondContact N-O 2.64Å; M162-E182 PolarHBondContact O-N 2.94Å; S164-E182 VanDerWaalsContact CB-CD 3.42Å; S164-E182 WeakPolarHBondContact CB-OE1 3.38Å; S164-E182 PolarHBondContact OG-OE1 2.93Å |
| 183 | V | 87.9 | Confident | 70.4 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.6 | 171.5 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | M108 Y120 L148 L159 M161 | M108-V183 HydrophobicContact CE-CG2 3.5Å; M108-V183 VanDerWaalsContact CE-CG2 3.5Å; Y120-V183 HydrophobicContact CD2-CG1 4.22Å; L148-V183 HydrophobicContact CD2-CG1 4.38Å; L159-V183 HydrophobicContact CB-CG1 3.99Å; L159-V183 HydrophobicContact CD1-CG1 4.28Å; M161-V183 HydrophobicContact CE-CG2 3.83Å; M161-V183 HydrophobicContact CG-CG2 4.36Å |
| 184 | M | 86.7 | Confident | 73 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 6% | 0.064 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -66 | 140.8 | 176 | -69.2 | -179.8 | 67.3 | 0 | 0 | 111.5 | I144 L159 G160 M162 L188 P236 | I144-M184 HydrophobicContact CD1-SD 4.12Å; L159-M184 WeakPolarHBondContact CD2-O 3.49Å; G160-M184 WeakPolarHBondContact O-CG 3.29Å; G160-M184 PolarHBondContact O-N 3.37Å; M162-M184 HydrophobicContact CE-CG 3.75Å; M162-M184 HydrophobicContact CE-SD 3.79Å; M184-L188 HydrophobicContact CE-CD2 3.77Å; M184-L188 HydrophobicContact SD-CD1 4.36Å; M184-L188 HydrophobicContact SD-CD2 3.98Å; M184-L188 HydrophobicContact SD-CG 4.3Å; M184-P236 HydrophobicContact CE-CG 3.61Å |
| 185 | P | 84.8 | Confident | 75.6 | Confident | 95 Ų | 95 | 69 Ų | 69 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -67.4 | -41.7 | -178.8 | 25.3 | -32.8 | 0 | 0 | 0 | 112.2 | Y120 | Y120-P185 WeakPolarHBondContact CE2-O 3.42Å; Y120-P185 PolarHBondContact OH-O 3.04Å |
| 186 | D | 85.8 | Confident | 78.2 | Confident | 115 Ų | 115 | 61.8 Ų | 61.8 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -98.9 | 140.7 | -179.5 | -63.2 | -41 | 0 | 0 | 0 | 111.5 | ||
| 187 | P | 87.2 | Confident | 80.9 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -68.8 | 137.1 | 176.1 | 29.7 | -35.3 | 0 | 0 | 0 | 111.6 | W157 L159 Y189 C190 | W157-P187 HydrophobicContact CD2-CB 4.34Å; W157-P187 HydrophobicContact CD2-CG 4.21Å; W157-P187 HydrophobicContact CE3-CB 3.78Å; W157-P187 HydrophobicContact CE3-CG 3.58Å; W157-P187 HydrophobicContact CH2-CG 4.31Å; W157-P187 HydrophobicContact CZ3-CB 4.32Å; W157-P187 HydrophobicContact CZ3-CG 3.64Å; L159-P187 HydrophobicContact CD2-CB 4.14Å; P187-Y189 VanDerWaalsContact C-N 3.33Å; P187-C190 HydrophobicContact CG-CB 4.49Å | ||
| 188 | L | 88.1 | Confident | 83.3 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -70.4 | -34.5 | 174.2 | -64.6 | 174 | 0 | 0 | 0 | 111.6 | I144 L147 L158 M184 I226 W229 P236 T241 G242 | I144-L188 HydrophobicContact CD1-CD1 3.64Å; L147-L188 HydrophobicContact CD2-CD1 3.74Å; L158-L188 PolarHBondContact O-N 3.36Å; M184-L188 HydrophobicContact CE-CD2 3.77Å; M184-L188 HydrophobicContact SD-CD1 4.36Å; M184-L188 HydrophobicContact SD-CD2 3.98Å; M184-L188 HydrophobicContact SD-CG 4.3Å; L188-I226 HydrophobicContact CB-CD1 4.28Å; L188-I226 HydrophobicContact CD2-CD1 3.92Å; L188-W229 HydrophobicContact CD2-CH2 3.85Å; L188-W229 HydrophobicContact CD2-CZ3 3.93Å; L188-P236 HydrophobicContact CD2-CB 4.28Å; L188-P236 HydrophobicContact CD2-CG 4.05Å; L188-T241 WeakPolarHBondContact O-CA 3.46Å; L188-G242 PolarHBondContact O-N 2.53Å |
| 189 | Y | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.9 | 175.7 | -48.2 | -95.4 | 0 | 0 | 0 | 109.4 | L140 L158 P187 Y223 S224 G242 C244 | L140-Y189 HydrophobicContact CD1-CE2 4.47Å; L140-Y189 HydrophobicContact CD2-CE2 4.39Å; L158-Y189 HydrophobicContact CB-CD2 4.01Å; L158-Y189 HydrophobicContact CD1-CD2 4Å; L158-Y189 HydrophobicContact CD1-CG 4.29Å; L158-Y189 PolarHBondContact N-O 3.44Å; L158-Y189 PolarHBondContact O-N 3Å; P187-Y189 VanDerWaalsContact C-N 3.33Å; Y189-Y223 HydrophobicContact CE2-CD2 4.34Å; Y189-S224 WeakPolarHBondContact CE1-O 3.29Å; Y189-S224 PolarHBondContact OH-O 2.95Å; Y189-G242 WeakPolarHBondContact CD1-O 3.44Å; Y189-G242 VanDerWaalsContact CE1-CA 3.45Å; Y189-C244 HydrophobicContact CD1-CB 3.98Å |
| 190 | C | 88.6 | Confident | 86.9 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127 | 171.6 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | E155 I156 P187 | E155-C190 PolarHBondContact OE2-SG 2.93Å; I156-C190 VanDerWaalsContact O-CA 3.31Å; I156-C190 WeakPolarHBondContact O-CA 3.33Å; P187-C190 HydrophobicContact CG-CB 4.49Å |
| 191 | L | 90.1 | Very high | 87.9 | Confident | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.1 | 178.7 | -76.2 | 177.1 | 0 | 0 | 0 | 110.5 | E155 I156 M221 C244 L246 | E155-L191 CarbonylContact C-O 3.58Å; E155-L191 VanDerWaalsContact CA-O 3.25Å; E155-L191 WeakPolarHBondContact CA-O 3.06Å; I156-L191 HydrophobicContact CB-CB 4.48Å; I156-L191 PolarHBondContact N-O 3.06Å; I156-L191 PolarHBondContact O-N 2.81Å; L191-M221 HydrophobicContact CD1-CE 3.52Å; L191-M221 HydrophobicContact CD1-CG 3.83Å; L191-M221 HydrophobicContact CD1-SD 4.15Å; L191-M221 HydrophobicContact CG-CE 4.04Å; L191-C244 HydrophobicContact CD1-CB 3.98Å; L191-C244 HydrophobicContact CD2-CB 4.21Å; L191-C244 WeakPolarHBondContact CD2-SG 3.38Å; L191-C244 HydrophobicContact CG-CB 4.15Å; L191-C244 WeakPolarHBondContact CG-SG 3.41Å; L191-L246 HydrophobicContact CD1-CB 4.43Å |
| 192 | P | 90.7 | Very high | 88.4 | Confident | 79 Ų | 79 | 50 Ų | 50 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 144.9 | 167.4 | 28.9 | -33.2 | 0 | 0 | 0 | 110.6 | S154 E194 | S154-P192 WeakPolarHBondContact O-CA 3.31Å; P192-E194 PolarHBondContact O-N 3.37Å |
| 193 | T | 83.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | trans | -76.2 | -0.6 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | T152 P153 S154 I156 N195 N196 I198 | T152-T193 WeakPolarHBondContact O-CG2 3.42Å; P153-T193 PolarHBondContact O-OG1 3.46Å; S154-T193 PolarHBondContact O-N 3.25Å; S154-T193 PolarHBondContact O-OG1 3.09Å; S154-T193 VanDerWaalsContact O-OG1 3.14Å; I156-T193 HydrophobicContact CG1-CG2 3.78Å; T193-N195 PolarHBondContact O-N 2.8Å; T193-N196 WeakPolarHBondContact CB-O 3.17Å; T193-N196 WeakPolarHBondContact O-CB 3.41Å; T193-N196 PolarHBondContact O-N 2.85Å; T193-N196 PolarHBondContact O-ND2 2.78Å; T193-I198 HydrophobicContact CG2-CD1 3.85Å; T193-I198 HydrophobicContact CG2-CG1 4.46Å | ||
| 194 | E | 83 | Confident | 88.8 | Confident | 125 Ų | 125 | 45 Ų | 45 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 36.2 | -177.2 | -57.4 | -171 | 161.3 | 0 | 0 | 114 | P192 N196 L246 | P192-E194 PolarHBondContact O-N 3.37Å; E194-N196 PolarHBondContact O-N 2.86Å; E194-N196 PolarHBondContact O-ND2 2.91Å; E194-L246 HydrophobicContact CG-CD2 4.43Å |
| 195 | N | 81.4 | Confident | 88.6 | Confident | 161 Ų | 161 | 46.4 Ų | 46.4 | 86% | 0.861 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 14.7 | -174.8 | -51 | -48.5 | 0 | 0 | 0 | 115.3 | T193 | T193-N195 PolarHBondContact O-N 2.8Š|
| 196 | N | 85.9 | Confident | 88.5 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | trans | -93.6 | 127.2 | 174.2 | -55.4 | -74 | 0 | 0 | 0 | 109.9 | T193 E194 I198 T213 L219 | T193-N196 WeakPolarHBondContact CB-O 3.17Å; T193-N196 WeakPolarHBondContact O-CB 3.41Å; T193-N196 PolarHBondContact O-N 2.85Å; T193-N196 PolarHBondContact O-ND2 2.78Å; E194-N196 PolarHBondContact O-N 2.86Å; E194-N196 PolarHBondContact O-ND2 2.91Å; N196-I198 PolarHBondContact O-N 3.31Å; N196-T213 HydrophobicContact CB-CG2 3.77Å; N196-L219 HydrophobicContact CB-CD1 4.29Å | ||
| 197 | Y | 90.5 | Very high | 88.4 | Confident | 82 Ų | 82 | 39.3 Ų | 39.3 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | trans | -82.4 | 108.1 | 177.1 | -169 | -82.3 | 0 | 0 | 0 | 109.9 | I128 P153 S199 T213 R214 E215 | I128-Y197 HydrophobicContact CB-CE1 4.24Å; I128-Y197 HydrophobicContact CB-CE2 4.48Å; I128-Y197 HydrophobicContact CD1-CD1 4.07Å; I128-Y197 HydrophobicContact CD1-CD2 3.99Å; I128-Y197 HydrophobicContact CD1-CE1 3.96Å; I128-Y197 HydrophobicContact CD1-CE2 3.87Å; I128-Y197 HydrophobicContact CD1-CG 4.1Å; I128-Y197 HydrophobicContact CG2-CE1 4.45Å; I128-Y197 HydrophobicContact CG2-CE2 3.93Å; I128-Y197 WeakPolarHBondContact CG2-OH 3.02Å; P153-Y197 HydrophobicContact CG-CE2 4.41Å; Y197-S199 PolarHBondContact O-N 3.42Å; Y197-T213 CarbonylContact O-C 3.59Å; Y197-T213 VanDerWaalsContact O-CA 3.23Å; Y197-T213 WeakPolarHBondContact O-CA 3.46Å; Y197-T213 WeakPolarHBondContact O-CB 3.49Å; Y197-R214 HydrophobicContact CD1-CB 4.06Å; Y197-R214 HydrophobicContact CG-CB 4.39Å; Y197-R214 PolarHBondContact O-N 2.83Å; Y197-E215 PolarHBondContact N-OE1 3.26Å; Y197-E215 PolarHBondContact N-OE2 3.37Å | ||
| 198 | I | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 118.7 | -176.4 | -60.2 | 170.9 | 0 | 0 | 0 | 110.1 | I128 A151 I156 T193 N196 I201 L211 G212 | I128-I198 HydrophobicContact CD1-CB 4.46Å; I128-I198 WeakPolarHBondContact CD1-O 3.37Å; A151-I198 HydrophobicContact CB-CB 3.94Å; A151-I198 HydrophobicContact CB-CD1 3.89Å; A151-I198 HydrophobicContact CB-CG2 4.05Å; I156-I198 HydrophobicContact CD1-CD1 3.41Å; I156-I198 VanDerWaalsContact CD1-CD1 3.41Å; I156-I198 HydrophobicContact CG1-CD1 3.48Å; I156-I198 VanDerWaalsContact CG1-CD1 3.48Å; T193-I198 HydrophobicContact CG2-CD1 3.85Å; T193-I198 HydrophobicContact CG2-CG1 4.46Å; N196-I198 PolarHBondContact O-N 3.31Å; I198-I201 HydrophobicContact CG2-CD1 4.13Å; I198-I201 HydrophobicContact CG2-CG1 3.71Å; I198-L211 HydrophobicContact CD1-CD1 4.37Å; I198-L211 HydrophobicContact CG2-CB 4.39Å; I198-L211 HydrophobicContact CG2-CD2 4.24Å; I198-G212 WeakPolarHBondContact CA-O 3.48Å |
| 199 | S | 92 | Very high | 88.8 | Confident | 35 Ų | 35 | 38 Ų | 38 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -28.7 | -175.5 | 46.9 | 0 | 0 | 0 | 0 | 113.8 | Y197 G212 I272 | Y197-S199 PolarHBondContact O-N 3.42Å; S199-G212 PolarHBondContact N-O 3.06Å; S199-G212 PolarHBondContact OG-O 3.19Å; S199-G212 VanDerWaalsContact OG-O 3.06Å; S199-I272 WeakPolarHBondContact CB-O 3.36Å; S199-I272 PolarHBondContact OG-O 3.44Å |
| 200 | C | 93.5 | Very high | 89 | Confident | 15 Ų | 15 | 38 Ų | 38 | 10% | 0.101 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 152.3 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | L211 G212 I272 | C200-L211 WeakPolarHBondContact O-CA 3.47Å; C200-G212 PolarHBondContact N-O 2.74Å; C200-G212 PolarHBondContact O-N 3.38Å; C200-I272 PolarHBondContact SG-O 3.09Å; C200-I272 VanDerWaalsContact SG-O 3.34Å |
| 201 | I | 95.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.046 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.9 | -176.6 | -53.7 | 176.4 | 0 | 0 | 0 | 108.2 | S129 S131 A151 I198 I209 F210 L211 | S129-I201 WeakPolarHBondContact OG-CG1 3.24Å; S131-I201 WeakPolarHBondContact CB-O 3.18Å; S131-I201 PolarHBondContact OG-O 3.1Å; A151-I201 HydrophobicContact CB-CD1 3.96Å; I198-I201 HydrophobicContact CG2-CD1 4.13Å; I198-I201 HydrophobicContact CG2-CG1 3.71Å; I201-I209 HydrophobicContact CG2-CG2 4Å; I201-F210 WeakPolarHBondContact CA-O 3.48Å; I201-L211 HydrophobicContact CB-CD2 3.99Å; I201-L211 HydrophobicContact CD1-CD2 3.98Å; I201-L211 HydrophobicContact CG1-CD2 3.51Å; I201-L211 HydrophobicContact CG2-CD2 3.67Å |
| 202 | E | 93.2 | Very high | 89.5 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 36% | 0.355 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.2 | 178.9 | -158.9 | 67.4 | 174.9 | 0 | 0 | 111 | F210 L275 V277 | E202-F210 PolarHBondContact N-O 3.45Å; E202-F210 PolarHBondContact O-N 3.08Å; E202-L275 HydrophobicContact CB-CB 3.73Å; E202-L275 HydrophobicContact CB-CD1 4.31Å; E202-L275 HydrophobicContact CG-CB 4.38Å; E202-V277 HydrophobicContact CG-CG2 3.89Å |
| 203 | S | 90.6 | Very high | 89.6 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 150.6 | -177.2 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | L132 R208 | L132-S203 PolarHBondContact O-OG 3.05Å; S203-R208 CarbonylContact C-O 3.31Å; S203-R208 VanDerWaalsContact CA-O 3.3Å; S203-R208 WeakPolarHBondContact CA-O 3.47Å |
| 204 | T | 89.7 | Confident | 89.8 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | trans | -88.3 | 155.5 | 171 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | N206 G207 R208 F210 V277 F298 | T204-N206 PolarHBondContact O-N 3.02Å; T204-G207 PolarHBondContact O-N 2.66Å; T204-R208 HydrophobicContact CG2-CB 4.22Å; T204-R208 PolarHBondContact N-O 3.4Å; T204-R208 WeakPolarHBondContact OG1-CB 3.43Å; T204-R208 PolarHBondContact OG1-N 3.4Å; T204-R208 PolarHBondContact OG1-O 2.81Å; T204-F210 HydrophobicContact CG2-CD2 4.31Å; T204-F210 HydrophobicContact CG2-CE2 3.7Å; T204-V277 HydrophobicContact CG2-CG1 4.08Å; T204-V277 HydrophobicContact CG2-CG2 4.42Å; T204-F298 HydrophobicContact CG2-CD2 4.42Å; T204-F298 HydrophobicContact CG2-CE1 4.48Å; T204-F298 HydrophobicContact CG2-CE2 3.86Å; T204-F298 HydrophobicContact CG2-CZ 3.89Å | ||
| 205 | P | 82.2 | Confident | 89.9 | Confident | 43 Ų | 43 | 36 Ų | 36 | 28% | 0.279 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.4 | 175.3 | -20.5 | 29.9 | 0 | 0 | 0 | 113.8 | G207 T279 | P205-G207 VanDerWaalsContact C-N 3.27Å; P205-T279 VanDerWaalsContact CD-CG2 3.49Å; P205-T279 HydrophobicContact CG-CG2 3.47Å; P205-T279 VanDerWaalsContact CG-CG2 3.47Å |
| 206 | N | 82.3 | Confident | 90.1 | Very high | 60 Ų | 60 | 29.4 Ų | 29.4 | 32% | 0.321 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 0.1 | 178.7 | -57.4 | -4.4 | 0 | 0 | 0 | 112.4 | S136 T204 D300 | S136-N206 VanDerWaalsContact CB-O 3.31Å; S136-N206 WeakPolarHBondContact CB-O 3.49Å; T204-N206 PolarHBondContact O-N 3.02Å; N206-D300 PolarHBondContact ND2-O 2.87Å; N206-D300 VanDerWaalsContact ND2-O 3.12Å; N206-D300 PolarHBondContact ND2-OD1 3.12Å; N206-D300 VanDerWaalsContact ND2-OD1 3.14Å |
| 207 | G | 85.1 | Confident | 90.2 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 89.1 | 11.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | V134 T204 P205 Y223 | V134-G207 WeakPolarHBondContact O-CA 3.43Å; T204-G207 PolarHBondContact O-N 2.66Å; P205-G207 VanDerWaalsContact C-N 3.27Å; G207-Y223 WeakPolarHBondContact O-CE1 3.3Å; G207-Y223 PolarHBondContact O-OH 2.95Å |
| 208 | R | 89.8 | Confident | 90.3 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | trans | -73.8 | 140.7 | 167.1 | -59.1 | 178.3 | 67.2 | 171.5 | 0.7 | 110.5 | S203 T204 F210 E220 S299 | S203-R208 CarbonylContact C-O 3.31Å; S203-R208 VanDerWaalsContact CA-O 3.3Å; S203-R208 WeakPolarHBondContact CA-O 3.47Å; T204-R208 HydrophobicContact CG2-CB 4.22Å; T204-R208 PolarHBondContact N-O 3.4Å; T204-R208 WeakPolarHBondContact OG1-CB 3.43Å; T204-R208 PolarHBondContact OG1-N 3.4Å; T204-R208 PolarHBondContact OG1-O 2.81Å; R208-F210 HydrophobicContact CB-CE2 4.29Å; R208-F210 HydrophobicContact CB-CZ 4.39Å; R208-E220 IonicContact CZ-OE1 2.58Å; R208-E220 IonicContact NE-OE1 3.86Å; R208-E220 PolarHBondContact NE-OE1 3.19Å; R208-E220 IonicContact NH2-OE1 3.79Å; R208-E220 PolarHBondContact NH2-OE1 2.77Å; R208-E220 IonicContact NH2-OE2 3.83Å; R208-E220 PolarHBondContact NH2-OE2 3.15Å; R208-S299 PolarHBondContact NH1-O 3.46Å | ||
| 209 | I | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.5 | -175.5 | -53.1 | 163.7 | 0 | 0 | 0 | 109.2 | I133 L158 I201 L211 E220 M221 Y223 | I133-I209 HydrophobicContact CD1-CD1 3.61Å; I133-I209 HydrophobicContact CD1-CG1 3.79Å; I133-I209 HydrophobicContact CD1-CG2 4.15Å; I133-I209 HydrophobicContact CG1-CD1 4.37Å; I133-I209 HydrophobicContact CG1-CG1 4.07Å; I133-I209 HydrophobicContact CG2-CD1 4.23Å; I133-I209 HydrophobicContact CG2-CG1 3.95Å; L158-I209 HydrophobicContact CD1-CD1 4.09Å; L158-I209 HydrophobicContact CD2-CD1 4.19Å; I201-I209 HydrophobicContact CG2-CG2 4Å; I209-L211 HydrophobicContact CG2-CD2 4.22Å; I209-E220 WeakPolarHBondContact O-CA 3.28Å; I209-M221 HydrophobicContact CB-CB 4.23Å; I209-M221 HydrophobicContact CD1-SD 4.43Å; I209-M221 HydrophobicContact CG2-CB 4.38Å; I209-M221 PolarHBondContact O-N 3.23Å; I209-Y223 HydrophobicContact CD1-CD1 3.75Å; I209-Y223 HydrophobicContact CD1-CE1 3.58Å; I209-Y223 HydrophobicContact CG1-CE1 4.13Å |
| 210 | F | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.3 | 176.5 | -61.3 | -70.1 | 0 | 0 | 0 | 110.6 | I201 E202 T204 R208 L218 L219 E220 L275 L284 F298 F306 | I201-F210 WeakPolarHBondContact CA-O 3.48Å; E202-F210 PolarHBondContact N-O 3.45Å; E202-F210 PolarHBondContact O-N 3.08Å; T204-F210 HydrophobicContact CG2-CD2 4.31Å; T204-F210 HydrophobicContact CG2-CE2 3.7Å; R208-F210 HydrophobicContact CB-CE2 4.29Å; R208-F210 HydrophobicContact CB-CZ 4.39Å; F210-L218 HydrophobicContact CB-CD1 4.45Å; F210-L219 WeakPolarHBondContact CA-O 3.41Å; F210-E220 HydrophobicContact CD1-CB 4.06Å; F210-E220 HydrophobicContact CD1-CG 4.21Å; F210-E220 HydrophobicContact CE1-CB 4.17Å; F210-E220 HydrophobicContact CE1-CG 4.03Å; F210-L275 HydrophobicContact CB-CD1 4.17Å; F210-L284 HydrophobicContact CB-CD2 4.18Å; F210-L284 HydrophobicContact CD1-CD2 4.16Å; F210-L284 HydrophobicContact CD2-CD1 4.24Å; F210-L284 HydrophobicContact CD2-CD2 4.05Å; F210-L284 HydrophobicContact CE2-CD2 4.47Å; F210-L284 HydrophobicContact CG-CD2 3.87Å; F210-F298 HydrophobicContact CZ-CB 4.32Å; F210-F306 HydrophobicContact CD1-CE2 4.25Å; F210-F306 AromaticContact CE1-CD2 3.7Å; F210-F306 HydrophobicContact CE1-CD2 3.7Å; F210-F306 AromaticContact CE1-CE2 3.54Å; F210-F306 HydrophobicContact CE1-CE2 3.54Å; F210-F306 HydrophobicContact CE1-CZ 4.31Å; F210-F306 AromaticContact CZ-CD2 3.91Å; F210-F306 HydrophobicContact CZ-CD2 3.91Å; F210-F306 AromaticContact CZ-CE2 3.8Å; F210-F306 HydrophobicContact CZ-CE2 3.8Å |
| 211 | L | 95 | Very high | 90 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.3 | -173.8 | -51.8 | 161 | 0 | 0 | 0 | 108.9 | I156 I198 C200 I201 I209 L218 L219 M221 L246 | I156-L211 HydrophobicContact CD1-CD1 3.76Å; I198-L211 HydrophobicContact CD1-CD1 4.37Å; I198-L211 HydrophobicContact CG2-CB 4.39Å; I198-L211 HydrophobicContact CG2-CD2 4.24Å; C200-L211 WeakPolarHBondContact O-CA 3.47Å; I201-L211 HydrophobicContact CB-CD2 3.99Å; I201-L211 HydrophobicContact CD1-CD2 3.98Å; I201-L211 HydrophobicContact CG1-CD2 3.51Å; I201-L211 HydrophobicContact CG2-CD2 3.67Å; I209-L211 HydrophobicContact CG2-CD2 4.22Å; L211-L218 WeakPolarHBondContact O-CA 3.19Å; L211-L219 HydrophobicContact CB-CB 4.15Å; L211-L219 HydrophobicContact CD1-CB 4.37Å; L211-L219 PolarHBondContact N-O 3.02Å; L211-L219 PolarHBondContact O-N 2.75Å; L211-M221 HydrophobicContact CD1-CB 4.04Å; L211-L246 HydrophobicContact CD1-CD1 3.54Å |
| 212 | G | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I198 S199 C200 | I198-G212 WeakPolarHBondContact CA-O 3.48Å; S199-G212 PolarHBondContact N-O 3.06Å; S199-G212 PolarHBondContact OG-O 3.19Å; S199-G212 VanDerWaalsContact OG-O 3.06Å; C200-G212 PolarHBondContact N-O 2.74Å; C200-G212 PolarHBondContact O-N 3.38Å |
| 213 | T | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 158.3 | 177.5 | 87.1 | 0 | 0 | 0 | 0 | 112.3 | N196 Y197 E215 G216 F217 L219 I272 | N196-T213 HydrophobicContact CB-CG2 3.77Å; Y197-T213 CarbonylContact O-C 3.59Å; Y197-T213 VanDerWaalsContact O-CA 3.23Å; Y197-T213 WeakPolarHBondContact O-CA 3.46Å; Y197-T213 WeakPolarHBondContact O-CB 3.49Å; T213-E215 WeakPolarHBondContact CB-OE2 3.3Å; T213-E215 PolarHBondContact O-N 3.35Å; T213-E215 PolarHBondContact OG1-N 2.68Å; T213-E215 PolarHBondContact OG1-OE2 2.87Å; T213-G216 PolarHBondContact O-N 2.76Å; T213-F217 HydrophobicContact CG2-CB 4.2Å; T213-F217 WeakPolarHBondContact CG2-O 3.33Å; T213-F217 PolarHBondContact N-O 2.93Å; T213-F217 PolarHBondContact OG1-N 3.37Å; T213-F217 VanDerWaalsContact OG1-N 3.14Å; T213-L219 HydrophobicContact CG2-CD1 3.58Å; T213-L219 HydrophobicContact CG2-CG 3.83Å; T213-I272 PolarHBondContact O-N 2.91Å; T213-I272 VanDerWaalsContact O-N 3.1Å |
| 214 | R | 89.1 | Confident | 89.5 | Confident | 160 Ų | 160 | 24.2 Ų | 24.2 | 60% | 0.604 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.7 | 175.8 | -171.8 | 178.9 | 175.8 | -176.8 | -0 | 112.6 | Y197 G216 S271 | Y197-R214 HydrophobicContact CD1-CB 4.06Å; Y197-R214 HydrophobicContact CG-CB 4.39Å; Y197-R214 PolarHBondContact O-N 2.83Å; R214-G216 PolarHBondContact O-N 2.86Å; R214-S271 VanDerWaalsContact O-CA 3.26Å; R214-S271 WeakPolarHBondContact O-CA 3.47Å |
| 215 | E | 84.1 | Confident | 89.2 | Confident | 61 Ų | 61 | 27.6 Ų | 27.6 | 29% | 0.285 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.4 | 177.3 | -54 | 74 | -154.3 | 0 | 0 | 112.5 | Y197 T213 F217 G269 | Y197-E215 PolarHBondContact N-OE1 3.26Å; Y197-E215 PolarHBondContact N-OE2 3.37Å; T213-E215 WeakPolarHBondContact CB-OE2 3.3Å; T213-E215 PolarHBondContact O-N 3.35Å; T213-E215 PolarHBondContact OG1-N 2.68Å; T213-E215 PolarHBondContact OG1-OE2 2.87Å; E215-F217 HydrophobicContact CB-CD2 3.82Å; E215-F217 HydrophobicContact CB-CE2 3.77Å; E215-G269 WeakPolarHBondContact O-CA 3.43Å |
| 216 | G | 85.6 | Confident | 89.2 | Confident | 23 Ų | 23 | 25.9 Ų | 25.9 | 24% | 0.237 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 88.8 | 19.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T213 R214 D270 | T213-G216 PolarHBondContact O-N 2.76Å; R214-G216 PolarHBondContact O-N 2.86Å; G216-D270 WeakPolarHBondContact CA-O 3.13Å |
| 217 | F | 88.4 | Confident | 89 | Confident | 44 Ų | 44 | 25.6 Ų | 25.6 | 19% | 0.193 | 14% | 0.139 | C | C | . | . | trans | -95.6 | 137.9 | 175.8 | -57.3 | -51.4 | 0 | 0 | 0 | 111.5 | T213 E215 L219 V251 | T213-F217 HydrophobicContact CG2-CB 4.2Å; T213-F217 WeakPolarHBondContact CG2-O 3.33Å; T213-F217 PolarHBondContact N-O 2.93Å; T213-F217 PolarHBondContact OG1-N 3.37Å; T213-F217 VanDerWaalsContact OG1-N 3.14Å; E215-F217 HydrophobicContact CB-CD2 3.82Å; E215-F217 HydrophobicContact CB-CE2 3.77Å; F217-L219 HydrophobicContact CB-CD2 4.12Å; F217-V251 HydrophobicContact CD1-CG2 4.46Å; F217-V251 HydrophobicContact CE1-CG2 4.38Å | ||
| 218 | L | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115.8 | 165.2 | -175.9 | 71.1 | 0 | 0 | 0 | 109.3 | F210 L211 N248 H249 S250 I272 L275 L284 Y296 F306 | F210-L218 HydrophobicContact CB-CD1 4.45Å; L211-L218 WeakPolarHBondContact O-CA 3.19Å; L218-N248 PolarHBondContact O-OD1 2.91Å; L218-H249 PolarHBondContact O-N 2.85Å; L218-S250 WeakPolarHBondContact CB-OG 3Å; L218-S250 PolarHBondContact N-OG 2.77Å; L218-I272 HydrophobicContact CB-CD1 4.23Å; L218-L275 HydrophobicContact CD1-CD1 4Å; L218-L275 HydrophobicContact CD1-CD2 3.69Å; L218-L284 HydrophobicContact CD1-CD2 4.12Å; L218-L284 HydrophobicContact CD2-CD2 3.82Å; L218-Y296 HydrophobicContact CD2-CD1 4.1Å; L218-Y296 HydrophobicContact CD2-CD2 3.96Å; L218-Y296 HydrophobicContact CD2-CE1 3.83Å; L218-Y296 HydrophobicContact CD2-CE2 3.72Å; L218-Y296 HydrophobicContact CD2-CG 4.16Å; L218-F306 HydrophobicContact CD2-CE1 3.69Å; L218-F306 HydrophobicContact CD2-CZ 3.42Å; L218-F306 VanDerWaalsContact CD2-CZ 3.42Å |
| 219 | L | 91.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 154.8 | 176.7 | -41.7 | 174 | 0 | 0 | 0 | 110.2 | N196 F210 L211 T213 F217 L246 V247 N248 | N196-L219 HydrophobicContact CB-CD1 4.29Å; F210-L219 WeakPolarHBondContact CA-O 3.41Å; L211-L219 HydrophobicContact CB-CB 4.15Å; L211-L219 HydrophobicContact CD1-CB 4.37Å; L211-L219 PolarHBondContact N-O 3.02Å; L211-L219 PolarHBondContact O-N 2.75Å; T213-L219 HydrophobicContact CG2-CD1 3.58Å; T213-L219 HydrophobicContact CG2-CG 3.83Å; F217-L219 HydrophobicContact CB-CD2 4.12Å; L219-L246 HydrophobicContact CB-CD1 3.88Å; L219-L246 HydrophobicContact CB-CG 4.44Å; L219-L246 HydrophobicContact CD1-CD1 4.15Å; L219-L246 HydrophobicContact CD1-CD2 4.07Å; L219-L246 HydrophobicContact CD1-CG 4.26Å; L219-V247 CarbonylContact C-O 3.59Å; L219-V247 VanDerWaalsContact CA-O 3.25Å; L219-V247 WeakPolarHBondContact CA-O 3.45Å; L219-N248 HydrophobicContact CD2-CB 3.48Å; L219-N248 VanDerWaalsContact CD2-CB 3.48Å; L219-N248 WeakPolarHBondContact CD2-ND2 3.43Å |
| 220 | E | 91.3 | Very high | 86.3 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.8 | 169.8 | 177.2 | 172.1 | -162.8 | 0 | 0 | 109.3 | R208 I209 F210 T222 V247 H249 | R208-E220 IonicContact CZ-OE1 2.58Å; R208-E220 IonicContact NE-OE1 3.86Å; R208-E220 PolarHBondContact NE-OE1 3.19Å; R208-E220 IonicContact NH2-OE1 3.79Å; R208-E220 PolarHBondContact NH2-OE1 2.77Å; R208-E220 IonicContact NH2-OE2 3.83Å; R208-E220 PolarHBondContact NH2-OE2 3.15Å; I209-E220 WeakPolarHBondContact O-CA 3.28Å; F210-E220 HydrophobicContact CD1-CB 4.06Å; F210-E220 HydrophobicContact CD1-CG 4.21Å; F210-E220 HydrophobicContact CE1-CB 4.17Å; F210-E220 HydrophobicContact CE1-CG 4.03Å; E220-T222 HydrophobicContact CG-CG2 4.15Å; E220-V247 PolarHBondContact N-O 3.04Å; E220-V247 PolarHBondContact O-N 3Å; E220-H249 WeakPolarHBondContact CB-NE2 3.4Å; E220-H249 IonicContact OE2-CD2 3.8Å; E220-H249 IonicContact OE2-CE1 3.87Å; E220-H249 IonicContact OE2-NE2 2.66Å; E220-H249 PolarHBondContact OE2-NE2 3.47Å |
| 221 | M | 91.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.5 | 172.8 | -177.2 | -178.7 | -176.3 | 0 | 0 | 109.1 | I156 L158 L191 I209 L211 T245 L246 | I156-M221 HydrophobicContact CG2-CE 4.36Å; I156-M221 HydrophobicContact CG2-SD 3.94Å; L158-M221 HydrophobicContact CD1-CE 3.21Å; L158-M221 HydrophobicContact CD1-SD 3.86Å; L158-M221 HydrophobicContact CG-CE 3.93Å; L158-M221 HydrophobicContact CG-SD 4.45Å; L191-M221 HydrophobicContact CD1-CE 3.52Å; L191-M221 HydrophobicContact CD1-CG 3.83Å; L191-M221 HydrophobicContact CD1-SD 4.15Å; L191-M221 HydrophobicContact CG-CE 4.04Å; I209-M221 HydrophobicContact CB-CB 4.23Å; I209-M221 HydrophobicContact CD1-SD 4.43Å; I209-M221 HydrophobicContact CG2-CB 4.38Å; I209-M221 PolarHBondContact O-N 3.23Å; L211-M221 HydrophobicContact CD1-CB 4.04Å; M221-T245 WeakPolarHBondContact CA-O 3.4Å; M221-L246 HydrophobicContact CB-CD1 4.32Å |
| 222 | T | 89.7 | Confident | 83.3 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 24% | 0.239 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.1 | 174.1 | 75.7 | 0 | 0 | 0 | 0 | 110.2 | E220 C244 T245 | E220-T222 HydrophobicContact CG-CG2 4.15Å; T222-C244 CarbonylContact O-C 3.53Å; T222-C244 WeakPolarHBondContact O-CA 3.31Å; T222-C244 VanDerWaalsContact O-CB 3.31Å; T222-C244 WeakPolarHBondContact O-CB 3.27Å; T222-T245 PolarHBondContact N-O 2.82Å; T222-T245 PolarHBondContact O-N 3.49Å; T222-T245 PolarHBondContact OG1-OG1 2.92Å |
| 223 | Y | 89.8 | Confident | 81.9 | Confident | 13 Ų | 13 | 52 Ų | 52 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.3 | 177 | 60.2 | -85 | 0 | 0 | 0 | 109.9 | P135 S136 T139 L140 L147 Y189 G207 I209 | P135-Y223 WeakPolarHBondContact CA-OH 3.31Å; S136-Y223 PolarHBondContact N-OH 3.49Å; S136-Y223 WeakPolarHBondContact OG-CE2 3.16Å; S136-Y223 PolarHBondContact OG-OH 3.29Å; T139-Y223 HydrophobicContact CG2-CD2 4.06Å; T139-Y223 HydrophobicContact CG2-CE2 4.13Å; L140-Y223 HydrophobicContact CD1-CE2 4.5Å; L147-Y223 HydrophobicContact CD1-CE2 4.21Å; Y189-Y223 HydrophobicContact CE2-CD2 4.34Å; G207-Y223 WeakPolarHBondContact O-CE1 3.3Å; G207-Y223 PolarHBondContact O-OH 2.95Å; I209-Y223 HydrophobicContact CD1-CD1 3.75Å; I209-Y223 HydrophobicContact CD1-CE1 3.58Å; I209-Y223 HydrophobicContact CG1-CE1 4.13Å |
| 224 | S | 87.3 | Confident | 80.5 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | trans | -133.5 | 166.5 | -177.3 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | Y189 I226 Y243 | Y189-S224 WeakPolarHBondContact CE1-O 3.29Å; Y189-S224 PolarHBondContact OH-O 2.95Å; S224-I226 PolarHBondContact O-N 3.15Å; S224-Y243 PolarHBondContact N-O 2.85Å; S224-Y243 WeakPolarHBondContact OG-CB 3.49Å; S224-Y243 PolarHBondContact OG-O 3.4Å | ||
| 225 | S | 83.5 | Confident | 79.5 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 137 | -178.7 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | T139 P227 | T139-S225 VanDerWaalsContact O-CA 3.24Å; T139-S225 WeakPolarHBondContact O-CA 3.3Å; T139-S225 VanDerWaalsContact O-CB 3.32Å; T139-S225 WeakPolarHBondContact O-CB 3.41Å; S225-P227 WeakPolarHBondContact O-CD 3.23Å |
| 226 | I | 83.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 121.9 | 177.2 | -53.5 | -173.7 | 0 | 0 | 0 | 108.6 | L140 L188 S224 N228 W229 P237 | L140-I226 HydrophobicContact CD2-CD1 4.32Å; L140-I226 HydrophobicContact CD2-CG1 4.27Å; L188-I226 HydrophobicContact CB-CD1 4.28Å; L188-I226 HydrophobicContact CD2-CD1 3.92Å; S224-I226 PolarHBondContact O-N 3.15Å; I226-N228 PolarHBondContact O-N 3.28Å; I226-W229 HydrophobicContact CB-CB 4.34Å; I226-W229 HydrophobicContact CB-CE3 4.06Å; I226-W229 HydrophobicContact CD1-CE3 3.75Å; I226-W229 HydrophobicContact CD1-CZ3 3.67Å; I226-W229 HydrophobicContact CG1-CE3 4.16Å; I226-W229 HydrophobicContact CG1-CZ3 4.43Å; I226-W229 HydrophobicContact CG2-CB 4.46Å; I226-W229 PolarHBondContact O-N 3.36Å; I226-P237 HydrophobicContact CG2-CG 4.38Å |
| 227 | P | 77.2 | Confident | 77.9 | Confident | 53 Ų | 53 | 56 Ų | 56 | 34% | 0.344 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 134.9 | -178.5 | 22.8 | -30.4 | 0 | 0 | 0 | 111.4 | S225 Y243 | S225-P227 WeakPolarHBondContact O-CD 3.23Å; P227-Y243 HydrophobicContact CG-CE2 4.38Å |
| 228 | N | 72.5 | Confident | 76.7 | Confident | 133 Ų | 133 | 60.6 Ų | 60.6 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 26.7 | -179.5 | -44.2 | -44.2 | 0 | 0 | 0 | 115.6 | I226 | I226-N228 PolarHBondContact O-N 3.28Š|
| 229 | W | 74.3 | Confident | 75.2 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 9% | 0.087 | 39% | 0.388 | C | S | . | . | trans | -115.3 | 92.9 | 171.5 | -170.7 | 31.6 | 0 | 0 | 0 | 110.5 | L140 P141 H143 I144 L188 I226 G231 S233 P236 | L140-W229 HydrophobicContact CD2-CE3 4.38Å; L140-W229 HydrophobicContact CD2-CZ3 3.86Å; P141-W229 HydrophobicContact CG-CD2 3.66Å; P141-W229 HydrophobicContact CG-CE3 3.73Å; P141-W229 HydrophobicContact CG-CG 4.35Å; P141-W229 HydrophobicContact CG-CH2 4.16Å; P141-W229 HydrophobicContact CG-CZ2 3.97Å; P141-W229 HydrophobicContact CG-CZ3 4Å; H143-W229 AromaticContact CE1-CZ2 3.83Å; H143-W229 AromaticContact NE2-CZ2 3.54Å; I144-W229 HydrophobicContact CD1-CH2 3.27Å; I144-W229 HydrophobicContact CD1-CZ2 4.15Å; I144-W229 HydrophobicContact CD1-CZ3 3.89Å; I144-W229 HydrophobicContact CG1-CH2 4.37Å; L188-W229 HydrophobicContact CD2-CH2 3.85Å; L188-W229 HydrophobicContact CD2-CZ3 3.93Å; I226-W229 HydrophobicContact CB-CB 4.34Å; I226-W229 HydrophobicContact CB-CE3 4.06Å; I226-W229 HydrophobicContact CD1-CE3 3.75Å; I226-W229 HydrophobicContact CD1-CZ3 3.67Å; I226-W229 HydrophobicContact CG1-CE3 4.16Å; I226-W229 HydrophobicContact CG1-CZ3 4.43Å; I226-W229 HydrophobicContact CG2-CB 4.46Å; I226-W229 PolarHBondContact O-N 3.36Å; W229-G231 PolarHBondContact O-N 3.04Å; W229-S233 PolarHBondContact NE1-O 2.79Å; W229-P236 HydrophobicContact CD2-CB 4.41Å; W229-P236 HydrophobicContact CH2-CB 4.27Å; W229-P236 HydrophobicContact CZ2-CB 4.27Å; W229-P236 HydrophobicContact CZ3-CB 4.47Å | ||
| 230 | D | 65.4 | Low | 73.8 | Confident | 153 Ų | 153 | 70.3 Ų | 70.3 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | trans | -82.3 | 5.9 | -174.9 | -63.9 | -19.6 | 0 | 0 | 0 | 113.2 | D232 | D230-D232 VanDerWaalsContact C-N 3.34Å; D230-D232 PolarHBondContact O-N 3.2Å | ||
| 231 | G | 64.1 | Low | 72.8 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 22% | 0.216 | 44% | 0.435 | C | S | . | . | S | Bend | trans | 85.3 | -11.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | H143 W229 S233 | H143-G231 PolarHBondContact ND1-O 3.38Å; W229-G231 PolarHBondContact O-N 3.04Å; G231-S233 VanDerWaalsContact C-N 3.35Å |
| 232 | D | 61.6 | Low | 71.9 | Confident | 165 Ų | 165 | 73.8 Ų | 73.8 | 88% | 0.882 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -72.2 | -24.6 | 178.2 | -81.4 | -15 | 0 | 0 | 0 | 113.8 | D230 | D230-D232 VanDerWaalsContact C-N 3.34Å; D230-D232 PolarHBondContact O-N 3.2Å |
| 233 | S | 64.4 | Low | 71.6 | Confident | 67 Ų | 67 | 80.4 Ų | 80.4 | 47% | 0.469 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -98.2 | 128.3 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | W229 G231 Q235 | W229-S233 PolarHBondContact NE1-O 2.79Å; G231-S233 VanDerWaalsContact C-N 3.35Å; S233-Q235 PolarHBondContact O-N 2.88Å; S233-Q235 PolarHBondContact OG-N 3.38Å; S233-Q235 PolarHBondContact OG-O 2.85Å |
| 234 | L | 64.8 | Low | 71.4 | Confident | 117 Ų | 117 | 81 Ų | 81 | 61% | 0.613 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -61.9 | -24.6 | 174.1 | -71.5 | 169.9 | 0 | 0 | 0 | 112.8 | M162 | M162-L234 HydrophobicContact SD-CD2 4.09Š|
| 235 | Q | 67.2 | Low | 71.4 | Confident | 140 Ų | 140 | 82.4 Ų | 82.4 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -106.2 | 135.8 | 177.8 | -68.3 | -177.6 | -5.1 | 0 | 0 | 111 | S233 | S233-Q235 PolarHBondContact O-N 2.88Å; S233-Q235 PolarHBondContact OG-N 3.38Å; S233-Q235 PolarHBondContact OG-O 2.85Å |
| 236 | P | 68.7 | Low | 71.7 | Confident | 28 Ų | 28 | 80.2 Ų | 80.2 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 157.1 | 174.5 | 30.4 | -35.1 | 0 | 0 | 0 | 109.7 | M184 L188 W229 V238 | M184-P236 HydrophobicContact CE-CG 3.61Å; L188-P236 HydrophobicContact CD2-CB 4.28Å; L188-P236 HydrophobicContact CD2-CG 4.05Å; W229-P236 HydrophobicContact CD2-CB 4.41Å; W229-P236 HydrophobicContact CH2-CB 4.27Å; W229-P236 HydrophobicContact CZ2-CB 4.27Å; W229-P236 HydrophobicContact CZ3-CB 4.47Å; P236-V238 PolarHBondContact O-N 2.49Å; P236-V238 VanDerWaalsContact O-N 3.11Å |
| 237 | P | 66.7 | Low | 71.9 | Confident | 43 Ų | 43 | 82.8 Ų | 82.8 | 28% | 0.279 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 119.3 | 177.4 | 20.7 | -29.7 | 0 | 0 | 0 | 111 | I226 G239 K240 | I226-P237 HydrophobicContact CG2-CG 4.38Å; P237-G239 PolarHBondContact O-N 3.01Å; P237-K240 PolarHBondContact O-N 3.04Å |
| 238 | V | 63.3 | Low | 72.3 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 85% | 0.848 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 126.7 | -173.2 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | P236 | P236-V238 PolarHBondContact O-N 2.49Å; P236-V238 VanDerWaalsContact O-N 3.11Å |
| 239 | G | 62.1 | Low | 72.8 | Confident | 81 Ų | 81 | 79 Ų | 79 | 84% | 0.835 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 12.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | P237 | P237-G239 PolarHBondContact O-N 3.01Š|
| 240 | K | 61.3 | Low | 72.9 | Confident | 126 Ų | 126 | 79.1 Ų | 79.1 | 55% | 0.548 | 45% | 0.448 | S | S | . | . | trans | -121.8 | 105.7 | 174.7 | -71.9 | -174.6 | 178.2 | 179.3 | 0 | 111.7 | P237 | P237-K240 PolarHBondContact O-N 3.04Š| ||
| 241 | T | 70.1 | Confident | 73 | Confident | 80 Ų | 80 | 74.3 Ų | 74.3 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 143.7 | 167.1 | 55.9 | 0 | 0 | 0 | 0 | 110 | L188 | L188-T241 WeakPolarHBondContact O-CA 3.46Š|
| 242 | G | 73 | Confident | 72.6 | Confident | 3 Ų | 3 | 76.9 Ų | 76.9 | 3% | 0.031 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -67 | 162.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L188 Y189 C244 | L188-G242 PolarHBondContact O-N 2.53Å; Y189-G242 WeakPolarHBondContact CD1-O 3.44Å; Y189-G242 VanDerWaalsContact CE1-CA 3.45Å; G242-C244 PolarHBondContact O-N 3.25Å |
| 243 | Y | 82.6 | Confident | 72.2 | Confident | 179 Ų | 179 | 73 Ų | 73 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 128.9 | 176.4 | -60 | -84.5 | 0 | 0 | 0 | 110 | S224 P227 | S224-Y243 PolarHBondContact N-O 2.85Å; S224-Y243 WeakPolarHBondContact OG-CB 3.49Å; S224-Y243 PolarHBondContact OG-O 3.4Å; P227-Y243 HydrophobicContact CG-CE2 4.38Å |
| 244 | C | 86 | Confident | 71.5 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.6 | 178.3 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | Y189 L191 T222 G242 | Y189-C244 HydrophobicContact CD1-CB 3.98Å; L191-C244 HydrophobicContact CD1-CB 3.98Å; L191-C244 HydrophobicContact CD2-CB 4.21Å; L191-C244 WeakPolarHBondContact CD2-SG 3.38Å; L191-C244 HydrophobicContact CG-CB 4.15Å; L191-C244 WeakPolarHBondContact CG-SG 3.41Å; T222-C244 CarbonylContact O-C 3.53Å; T222-C244 WeakPolarHBondContact O-CA 3.31Å; T222-C244 VanDerWaalsContact O-CB 3.31Å; T222-C244 WeakPolarHBondContact O-CB 3.27Å; G242-C244 PolarHBondContact O-N 3.25Å |
| 245 | T | 87.9 | Confident | 71.1 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 45% | 0.454 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.6 | 178.7 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | M221 T222 | M221-T245 WeakPolarHBondContact CA-O 3.4Å; T222-T245 PolarHBondContact N-O 2.82Å; T222-T245 PolarHBondContact O-N 3.49Å; T222-T245 PolarHBondContact OG1-OG1 2.92Å |
| 246 | L | 89.3 | Confident | 70.5 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 14% | 0.141 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.3 | 175.5 | -170.4 | 63.2 | 0 | 0 | 0 | 108.6 | I156 L191 E194 L211 L219 M221 | I156-L246 HydrophobicContact CD1-CD1 4.32Å; I156-L246 HydrophobicContact CD1-CD2 4.45Å; L191-L246 HydrophobicContact CD1-CB 4.43Å; E194-L246 HydrophobicContact CG-CD2 4.43Å; L211-L246 HydrophobicContact CD1-CD1 3.54Å; L219-L246 HydrophobicContact CB-CD1 3.88Å; L219-L246 HydrophobicContact CB-CG 4.44Å; L219-L246 HydrophobicContact CD1-CD1 4.15Å; L219-L246 HydrophobicContact CD1-CD2 4.07Å; L219-L246 HydrophobicContact CD1-CG 4.26Å; M221-L246 HydrophobicContact CB-CD1 4.32Å |
| 247 | V | 87.3 | Confident | 69.9 | Low | 61 Ų | 61 | 77.9 Ų | 77.9 | 37% | 0.37 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.1 | -175.9 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L219 E220 | L219-V247 CarbonylContact C-O 3.59Å; L219-V247 VanDerWaalsContact CA-O 3.25Å; L219-V247 WeakPolarHBondContact CA-O 3.45Å; E220-V247 PolarHBondContact N-O 3.04Å; E220-V247 PolarHBondContact O-N 3Å |
| 248 | N | 86.6 | Confident | 69.3 | Low | 49 Ų | 49 | 80.1 Ų | 80.1 | 26% | 0.262 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.9 | 176.5 | -168.2 | -25.8 | 0 | 0 | 0 | 111.5 | L218 L219 S250 V251 | L218-N248 PolarHBondContact O-OD1 2.91Å; L219-N248 HydrophobicContact CD2-CB 3.48Å; L219-N248 VanDerWaalsContact CD2-CB 3.48Å; L219-N248 WeakPolarHBondContact CD2-ND2 3.43Å; N248-S250 WeakPolarHBondContact OD1-CB 3.46Å; N248-S250 PolarHBondContact OD1-N 3.38Å; N248-V251 HydrophobicContact CB-CG2 4.1Å; N248-V251 VanDerWaalsContact ND2-CG2 3.29Å; N248-V251 WeakPolarHBondContact ND2-CG2 3.08Å; N248-V251 WeakPolarHBondContact OD1-CG2 3.09Å |
| 249 | H | 83.3 | Confident | 68.7 | Low | 59 Ų | 59 | 77.4 Ų | 77.4 | 27% | 0.273 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -87.5 | -10 | -178.7 | -73.6 | -67.5 | 0 | 0 | 0 | 114.1 | L218 E220 F306 | L218-H249 PolarHBondContact O-N 2.85Å; E220-H249 WeakPolarHBondContact CB-NE2 3.4Å; E220-H249 IonicContact OE2-CD2 3.8Å; E220-H249 IonicContact OE2-CE1 3.87Å; E220-H249 IonicContact OE2-NE2 2.66Å; E220-H249 PolarHBondContact OE2-NE2 3.47Å; H249-F306 HydrophobicContact CB-CD1 3.73Å; H249-F306 HydrophobicContact CB-CE1 3.73Å; H249-F306 AromaticContact CD2-CD1 3.69Å; H249-F306 AromaticContact CE1-CD1 3.82Å; H249-F306 AromaticContact CE1-CG 3.98Å; H249-F306 AromaticContact CG-CD1 3.37Å; H249-F306 AromaticContact CG-CE1 3.81Å; H249-F306 AromaticContact ND1-CD1 3.48Å; H249-F306 WeakPolarHBondContact ND1-CD1 3.48Å; H249-F306 AromaticContact NE2-CD1 3.93Å |
| 250 | S | 74.4 | Confident | 68.4 | Low | 24 Ų | 24 | 78 Ų | 78 | 17% | 0.168 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -88 | -13 | -176.8 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | L218 N248 S252 | L218-S250 WeakPolarHBondContact CB-OG 3Å; L218-S250 PolarHBondContact N-OG 2.77Å; N248-S250 WeakPolarHBondContact OD1-CB 3.46Å; N248-S250 PolarHBondContact OD1-N 3.38Å; S250-S252 PolarHBondContact O-N 3.42Å |
| 251 | V | 67.9 | Low | 68.4 | Low | 53 Ų | 53 | 78.5 Ų | 78.5 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -89.9 | 105.9 | -176.9 | -177.3 | 0 | 0 | 0 | 0 | 108 | F217 N248 S255 | F217-V251 HydrophobicContact CD1-CG2 4.46Å; F217-V251 HydrophobicContact CE1-CG2 4.38Å; N248-V251 HydrophobicContact CB-CG2 4.1Å; N248-V251 VanDerWaalsContact ND2-CG2 3.29Å; N248-V251 WeakPolarHBondContact ND2-CG2 3.08Å; N248-V251 WeakPolarHBondContact OD1-CG2 3.09Å; V251-S255 WeakPolarHBondContact CG1-OG 3.31Å |
| 252 | S | 55.5 | Low | 67.9 | Low | 75 Ų | 75 | 78.5 Ų | 78.5 | 52% | 0.524 | 44% | 0.443 | S | S | . | . | trans | -63.1 | 138 | 174.1 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | S250 L254 S255 | S250-S252 PolarHBondContact O-N 3.42Å; S252-L254 PolarHBondContact O-N 3.06Å; S252-S255 PolarHBondContact O-N 3.37Å; S252-S255 PolarHBondContact O-OG 3.36Å | ||
| 253 | A | 54.1 | Low | 66.9 | Low | 82 Ų | 82 | 80.1 Ų | 80.1 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -19.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 254 | L | 50.6 | Low | 65.5 | Low | 123 Ų | 123 | 75.5 Ų | 75.5 | 64% | 0.644 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.2 | 175.6 | -64.3 | 174.2 | 0 | 0 | 0 | 114.9 | S252 L256 L257 | S252-L254 PolarHBondContact O-N 3.06Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 3.45Å; L254-L257 PolarHBondContact O-N 2.88Å |
| 255 | S | 55.4 | Low | 63.8 | Low | 35 Ų | 35 | 84.6 Ų | 84.6 | 25% | 0.245 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -73.5 | -20.3 | 178 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | V251 S252 L257 | V251-S255 WeakPolarHBondContact CG1-OG 3.31Å; S252-S255 PolarHBondContact O-N 3.37Å; S252-S255 PolarHBondContact O-OG 3.36Å; S255-L257 PolarHBondContact O-N 2.9Å |
| 256 | L | 55 | Low | 61.9 | Low | 152 Ų | 152 | 89.6 Ų | 89.6 | 80% | 0.796 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -68.1 | -17.8 | 169.8 | -94.7 | 129.1 | 0 | 0 | 0 | 113 | L254 | L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 3.45Å |
| 257 | L | 56 | Low | 60.1 | Low | 145 Ų | 145 | 93 Ų | 93 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -106.1 | -3.2 | -175.5 | -70.9 | 161.3 | 0 | 0 | 0 | 113.5 | L254 S255 | L254-L257 PolarHBondContact O-N 2.88Å; S255-L257 PolarHBondContact O-N 2.9Å |
| 258 | L | 53.1 | Low | 58.5 | Low | 91 Ų | 91 | 97.7 Ų | 97.7 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -112.7 | 139.1 | -177.2 | -73.2 | 163.2 | 0 | 0 | 0 | 111.2 | T263 | L258-T263 HydrophobicContact CB-CG2 3.97Š|
| 259 | P | 51.9 | Low | 57.4 | Low | 82 Ų | 82 | 97.7 Ų | 97.7 | 53% | 0.532 | 54% | 0.542 | S | S | . | . | trans | -56.8 | 140.9 | 175.6 | -22.6 | 31.2 | 0 | 0 | 0 | 112.6 | I261 I262 T263 | P259-I261 PolarHBondContact O-N 3.31Å; P259-I262 PolarHBondContact O-N 2.93Å; P259-T263 PolarHBondContact O-N 3.16Å | ||
| 260 | S | 55.8 | Low | 57.4 | Low | 93 Ų | 93 | 96.2 Ų | 96.2 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.8 | -22.6 | -176.9 | 42.4 | 0 | 0 | 0 | 0 | 115.3 | I262 T263 S264 | S260-I262 VanDerWaalsContact C-N 3.31Å; S260-I262 PolarHBondContact O-N 3.32Å; S260-T263 WeakPolarHBondContact CA-OG1 3.38Å; S260-T263 PolarHBondContact O-OG1 3.15Å; S260-S264 WeakPolarHBondContact O-CB 3.43Å; S260-S264 PolarHBondContact O-N 3.47Å; S260-S264 PolarHBondContact O-OG 2.98Å |
| 261 | I | 61.5 | Low | 58.1 | Low | 137 Ų | 137 | 95.7 Ų | 95.7 | 70% | 0.703 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.6 | -27.9 | 176.1 | -64.5 | 162.5 | 0 | 0 | 0 | 112 | P259 | P259-I261 PolarHBondContact O-N 3.31Å |
| 262 | I | 57.8 | Low | 59.4 | Low | 81 Ų | 81 | 93.3 Ų | 93.3 | 42% | 0.415 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -88.5 | -39.3 | -179.9 | -56.9 | 177.5 | 0 | 0 | 0 | 110 | P259 S260 F266 | P259-I262 PolarHBondContact O-N 2.93Å; S260-I262 VanDerWaalsContact C-N 3.31Å; S260-I262 PolarHBondContact O-N 3.32Å; I262-F266 HydrophobicContact CG2-CD2 4.27Å; I262-F266 HydrophobicContact CG2-CE2 4.04Å; I262-F266 VanDerWaalsContact O-CD2 3.24Å; I262-F266 WeakPolarHBondContact O-CD2 3.5Å |
| 263 | T | 53.7 | Low | 61.1 | Low | 37 Ų | 37 | 93.2 Ų | 93.2 | 23% | 0.227 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -71.1 | -32.2 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | L258 P259 S260 R265 H267 | L258-T263 HydrophobicContact CB-CG2 3.97Å; P259-T263 PolarHBondContact O-N 3.16Å; S260-T263 WeakPolarHBondContact CA-OG1 3.38Å; S260-T263 PolarHBondContact O-OG1 3.15Å; T263-R265 VanDerWaalsContact C-N 3.35Å; T263-R265 PolarHBondContact O-N 3Å; T263-H267 PolarHBondContact O-CD2 3.4Å |
| 264 | S | 52.9 | Low | 63 | Low | 81 Ų | 81 | 91.5 Ų | 91.5 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.3 | -18.8 | 179.8 | 51.8 | 0 | 0 | 0 | 0 | 115.4 | S260 | S260-S264 WeakPolarHBondContact O-CB 3.43Å; S260-S264 PolarHBondContact O-N 3.47Å; S260-S264 PolarHBondContact O-OG 2.98Å |
| 265 | R | 49.4 | Very low | 65.1 | Low | 216 Ų | 216 | 86.1 Ų | 86.1 | 82% | 0.815 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -93 | -15.8 | 177.8 | -84.3 | -168.8 | -176.8 | -178.9 | 2.5 | 114.8 | T263 | T263-R265 VanDerWaalsContact C-N 3.35Å; T263-R265 PolarHBondContact O-N 3Å |
| 266 | F | 48.1 | Very low | 67 | Low | 178 Ų | 178 | 84.8 Ų | 84.8 | 78% | 0.781 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -98.1 | -12.1 | 178 | -71.3 | -71.4 | 0 | 0 | 0 | 113.2 | I262 | I262-F266 HydrophobicContact CG2-CD2 4.27Å; I262-F266 HydrophobicContact CG2-CE2 4.04Å; I262-F266 VanDerWaalsContact O-CD2 3.24Å; I262-F266 WeakPolarHBondContact O-CD2 3.5Å |
| 267 | H | 51.5 | Low | 68.7 | Low | 100 Ų | 100 | 78.7 Ų | 78.7 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | trans | -94.6 | 94.4 | 167.8 | -78.2 | -76.3 | 0 | 0 | 0 | 109.6 | T263 G269 | T263-H267 PolarHBondContact O-CD2 3.4Å; H267-G269 PolarHBondContact O-N 3.26Å | ||
| 268 | N | 54.4 | Low | 70.4 | Confident | 158 Ų | 158 | 71.9 Ų | 71.9 | 85% | 0.845 | 39% | 0.385 | S | S | * | . | trans | -69.9 | 93.3 | 151.3 | -84.2 | 0.6 | 0 | 0 | 0 | 105.5 | D270 | N268-D270 PolarHBondContact O-N 3.4Š| ||
| 269 | G | 63.1 | Low | 71.8 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | trans | -66.4 | 99.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | E215 H267 | E215-G269 WeakPolarHBondContact O-CA 3.43Å; H267-G269 PolarHBondContact O-N 3.26Å | ||
| 270 | D | 82.6 | Confident | 73.2 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.15 | 37% | 0.369 | C | S | . | . | trans | -97.8 | 122.4 | 175.3 | -178.5 | 9.9 | 0 | 0 | 0 | 108.1 | G216 N268 I272 T288 E289 D290 | G216-D270 WeakPolarHBondContact CA-O 3.13Å; N268-D270 PolarHBondContact O-N 3.4Å; D270-I272 PolarHBondContact O-N 3.25Å; D270-T288 HydrophobicContact CB-CG2 4.37Å; D270-T288 VanDerWaalsContact CG-OG1 3.26Å; D270-T288 WeakPolarHBondContact OD1-CB 3.37Å; D270-T288 WeakPolarHBondContact OD2-CB 3.45Å; D270-T288 PolarHBondContact OD2-OG1 3.01Å; D270-E289 WeakPolarHBondContact OD1-CB 3.43Å; D270-E289 PolarHBondContact OD1-N 2.89Å; D270-E289 VanDerWaalsContact OD1-N 3.15Å; D270-D290 PolarHBondContact OD1-N 2.92Å; D270-D290 VanDerWaalsContact OD2-CB 3.25Å; D270-D290 WeakPolarHBondContact OD2-CB 3.35Å; D270-D290 PolarHBondContact OD2-N 3.24Å | ||
| 271 | S | 90.4 | Very high | 74.6 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | trans | -61.8 | 128.2 | -169.9 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | R214 I273 T288 E289 | R214-S271 VanDerWaalsContact O-CA 3.26Å; R214-S271 WeakPolarHBondContact O-CA 3.47Å; S271-I273 PolarHBondContact O-N 3.46Å; S271-T288 CarbonylContact O-C 3.52Å; S271-T288 WeakPolarHBondContact O-CA 3.37Å; S271-T288 WeakPolarHBondContact O-CB 3.43Å; S271-E289 PolarHBondContact O-N 2.7Å | ||
| 272 | I | 93.7 | Very high | 76 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 110.5 | 173.9 | -60.2 | 178.2 | 0 | 0 | 0 | 108.5 | S199 C200 T213 L218 D270 L275 T288 | S199-I272 WeakPolarHBondContact CB-O 3.36Å; S199-I272 PolarHBondContact OG-O 3.44Å; C200-I272 PolarHBondContact SG-O 3.09Å; C200-I272 VanDerWaalsContact SG-O 3.34Å; T213-I272 PolarHBondContact O-N 2.91Å; T213-I272 VanDerWaalsContact O-N 3.1Å; L218-I272 HydrophobicContact CB-CD1 4.23Å; D270-I272 PolarHBondContact O-N 3.25Å; I272-L275 HydrophobicContact CG2-CD2 3.96Å; I272-L275 HydrophobicContact CG2-CG 4.29Å; I272-T288 HydrophobicContact CG1-CG2 4.27Å |
| 273 | I | 92 | Very high | 77.7 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -31.9 | -176.4 | -60.6 | -171.3 | 0 | 0 | 0 | 111.9 | S271 R287 E289 | S271-I273 PolarHBondContact O-N 3.46Å; I273-R287 PolarHBondContact N-O 3.3Å; I273-E289 HydrophobicContact CD1-CB 3.51Å; I273-E289 HydrophobicContact CD1-CG 3.62Å; I273-E289 HydrophobicContact CG1-CB 4.08Å |
| 274 | Q | 94.2 | Very high | 79.6 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133.1 | -174.6 | -168.5 | -179.6 | 8.7 | 0 | 0 | 110.8 | S286 R287 I339 | Q274-S286 WeakPolarHBondContact O-CA 3.31Å; Q274-R287 HydrophobicContact CB-CB 4.18Å; Q274-R287 PolarHBondContact N-O 2.7Å; Q274-R287 VanDerWaalsContact N-O 3.17Å; Q274-R287 PolarHBondContact O-N 2.84Å; Q274-I339 VanDerWaalsContact CD-CG1 3.5Å; Q274-I339 HydrophobicContact CG-CG1 4.05Å; Q274-I339 PolarHBondContact NE2-O 3.14Å; Q274-I339 VanDerWaalsContact NE2-O 3.15Å; Q274-I339 VanDerWaalsContact OE1-N 3.09Å |
| 275 | L | 95.5 | Very high | 81.7 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143 | 166.1 | -67.3 | 175.8 | 0 | 0 | 0 | 108.5 | E202 F210 L218 I272 L284 Y285 | E202-L275 HydrophobicContact CB-CB 3.73Å; E202-L275 HydrophobicContact CB-CD1 4.31Å; E202-L275 HydrophobicContact CG-CB 4.38Å; F210-L275 HydrophobicContact CB-CD1 4.17Å; L218-L275 HydrophobicContact CD1-CD1 4Å; L218-L275 HydrophobicContact CD1-CD2 3.69Å; I272-L275 HydrophobicContact CG2-CD2 3.96Å; I272-L275 HydrophobicContact CG2-CG 4.29Å; L275-L284 HydrophobicContact CB-CD1 4.44Å; L275-Y285 WeakPolarHBondContact CA-O 3.16Å |
| 276 | A | 93.8 | Very high | 83.8 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y285 I339 P341 | A276-Y285 PolarHBondContact N-O 3.46Å; A276-Y285 PolarHBondContact O-N 3.49Å; A276-I339 HydrophobicContact CB-CD1 4.08Å; A276-I339 HydrophobicContact CB-CG1 4.37Å; A276-P341 HydrophobicContact CB-CG 4.33Å |
| 277 | V | 91.8 | Very high | 86 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.9 | -177.7 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | E202 T204 T279 L284 F298 | E202-V277 HydrophobicContact CG-CG2 3.89Å; T204-V277 HydrophobicContact CG2-CG1 4.08Å; T204-V277 HydrophobicContact CG2-CG2 4.42Å; V277-T279 HydrophobicContact CG1-CG2 3.9Å; V277-L284 HydrophobicContact CG2-CD1 3.64Å; V277-F298 HydrophobicContact CG1-CE1 3.98Å; V277-F298 HydrophobicContact CG1-CZ 3.92Å |
| 278 | D | 90.1 | Very high | 88 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 98.3 | 166 | 178.6 | 2.7 | 0 | 0 | 0 | 109.5 | S280 R281 H282 L283 Y285 P341 | D278-S280 VanDerWaalsContact C-N 3.26Å; D278-S280 PolarHBondContact O-N 3.17Å; D278-S280 WeakPolarHBondContact OD1-CB 3.14Å; D278-S280 PolarHBondContact OD1-N 3.03Å; D278-S280 PolarHBondContact OD1-OG 2.92Å; D278-R281 PolarHBondContact OD1-N 3.05Å; D278-R281 WeakPolarHBondContact OD2-CB 2.9Å; D278-R281 WeakPolarHBondContact OD2-CG 3.27Å; D278-R281 IonicContact OD2-CZ 3.3Å; D278-R281 IonicContact OD2-NH1 3.38Å; D278-R281 PolarHBondContact OD2-NH1 3.34Å; D278-H282 WeakPolarHBondContact O-CA 3.36Å; D278-H282 PolarHBondContact O-N 3.28Å; D278-L283 HydrophobicContact CB-CB 4.29Å; D278-L283 PolarHBondContact N-O 3.33Å; D278-L283 PolarHBondContact O-N 3.11Å; D278-Y285 HydrophobicContact CB-CE2 3.9Å; D278-P341 HydrophobicContact CB-CB 3.89Å |
| 279 | T | 83.1 | Confident | 89.8 | Confident | 45 Ų | 45 | 30.2 Ų | 30.2 | 28% | 0.276 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.6 | -179 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | P205 V277 | P205-T279 VanDerWaalsContact CD-CG2 3.49Å; P205-T279 HydrophobicContact CG-CG2 3.47Å; P205-T279 VanDerWaalsContact CG-CG2 3.47Å; V277-T279 HydrophobicContact CG1-CG2 3.9Å |
| 280 | S | 80.9 | Confident | 91 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 39% | 0.385 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -30.4 | -177.7 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | D278 | D278-S280 VanDerWaalsContact C-N 3.26Å; D278-S280 PolarHBondContact O-N 3.17Å; D278-S280 WeakPolarHBondContact OD1-CB 3.14Å; D278-S280 PolarHBondContact OD1-N 3.03Å; D278-S280 PolarHBondContact OD1-OG 2.92Å |
| 281 | R | 86 | Confident | 91.5 | Very high | 49 Ų | 49 | 32.4 Ų | 32.4 | 19% | 0.185 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 0.8 | -178.8 | -55.9 | -173.4 | -171.5 | 88.8 | -6.6 | 113.7 | D278 L283 L342 G345 C347 Y348 | D278-R281 PolarHBondContact OD1-N 3.05Å; D278-R281 WeakPolarHBondContact OD2-CB 2.9Å; D278-R281 WeakPolarHBondContact OD2-CG 3.27Å; D278-R281 IonicContact OD2-CZ 3.3Å; D278-R281 IonicContact OD2-NH1 3.38Å; D278-R281 PolarHBondContact OD2-NH1 3.34Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 HydrophobicContact CB-CD1 3.92Å; R281-L283 HydrophobicContact CB-CG 3.94Å; R281-L283 PolarHBondContact O-N 3Å; R281-L342 PolarHBondContact NH1-O 2.88Å; R281-L342 PolarHBondContact NH2-O 3.41Å; R281-L342 VanDerWaalsContact NH2-O 3.09Å; R281-G345 PolarHBondContact NH2-O 3.46Å; R281-C347 PolarHBondContact NH2-O 2.65Å; R281-Y348 VanDerWaalsContact CD-CE2 3.46Å |
| 282 | H | 90 | Very high | 91.6 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 26% | 0.255 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 46 | -174.6 | -43.5 | -80 | 0 | 0 | 0 | 112.9 | D278 F298 D300 | D278-H282 WeakPolarHBondContact O-CA 3.36Å; D278-H282 PolarHBondContact O-N 3.28Å; H282-F298 VanDerWaalsContact C-CD1 3.41Å; H282-F298 HydrophobicContact CB-CD2 4.38Å; H282-F298 HydrophobicContact CB-CE1 4.35Å; H282-F298 HydrophobicContact CB-CE2 4.16Å; H282-F298 HydrophobicContact CB-CZ 4.15Å; H282-F298 WeakPolarHBondContact CB-O 3.37Å; H282-F298 VanDerWaalsContact O-CD1 3.22Å; H282-F298 WeakPolarHBondContact O-CD1 3.29Å; H282-F298 PolarHBondContact O-N 2.72Å; H282-D300 IonicContact CE1-OD1 2.6Å; H282-D300 PolarHBondContact CE1-OD1 2.99Å; H282-D300 IonicContact CE1-OD2 3.14Å; H282-D300 PolarHBondContact CE1-OD2 3.5Å; H282-D300 IonicContact ND1-OD1 3.08Å; H282-D300 PolarHBondContact ND1-OD1 2.88Å; H282-D300 IonicContact ND1-OD2 2.91Å; H282-D300 IonicContact NE2-OD2 2.7Å |
| 283 | L | 93.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143.2 | 179.4 | -60.7 | 176 | 0 | 0 | 0 | 111 | D278 R281 Y285 V295 Y296 E297 F298 L309 Y348 | D278-L283 HydrophobicContact CB-CB 4.29Å; D278-L283 PolarHBondContact N-O 3.33Å; D278-L283 PolarHBondContact O-N 3.11Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 HydrophobicContact CB-CD1 3.92Å; R281-L283 HydrophobicContact CB-CG 3.94Å; R281-L283 PolarHBondContact O-N 3Å; L283-Y285 HydrophobicContact CB-CE2 4.16Å; L283-Y285 WeakPolarHBondContact CD1-OH 3.36Å; L283-V295 HydrophobicContact CB-CG2 4.26Å; L283-V295 HydrophobicContact CD1-CG2 4.39Å; L283-V295 HydrophobicContact CD2-CG2 4.28Å; L283-Y296 CarbonylContact C-O 3.49Å; L283-Y296 VanDerWaalsContact CA-O 3.26Å; L283-Y296 WeakPolarHBondContact CA-O 3.5Å; L283-E297 HydrophobicContact CD2-CB 4.24Å; L283-E297 HydrophobicContact CD2-CG 4.49Å; L283-F298 WeakPolarHBondContact O-CE1 3.4Å; L283-L309 HydrophobicContact CD2-CD1 3.66Å; L283-Y348 HydrophobicContact CD1-CD2 3.92Å; L283-Y348 HydrophobicContact CD1-CE2 4.26Å |
| 284 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.9 | 170.4 | 177.9 | 76 | 0 | 0 | 0 | 108.6 | F210 L218 L275 V277 V295 Y296 F298 F306 | F210-L284 HydrophobicContact CB-CD2 4.18Å; F210-L284 HydrophobicContact CD1-CD2 4.16Å; F210-L284 HydrophobicContact CD2-CD1 4.24Å; F210-L284 HydrophobicContact CD2-CD2 4.05Å; F210-L284 HydrophobicContact CE2-CD2 4.47Å; F210-L284 HydrophobicContact CG-CD2 3.87Å; L218-L284 HydrophobicContact CD1-CD2 4.12Å; L218-L284 HydrophobicContact CD2-CD2 3.82Å; L275-L284 HydrophobicContact CB-CD1 4.44Å; V277-L284 HydrophobicContact CG2-CD1 3.64Å; L284-V295 CarbonylContact O-C 3.53Å; L284-V295 WeakPolarHBondContact O-CA 3.12Å; L284-Y296 HydrophobicContact CD2-CD2 4.47Å; L284-Y296 PolarHBondContact N-O 3.47Å; L284-Y296 PolarHBondContact O-N 3.47Å; L284-F298 HydrophobicContact CB-CD1 4.31Å; L284-F306 HydrophobicContact CD2-CE2 3.98Å; L284-F306 HydrophobicContact CD2-CZ 3.91Å |
| 285 | Y | 95.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.6 | 174 | -58.2 | -82.2 | 0 | 0 | 0 | 109.8 | L275 A276 D278 L283 V294 V295 P341 L349 L365 | L275-Y285 WeakPolarHBondContact CA-O 3.16Å; A276-Y285 PolarHBondContact N-O 3.46Å; A276-Y285 PolarHBondContact O-N 3.49Å; D278-Y285 HydrophobicContact CB-CE2 3.9Å; L283-Y285 HydrophobicContact CB-CE2 4.16Å; L283-Y285 WeakPolarHBondContact CD1-OH 3.36Å; Y285-V294 WeakPolarHBondContact CA-O 3.38Å; Y285-V295 HydrophobicContact CD1-CB 3.77Å; Y285-V295 HydrophobicContact CD1-CG2 3.76Å; Y285-V295 HydrophobicContact CE1-CB 3.82Å; Y285-V295 HydrophobicContact CE1-CG2 3.44Å; Y285-V295 VanDerWaalsContact CE1-CG2 3.44Å; Y285-P341 HydrophobicContact CD2-CB 4.36Å; Y285-P341 HydrophobicContact CE2-CB 4.16Å; Y285-L349 HydrophobicContact CD1-CD1 4Å; Y285-L349 HydrophobicContact CD1-CD2 3.85Å; Y285-L349 HydrophobicContact CD1-CG 4.38Å; Y285-L349 HydrophobicContact CD2-CD1 3.8Å; Y285-L349 HydrophobicContact CE1-CB 4.21Å; Y285-L349 HydrophobicContact CE1-CD1 4.27Å; Y285-L349 HydrophobicContact CE1-CD2 4.22Å; Y285-L349 HydrophobicContact CE1-CG 4.49Å; Y285-L349 HydrophobicContact CE2-CD1 4.09Å; Y285-L349 HydrophobicContact CG-CD1 3.75Å; Y285-L349 HydrophobicContact CG-CD2 4.31Å; Y285-L365 HydrophobicContact CD1-CD2 4.32Å; Y285-L365 HydrophobicContact CE1-CD2 4.39Å |
| 286 | S | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.8 | 168.9 | 72 | 0 | 0 | 0 | 0 | 111 | Q274 L293 V294 | Q274-S286 WeakPolarHBondContact O-CA 3.31Å; S286-L293 WeakPolarHBondContact O-CA 3.25Å; S286-V294 PolarHBondContact N-O 3.06Å; S286-V294 PolarHBondContact O-N 3.21Å; S286-V294 WeakPolarHBondContact OG-CB 3.26Å |
| 287 | R | 94.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 9% | 0.094 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.4 | 171.5 | -165.5 | -153 | 97.3 | 179.5 | 12.3 | 109.5 | I273 Q274 L293 I336 V337 I339 | I273-R287 PolarHBondContact N-O 3.3Å; Q274-R287 HydrophobicContact CB-CB 4.18Å; Q274-R287 PolarHBondContact N-O 2.7Å; Q274-R287 VanDerWaalsContact N-O 3.17Å; Q274-R287 PolarHBondContact O-N 2.84Å; R287-L293 HydrophobicContact CB-CD2 4.08Å; R287-L293 HydrophobicContact CG-CD2 3.76Å; R287-I336 PolarHBondContact NH1-O 3Å; R287-I336 PolarHBondContact NH2-O 2.97Å; R287-V337 VanDerWaalsContact NH1-CA 3.3Å; R287-V337 PolarHBondContact NH1-O 3.32Å; R287-I339 HydrophobicContact CB-CD1 3.95Å; R287-I339 HydrophobicContact CB-CG1 4.15Å; R287-I339 HydrophobicContact CB-CG2 4.3Å; R287-I339 HydrophobicContact CG-CG2 4.33Å |
| 288 | T | 93.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 179.2 | 174.4 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | D270 S271 I272 S291 H292 | D270-T288 HydrophobicContact CB-CG2 4.37Å; D270-T288 VanDerWaalsContact CG-OG1 3.26Å; D270-T288 WeakPolarHBondContact OD1-CB 3.37Å; D270-T288 WeakPolarHBondContact OD2-CB 3.45Å; D270-T288 PolarHBondContact OD2-OG1 3.01Å; S271-T288 CarbonylContact O-C 3.52Å; S271-T288 WeakPolarHBondContact O-CA 3.37Å; S271-T288 WeakPolarHBondContact O-CB 3.43Å; I272-T288 HydrophobicContact CG1-CG2 4.27Å; T288-S291 PolarHBondContact O-N 3.45Å; T288-S291 PolarHBondContact OG1-N 3.29Å; T288-H292 HydrophobicContact CG2-CB 4.08Å; T288-H292 PolarHBondContact N-O 3.45Å; T288-H292 WeakPolarHBondContact OG1-CA 3.28Å; T288-H292 WeakPolarHBondContact OG1-CB 2.97Å; T288-H292 PolarHBondContact OG1-N 2.87Å; T288-H292 PolarHBondContact OG1-O 2.79Å |
| 289 | E | 90.7 | Very high | 91.4 | Very high | 121 Ų | 121 | 34.6 Ų | 34.6 | 57% | 0.565 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -46.6 | 176 | -167.8 | 164.7 | -176 | 0 | 0 | 111.8 | D270 S271 I273 S291 | D270-E289 WeakPolarHBondContact OD1-CB 3.43Å; D270-E289 PolarHBondContact OD1-N 2.89Å; D270-E289 VanDerWaalsContact OD1-N 3.15Å; S271-E289 PolarHBondContact O-N 2.7Å; I273-E289 HydrophobicContact CD1-CB 3.51Å; I273-E289 HydrophobicContact CD1-CG 3.62Å; I273-E289 HydrophobicContact CG1-CB 4.08Å; E289-S291 PolarHBondContact O-N 2.82Å |
| 290 | D | 90.1 | Very high | 90.8 | Very high | 120 Ų | 120 | 36.1 Ų | 36.1 | 64% | 0.642 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 16.7 | 172.5 | -63.3 | -36.1 | 0 | 0 | 0 | 112.9 | D270 H292 A314 | D270-D290 PolarHBondContact OD1-N 2.92Å; D270-D290 VanDerWaalsContact OD2-CB 3.25Å; D270-D290 WeakPolarHBondContact OD2-CB 3.35Å; D270-D290 PolarHBondContact OD2-N 3.24Å; D290-H292 VanDerWaalsContact C-N 3.28Å; D290-H292 PolarHBondContact O-N 3.35Å; D290-A314 WeakPolarHBondContact O-CB 3.27Å |
| 291 | S | 92.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | 60.7 | 31.6 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | T288 E289 R334 I336 | T288-S291 PolarHBondContact O-N 3.45Å; T288-S291 PolarHBondContact OG1-N 3.29Å; E289-S291 PolarHBondContact O-N 2.82Å; S291-R334 WeakPolarHBondContact CB-O 3.36Å; S291-R334 PolarHBondContact OG-O 3.11Å; S291-I336 PolarHBondContact OG-N 3.26Å | ||
| 292 | H | 92.2 | Very high | 89.6 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 27% | 0.269 | 20% | 0.203 | S | C | . | . | trans | -74.2 | 127 | 166.8 | -172.5 | -87.2 | 0 | 0 | 0 | 109.4 | T288 D290 V294 | T288-H292 HydrophobicContact CG2-CB 4.08Å; T288-H292 PolarHBondContact N-O 3.45Å; T288-H292 WeakPolarHBondContact OG1-CA 3.28Å; T288-H292 WeakPolarHBondContact OG1-CB 2.97Å; T288-H292 PolarHBondContact OG1-N 2.87Å; T288-H292 PolarHBondContact OG1-O 2.79Å; D290-H292 VanDerWaalsContact C-N 3.28Å; D290-H292 PolarHBondContact O-N 3.35Å; H292-V294 WeakPolarHBondContact ND1-CG2 3.41Å | ||
| 293 | L | 95 | Very high | 88.6 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.1 | -178.6 | -62 | 179.5 | 0 | 0 | 0 | 110.1 | S286 R287 S311 L312 L317 I336 I339 F361 L365 | S286-L293 WeakPolarHBondContact O-CA 3.25Å; R287-L293 HydrophobicContact CB-CD2 4.08Å; R287-L293 HydrophobicContact CG-CD2 3.76Å; L293-S311 CarbonylContact O-C 3.51Å; L293-S311 VanDerWaalsContact O-CA 3.31Å; L293-S311 WeakPolarHBondContact O-CA 3.45Å; L293-L312 HydrophobicContact CB-CB 4.45Å; L293-L312 PolarHBondContact N-O 2.87Å; L293-L312 PolarHBondContact O-N 2.82Å; L293-L317 HydrophobicContact CD1-CD1 4.43Å; L293-I336 HydrophobicContact CD1-CD1 3.77Å; L293-I336 HydrophobicContact CD2-CD1 4.14Å; L293-I336 HydrophobicContact CG-CD1 4.03Å; L293-I339 HydrophobicContact CD2-CG2 3.73Å; L293-F361 HydrophobicContact CD1-CE2 4.08Å; L293-F361 HydrophobicContact CD1-CZ 3.87Å; L293-L365 HydrophobicContact CB-CD1 3.88Å; L293-L365 HydrophobicContact CB-CD2 4.4Å |
| 294 | V | 93.7 | Very high | 87.6 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.8 | 172.3 | -168.3 | 0 | 0 | 0 | 0 | 109.2 | Y285 S286 H292 Y296 R308 S310 | Y285-V294 WeakPolarHBondContact CA-O 3.38Å; S286-V294 PolarHBondContact N-O 3.06Å; S286-V294 PolarHBondContact O-N 3.21Å; S286-V294 WeakPolarHBondContact OG-CB 3.26Å; H292-V294 WeakPolarHBondContact ND1-CG2 3.41Å; V294-Y296 HydrophobicContact CB-CE2 3.75Å; V294-Y296 HydrophobicContact CG1-CD2 4.2Å; V294-Y296 HydrophobicContact CG1-CE1 4.09Å; V294-Y296 HydrophobicContact CG1-CE2 3.51Å; V294-Y296 VanDerWaalsContact CG1-CZ 3.45Å; V294-R308 HydrophobicContact CG1-CG 3.62Å; V294-S310 WeakPolarHBondContact CA-O 3.5Å; V294-S310 WeakPolarHBondContact CG1-O 3.42Å |
| 295 | V | 95 | Very high | 87 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.2 | 173 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | L283 L284 Y285 L309 S310 L365 | L283-V295 HydrophobicContact CB-CG2 4.26Å; L283-V295 HydrophobicContact CD1-CG2 4.39Å; L283-V295 HydrophobicContact CD2-CG2 4.28Å; L284-V295 CarbonylContact O-C 3.53Å; L284-V295 WeakPolarHBondContact O-CA 3.12Å; Y285-V295 HydrophobicContact CD1-CB 3.77Å; Y285-V295 HydrophobicContact CD1-CG2 3.76Å; Y285-V295 HydrophobicContact CE1-CB 3.82Å; Y285-V295 HydrophobicContact CE1-CG2 3.44Å; Y285-V295 VanDerWaalsContact CE1-CG2 3.44Å; V295-L309 HydrophobicContact CG1-CB 4.15Å; V295-L309 PolarHBondContact O-N 2.93Å; V295-S310 WeakPolarHBondContact CG1-OG 3.48Å; V295-S310 PolarHBondContact N-O 3.43Å; V295-S310 PolarHBondContact O-N 2.89Å; V295-L365 HydrophobicContact CB-CD1 4.38Å; V295-L365 HydrophobicContact CB-CG 4.24Å; V295-L365 HydrophobicContact CG1-CD1 3.99Å; V295-L365 HydrophobicContact CG1-CG 3.78Å |
| 296 | Y | 93.7 | Very high | 86.6 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150 | 179.5 | -52.7 | -98.7 | 0 | 0 | 0 | 109.6 | L218 L283 L284 V294 F306 S307 R308 | L218-Y296 HydrophobicContact CD2-CD1 4.1Å; L218-Y296 HydrophobicContact CD2-CD2 3.96Å; L218-Y296 HydrophobicContact CD2-CE1 3.83Å; L218-Y296 HydrophobicContact CD2-CE2 3.72Å; L218-Y296 HydrophobicContact CD2-CG 4.16Å; L283-Y296 CarbonylContact C-O 3.49Å; L283-Y296 VanDerWaalsContact CA-O 3.26Å; L283-Y296 WeakPolarHBondContact CA-O 3.5Å; L284-Y296 HydrophobicContact CD2-CD2 4.47Å; L284-Y296 PolarHBondContact N-O 3.47Å; L284-Y296 PolarHBondContact O-N 3.47Å; V294-Y296 HydrophobicContact CB-CE2 3.75Å; V294-Y296 HydrophobicContact CG1-CD2 4.2Å; V294-Y296 HydrophobicContact CG1-CE1 4.09Å; V294-Y296 HydrophobicContact CG1-CE2 3.51Å; V294-Y296 VanDerWaalsContact CG1-CZ 3.45Å; Y296-F306 HydrophobicContact CD1-CD1 4.5Å; Y296-F306 AromaticContact CD1-CE1 3.43Å; Y296-F306 HydrophobicContact CD1-CE1 3.43Å; Y296-F306 VanDerWaalsContact CD1-CE1 3.43Å; Y296-F306 AromaticContact CD1-CZ 3.59Å; Y296-F306 HydrophobicContact CD1-CZ 3.59Å; Y296-F306 HydrophobicContact CD2-CZ 4.27Å; Y296-F306 HydrophobicContact CE1-CE1 4.1Å; Y296-F306 HydrophobicContact CE1-CZ 4.43Å; Y296-F306 AromaticContact CG-CE1 3.87Å; Y296-F306 HydrophobicContact CG-CE1 3.87Å; Y296-F306 HydrophobicContact CG-CE2 4.45Å; Y296-F306 AromaticContact CG-CZ 3.49Å; Y296-F306 HydrophobicContact CG-CZ 3.49Å; Y296-F306 VanDerWaalsContact CG-CZ 3.49Å; Y296-S307 CarbonylContact C-O 3.51Å; Y296-S307 WeakPolarHBondContact CA-O 3.38Å; Y296-S307 WeakPolarHBondContact CB-O 3.41Å; Y296-R308 HydrophobicContact CD1-CB 3.74Å; Y296-R308 HydrophobicContact CD1-CG 4.08Å; Y296-R308 HydrophobicContact CE1-CB 3.83Å; Y296-R308 HydrophobicContact CE1-CG 3.91Å |
| 297 | E | 93.3 | Very high | 86.3 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.4 | 170.1 | -174.6 | 179.2 | -163.9 | 0 | 0 | 108.9 | L283 F306 S307 L309 | L283-E297 HydrophobicContact CD2-CB 4.24Å; L283-E297 HydrophobicContact CD2-CG 4.49Å; E297-F306 WeakPolarHBondContact O-CA 3.46Å; E297-S307 PolarHBondContact N-O 3.5Å; E297-S307 PolarHBondContact O-N 2.9Å; E297-L309 HydrophobicContact CB-CD1 3.95Å; E297-L309 HydrophobicContact CB-CD2 4.1Å; E297-L309 HydrophobicContact CB-CG 3.94Å |
| 298 | F | 90.5 | Very high | 86.1 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 152.8 | 175.7 | 73.1 | -94.6 | 0 | 0 | 0 | 111 | T204 F210 V277 H282 L283 L284 F306 | T204-F298 HydrophobicContact CG2-CD2 4.42Å; T204-F298 HydrophobicContact CG2-CE1 4.48Å; T204-F298 HydrophobicContact CG2-CE2 3.86Å; T204-F298 HydrophobicContact CG2-CZ 3.89Å; F210-F298 HydrophobicContact CZ-CB 4.32Å; V277-F298 HydrophobicContact CG1-CE1 3.98Å; V277-F298 HydrophobicContact CG1-CZ 3.92Å; H282-F298 VanDerWaalsContact C-CD1 3.41Å; H282-F298 HydrophobicContact CB-CD2 4.38Å; H282-F298 HydrophobicContact CB-CE1 4.35Å; H282-F298 HydrophobicContact CB-CE2 4.16Å; H282-F298 HydrophobicContact CB-CZ 4.15Å; H282-F298 WeakPolarHBondContact CB-O 3.37Å; H282-F298 VanDerWaalsContact O-CD1 3.22Å; H282-F298 WeakPolarHBondContact O-CD1 3.29Å; H282-F298 PolarHBondContact O-N 2.72Å; L283-F298 WeakPolarHBondContact O-CE1 3.4Å; L284-F298 HydrophobicContact CB-CD1 4.31Å; F298-F306 HydrophobicContact CB-CD2 3.73Å; F298-F306 HydrophobicContact CB-CE2 4.13Å |
| 299 | S | 85.7 | Confident | 86 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | trans | -93.5 | 147.8 | 172.6 | 175 | 0 | 0 | 0 | 0 | 111.9 | R208 K301 S305 | R208-S299 PolarHBondContact NH1-O 3.46Å; S299-K301 PolarHBondContact O-N 2.69Å; S299-K301 PolarHBondContact OG-N 3.49Å; S299-S305 PolarHBondContact N-O 2.81Å | ||
| 300 | D | 72 | Confident | 86.1 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -60 | -23.1 | 176 | -85.8 | -17.8 | 0 | 0 | 0 | 114.4 | N206 H282 | N206-D300 PolarHBondContact ND2-O 2.87Å; N206-D300 VanDerWaalsContact ND2-O 3.12Å; N206-D300 PolarHBondContact ND2-OD1 3.12Å; N206-D300 VanDerWaalsContact ND2-OD1 3.14Å; H282-D300 IonicContact CE1-OD1 2.6Å; H282-D300 PolarHBondContact CE1-OD1 2.99Å; H282-D300 IonicContact CE1-OD2 3.14Å; H282-D300 PolarHBondContact CE1-OD2 3.5Å; H282-D300 IonicContact ND1-OD1 3.08Å; H282-D300 PolarHBondContact ND1-OD1 2.88Å; H282-D300 IonicContact ND1-OD2 2.91Å; H282-D300 IonicContact NE2-OD2 2.7Å |
| 301 | K | 73.5 | Confident | 86.1 | Confident | 151 Ų | 151 | 54.7 Ų | 54.7 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -76.2 | 138.2 | 176.9 | -64.1 | -176.9 | -178.8 | -180 | 0 | 109.6 | S299 S303 G304 | S299-K301 PolarHBondContact O-N 2.69Å; S299-K301 PolarHBondContact OG-N 3.49Å; K301-S303 PolarHBondContact O-N 3.31Å; K301-G304 WeakPolarHBondContact O-CA 3.03Å; K301-G304 PolarHBondContact O-N 3.33Å |
| 302 | I | 68 | Low | 86.2 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 32% | 0.323 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -39.2 | 178.7 | -59.4 | 167.2 | 0 | 0 | 0 | 111.4 | S136 | S136-I302 VanDerWaalsContact CB-CD1 3.48Š|
| 303 | S | 68.8 | Low | 86.2 | Confident | 121 Ų | 121 | 53.5 Ų | 53.5 | 85% | 0.846 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 20.7 | 175.4 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | K301 | K301-S303 PolarHBondContact O-N 3.31Š|
| 304 | G | 72.9 | Confident | 86 | Confident | 21 Ų | 21 | 54 Ų | 54 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | trans | -80.7 | 167.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K301 | K301-G304 WeakPolarHBondContact O-CA 3.03Å; K301-G304 PolarHBondContact O-N 3.33Å | ||
| 305 | S | 81.8 | Confident | 85.8 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 62% | 0.622 | 32% | 0.318 | S | S | * | . | trans | -59.6 | 144.9 | 179.6 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | S299 | S299-S305 PolarHBondContact N-O 2.81Š| ||
| 306 | F | 87.7 | Confident | 85.7 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.3 | 170.7 | -172.8 | -92.7 | 0 | 0 | 0 | 107.9 | F210 L218 H249 L284 Y296 E297 F298 | F210-F306 HydrophobicContact CD1-CE2 4.25Å; F210-F306 AromaticContact CE1-CD2 3.7Å; F210-F306 HydrophobicContact CE1-CD2 3.7Å; F210-F306 AromaticContact CE1-CE2 3.54Å; F210-F306 HydrophobicContact CE1-CE2 3.54Å; F210-F306 HydrophobicContact CE1-CZ 4.31Å; F210-F306 AromaticContact CZ-CD2 3.91Å; F210-F306 HydrophobicContact CZ-CD2 3.91Å; F210-F306 AromaticContact CZ-CE2 3.8Å; F210-F306 HydrophobicContact CZ-CE2 3.8Å; L218-F306 HydrophobicContact CD2-CE1 3.69Å; L218-F306 HydrophobicContact CD2-CZ 3.42Å; L218-F306 VanDerWaalsContact CD2-CZ 3.42Å; H249-F306 HydrophobicContact CB-CD1 3.73Å; H249-F306 HydrophobicContact CB-CE1 3.73Å; H249-F306 AromaticContact CD2-CD1 3.69Å; H249-F306 AromaticContact CE1-CD1 3.82Å; H249-F306 AromaticContact CE1-CG 3.98Å; H249-F306 AromaticContact CG-CD1 3.37Å; H249-F306 AromaticContact CG-CE1 3.81Å; H249-F306 AromaticContact ND1-CD1 3.48Å; H249-F306 WeakPolarHBondContact ND1-CD1 3.48Å; H249-F306 AromaticContact NE2-CD1 3.93Å; L284-F306 HydrophobicContact CD2-CE2 3.98Å; L284-F306 HydrophobicContact CD2-CZ 3.91Å; Y296-F306 HydrophobicContact CD1-CD1 4.5Å; Y296-F306 AromaticContact CD1-CE1 3.43Å; Y296-F306 HydrophobicContact CD1-CE1 3.43Å; Y296-F306 VanDerWaalsContact CD1-CE1 3.43Å; Y296-F306 AromaticContact CD1-CZ 3.59Å; Y296-F306 HydrophobicContact CD1-CZ 3.59Å; Y296-F306 HydrophobicContact CD2-CZ 4.27Å; Y296-F306 HydrophobicContact CE1-CE1 4.1Å; Y296-F306 HydrophobicContact CE1-CZ 4.43Å; Y296-F306 AromaticContact CG-CE1 3.87Å; Y296-F306 HydrophobicContact CG-CE1 3.87Å; Y296-F306 HydrophobicContact CG-CE2 4.45Å; Y296-F306 AromaticContact CG-CZ 3.49Å; Y296-F306 HydrophobicContact CG-CZ 3.49Å; Y296-F306 VanDerWaalsContact CG-CZ 3.49Å; E297-F306 WeakPolarHBondContact O-CA 3.46Å; F298-F306 HydrophobicContact CB-CD2 3.73Å; F298-F306 HydrophobicContact CB-CE2 4.13Å |
| 307 | S | 88.4 | Confident | 85.7 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 146.6 | -176.8 | 77.6 | 0 | 0 | 0 | 0 | 112.5 | Y296 E297 | Y296-S307 CarbonylContact C-O 3.51Å; Y296-S307 WeakPolarHBondContact CA-O 3.38Å; Y296-S307 WeakPolarHBondContact CB-O 3.41Å; E297-S307 PolarHBondContact N-O 3.5Å; E297-S307 PolarHBondContact O-N 2.9Å |
| 308 | R | 89.4 | Confident | 85.6 | Confident | 157 Ų | 157 | 54.8 Ų | 54.8 | 59% | 0.592 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.8 | 176.2 | -175.5 | 178.6 | 66.8 | -176.5 | 0.4 | 110 | V294 Y296 | V294-R308 HydrophobicContact CG1-CG 3.62Å; Y296-R308 HydrophobicContact CD1-CB 3.74Å; Y296-R308 HydrophobicContact CD1-CG 4.08Å; Y296-R308 HydrophobicContact CE1-CB 3.83Å; Y296-R308 HydrophobicContact CE1-CG 3.91Å |
| 309 | L | 91 | Very high | 85.7 | Confident | 71 Ų | 71 | 61 Ų | 61 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -50.9 | -179.3 | -65.9 | 179.8 | 0 | 0 | 0 | 112.7 | L283 V295 E297 | L283-L309 HydrophobicContact CD2-CD1 3.66Å; V295-L309 HydrophobicContact CG1-CB 4.15Å; V295-L309 PolarHBondContact O-N 2.93Å; E297-L309 HydrophobicContact CB-CD1 3.95Å; E297-L309 HydrophobicContact CB-CD2 4.1Å; E297-L309 HydrophobicContact CB-CG 3.94Å |
| 310 | S | 92.9 | Very high | 86 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 160.5 | -178.3 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | V294 V295 N364 | V294-S310 WeakPolarHBondContact CA-O 3.5Å; V294-S310 WeakPolarHBondContact CG1-O 3.42Å; V295-S310 WeakPolarHBondContact CG1-OG 3.48Å; V295-S310 PolarHBondContact N-O 3.43Å; V295-S310 PolarHBondContact O-N 2.89Å; S310-N364 VanDerWaalsContact OG-CA 3.28Å; S310-N364 WeakPolarHBondContact OG-CA 3.38Å; S310-N364 PolarHBondContact OG-O 2.98Å |
| 311 | S | 91.3 | Very high | 86.9 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 47% | 0.469 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.8 | 177.1 | 61.5 | 0 | 0 | 0 | 0 | 111.1 | L293 | L293-S311 CarbonylContact O-C 3.51Å; L293-S311 VanDerWaalsContact O-CA 3.31Å; L293-S311 WeakPolarHBondContact O-CA 3.45Å |
| 312 | L | 93.7 | Very high | 87.6 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 117.9 | -179.7 | -177.2 | 63.2 | 0 | 0 | 0 | 110.3 | L293 D316 L317 F361 L365 | L293-L312 HydrophobicContact CB-CB 4.45Å; L293-L312 PolarHBondContact N-O 2.87Å; L293-L312 PolarHBondContact O-N 2.82Å; L312-D316 HydrophobicContact CD1-CB 3.95Å; L312-L317 HydrophobicContact CD2-CB 4.12Å; L312-L317 HydrophobicContact CD2-CD1 3.81Å; L312-L317 HydrophobicContact CD2-CG 4.47Å; L312-L317 HydrophobicContact CG-CB 4.14Å; L312-F361 HydrophobicContact CD2-CD1 4.46Å; L312-F361 HydrophobicContact CD2-CE1 3.67Å; L312-F361 HydrophobicContact CD2-CZ 4.41Å; L312-L365 HydrophobicContact CB-CB 4.39Å; L312-L365 HydrophobicContact CB-CD1 4.2Å |
| 313 | S | 92 | Very high | 88.6 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | trans | -76.8 | 151.6 | 176.8 | 83 | 0 | 0 | 0 | 0 | 111.8 | S315 D316 L317 | S313-S315 PolarHBondContact O-N 3.44Å; S313-S315 PolarHBondContact OG-N 2.87Å; S313-S315 PolarHBondContact OG-OG 3.06Å; S313-D316 WeakPolarHBondContact CB-OD2 3.43Å; S313-D316 PolarHBondContact O-N 2.88Å; S313-D316 WeakPolarHBondContact OG-CB 3.31Å; S313-D316 PolarHBondContact OG-N 3.07Å; S313-D316 PolarHBondContact OG-OD2 3.15Å; S313-L317 WeakPolarHBondContact O-CB 3.21Å; S313-L317 PolarHBondContact O-N 3.17Å | ||
| 314 | A | 90.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.7 | -28.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D290 A318 | D290-A314 WeakPolarHBondContact O-CB 3.27Å; A314-A318 WeakPolarHBondContact O-CB 3.47Å; A314-A318 PolarHBondContact O-N 3.28Å |
| 315 | S | 90.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.4 | -40.4 | 177.6 | 74.4 | 0 | 0 | 0 | 0 | 112.9 | S313 Y319 | S313-S315 PolarHBondContact O-N 3.44Å; S313-S315 PolarHBondContact OG-N 2.87Å; S313-S315 PolarHBondContact OG-OG 3.06Å; S315-Y319 WeakPolarHBondContact O-CB 3.42Å; S315-Y319 PolarHBondContact O-N 2.56Å |
| 316 | D | 92.5 | Very high | 90.2 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.9 | -43.7 | 175.5 | -64.9 | -44.2 | 0 | 0 | 0 | 110.4 | L312 S313 Y319 Q320 | L312-D316 HydrophobicContact CD1-CB 3.95Å; S313-D316 WeakPolarHBondContact CB-OD2 3.43Å; S313-D316 PolarHBondContact O-N 2.88Å; S313-D316 WeakPolarHBondContact OG-CB 3.31Å; S313-D316 PolarHBondContact OG-N 3.07Å; S313-D316 PolarHBondContact OG-OD2 3.15Å; D316-Y319 PolarHBondContact O-N 3.34Å; D316-Q320 WeakPolarHBondContact O-CB 3.34Å; D316-Q320 VanDerWaalsContact O-CG 3.29Å; D316-Q320 WeakPolarHBondContact O-CG 3.43Å; D316-Q320 PolarHBondContact O-N 3.43Å |
| 317 | L | 93.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.8 | -50.8 | 174.5 | 177.4 | 135.9 | 0 | 0 | 0 | 111.3 | L293 L312 S313 Y319 Q320 A321 F333 I336 L359 F361 | L293-L317 HydrophobicContact CD1-CD1 4.43Å; L312-L317 HydrophobicContact CD2-CB 4.12Å; L312-L317 HydrophobicContact CD2-CD1 3.81Å; L312-L317 HydrophobicContact CD2-CG 4.47Å; L312-L317 HydrophobicContact CG-CB 4.14Å; S313-L317 WeakPolarHBondContact O-CB 3.21Å; S313-L317 PolarHBondContact O-N 3.17Å; L317-Y319 VanDerWaalsContact C-N 3.27Å; L317-Y319 PolarHBondContact O-N 3.42Å; L317-Q320 PolarHBondContact O-N 2.93Å; L317-A321 VanDerWaalsContact O-CB 3.26Å; L317-A321 WeakPolarHBondContact O-CB 3.3Å; L317-A321 PolarHBondContact O-N 3.1Å; L317-F333 HydrophobicContact CD2-CB 4.16Å; L317-F333 WeakPolarHBondContact CD2-O 3.36Å; L317-I336 HydrophobicContact CD1-CD1 4.23Å; L317-L359 HydrophobicContact CD1-CD1 4.08Å; L317-L359 HydrophobicContact CD2-CD1 3.92Å; L317-L359 HydrophobicContact CG-CD1 4.42Å; L317-F361 HydrophobicContact CD1-CE1 3.9Å; L317-F361 HydrophobicContact CD1-CZ 3.49Å; L317-F361 VanDerWaalsContact CD1-CZ 3.49Å |
| 318 | A | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A314 S322 K330 F333 R334 | A314-A318 WeakPolarHBondContact O-CB 3.47Å; A314-A318 PolarHBondContact O-N 3.28Å; A318-S322 WeakPolarHBondContact O-CB 3.31Å; A318-S322 PolarHBondContact O-N 3.32Å; A318-S322 PolarHBondContact O-OG 3.45Å; A318-S322 VanDerWaalsContact O-OG 3.08Å; A318-K330 HydrophobicContact CB-CG 3.82Å; A318-F333 HydrophobicContact CB-CB 4.17Å; A318-R334 HydrophobicContact CB-CG 3.75Å |
| 319 | Y | 92.1 | Very high | 89.4 | Confident | 137 Ų | 137 | 54 Ų | 54 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -53.4 | 174 | -178.7 | -103.5 | 0 | 0 | 0 | 111.5 | S315 D316 L317 A321 S322 C323 | S315-Y319 WeakPolarHBondContact O-CB 3.42Å; S315-Y319 PolarHBondContact O-N 2.56Å; D316-Y319 PolarHBondContact O-N 3.34Å; L317-Y319 VanDerWaalsContact C-N 3.27Å; L317-Y319 PolarHBondContact O-N 3.42Å; Y319-A321 VanDerWaalsContact C-N 3.32Å; Y319-A321 PolarHBondContact O-N 2.9Å; Y319-S322 PolarHBondContact O-N 3.37Å; Y319-S322 PolarHBondContact O-OG 3.33Å; Y319-C323 PolarHBondContact O-N 3.48Å; Y319-C323 PolarHBondContact O-SG 2.99Å |
| 320 | Q | 91.6 | Very high | 89.2 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 177.8 | -72.9 | -178.1 | 12.9 | 0 | 0 | 111.5 | D316 L317 C323 I324 | D316-Q320 WeakPolarHBondContact O-CB 3.34Å; D316-Q320 VanDerWaalsContact O-CG 3.29Å; D316-Q320 WeakPolarHBondContact O-CG 3.43Å; D316-Q320 PolarHBondContact O-N 3.43Å; L317-Q320 PolarHBondContact O-N 2.93Å; Q320-C323 PolarHBondContact O-N 3.2Å; Q320-I324 VanDerWaalsContact O-CD1 3.31Å; Q320-I324 WeakPolarHBondContact O-CD1 3.46Å; Q320-I324 WeakPolarHBondContact O-CG1 3.27Å; Q320-I324 PolarHBondContact O-N 3.46Å |
| 321 | A | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L317 Y319 C323 I324 V325 F333 I370 | L317-A321 VanDerWaalsContact O-CB 3.26Å; L317-A321 WeakPolarHBondContact O-CB 3.3Å; L317-A321 PolarHBondContact O-N 3.1Å; Y319-A321 VanDerWaalsContact C-N 3.32Å; Y319-A321 PolarHBondContact O-N 2.9Å; A321-C323 VanDerWaalsContact C-N 3.27Å; A321-C323 PolarHBondContact O-N 3.38Å; A321-I324 PolarHBondContact O-N 3.06Å; A321-V325 PolarHBondContact O-N 3.01Å; A321-F333 HydrophobicContact CB-CB 4.07Å; A321-F333 HydrophobicContact CB-CD1 3.6Å; A321-F333 HydrophobicContact CB-CD2 3.85Å; A321-F333 HydrophobicContact CB-CE1 3.93Å; A321-F333 HydrophobicContact CB-CE2 4.17Å; A321-F333 HydrophobicContact CB-CG 3.56Å; A321-F333 HydrophobicContact CB-CZ 4.21Å; A321-I370 HydrophobicContact CB-CD1 3.82Å |
| 322 | S | 89.5 | Confident | 88.7 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -27.3 | 178.2 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | A318 Y319 I324 | A318-S322 WeakPolarHBondContact O-CB 3.31Å; A318-S322 PolarHBondContact O-N 3.32Å; A318-S322 PolarHBondContact O-OG 3.45Å; A318-S322 VanDerWaalsContact O-OG 3.08Å; Y319-S322 PolarHBondContact O-N 3.37Å; Y319-S322 PolarHBondContact O-OG 3.33Å; S322-I324 VanDerWaalsContact C-N 3.29Å |
| 323 | C | 88.2 | Confident | 88.5 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 45% | 0.446 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.7 | -28.6 | 172.9 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | Y319 Q320 A321 | Y319-C323 PolarHBondContact O-N 3.48Å; Y319-C323 PolarHBondContact O-SG 2.99Å; Q320-C323 PolarHBondContact O-N 3.2Å; A321-C323 VanDerWaalsContact C-N 3.27Å; A321-C323 PolarHBondContact O-N 3.38Å |
| 324 | I | 87.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 60.4 Ų | 60.4 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -86.7 | -50.4 | -179.4 | -61.2 | 155.6 | 0 | 0 | 0 | 110.4 | V43 F45 Q320 A321 S322 L367 I370 | V43-I324 HydrophobicContact CB-CD1 3.87Å; V43-I324 HydrophobicContact CB-CG1 4.42Å; V43-I324 HydrophobicContact CG1-CD1 3.36Å; V43-I324 HydrophobicContact CG1-CG1 4.3Å; F45-I324 HydrophobicContact CB-CG2 4.36Å; F45-I324 HydrophobicContact CD1-CG2 3.99Å; Q320-I324 VanDerWaalsContact O-CD1 3.31Å; Q320-I324 WeakPolarHBondContact O-CD1 3.46Å; Q320-I324 WeakPolarHBondContact O-CG1 3.27Å; Q320-I324 PolarHBondContact O-N 3.46Å; A321-I324 PolarHBondContact O-N 3.06Å; S322-I324 VanDerWaalsContact C-N 3.29Å; I324-L367 HydrophobicContact CD1-CD2 3.89Å; I324-I370 HydrophobicContact CB-CD1 4.16Å; I324-I370 HydrophobicContact CD1-CD1 4.07Å; I324-I370 HydrophobicContact CG2-CD1 4.21Å |
| 325 | V | 86.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -109.1 | 94 | -178.3 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | F45 A321 S327 V328 F333 I370 L372 | F45-V325 HydrophobicContact CB-CG2 3.53Å; F45-V325 HydrophobicContact CD1-CG2 3.97Å; F45-V325 HydrophobicContact CD2-CG2 4.1Å; F45-V325 HydrophobicContact CG-CG2 3.61Å; A321-V325 PolarHBondContact O-N 3.01Å; V325-S327 VanDerWaalsContact C-N 3.31Å; V325-S327 WeakPolarHBondContact CG1-OG 3.25Å; V325-S327 PolarHBondContact O-N 3.02Å; V325-V328 HydrophobicContact CG1-CB 3.94Å; V325-V328 HydrophobicContact CG1-CG2 3.65Å; V325-F333 HydrophobicContact CB-CZ 4.03Å; V325-F333 HydrophobicContact CG1-CZ 4.43Å; V325-I370 HydrophobicContact CG2-CB 4.36Å; V325-I370 HydrophobicContact CG2-CD1 3.98Å; V325-I370 HydrophobicContact CG2-CG2 4.15Å; V325-L372 HydrophobicContact CG1-CD1 4.07Å; V325-L372 HydrophobicContact CG1-CD2 4.39Å | ||
| 326 | R | 83.3 | Confident | 88.4 | Confident | 227 Ų | 227 | 61.6 Ų | 61.6 | 86% | 0.857 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.3 | -178.9 | -63.4 | -174.8 | -178.4 | 174.7 | -1.4 | 114.3 | V328 | R326-V328 VanDerWaalsContact C-N 3.31Š|
| 327 | S | 81.2 | Confident | 88.4 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -9.6 | -177.9 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | V325 | V325-S327 VanDerWaalsContact C-N 3.31Å; V325-S327 WeakPolarHBondContact CG1-OG 3.25Å; V325-S327 PolarHBondContact O-N 3.02Å |
| 328 | V | 82.9 | Confident | 88.4 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -116.8 | 137.4 | -174.9 | 175.9 | 0 | 0 | 0 | 0 | 109 | V325 R326 Q332 F333 I357 L372 | V325-V328 HydrophobicContact CG1-CB 3.94Å; V325-V328 HydrophobicContact CG1-CG2 3.65Å; R326-V328 VanDerWaalsContact C-N 3.31Å; V328-Q332 HydrophobicContact CG1-CB 3.79Å; V328-Q332 HydrophobicContact CG1-CG 4.1Å; V328-Q332 VanDerWaalsContact CG1-OE1 3.23Å; V328-F333 HydrophobicContact CB-CE2 4.01Å; V328-F333 HydrophobicContact CB-CZ 3.88Å; V328-F333 HydrophobicContact CG1-CE2 3.75Å; V328-F333 HydrophobicContact CG1-CZ 3.73Å; V328-I357 HydrophobicContact CG1-CD1 4.08Å; V328-L372 HydrophobicContact CG2-CD1 4.06Å; V328-L372 HydrophobicContact CG2-CD2 3.94Å |
| 329 | D | 84.7 | Confident | 88.6 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | trans | -62.5 | 139.4 | 177.7 | -178.6 | 28.3 | 0 | 0 | 0 | 111 | N331 Q332 | D329-N331 PolarHBondContact O-N 3.22Å; D329-N331 VanDerWaalsContact O-N 3.09Å; D329-N331 WeakPolarHBondContact OD2-CB 3.3Å; D329-N331 PolarHBondContact OD2-ND2 3.47Å; D329-Q332 HydrophobicContact CB-CG 4.38Å; D329-Q332 WeakPolarHBondContact O-CB 3.5Å; D329-Q332 PolarHBondContact O-N 3.2Å | ||
| 330 | K | 86.6 | Confident | 88.7 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -53.9 | -34.3 | -179.2 | -179 | 176.8 | 179 | -177.7 | 0 | 111.7 | A318 Q332 F333 | A318-K330 HydrophobicContact CB-CG 3.82Å; K330-Q332 VanDerWaalsContact C-N 3.25Å; K330-Q332 PolarHBondContact O-N 3.31Å; K330-F333 PolarHBondContact O-N 3.29Å |
| 331 | N | 86.4 | Confident | 88.7 | Confident | 98 Ų | 98 | 51.9 Ų | 51.9 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -66.8 | -24.4 | -178.2 | -60.5 | -43.8 | 0 | 0 | 0 | 113.4 | D329 F333 R334 | D329-N331 PolarHBondContact O-N 3.22Å; D329-N331 VanDerWaalsContact O-N 3.09Å; D329-N331 WeakPolarHBondContact OD2-CB 3.3Å; D329-N331 PolarHBondContact OD2-ND2 3.47Å; N331-F333 PolarHBondContact O-N 3.37Å; N331-R334 PolarHBondContact O-N 3.02Å |
| 332 | Q | 86.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 52.6 Ų | 52.6 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -69 | -18.9 | 180 | -61.3 | -168.2 | 9 | 0 | 0 | 113.1 | V328 D329 K330 T355 I357 | V328-Q332 HydrophobicContact CG1-CB 3.79Å; V328-Q332 HydrophobicContact CG1-CG 4.1Å; V328-Q332 VanDerWaalsContact CG1-OE1 3.23Å; D329-Q332 HydrophobicContact CB-CG 4.38Å; D329-Q332 WeakPolarHBondContact O-CB 3.5Å; D329-Q332 PolarHBondContact O-N 3.2Å; K330-Q332 VanDerWaalsContact C-N 3.25Å; K330-Q332 PolarHBondContact O-N 3.31Å; Q332-T355 HydrophobicContact CB-CG2 4.02Å; Q332-T355 HydrophobicContact CG-CG2 4.07Å; Q332-I357 HydrophobicContact CB-CD1 4.07Å |
| 333 | F | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -90.1 | -15.1 | 178.7 | -59.6 | -72.3 | 0 | 0 | 0 | 113.9 | L317 A318 A321 V325 V328 K330 N331 I357 L359 I370 | L317-F333 HydrophobicContact CD2-CB 4.16Å; L317-F333 WeakPolarHBondContact CD2-O 3.36Å; A318-F333 HydrophobicContact CB-CB 4.17Å; A321-F333 HydrophobicContact CB-CB 4.07Å; A321-F333 HydrophobicContact CB-CD1 3.6Å; A321-F333 HydrophobicContact CB-CD2 3.85Å; A321-F333 HydrophobicContact CB-CE1 3.93Å; A321-F333 HydrophobicContact CB-CE2 4.17Å; A321-F333 HydrophobicContact CB-CG 3.56Å; A321-F333 HydrophobicContact CB-CZ 4.21Å; V325-F333 HydrophobicContact CB-CZ 4.03Å; V325-F333 HydrophobicContact CG1-CZ 4.43Å; V328-F333 HydrophobicContact CB-CE2 4.01Å; V328-F333 HydrophobicContact CB-CZ 3.88Å; V328-F333 HydrophobicContact CG1-CE2 3.75Å; V328-F333 HydrophobicContact CG1-CZ 3.73Å; K330-F333 PolarHBondContact O-N 3.29Å; N331-F333 PolarHBondContact O-N 3.37Å; F333-I357 HydrophobicContact CD1-CD1 4.03Å; F333-I357 HydrophobicContact CD1-CG2 4.35Å; F333-I357 HydrophobicContact CE1-CD1 3.76Å; F333-I357 HydrophobicContact CE1-CG2 4.06Å; F333-I357 HydrophobicContact CZ-CD1 4.32Å; F333-L359 HydrophobicContact CD1-CD2 4.33Å; F333-I370 HydrophobicContact CE1-CG2 4.05Å |
| 334 | R | 88 | Confident | 86.7 | Confident | 110 Ų | 110 | 54.3 Ų | 54.3 | 42% | 0.415 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -45.7 | -172 | -89.1 | -172.2 | 166.8 | -159.8 | -3.5 | 113.4 | S291 A318 N331 I336 | S291-R334 WeakPolarHBondContact CB-O 3.36Å; S291-R334 PolarHBondContact OG-O 3.11Å; A318-R334 HydrophobicContact CB-CG 3.75Å; N331-R334 PolarHBondContact O-N 3.02Å; R334-I336 PolarHBondContact O-N 2.99Å |
| 335 | N | 89.8 | Confident | 86 | Confident | 85 Ų | 85 | 53 Ų | 53 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | trans | -92.3 | 100.4 | -167.2 | -66 | 2.5 | 0 | 0 | 0 | 110 | T353 K354 | N335-T353 CarbonylContact O-C 3.53Å; N335-T353 WeakPolarHBondContact O-CA 3.17Å; N335-T353 WeakPolarHBondContact O-CB 3.32Å; N335-K354 HydrophobicContact CB-CB 3.93Å; N335-K354 HydrophobicContact CB-CD 4.41Å; N335-K354 PolarHBondContact O-N 2.88Å | ||
| 336 | I | 94 | Very high | 85.8 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.8 | 173.4 | -59.9 | 175.5 | 0 | 0 | 0 | 108.4 | R287 S291 L293 L317 R334 I339 A351 I352 | R287-I336 PolarHBondContact NH1-O 3Å; R287-I336 PolarHBondContact NH2-O 2.97Å; S291-I336 PolarHBondContact OG-N 3.26Å; L293-I336 HydrophobicContact CD1-CD1 3.77Å; L293-I336 HydrophobicContact CD2-CD1 4.14Å; L293-I336 HydrophobicContact CG-CD1 4.03Å; L317-I336 HydrophobicContact CD1-CD1 4.23Å; R334-I336 PolarHBondContact O-N 2.99Å; I336-I339 HydrophobicContact CG2-CG2 4.06Å; I336-A351 HydrophobicContact CD1-CB 4.09Å; I336-A351 HydrophobicContact CG2-CB 3.87Å; I336-I352 CarbonylContact C-O 3.55Å |
| 337 | V | 92 | Very high | 85.9 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -34 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | R287 I352 K354 V386 K387 | R287-V337 VanDerWaalsContact NH1-CA 3.3Å; R287-V337 PolarHBondContact NH1-O 3.32Å; V337-I352 PolarHBondContact N-O 3.2Å; V337-K354 HydrophobicContact CG2-CB 4.01Å; V337-K354 HydrophobicContact CG2-CG 4.47Å; V337-V386 HydrophobicContact CG1-CG1 4.43Å; V337-V386 VanDerWaalsContact CG2-O 3.28Å; V337-V386 WeakPolarHBondContact CG2-O 3.31Å; V337-K387 VanDerWaalsContact CG1-O 3.22Å; V337-K387 WeakPolarHBondContact CG1-O 3.48Å |
| 338 | S | 93.4 | Very high | 86.4 | Confident | 13 Ų | 13 | 43 Ų | 43 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 143.7 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | A351 I352 | S338-A351 WeakPolarHBondContact O-CA 3.46Å; S338-I352 PolarHBondContact N-O 3Å; S338-I352 PolarHBondContact O-N 2.91Å |
| 339 | I | 95.7 | Very high | 86.9 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.8 | 167.2 | 55.4 | 160.1 | 0 | 0 | 0 | 109.9 | Q274 A276 R287 L293 I336 L349 L350 A351 | Q274-I339 VanDerWaalsContact CD-CG1 3.5Å; Q274-I339 HydrophobicContact CG-CG1 4.05Å; Q274-I339 PolarHBondContact NE2-O 3.14Å; Q274-I339 VanDerWaalsContact NE2-O 3.15Å; Q274-I339 VanDerWaalsContact OE1-N 3.09Å; A276-I339 HydrophobicContact CB-CD1 4.08Å; A276-I339 HydrophobicContact CB-CG1 4.37Å; R287-I339 HydrophobicContact CB-CD1 3.95Å; R287-I339 HydrophobicContact CB-CG1 4.15Å; R287-I339 HydrophobicContact CB-CG2 4.3Å; R287-I339 HydrophobicContact CG-CG2 4.33Å; L293-I339 HydrophobicContact CD2-CG2 3.73Å; I336-I339 HydrophobicContact CG2-CG2 4.06Å; I339-L349 HydrophobicContact CB-CD1 4.2Å; I339-L349 HydrophobicContact CG2-CD2 4.42Å; I339-L350 CarbonylContact C-O 3.58Å; I339-L350 WeakPolarHBondContact CA-O 3.46Å; I339-A351 HydrophobicContact CG2-CB 4.17Å |
| 340 | I | 93.6 | Very high | 87.3 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 117.4 | -176.6 | -54 | 173.6 | 0 | 0 | 0 | 108.8 | L350 I352 E391 | I340-L350 HydrophobicContact CB-CB 4.45Å; I340-L350 PolarHBondContact N-O 3.31Å; I340-L350 PolarHBondContact O-N 3.23Å; I340-I352 HydrophobicContact CD1-CD1 4.15Å; I340-E391 HydrophobicContact CD1-CB 3.79Å; I340-E391 HydrophobicContact CG2-CB 4.23Å |
| 341 | P | 91.9 | Very high | 87.7 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.4 | 176.1 | 27.4 | -30.4 | 0 | 0 | 0 | 110.3 | A276 D278 Y285 | A276-P341 HydrophobicContact CB-CG 4.33Å; D278-P341 HydrophobicContact CB-CB 3.89Å; Y285-P341 HydrophobicContact CD2-CB 4.36Å; Y285-P341 HydrophobicContact CE2-CB 4.16Å |
| 342 | L | 86.6 | Confident | 88.1 | Confident | 15 Ų | 15 | 30 Ų | 30 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | trans | -104 | 114.3 | 179.9 | -65.9 | 175.5 | 0 | 0 | 0 | 109.5 | R281 T344 C347 Y348 L350 Y360 | R281-L342 PolarHBondContact NH1-O 2.88Å; R281-L342 PolarHBondContact NH2-O 3.41Å; R281-L342 VanDerWaalsContact NH2-O 3.09Å; L342-T344 PolarHBondContact O-N 3.31Å; L342-C347 HydrophobicContact CD1-CB 3.77Å; L342-Y348 PolarHBondContact N-O 2.83Å; L342-L350 HydrophobicContact CD1-CB 4.05Å; L342-L350 HydrophobicContact CD2-CB 4.38Å; L342-L350 HydrophobicContact CG-CB 4.16Å; L342-Y360 HydrophobicContact CD1-CD1 3.96Å; L342-Y360 HydrophobicContact CD1-CE1 4.16Å | ||
| 343 | T | 72.3 | Confident | 88.4 | Confident | 71 Ų | 71 | 27.5 Ų | 27.5 | 44% | 0.436 | 15% | 0.148 | S | C | . | . | trans | -69.4 | -7.1 | -171.4 | 54.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 344 | T | 68.2 | Low | 88.4 | Confident | 58 Ų | 58 | 31.3 Ų | 31.3 | 36% | 0.356 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -140.5 | 153.9 | -171.9 | 63.9 | 0 | 0 | 0 | 0 | 115.6 | L342 G556 E557 | L342-T344 PolarHBondContact O-N 3.31Å; T344-G556 WeakPolarHBondContact OG1-CA 3.33Å; T344-E557 HydrophobicContact CG2-CG 4.45Å |
| 345 | G | 72.9 | Confident | 88.4 | Confident | 15 Ų | 15 | 27.4 Ų | 27.4 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 80.3 | -163.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R281 C347 | R281-G345 PolarHBondContact NH2-O 3.46Å; G345-C347 VanDerWaalsContact C-N 3.34Å |
| 346 | L | 81.2 | Confident | 88.3 | Confident | 71 Ų | 71 | 23.3 Ų | 23.3 | 37% | 0.372 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -82.2 | -12.6 | 175.3 | -55.6 | 170.3 | 0 | 0 | 0 | 112.9 | T33 Y348 G362 L368 | T33-L346 HydrophobicContact CG2-CB 3.45Å; T33-L346 VanDerWaalsContact CG2-CB 3.45Å; T33-L346 HydrophobicContact CG2-CD1 3.71Å; T33-L346 HydrophobicContact CG2-CG 3.66Å; T33-L346 PolarHBondContact OG1-N 2.97Å; L346-Y348 WeakPolarHBondContact O-CD1 3.47Å; L346-G362 WeakPolarHBondContact O-CA 3.44Å; L346-L368 HydrophobicContact CB-CD1 4.5Å; L346-L368 WeakPolarHBondContact O-CD1 3.3Å |
| 347 | C | 86.4 | Confident | 88.2 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | trans | -84.3 | 120.8 | 173.2 | -62.4 | 0 | 0 | 0 | 0 | 109.1 | L38 R281 L342 G345 Y360 F361 | L38-C347 WeakPolarHBondContact CD1-SG 3.38Å; R281-C347 PolarHBondContact NH2-O 2.65Å; L342-C347 HydrophobicContact CD1-CB 3.77Å; G345-C347 VanDerWaalsContact C-N 3.34Å; C347-Y360 HydrophobicContact CB-CD1 4.39Å; C347-F361 CarbonylContact C-O 3.59Å; C347-F361 WeakPolarHBondContact CA-O 3.34Å | ||
| 348 | Y | 90.9 | Very high | 88.2 | Confident | 39 Ų | 39 | 21.7 Ų | 21.7 | 15% | 0.153 | 12% | 0.121 | C | C | . | . | trans | -102.1 | -35.5 | -175.9 | -76.5 | 30.8 | 0 | 0 | 0 | 110.9 | R281 L283 L342 L346 F361 E363 | R281-Y348 VanDerWaalsContact CD-CE2 3.46Å; L283-Y348 HydrophobicContact CD1-CD2 3.92Å; L283-Y348 HydrophobicContact CD1-CE2 4.26Å; L342-Y348 PolarHBondContact N-O 2.83Å; L346-Y348 WeakPolarHBondContact O-CD1 3.47Å; Y348-F361 PolarHBondContact N-O 2.96Å; Y348-E363 HydrophobicContact CE2-CB 4.1Å; Y348-E363 HydrophobicContact CE2-CG 4.29Å | ||
| 349 | L | 93.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136.4 | -176.7 | -169.5 | 73.2 | 0 | 0 | 0 | 110.8 | Y285 I339 F361 L365 | Y285-L349 HydrophobicContact CD1-CD1 4Å; Y285-L349 HydrophobicContact CD1-CD2 3.85Å; Y285-L349 HydrophobicContact CD1-CG 4.38Å; Y285-L349 HydrophobicContact CD2-CD1 3.8Å; Y285-L349 HydrophobicContact CE1-CB 4.21Å; Y285-L349 HydrophobicContact CE1-CD1 4.27Å; Y285-L349 HydrophobicContact CE1-CD2 4.22Å; Y285-L349 HydrophobicContact CE1-CG 4.49Å; Y285-L349 HydrophobicContact CE2-CD1 4.09Å; Y285-L349 HydrophobicContact CG-CD1 3.75Å; Y285-L349 HydrophobicContact CG-CD2 4.31Å; I339-L349 HydrophobicContact CB-CD1 4.2Å; I339-L349 HydrophobicContact CG2-CD2 4.42Å; L349-F361 HydrophobicContact CB-CB 4.23Å; L349-F361 HydrophobicContact CB-CD2 4.23Å; L349-F361 HydrophobicContact CD2-CD2 4.2Å; L349-F361 HydrophobicContact CG-CD2 4.45Å; L349-F361 PolarHBondContact N-O 2.93Å; L349-F361 PolarHBondContact O-N 3.29Å; L349-L365 HydrophobicContact CD2-CD2 3.84Å |
| 350 | L | 94 | Very high | 88.1 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.9 | 165.6 | 171.1 | 61.7 | 0 | 0 | 0 | 108.8 | I339 I340 L342 I352 R358 L359 Y360 E391 V396 | I339-L350 CarbonylContact C-O 3.58Å; I339-L350 WeakPolarHBondContact CA-O 3.46Å; I340-L350 HydrophobicContact CB-CB 4.45Å; I340-L350 PolarHBondContact N-O 3.31Å; I340-L350 PolarHBondContact O-N 3.23Å; L342-L350 HydrophobicContact CD1-CB 4.05Å; L342-L350 HydrophobicContact CD2-CB 4.38Å; L342-L350 HydrophobicContact CG-CB 4.16Å; L350-I352 HydrophobicContact CD1-CG1 4.43Å; L350-I352 HydrophobicContact CD2-CD1 4.3Å; L350-I352 HydrophobicContact CD2-CG1 4.42Å; L350-I352 HydrophobicContact CG-CG1 4.17Å; L350-R358 HydrophobicContact CD1-CB 3.82Å; L350-R358 HydrophobicContact CD1-CG 4.16Å; L350-L359 WeakPolarHBondContact CA-O 3.38Å; L350-Y360 HydrophobicContact CD1-CD1 4.18Å; L350-Y360 HydrophobicContact CD1-CE1 3.85Å; L350-Y360 HydrophobicContact CD1-CE2 4.3Å; L350-E391 HydrophobicContact CD2-CG 4.44Å; L350-V396 HydrophobicContact CD2-CG2 4.25Å |
| 351 | A | 95.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I336 S338 I339 L359 F361 | I336-A351 HydrophobicContact CD1-CB 4.09Å; I336-A351 HydrophobicContact CG2-CB 3.87Å; S338-A351 WeakPolarHBondContact O-CA 3.46Å; I339-A351 HydrophobicContact CG2-CB 4.17Å; A351-L359 HydrophobicContact CB-CB 4.35Å; A351-L359 PolarHBondContact N-O 2.93Å; A351-L359 PolarHBondContact O-N 3.48Å; A351-F361 HydrophobicContact CB-CE2 3.67Å |
| 352 | I | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.2 | -178.5 | -58.2 | 176.9 | 0 | 0 | 0 | 108.2 | I336 V337 S338 I340 L350 R358 A389 V396 M398 | I336-I352 CarbonylContact C-O 3.55Å; V337-I352 PolarHBondContact N-O 3.2Å; S338-I352 PolarHBondContact N-O 3Å; S338-I352 PolarHBondContact O-N 2.91Å; I340-I352 HydrophobicContact CD1-CD1 4.15Å; L350-I352 HydrophobicContact CD1-CG1 4.43Å; L350-I352 HydrophobicContact CD2-CD1 4.3Å; L350-I352 HydrophobicContact CD2-CG1 4.42Å; L350-I352 HydrophobicContact CG-CG1 4.17Å; I352-R358 HydrophobicContact CG1-CG 4.18Å; I352-A389 HydrophobicContact CB-CB 4.43Å; I352-A389 HydrophobicContact CD1-CB 3.47Å; I352-A389 VanDerWaalsContact CD1-CB 3.47Å; I352-A389 HydrophobicContact CG2-CB 4.3Å; I352-V396 HydrophobicContact CD1-CG1 3.73Å; I352-M398 HydrophobicContact CG2-SD 3.88Å |
| 353 | T | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 165.7 | 178.7 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | N335 T355 G356 I357 L359 | N335-T353 CarbonylContact O-C 3.53Å; N335-T353 WeakPolarHBondContact O-CA 3.17Å; N335-T353 WeakPolarHBondContact O-CB 3.32Å; T353-T355 PolarHBondContact O-N 3.22Å; T353-T355 VanDerWaalsContact O-N 3.09Å; T353-T355 PolarHBondContact OG1-OG1 2.57Å; T353-G356 PolarHBondContact O-N 3.4Å; T353-I357 HydrophobicContact CG2-CB 4.2Å; T353-I357 PolarHBondContact N-O 3.37Å; T353-I357 WeakPolarHBondContact OG1-CA 3.42Å; T353-I357 VanDerWaalsContact OG1-CB 3.24Å; T353-I357 WeakPolarHBondContact OG1-CB 3.5Å; T353-I357 PolarHBondContact OG1-N 3.04Å; T353-I357 PolarHBondContact OG1-O 2.9Å; T353-L359 HydrophobicContact CG2-CD1 3.92Å; T353-L359 HydrophobicContact CG2-CG 4.44Å |
| 354 | K | 89.3 | Confident | 89.1 | Confident | 81 Ų | 81 | 24.8 Ų | 24.8 | 35% | 0.352 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -28.1 | 175.5 | -166.5 | 175.9 | -173.9 | -177 | 0 | 114.2 | N335 V337 D385 V386 | N335-K354 HydrophobicContact CB-CB 3.93Å; N335-K354 HydrophobicContact CB-CD 4.41Å; N335-K354 PolarHBondContact O-N 2.88Å; V337-K354 HydrophobicContact CG2-CB 4.01Å; V337-K354 HydrophobicContact CG2-CG 4.47Å; K354-D385 WeakPolarHBondContact CE-OD1 3.43Å; K354-D385 WeakPolarHBondContact CE-OD2 3.42Å; K354-D385 WeakPolarHBondContact CG-OD1 3.22Å; K354-D385 IonicContact NZ-OD1 2.63Å; K354-D385 IonicContact NZ-OD2 2.68Å; K354-D385 PolarHBondContact NZ-OD2 2.85Å; K354-V386 PolarHBondContact O-N 3.21Å |
| 355 | T | 87.4 | Confident | 90.2 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 17% | 0.166 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.5 | 179.7 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | Q332 T353 I357 L383 | Q332-T355 HydrophobicContact CB-CG2 4.02Å; Q332-T355 HydrophobicContact CG-CG2 4.07Å; T353-T355 PolarHBondContact O-N 3.22Å; T353-T355 VanDerWaalsContact O-N 3.09Å; T353-T355 PolarHBondContact OG1-OG1 2.57Å; T355-I357 WeakPolarHBondContact OG1-CD1 3.31Å; T355-I357 WeakPolarHBondContact OG1-CG1 3.36Å; T355-L383 PolarHBondContact O-N 3.05Å |
| 356 | G | 88.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 88.5 | 8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | T353 | T353-G356 PolarHBondContact O-N 3.4Š|
| 357 | I | 91.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | trans | -69.5 | 132.7 | 172.2 | -56.7 | 164.9 | 0 | 0 | 0 | 109.5 | V328 Q332 F333 T353 T355 L359 I370 L372 P373 | V328-I357 HydrophobicContact CG1-CD1 4.08Å; Q332-I357 HydrophobicContact CB-CD1 4.07Å; F333-I357 HydrophobicContact CD1-CD1 4.03Å; F333-I357 HydrophobicContact CD1-CG2 4.35Å; F333-I357 HydrophobicContact CE1-CD1 3.76Å; F333-I357 HydrophobicContact CE1-CG2 4.06Å; F333-I357 HydrophobicContact CZ-CD1 4.32Å; T353-I357 HydrophobicContact CG2-CB 4.2Å; T353-I357 PolarHBondContact N-O 3.37Å; T353-I357 WeakPolarHBondContact OG1-CA 3.42Å; T353-I357 VanDerWaalsContact OG1-CB 3.24Å; T353-I357 WeakPolarHBondContact OG1-CB 3.5Å; T353-I357 PolarHBondContact OG1-N 3.04Å; T353-I357 PolarHBondContact OG1-O 2.9Å; T355-I357 WeakPolarHBondContact OG1-CD1 3.31Å; T355-I357 WeakPolarHBondContact OG1-CG1 3.36Å; I357-L359 HydrophobicContact CG2-CD2 4.08Å; I357-L359 HydrophobicContact CG2-CG 4.49Å; I357-I370 HydrophobicContact CG2-CG2 3.71Å; I357-L372 HydrophobicContact CD1-CD2 4.15Å; I357-L372 HydrophobicContact CG1-CD2 4.03Å; I357-L372 HydrophobicContact CG2-CD2 4.17Å; I357-P373 HydrophobicContact CG1-CG 4.41Å | ||
| 358 | R | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.3 | -179 | -73.2 | 169.4 | -70.6 | 163.7 | 4.9 | 110.4 | Y53 L350 I352 Y360 R371 E496 | Y53-R358 PolarHBondContact OH-NH2 3.35Å; L350-R358 HydrophobicContact CD1-CB 3.82Å; L350-R358 HydrophobicContact CD1-CG 4.16Å; I352-R358 HydrophobicContact CG1-CG 4.18Å; R358-Y360 HydrophobicContact CB-CE2 4.22Å; R358-R371 HydrophobicContact CB-CB 4.15Å; R358-R371 PolarHBondContact N-O 3.47Å; R358-R371 VanDerWaalsContact NH2-CG 3.34Å; R358-R371 PolarHBondContact O-N 3.24Å; R358-E496 IonicContact CZ-OE1 2.71Å; R358-E496 IonicContact CZ-OE2 2.73Å; R358-E496 IonicContact NH1-OE1 2.67Å; R358-E496 PolarHBondContact NH1-OE1 2.87Å; R358-E496 IonicContact NH1-OE2 3.88Å; R358-E496 IonicContact NH2-OE1 2.7Å; R358-E496 PolarHBondContact NH2-OE1 2.91Å; R358-E496 IonicContact NH2-OE2 2.78Å; R358-E496 PolarHBondContact NH2-OE2 3.31Å |
| 359 | L | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.5 | -176.1 | -57.9 | 171.9 | 0 | 0 | 0 | 109.1 | L317 F333 L350 A351 T353 I357 F361 L367 I370 | L317-L359 HydrophobicContact CD1-CD1 4.08Å; L317-L359 HydrophobicContact CD2-CD1 3.92Å; L317-L359 HydrophobicContact CG-CD1 4.42Å; F333-L359 HydrophobicContact CD1-CD2 4.33Å; L350-L359 WeakPolarHBondContact CA-O 3.38Å; A351-L359 HydrophobicContact CB-CB 4.35Å; A351-L359 PolarHBondContact N-O 2.93Å; A351-L359 PolarHBondContact O-N 3.48Å; T353-L359 HydrophobicContact CG2-CD1 3.92Å; T353-L359 HydrophobicContact CG2-CG 4.44Å; I357-L359 HydrophobicContact CG2-CD2 4.08Å; I357-L359 HydrophobicContact CG2-CG 4.49Å; L359-F361 HydrophobicContact CB-CE2 3.92Å; L359-F361 HydrophobicContact CB-CZ 4.12Å; L359-L367 HydrophobicContact CB-CD1 4.17Å; L359-L367 HydrophobicContact CD2-CD1 4.27Å; L359-I370 HydrophobicContact CD2-CB 4.27Å; L359-I370 HydrophobicContact CD2-CD1 4.38Å; L359-I370 HydrophobicContact CD2-CG1 3.78Å; L359-I370 HydrophobicContact CD2-CG2 3.93Å |
| 360 | Y | 92.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125 | 179.4 | -64.5 | -89.8 | 0 | 0 | 0 | 110 | L32 L36 L342 C347 L350 R358 L368 H369 R371 | L32-Y360 HydrophobicContact CD2-CD1 4.46Å; L32-Y360 HydrophobicContact CD2-CE1 3.86Å; L36-Y360 HydrophobicContact CD1-CD2 4.28Å; L36-Y360 HydrophobicContact CD1-CE2 4.36Å; L36-Y360 HydrophobicContact CD1-CG 4.36Å; L342-Y360 HydrophobicContact CD1-CD1 3.96Å; L342-Y360 HydrophobicContact CD1-CE1 4.16Å; C347-Y360 HydrophobicContact CB-CD1 4.39Å; L350-Y360 HydrophobicContact CD1-CD1 4.18Å; L350-Y360 HydrophobicContact CD1-CE1 3.85Å; L350-Y360 HydrophobicContact CD1-CE2 4.3Å; R358-Y360 HydrophobicContact CB-CE2 4.22Å; Y360-L368 PolarHBondContact O-N 2.89Å; Y360-H369 HydrophobicContact CD2-CB 4.39Å; Y360-H369 AromaticContact CD2-ND1 3.82Å; Y360-H369 PolarHBondContact N-O 3.47Å; Y360-H369 PolarHBondContact O-N 3.46Å; Y360-R371 HydrophobicContact CE2-CB 4.07Å |
| 361 | F | 93.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.4 | 176.7 | -55.8 | -89.8 | 0 | 0 | 0 | 111.4 | L293 L312 L317 C347 Y348 L349 A351 L359 L365 R366 L367 | L293-F361 HydrophobicContact CD1-CE2 4.08Å; L293-F361 HydrophobicContact CD1-CZ 3.87Å; L312-F361 HydrophobicContact CD2-CD1 4.46Å; L312-F361 HydrophobicContact CD2-CE1 3.67Å; L312-F361 HydrophobicContact CD2-CZ 4.41Å; L317-F361 HydrophobicContact CD1-CE1 3.9Å; L317-F361 HydrophobicContact CD1-CZ 3.49Å; L317-F361 VanDerWaalsContact CD1-CZ 3.49Å; C347-F361 CarbonylContact C-O 3.59Å; C347-F361 WeakPolarHBondContact CA-O 3.34Å; Y348-F361 PolarHBondContact N-O 2.96Å; L349-F361 HydrophobicContact CB-CB 4.23Å; L349-F361 HydrophobicContact CB-CD2 4.23Å; L349-F361 HydrophobicContact CD2-CD2 4.2Å; L349-F361 HydrophobicContact CG-CD2 4.45Å; L349-F361 PolarHBondContact N-O 2.93Å; L349-F361 PolarHBondContact O-N 3.29Å; A351-F361 HydrophobicContact CB-CE2 3.67Å; L359-F361 HydrophobicContact CB-CE2 3.92Å; L359-F361 HydrophobicContact CB-CZ 4.12Å; F361-L365 WeakPolarHBondContact CD1-O 3.29Å; F361-R366 CarbonylContact C-O 3.45Å; F361-R366 VanDerWaalsContact CA-O 3.29Å; F361-R366 WeakPolarHBondContact CA-O 3.42Å; F361-L367 HydrophobicContact CD1-CB 4.34Å; F361-L367 HydrophobicContact CD1-CD1 4.27Å; F361-L367 HydrophobicContact CE1-CB 4.31Å; F361-L367 HydrophobicContact CE1-CD1 3.95Å; F361-L367 HydrophobicContact CZ-CD1 4.3Å |
| 362 | G | 90.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 6% | 0.062 | 12% | 0.119 | C | C | . | . | trans | -101 | -154.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L346 L365 R366 L368 | L346-G362 WeakPolarHBondContact O-CA 3.44Å; G362-L365 PolarHBondContact O-N 3.37Å; G362-R366 PolarHBondContact N-O 3.41Å; G362-L368 VanDerWaalsContact CA-CD1 3.49Å | ||
| 363 | E | 89.2 | Confident | 90.8 | Very high | 127 Ų | 127 | 26.2 Ų | 26.2 | 59% | 0.593 | 12% | 0.124 | S | C | * | . | G | 310 helix | trans | -52.3 | 138.6 | 174.4 | -165.3 | 179.3 | 176.3 | 0 | 0 | 111.7 | Y348 L365 R366 | Y348-E363 HydrophobicContact CE2-CB 4.1Å; Y348-E363 HydrophobicContact CE2-CG 4.29Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 2.83Å; E363-R366 WeakPolarHBondContact O-CB 3.3Å; E363-R366 PolarHBondContact O-N 3.39Å |
| 364 | N | 91.5 | Very high | 90.2 | Very high | 81 Ų | 81 | 26.6 Ų | 26.6 | 43% | 0.433 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | 54.8 | 41.7 | 178.9 | -58.2 | -36.1 | 0 | 0 | 0 | 114.6 | S310 R366 | S310-N364 VanDerWaalsContact OG-CA 3.28Å; S310-N364 WeakPolarHBondContact OG-CA 3.38Å; S310-N364 PolarHBondContact OG-O 2.98Å; N364-R366 PolarHBondContact O-N 3.47Å |
| 365 | L | 92 | Very high | 89.3 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | 53.7 | 28.6 | 179.1 | -63 | 172.3 | 0 | 0 | 0 | 113.5 | Y285 L293 V295 L312 L349 F361 G362 E363 L367 | Y285-L365 HydrophobicContact CD1-CD2 4.32Å; Y285-L365 HydrophobicContact CE1-CD2 4.39Å; L293-L365 HydrophobicContact CB-CD1 3.88Å; L293-L365 HydrophobicContact CB-CD2 4.4Å; V295-L365 HydrophobicContact CB-CD1 4.38Å; V295-L365 HydrophobicContact CB-CG 4.24Å; V295-L365 HydrophobicContact CG1-CD1 3.99Å; V295-L365 HydrophobicContact CG1-CG 3.78Å; L312-L365 HydrophobicContact CB-CB 4.39Å; L312-L365 HydrophobicContact CB-CD1 4.2Å; L349-L365 HydrophobicContact CD2-CD2 3.84Å; F361-L365 WeakPolarHBondContact CD1-O 3.29Å; G362-L365 PolarHBondContact O-N 3.37Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 2.83Å; L365-L367 PolarHBondContact O-N 2.82Å |
| 366 | R | 91.2 | Very high | 88.3 | Confident | 138 Ų | 138 | 26.4 Ų | 26.4 | 52% | 0.521 | 14% | 0.137 | S | C | . | . | trans | -72.4 | 119.2 | 174.5 | -179.2 | -179.7 | 173.7 | -173.6 | -2.9 | 109.5 | C41 F361 G362 E363 N364 L368 | C41-R366 PolarHBondContact O-NH2 2.91Å; F361-R366 CarbonylContact C-O 3.45Å; F361-R366 VanDerWaalsContact CA-O 3.29Å; F361-R366 WeakPolarHBondContact CA-O 3.42Å; G362-R366 PolarHBondContact N-O 3.41Å; E363-R366 WeakPolarHBondContact O-CB 3.3Å; E363-R366 PolarHBondContact O-N 3.39Å; N364-R366 PolarHBondContact O-N 3.47Å; R366-L368 HydrophobicContact CG-CD2 4.49Å; R366-L368 PolarHBondContact O-N 2.68Å | ||
| 367 | L | 91.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 120.3 | 175.1 | -173.2 | 63.4 | 0 | 0 | 0 | 110.5 | V43 I324 L359 F361 L365 I370 | V43-L367 HydrophobicContact CG1-CG 4.21Å; V43-L367 VanDerWaalsContact CG2-O 3.23Å; V43-L367 WeakPolarHBondContact CG2-O 3.29Å; I324-L367 HydrophobicContact CD1-CD2 3.89Å; L359-L367 HydrophobicContact CB-CD1 4.17Å; L359-L367 HydrophobicContact CD2-CD1 4.27Å; F361-L367 HydrophobicContact CD1-CB 4.34Å; F361-L367 HydrophobicContact CD1-CD1 4.27Å; F361-L367 HydrophobicContact CE1-CB 4.31Å; F361-L367 HydrophobicContact CE1-CD1 3.95Å; F361-L367 HydrophobicContact CZ-CD1 4.3Å; L365-L367 PolarHBondContact O-N 2.82Å; L367-I370 HydrophobicContact CD1-CG1 4.33Å; L367-I370 HydrophobicContact CD2-CD1 4.02Å; L367-I370 HydrophobicContact CD2-CG1 4.14Å; L367-I370 HydrophobicContact CG-CG1 4.47Å |
| 368 | L | 89.5 | Confident | 85 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -43.4 | -177.7 | -67.1 | -176.3 | 0 | 0 | 0 | 112.3 | L38 V43 L346 Y360 G362 R366 | L38-L368 HydrophobicContact CD1-CB 4.37Å; L38-L368 HydrophobicContact CD1-CD1 4.29Å; L38-L368 HydrophobicContact CD2-CB 3.74Å; L38-L368 WeakPolarHBondContact CD2-O 3.3Å; V43-L368 WeakPolarHBondContact CG1-O 3.21Å; L346-L368 HydrophobicContact CB-CD1 4.5Å; L346-L368 WeakPolarHBondContact O-CD1 3.3Å; Y360-L368 PolarHBondContact O-N 2.89Å; G362-L368 VanDerWaalsContact CA-CD1 3.49Å; R366-L368 HydrophobicContact CG-CD2 4.49Å; R366-L368 PolarHBondContact O-N 2.68Å |
| 369 | H | 90.9 | Very high | 83.2 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 148.1 | -176.5 | 179.5 | -86.8 | 0 | 0 | 0 | 112.6 | L36 L38 C44 S46 Y360 | L36-H369 HydrophobicContact CD1-CB 4.47Å; L38-H369 HydrophobicContact CD2-CB 3.92Å; C44-H369 WeakPolarHBondContact O-CA 3.47Å; C44-H369 PolarHBondContact O-CD2 2.93Å; S46-H369 PolarHBondContact N-NE2 3.07Å; S46-H369 PolarHBondContact OG-CE1 3.45Å; S46-H369 PolarHBondContact OG-NE2 3.2Å; Y360-H369 HydrophobicContact CD2-CB 4.39Å; Y360-H369 AromaticContact CD2-ND1 3.82Å; Y360-H369 PolarHBondContact N-O 3.47Å; Y360-H369 PolarHBondContact O-N 3.46Å |
| 370 | I | 91.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.8 | 175.7 | -56.1 | 174.6 | 0 | 0 | 0 | 109.5 | C44 F45 S46 A321 I324 V325 F333 I357 L359 L367 L372 | C44-I370 PolarHBondContact O-N 2.81Å; C44-I370 VanDerWaalsContact O-N 3.12Å; F45-I370 CarbonylContact C-O 3.58Å; F45-I370 WeakPolarHBondContact CA-O 3.06Å; F45-I370 HydrophobicContact CB-CB 4.13Å; F45-I370 WeakPolarHBondContact CB-O 3.44Å; S46-I370 PolarHBondContact N-O 3.19Å; A321-I370 HydrophobicContact CB-CD1 3.82Å; I324-I370 HydrophobicContact CB-CD1 4.16Å; I324-I370 HydrophobicContact CD1-CD1 4.07Å; I324-I370 HydrophobicContact CG2-CD1 4.21Å; V325-I370 HydrophobicContact CG2-CB 4.36Å; V325-I370 HydrophobicContact CG2-CD1 3.98Å; V325-I370 HydrophobicContact CG2-CG2 4.15Å; F333-I370 HydrophobicContact CE1-CG2 4.05Å; I357-I370 HydrophobicContact CG2-CG2 3.71Å; L359-I370 HydrophobicContact CD2-CB 4.27Å; L359-I370 HydrophobicContact CD2-CD1 4.38Å; L359-I370 HydrophobicContact CD2-CG1 3.78Å; L359-I370 HydrophobicContact CD2-CG2 3.93Å; L367-I370 HydrophobicContact CD1-CG1 4.33Å; L367-I370 HydrophobicContact CD2-CD1 4.02Å; L367-I370 HydrophobicContact CD2-CG1 4.14Å; L367-I370 HydrophobicContact CG-CG1 4.47Å; I370-L372 HydrophobicContact CG2-CD2 4.25Å |
| 371 | R | 90.5 | Very high | 79.5 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.2 | 175.2 | -173.1 | 72.6 | 172.1 | -171.4 | -1.8 | 109.7 | S46 D52 R358 Y360 L494 E496 | S46-R371 VanDerWaalsContact OG-CD 3.23Å; S46-R371 WeakPolarHBondContact OG-CD 3.28Å; S46-R371 PolarHBondContact OG-NH1 2.71Å; D52-R371 PolarHBondContact O-NH2 3.12Å; R358-R371 HydrophobicContact CB-CB 4.15Å; R358-R371 PolarHBondContact N-O 3.47Å; R358-R371 VanDerWaalsContact NH2-CG 3.34Å; R358-R371 PolarHBondContact O-N 3.24Å; Y360-R371 HydrophobicContact CE2-CB 4.07Å; R371-L494 PolarHBondContact NH1-O 2.96Å; R371-L494 PolarHBondContact NH2-O 2.9Å; R371-E496 IonicContact CZ-OE2 2.76Å; R371-E496 VanDerWaalsContact CZ-OE2 3.3Å; R371-E496 IonicContact NE-OE2 3.78Å; R371-E496 PolarHBondContact NE-OE2 3.04Å; R371-E496 IonicContact NH2-OE2 3.92Å; R371-E496 PolarHBondContact NH2-OE2 3.36Å |
| 372 | L | 89.5 | Confident | 78.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 142.6 | 178.6 | -62.5 | -178.8 | 0 | 0 | 0 | 110.6 | S46 T48 Y53 V325 V328 I357 I370 | S46-L372 PolarHBondContact O-N 2.96Å; T48-L372 HydrophobicContact CG2-CD1 3.63Å; Y53-L372 PolarHBondContact OH-O 2.96Å; V325-L372 HydrophobicContact CG1-CD1 4.07Å; V325-L372 HydrophobicContact CG1-CD2 4.39Å; V328-L372 HydrophobicContact CG2-CD1 4.06Å; V328-L372 HydrophobicContact CG2-CD2 3.94Å; I357-L372 HydrophobicContact CD1-CD2 4.15Å; I357-L372 HydrophobicContact CG1-CD2 4.03Å; I357-L372 HydrophobicContact CG2-CD2 4.17Å; I370-L372 HydrophobicContact CG2-CD2 4.25Å |
| 373 | P | 86.5 | Confident | 76.9 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 157.5 | -178.2 | 29.8 | -36 | 0 | 0 | 0 | 112.5 | I357 L383 | I357-P373 HydrophobicContact CG1-CG 4.41Å; P373-L383 HydrophobicContact CB-CD1 3.68Å; P373-L383 HydrophobicContact CB-CG 3.87Å |
| 374 | P | 79.5 | Confident | 76 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 150.3 | 168.7 | 26 | -31 | 0 | 0 | 0 | 110.7 | Y53 S376 I483 F498 | Y53-P374 HydrophobicContact CD1-CB 3.97Å; Y53-P374 HydrophobicContact CD1-CG 4.27Å; Y53-P374 HydrophobicContact CD2-CB 3.97Å; Y53-P374 HydrophobicContact CE1-CB 4.18Å; Y53-P374 HydrophobicContact CE1-CG 4.14Å; Y53-P374 HydrophobicContact CE2-CB 4.16Å; Y53-P374 HydrophobicContact CG-CB 3.87Å; P374-S376 PolarHBondContact O-N 3.45Å; P374-I483 HydrophobicContact CG-CD1 4.3Å; P374-F498 HydrophobicContact CB-CB 4.47Å; P374-F498 HydrophobicContact CB-CD1 4.22Å; P374-F498 HydrophobicContact CB-CD2 4.44Å; P374-F498 HydrophobicContact CB-CG 4.14Å; P374-F498 HydrophobicContact CG-CB 4.12Å; P374-F498 HydrophobicContact CG-CD1 4.07Å; P374-F498 HydrophobicContact CG-CD2 3.46Å; P374-F498 VanDerWaalsContact CG-CD2 3.46Å; P374-F498 HydrophobicContact CG-CE1 4.3Å; P374-F498 HydrophobicContact CG-CE2 3.67Å; P374-F498 HydrophobicContact CG-CG 3.62Å; P374-F498 HydrophobicContact CG-CZ 4.08Å |
| 375 | S | 71.8 | Confident | 75.5 | Confident | 101 Ų | 101 | 46.9 Ų | 46.9 | 71% | 0.706 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -60.2 | 127.3 | 172.7 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 376 | S | 64.9 | Low | 75.3 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 142 | 176.5 | 161.9 | 0 | 0 | 0 | 0 | 110 | P374 Y378 D379 T380 G382 | P374-S376 PolarHBondContact O-N 3.45Å; S376-Y378 PolarHBondContact O-N 3.38Å; S376-Y378 WeakPolarHBondContact OG-CB 3.3Å; S376-Y378 WeakPolarHBondContact OG-CD2 3.34Å; S376-Y378 PolarHBondContact OG-N 3.34Å; S376-D379 PolarHBondContact O-N 2.96Å; S376-T380 WeakPolarHBondContact CB-OG1 3.3Å; S376-T380 PolarHBondContact N-O 2.92Å; S376-T380 PolarHBondContact OG-OG1 2.91Å; S376-G382 WeakPolarHBondContact CB-O 3.24Å |
| 377 | P | 56.1 | Low | 75.1 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 46% | 0.461 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -10.5 | 172.5 | 25.7 | -33.1 | 0 | 0 | 0 | 112.9 | T500 | P377-T500 HydrophobicContact CG-CG2 4.22Š|
| 378 | Y | 56.3 | Low | 75 | Confident | 120 Ų | 120 | 46 Ų | 46 | 47% | 0.471 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 20.1 | 176.4 | -50.3 | -72.2 | 0 | 0 | 0 | 113.6 | S376 T380 L402 | S376-Y378 PolarHBondContact O-N 3.38Å; S376-Y378 WeakPolarHBondContact OG-CB 3.3Å; S376-Y378 WeakPolarHBondContact OG-CD2 3.34Å; S376-Y378 PolarHBondContact OG-N 3.34Å; Y378-T380 PolarHBondContact O-N 2.95Å; Y378-T380 VanDerWaalsContact O-N 3.12Å; Y378-L402 HydrophobicContact CD2-CD1 4.39Å; Y378-L402 HydrophobicContact CE2-CD1 3.95Å |
| 379 | D | 53.7 | Low | 75.1 | Confident | 163 Ų | 163 | 45.2 Ų | 45.2 | 87% | 0.872 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 61.8 | 17.3 | 174 | -95.5 | -15.8 | 0 | 0 | 0 | 115.8 | S376 | S376-D379 PolarHBondContact O-N 2.96Š|
| 380 | T | 53.3 | Low | 75.1 | Confident | 57 Ų | 57 | 46 Ų | 46 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | trans | -90.1 | 137.1 | 170.7 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | S376 Y378 G382 | S376-T380 WeakPolarHBondContact CB-OG1 3.3Å; S376-T380 PolarHBondContact N-O 2.92Å; S376-T380 PolarHBondContact OG-OG1 2.91Å; Y378-T380 PolarHBondContact O-N 2.95Å; Y378-T380 VanDerWaalsContact O-N 3.12Å; T380-G382 PolarHBondContact O-N 3.37Å; T380-G382 PolarHBondContact OG1-O 3.3Å | ||
| 381 | I | 55.5 | Low | 75 | Confident | 152 Ų | 152 | 48.2 Ų | 48.2 | 78% | 0.779 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -65.8 | 104.2 | 169.7 | -60.1 | 169.8 | 0 | 0 | 0 | 107.7 | ||
| 382 | G | 64.7 | Low | 74.7 | Confident | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 101.8 | 167.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S376 T380 S384 | S376-G382 WeakPolarHBondContact CB-O 3.24Å; T380-G382 PolarHBondContact O-N 3.37Å; T380-G382 PolarHBondContact OG1-O 3.3Å; G382-S384 PolarHBondContact O-N 3.43Å |
| 383 | L | 65.4 | Low | 74 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -89.2 | 60 | -175.5 | -69.1 | 165.6 | 0 | 0 | 0 | 112 | T355 P373 V386 M398 S400 Y481 I483 F498 | T355-L383 PolarHBondContact O-N 3.05Å; P373-L383 HydrophobicContact CB-CD1 3.68Å; P373-L383 HydrophobicContact CB-CG 3.87Å; L383-V386 HydrophobicContact CB-CG2 4.29Å; L383-V386 WeakPolarHBondContact O-CG2 3.45Å; L383-M398 HydrophobicContact CD1-CE 3.44Å; L383-M398 VanDerWaalsContact CD1-CE 3.44Å; L383-M398 HydrophobicContact CD1-SD 4.2Å; L383-S400 PolarHBondContact O-OG 3.27Å; L383-Y481 HydrophobicContact CB-CD2 4.42Å; L383-Y481 HydrophobicContact CB-CE2 4.27Å; L383-Y481 HydrophobicContact CD2-CD1 3.6Å; L383-Y481 HydrophobicContact CD2-CD2 3.98Å; L383-Y481 HydrophobicContact CD2-CE1 3.58Å; L383-Y481 HydrophobicContact CD2-CE2 3.94Å; L383-Y481 HydrophobicContact CD2-CG 3.8Å; L383-I483 HydrophobicContact CD1-CD1 4.16Å; L383-F498 HydrophobicContact CD2-CE2 3.68Å; L383-F498 HydrophobicContact CD2-CZ 3.75Å | ||
| 384 | S | 69.1 | Low | 73.7 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 43.5 | -147.9 | 176.9 | 45.3 | 0 | 0 | 0 | 0 | 113.6 | G382 S400 A401 | G382-S384 PolarHBondContact O-N 3.43Å; S384-S400 WeakPolarHBondContact CB-OG 3.34Å; S384-S400 WeakPolarHBondContact OG-CB 3.42Å; S384-S400 PolarHBondContact OG-OG 3.46Å; S384-A401 WeakPolarHBondContact CB-O 3.34Å |
| 385 | D | 82.1 | Confident | 73.9 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 32% | 0.316 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 90.5 | 180 | -169.1 | -17.5 | 0 | 0 | 0 | 110.7 | K354 K387 S400 A401 | K354-D385 WeakPolarHBondContact CE-OD1 3.43Å; K354-D385 WeakPolarHBondContact CE-OD2 3.42Å; K354-D385 WeakPolarHBondContact CG-OD1 3.22Å; K354-D385 IonicContact NZ-OD1 2.63Å; K354-D385 IonicContact NZ-OD2 2.68Å; K354-D385 PolarHBondContact NZ-OD2 2.85Å; D385-K387 PolarHBondContact O-N 2.85Å; D385-S400 PolarHBondContact N-OG 2.72Å; D385-S400 VanDerWaalsContact N-OG 3.1Å; D385-S400 CarbonylContact O-C 3.58Å; D385-S400 VanDerWaalsContact O-CA 3.31Å; D385-S400 WeakPolarHBondContact O-CA 3.33Å; D385-S400 PolarHBondContact O-OG 2.7Å; D385-A401 HydrophobicContact CB-CB 4.47Å; D385-A401 PolarHBondContact O-N 3.28Å |
| 386 | V | 87.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 124.5 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | V337 K354 L383 M398 S400 | V337-V386 HydrophobicContact CG1-CG1 4.43Å; V337-V386 VanDerWaalsContact CG2-O 3.28Å; V337-V386 WeakPolarHBondContact CG2-O 3.31Å; K354-V386 PolarHBondContact O-N 3.21Å; L383-V386 HydrophobicContact CB-CG2 4.29Å; L383-V386 WeakPolarHBondContact O-CG2 3.45Å; V386-M398 HydrophobicContact CG1-CB 4.08Å; V386-M398 HydrophobicContact CG1-CG 4.12Å; V386-M398 HydrophobicContact CG1-SD 4.35Å; V386-M398 HydrophobicContact CG2-SD 4.27Å; V386-S400 PolarHBondContact N-OG 3.06Å |
| 387 | K | 87.6 | Confident | 76 | Confident | 96 Ų | 96 | 46.5 Ų | 46.5 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -37.9 | 178.5 | -64.4 | -152.3 | -166.4 | 155 | 0 | 114 | V337 D385 V399 H478 | V337-K387 VanDerWaalsContact CG1-O 3.22Å; V337-K387 WeakPolarHBondContact CG1-O 3.48Å; D385-K387 PolarHBondContact O-N 2.85Å; K387-V399 PolarHBondContact N-O 2.87Å; K387-H478 VanDerWaalsContact CE-CE1 3.5Å; K387-H478 WeakPolarHBondContact CE-CE1 3.49Å; K387-H478 PolarHBondContact NZ-CE1 2.78Å; K387-H478 PolarHBondContact NZ-NE2 2.9Å; K387-H478 VanDerWaalsContact NZ-NE2 3.19Å |
| 388 | L | 89.4 | Confident | 77.6 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.7 | -178.2 | -61.2 | 170.7 | 0 | 0 | 0 | 109.4 | M398 V399 A508 L511 | L388-M398 WeakPolarHBondContact O-CA 3.22Å; L388-V399 HydrophobicContact CB-CB 4.17Å; L388-V399 HydrophobicContact CB-CG2 4.24Å; L388-V399 PolarHBondContact N-O 3.31Å; L388-V399 PolarHBondContact O-N 3.2Å; L388-A508 HydrophobicContact CD1-CB 3.88Å; L388-L511 HydrophobicContact CB-CB 4.37Å; L388-L511 HydrophobicContact CD1-CB 4.23Å |
| 389 | A | 91.7 | Very high | 79.1 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 138 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I352 I397 M398 | I352-A389 HydrophobicContact CB-CB 4.43Å; I352-A389 HydrophobicContact CD1-CB 3.47Å; I352-A389 VanDerWaalsContact CD1-CB 3.47Å; I352-A389 HydrophobicContact CG2-CB 4.3Å; A389-I397 VanDerWaalsContact CA-O 3.25Å; A389-I397 WeakPolarHBondContact CA-O 3.29Å; A389-M398 HydrophobicContact CB-CG 3.95Å |
| 390 | V | 90.9 | Very high | 80.6 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 13% | 0.127 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 158.3 | 174.1 | -61 | 0 | 0 | 0 | 0 | 110.1 | I397 L511 V513 L573 | V390-I397 HydrophobicContact CG2-CB 3.92Å; V390-I397 HydrophobicContact CG2-CD1 4.21Å; V390-I397 PolarHBondContact N-O 3.12Å; V390-I397 PolarHBondContact O-N 2.85Å; V390-L511 HydrophobicContact CB-CD2 4.43Å; V390-L511 HydrophobicContact CG1-CB 4.31Å; V390-L511 HydrophobicContact CG1-CD2 4.12Å; V390-L511 HydrophobicContact CG1-CG 3.88Å; V390-L511 VanDerWaalsContact CG1-O 3.29Å; V390-L511 WeakPolarHBondContact CG1-O 3.45Å; V390-L511 HydrophobicContact CG2-CD2 3.58Å; V390-L511 HydrophobicContact CG2-CG 3.8Å; V390-V513 HydrophobicContact CB-CG2 4.17Å; V390-V513 HydrophobicContact CG2-CG2 4.1Å; V390-L573 HydrophobicContact CG2-CD2 4.15Å |
| 391 | E | 89.3 | Confident | 81.8 | Confident | 47 Ų | 47 | 27.3 Ų | 27.3 | 22% | 0.22 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.5 | 178.3 | -177.4 | -84.6 | 137.7 | 0 | 0 | 109.8 | I340 L350 R393 G394 T395 V396 | I340-E391 HydrophobicContact CD1-CB 3.79Å; I340-E391 HydrophobicContact CG2-CB 4.23Å; L350-E391 HydrophobicContact CD2-CG 4.44Å; E391-R393 PolarHBondContact OE1-N 3.36Å; E391-R393 VanDerWaalsContact OE1-N 3.12Å; E391-G394 WeakPolarHBondContact OE1-CA 3.33Å; E391-G394 PolarHBondContact OE1-N 3.02Å; E391-T395 CarbonylContact C-O 3.52Å; E391-T395 VanDerWaalsContact CA-O 3.31Å; E391-T395 WeakPolarHBondContact CA-O 3.15Å; E391-V396 HydrophobicContact CB-CG2 4.5Å; E391-V396 HydrophobicContact CG-CG2 4.18Å |
| 392 | T | 84 | Confident | 82.5 | Confident | 17 Ų | 17 | 22 Ų | 22 | 10% | 0.104 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 118.8 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | G394 T395 V513 R571 L586 | T392-G394 PolarHBondContact O-N 2.96Å; T392-T395 PolarHBondContact N-O 2.77Å; T392-T395 WeakPolarHBondContact O-CB 3.41Å; T392-T395 PolarHBondContact O-N 3.16Å; T392-V513 HydrophobicContact CG2-CG2 4.45Å; T392-R571 VanDerWaalsContact OG1-CD 3.31Å; T392-R571 WeakPolarHBondContact OG1-CD 3.38Å; T392-L586 HydrophobicContact CG2-CD2 4.38Å |
| 393 | R | 76.2 | Confident | 82.3 | Confident | 62 Ų | 62 | 24.1 Ų | 24.1 | 23% | 0.234 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 40.5 | 178.5 | -67 | -71.9 | -167.1 | 125 | 9.6 | 113.3 | E391 T395 E557 V560 D567 | E391-R393 PolarHBondContact OE1-N 3.36Å; E391-R393 VanDerWaalsContact OE1-N 3.12Å; R393-T395 VanDerWaalsContact C-N 3.28Å; R393-T395 PolarHBondContact O-N 2.88Å; R393-E557 WeakPolarHBondContact CD-OE2 3.22Å; R393-E557 IonicContact CZ-OE2 3.53Å; R393-E557 IonicContact NE-OE2 3.97Å; R393-E557 PolarHBondContact NE-OE2 3.38Å; R393-E557 IonicContact NH1-OE2 3.97Å; R393-E557 PolarHBondContact NH1-OE2 3.5Å; R393-E557 IonicContact NH2-OE2 3.35Å; R393-V560 HydrophobicContact CB-CG2 4.14Å; R393-D567 IonicContact CZ-OD1 3.09Å; R393-D567 IonicContact NH2-OD1 3.55Å; R393-D567 PolarHBondContact NH2-OD1 3.46Å |
| 394 | G | 78.3 | Confident | 81.8 | Confident | 25 Ų | 25 | 32.2 Ų | 32.2 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -16.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E391 T392 V396 P485 | E391-G394 WeakPolarHBondContact OE1-CA 3.33Å; E391-G394 PolarHBondContact OE1-N 3.02Å; T392-G394 PolarHBondContact O-N 2.96Å; G394-V396 PolarHBondContact O-N 2.64Å; G394-P485 WeakPolarHBondContact O-CD 3.16Å |
| 395 | T | 85.2 | Confident | 80.7 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 121.6 | 175.4 | -65.1 | 0 | 0 | 0 | 0 | 109.7 | E391 T392 R393 I397 I483 S484 L586 | E391-T395 CarbonylContact C-O 3.52Å; E391-T395 VanDerWaalsContact CA-O 3.31Å; E391-T395 WeakPolarHBondContact CA-O 3.15Å; T392-T395 PolarHBondContact N-O 2.77Å; T392-T395 WeakPolarHBondContact O-CB 3.41Å; T392-T395 PolarHBondContact O-N 3.16Å; R393-T395 VanDerWaalsContact C-N 3.28Å; R393-T395 PolarHBondContact O-N 2.88Å; T395-I397 HydrophobicContact CG2-CG1 4.2Å; T395-I483 CarbonylContact C-O 3.36Å; T395-I483 WeakPolarHBondContact CA-O 3.4Å; T395-S484 WeakPolarHBondContact CG2-OG 3.38Å; T395-S484 PolarHBondContact OG1-OG 3.21Å; T395-L586 HydrophobicContact CG2-CD1 4.4Å; T395-L586 HydrophobicContact CG2-CD2 4.23Å |
| 396 | V | 89.5 | Confident | 78.9 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.2 | 176.8 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | L350 I352 E391 G394 M398 I483 | L350-V396 HydrophobicContact CD2-CG2 4.25Å; I352-V396 HydrophobicContact CD1-CG1 3.73Å; E391-V396 HydrophobicContact CB-CG2 4.5Å; E391-V396 HydrophobicContact CG-CG2 4.18Å; G394-V396 PolarHBondContact O-N 2.64Å; V396-M398 HydrophobicContact CG1-CE 4.26Å; V396-M398 HydrophobicContact CG1-CG 4.08Å; V396-M398 HydrophobicContact CG1-SD 4.48Å; V396-I483 PolarHBondContact N-O 3.15Å; V396-I483 PolarHBondContact O-N 2.81Å |
| 397 | I | 90.3 | Very high | 76.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126 | 177.9 | -56.3 | 161.4 | 0 | 0 | 0 | 107.5 | I64 A389 V390 T395 I480 Y481 T482 L511 L573 | I64-I397 HydrophobicContact CD1-CD1 3.71Å; I64-I397 HydrophobicContact CD1-CG1 4.06Å; I64-I397 HydrophobicContact CD1-CG2 4.24Å; A389-I397 VanDerWaalsContact CA-O 3.25Å; A389-I397 WeakPolarHBondContact CA-O 3.29Å; V390-I397 HydrophobicContact CG2-CB 3.92Å; V390-I397 HydrophobicContact CG2-CD1 4.21Å; V390-I397 PolarHBondContact N-O 3.12Å; V390-I397 PolarHBondContact O-N 2.85Å; T395-I397 HydrophobicContact CG2-CG1 4.2Å; I397-I480 HydrophobicContact CG2-CG2 3.78Å; I397-Y481 CarbonylContact C-O 3.59Å; I397-Y481 WeakPolarHBondContact CA-O 3.26Å; I397-T482 HydrophobicContact CG1-CG2 4.34Å; I397-T482 HydrophobicContact CG2-CG2 4.46Å; I397-L511 HydrophobicContact CB-CD2 4.44Å; I397-L511 HydrophobicContact CG2-CD2 3.95Å; I397-L573 HydrophobicContact CD1-CD1 3.43Å; I397-L573 VanDerWaalsContact CD1-CD1 3.43Å; I397-L573 HydrophobicContact CD1-CD2 3.4Å; I397-L573 VanDerWaalsContact CD1-CD2 3.4Å; I397-L573 HydrophobicContact CD1-CG 4.06Å |
| 398 | M | 89.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.1 | -177.8 | -72.8 | 177.9 | -78.7 | 0 | 0 | 110.4 | I352 L383 V386 L388 A389 V396 Y481 I483 | I352-M398 HydrophobicContact CG2-SD 3.88Å; L383-M398 HydrophobicContact CD1-CE 3.44Å; L383-M398 VanDerWaalsContact CD1-CE 3.44Å; L383-M398 HydrophobicContact CD1-SD 4.2Å; V386-M398 HydrophobicContact CG1-CB 4.08Å; V386-M398 HydrophobicContact CG1-CG 4.12Å; V386-M398 HydrophobicContact CG1-SD 4.35Å; V386-M398 HydrophobicContact CG2-SD 4.27Å; L388-M398 WeakPolarHBondContact O-CA 3.22Å; A389-M398 HydrophobicContact CB-CG 3.95Å; V396-M398 HydrophobicContact CG1-CE 4.26Å; V396-M398 HydrophobicContact CG1-CG 4.08Å; V396-M398 HydrophobicContact CG1-SD 4.48Å; M398-Y481 PolarHBondContact N-O 3.07Å; M398-Y481 PolarHBondContact O-N 3.4Å; M398-I483 HydrophobicContact CE-CD1 3.25Å; M398-I483 HydrophobicContact CE-CG1 4.1Å |
| 399 | V | 88.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.3 | 172.7 | -169.6 | 0 | 0 | 0 | 0 | 108.7 | K387 L388 H478 V479 I480 A508 L511 | K387-V399 PolarHBondContact N-O 2.87Å; L388-V399 HydrophobicContact CB-CB 4.17Å; L388-V399 HydrophobicContact CB-CG2 4.24Å; L388-V399 PolarHBondContact N-O 3.31Å; L388-V399 PolarHBondContact O-N 3.2Å; V399-H478 HydrophobicContact CG1-CB 3.81Å; V399-V479 WeakPolarHBondContact CA-O 3.37Å; V399-I480 HydrophobicContact CG2-CG1 4.35Å; V399-A508 HydrophobicContact CB-CB 4.49Å; V399-A508 HydrophobicContact CG1-CB 3.7Å; V399-L511 HydrophobicContact CG2-CD2 3.9Å |
| 400 | S | 85.5 | Confident | 68.2 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.7 | -173.7 | -166.6 | 0 | 0 | 0 | 0 | 111.4 | L383 S384 D385 V386 H478 V479 | L383-S400 PolarHBondContact O-OG 3.27Å; S384-S400 WeakPolarHBondContact CB-OG 3.34Å; S384-S400 WeakPolarHBondContact OG-CB 3.42Å; S384-S400 PolarHBondContact OG-OG 3.46Å; D385-S400 PolarHBondContact N-OG 2.72Å; D385-S400 VanDerWaalsContact N-OG 3.1Å; D385-S400 CarbonylContact O-C 3.58Å; D385-S400 VanDerWaalsContact O-CA 3.31Å; D385-S400 WeakPolarHBondContact O-CA 3.33Å; D385-S400 PolarHBondContact O-OG 2.7Å; V386-S400 PolarHBondContact N-OG 3.06Å; S400-H478 CarbonylContact O-C 3.58Å; S400-H478 WeakPolarHBondContact O-CA 3.28Å; S400-V479 PolarHBondContact N-O 2.81Å; S400-V479 PolarHBondContact O-N 2.86Å |
| 401 | A | 78.3 | Confident | 65.6 | Low | 9 Ų | 9 | 56 Ų | 56 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S384 D385 | S384-A401 WeakPolarHBondContact CB-O 3.34Å; D385-A401 HydrophobicContact CB-CB 4.47Å; D385-A401 PolarHBondContact O-N 3.28Å |
| 402 | L | 69.6 | Low | 63 | Low | 41 Ų | 41 | 56.8 Ų | 56.8 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 131.9 | 176.9 | -160 | 75.7 | 0 | 0 | 0 | 110.2 | Y378 Q404 P477 V479 | Y378-L402 HydrophobicContact CD2-CD1 4.39Å; Y378-L402 HydrophobicContact CE2-CD1 3.95Å; L402-Q404 PolarHBondContact O-N 2.8Å; L402-P477 HydrophobicContact CB-CG 4.27Å; L402-P477 WeakPolarHBondContact CB-O 3.4Å; L402-P477 HydrophobicContact CD2-CG 4.17Å; L402-P477 PolarHBondContact N-O 2.81Å; L402-V479 HydrophobicContact CD1-CG2 3.91Å |
| 403 | P | 61.7 | Low | 60.5 | Low | 51 Ų | 51 | 62.5 Ų | 62.5 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 132.9 | 179.6 | -20.6 | 30.5 | 0 | 0 | 0 | 112.2 | N405 | P403-N405 PolarHBondContact O-N 3.22Š|
| 404 | Q | 54.4 | Low | 58.4 | Low | 170 Ų | 170 | 63 Ų | 63 | 79% | 0.794 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -9.1 | -178.3 | -69.3 | -177.5 | -13.6 | 0 | 0 | 114.9 | L402 | L402-Q404 PolarHBondContact O-N 2.8Š|
| 405 | N | 46 | Very low | 56 | Low | 161 Ų | 161 | 70.9 Ų | 70.9 | 86% | 0.861 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 20.7 | -174.7 | -95.5 | -14.7 | 0 | 0 | 0 | 115.3 | P403 S407 | P403-N405 PolarHBondContact O-N 3.22Å; N405-S407 PolarHBondContact O-N 2.98Å |
| 406 | V | 44.6 | Very low | 53.4 | Low | 77 Ų | 77 | 78.6 Ų | 78.6 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | trans | -85.8 | 85.7 | 167.7 | -168.7 | 0 | 0 | 0 | 0 | 108.5 | S408 | V406-S408 PolarHBondContact O-N 3.16Å; V406-S408 VanDerWaalsContact O-N 3.13Å | ||
| 407 | S | 31.5 | Very low | 50.5 | Low | 95 Ų | 95 | 82.1 Ų | 82.1 | 66% | 0.664 | 49% | 0.493 | S | S | * | . | trans | -57.3 | 116.2 | 168.1 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | N405 T409 | N405-S407 PolarHBondContact O-N 2.98Å; S407-T409 PolarHBondContact O-N 2.8Å | ||
| 408 | S | 32.5 | Very low | 47.5 | Very low | 104 Ų | 104 | 86 Ų | 86 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 46.1 | 38.7 | 147.3 | 62.8 | 0 | 0 | 0 | 0 | 119.5 | V406 | V406-S408 PolarHBondContact O-N 3.16Å; V406-S408 VanDerWaalsContact O-N 3.13Å |
| 409 | T | 32.2 | Very low | 44.5 | Very low | 78 Ų | 78 | 97.1 Ų | 97.1 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | trans | -123.9 | 59.8 | 163.5 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | S407 T412 | S407-T409 PolarHBondContact O-N 2.8Å; T409-T412 WeakPolarHBondContact CB-OG1 3.46Å; T409-T412 PolarHBondContact O-OG1 3.35Å | ||
| 410 | V | 35.1 | Very low | 41.6 | Very low | 135 Ų | 135 | 106.8 Ų | 106.8 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -77 | -2.9 | 161.6 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | T412 | V410-T412 PolarHBondContact O-N 2.87Š|
| 411 | S | 35.4 | Very low | 38.7 | Very low | 100 Ų | 100 | 110.6 Ų | 110.6 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -85.1 | 5.9 | 173.3 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 412 | T | 34.3 | Very low | 36.1 | Very low | 62 Ų | 62 | 116.3 Ų | 116.3 | 38% | 0.38 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -106.3 | 5.2 | -177.7 | 22.3 | 0 | 0 | 0 | 0 | 116.2 | T409 V410 G414 R415 | T409-T412 WeakPolarHBondContact CB-OG1 3.46Å; T409-T412 PolarHBondContact O-OG1 3.35Å; V410-T412 PolarHBondContact O-N 2.87Å; T412-G414 PolarHBondContact O-N 2.58Å; T412-R415 HydrophobicContact CG2-CB 4.18Å; T412-R415 PolarHBondContact O-N 2.88Å |
| 413 | L | 32.5 | Very low | 33.9 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 72% | 0.717 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -15.4 | 163.8 | -105.9 | 125.4 | 0 | 0 | 0 | 112.6 | L440 | L413-L440 HydrophobicContact CD2-CD2 3.39Š|
| 414 | G | 32.9 | Very low | 32.1 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 5.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T412 | T412-G414 PolarHBondContact O-N 2.58Š|
| 415 | R | 27.5 | Very low | 30.6 | Very low | 190 Ų | 190 | 128.1 Ų | 128.1 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | -127.9 | 2.8 | -170.6 | -106.7 | -176.8 | -177.2 | -166.9 | 1.9 | 117.5 | T412 G417 | T412-R415 HydrophobicContact CG2-CB 4.18Å; T412-R415 PolarHBondContact O-N 2.88Å; R415-G417 PolarHBondContact O-N 3.36Å | ||
| 416 | L | 29.3 | Very low | 29.5 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 1.3 | 165.2 | -107.3 | 89.9 | 0 | 0 | 0 | 113.9 | ||
| 417 | G | 30 | Very low | 28.5 | Very low | 75 Ų | 75 | 126.8 Ų | 126.8 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 10.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R415 | R415-G417 PolarHBondContact O-N 3.36Š|
| 418 | S | 26.7 | Very low | 28.1 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -129 | 10.6 | -168 | -168.8 | 0 | 0 | 0 | 0 | 117 | ||
| 419 | R | 25.8 | Very low | 27.7 | Very low | 233 Ų | 233 | 126.4 Ų | 126.4 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -114.2 | 4.5 | 175.4 | -79.2 | -166.9 | -167.6 | -178.4 | 7 | 116.9 | ||
| 420 | Y | 29 | Very low | 27.3 | Very low | 202 Ų | 202 | 129.5 Ų | 129.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -126.3 | 27.4 | 169.9 | -70.2 | -75 | 0 | 0 | 0 | 113.3 | T422 | Y420-T422 PolarHBondContact O-N 2.69Š|
| 421 | A | 23 | Very low | 26.8 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -97.6 | 67.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 422 | T | 23.6 | Very low | 26.3 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -151.8 | 81.3 | 160.4 | 12.3 | 0 | 0 | 0 | 0 | 107.5 | Y420 | Y420-T422 PolarHBondContact O-N 2.69Š| ||
| 423 | T | 24.1 | Very low | 25.8 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -179 | 142.5 | 133.9 | -64.3 | 0 | 0 | 0 | 0 | 107.5 | ||
| 424 | T | 24.5 | Very low | 25.4 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | 69.2 | 88.7 | -179.8 | 63.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 425 | R | 21.6 | Very low | 25 | Very low | 254 Ų | 254 | 138.7 Ų | 138.7 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -75.9 | 108.7 | 149.8 | -101.1 | 176.3 | 165.4 | 161.3 | -4.1 | 109.3 | ||||
| 426 | S | 23.7 | Very low | 24.8 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 159.2 | 121.5 | 156.1 | 53.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 427 | A | 24.5 | Very low | 24.5 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -147.9 | 148.6 | 30.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 428 | A | 21.8 | Very low | 24.3 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -89 | 118.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 429 | A | 24.6 | Very low | 24.2 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -146.2 | 108.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 430 | T | 24.4 | Very low | 24.2 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -16.2 | 117 | 155.8 | 32.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 431 | L | 24.4 | Very low | 24 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | -145.9 | 144.9 | 154.7 | -99.4 | 162.7 | 0 | 0 | 0 | 110.7 | ||||
| 432 | N | 24.6 | Very low | 24.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -58 | 139.6 | -161.9 | -79.3 | -36.1 | 0 | 0 | 0 | 116.2 | S434 | N432-S434 PolarHBondContact O-N 2.82Å; N432-S434 VanDerWaalsContact O-N 3.11Å | ||
| 433 | Q | 23.4 | Very low | 24.2 | Very low | 206 Ų | 206 | 133.2 Ų | 133.2 | 96% | 0.963 | 77% | 0.765 | S | S | * | * | trans | -70.5 | 92.7 | 164.8 | -73.4 | 176.4 | -15.6 | 0 | 0 | 110.5 | ||||
| 434 | S | 23.7 | Very low | 24.3 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -155.9 | 132.4 | 155 | 53.4 | 0 | 0 | 0 | 0 | 107.8 | N432 | N432-S434 PolarHBondContact O-N 2.82Å; N432-S434 VanDerWaalsContact O-N 3.11Å | ||
| 435 | S | 24.5 | Very low | 24.3 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 74.3 | 49.8 | 169.7 | 79.9 | 0 | 0 | 0 | 0 | 119.7 | ||
| 436 | L | 22.9 | Very low | 24.4 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | -152.3 | 73 | 152 | -76.3 | -177.6 | 0 | 0 | 0 | 109.7 | ||||
| 437 | N | 23.1 | Very low | 24.5 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -132 | 85.3 | 162.5 | -102.8 | -4.6 | 0 | 0 | 0 | 107 | ||||
| 438 | M | 26 | Very low | 24.5 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | -104.6 | 78.4 | 150.9 | -82 | -93.1 | 69 | 0 | 0 | 105.5 | L440 | M438-L440 PolarHBondContact O-N 3.38Š| ||
| 439 | S | 25.6 | Very low | 24.7 | Very low | 60 Ų | 60 | 132.7 Ų | 132.7 | 42% | 0.42 | 74% | 0.741 | S | S | . | * | trans | -66.5 | 122.5 | 174.3 | 46.9 | 0 | 0 | 0 | 0 | 109.3 | G441 | S439-G441 PolarHBondContact O-N 3.42Å; S439-G441 VanDerWaalsContact O-N 3.1Å | ||
| 440 | L | 24.6 | Very low | 24.9 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -42.5 | 112.9 | 143.6 | -116.4 | 87.4 | 0 | 0 | 0 | 107.6 | L413 M438 | L413-L440 HydrophobicContact CD2-CD2 3.39Å; M438-L440 PolarHBondContact O-N 3.38Å |
| 441 | G | 25.1 | Very low | 25 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | 112.7 | 73 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S439 | S439-G441 PolarHBondContact O-N 3.42Å; S439-G441 VanDerWaalsContact O-N 3.1Å | ||
| 442 | Q | 25.6 | Very low | 25.1 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -157.6 | 37.5 | 152.5 | -116.7 | -179.6 | 17.2 | 0 | 0 | 112.3 | ||
| 443 | F | 25.1 | Very low | 25.2 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 75% | 0.746 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -139.2 | 117.8 | 158.4 | -73.5 | -82.2 | 0 | 0 | 0 | 105.1 | ||
| 444 | F | 25.8 | Very low | 25.2 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 54% | 0.544 | 72% | 0.722 | S | S | . | * | S | Bend | trans | 72.1 | 71.8 | 178 | -48.3 | -74.9 | 0 | 0 | 0 | 118.3 | D505 Q579 | F444-D505 VanDerWaalsContact CB-OD2 3.3Å; F444-D505 WeakPolarHBondContact CB-OD2 3.41Å; F444-D505 HydrophobicContact CD2-CB 4.26Å; F444-D505 WeakPolarHBondContact CD2-OD2 3.32Å; F444-Q579 HydrophobicContact CE2-CG 4.48Å; F444-Q579 HydrophobicContact CZ-CG 3.84Å |
| 445 | T | 24.3 | Very low | 25.4 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -151.2 | 117.6 | 135.1 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | D447 | T445-D447 PolarHBondContact O-N 3.31Š| ||
| 446 | S | 25.1 | Very low | 25.4 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -61.1 | 123.6 | 161.7 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 447 | D | 24.7 | Very low | 25.4 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -131.5 | 129.7 | 152.6 | -92 | -31.2 | 0 | 0 | 0 | 110.6 | T445 | T445-D447 PolarHBondContact O-N 3.31Š| ||
| 448 | L | 25.9 | Very low | 25.5 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -64.4 | 150.6 | 175 | -159.1 | 73.1 | 0 | 0 | 0 | 109.5 | ||||
| 449 | D | 26.3 | Very low | 25.4 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 73.7 | 95.8 | 167.2 | -53.6 | -29.9 | 0 | 0 | 0 | 117.6 | ||||
| 450 | N | 27.8 | Very low | 25.3 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | 167.1 | 153.9 | 86.5 | -145.3 | -13.5 | 0 | 0 | 0 | 111.7 | |||||
| 451 | S | 26.9 | Very low | 25.4 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -54.8 | 154.4 | -167.9 | 52.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 452 | N | 25.2 | Very low | 25.5 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 79.1 | 98.1 | 153.8 | -66.7 | -18.1 | 0 | 0 | 0 | 120.1 | ||||
| 453 | S | 27.5 | Very low | 25.5 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | 162.7 | 110.8 | 98 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 454 | S | 24.7 | Very low | 25.7 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 22.7 | 108.5 | 143.1 | 168.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 455 | Y | 27.7 | Very low | 26.2 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 93% | 0.933 | 81% | 0.811 | S | S | * | * | -146.4 | 126.2 | 119.1 | -84.6 | -73.6 | 0 | 0 | 0 | 110.2 | |||||
| 456 | K | 23.6 | Very low | 26.8 | Very low | 209 Ų | 209 | 141 Ų | 141 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -84.4 | 121.9 | -177.7 | -77.8 | 173.7 | 170.9 | 176.8 | 0 | 111 | ||||
| 457 | A | 23.6 | Very low | 27.6 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 176.3 | 138.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 458 | A | 24.6 | Very low | 28.4 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 77.8 | 61.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 459 | A | 23.5 | Very low | 29.2 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -154.2 | 80.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 460 | V | 25 | Very low | 30 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -133.2 | 133.1 | 161.3 | 177.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 461 | L | 26 | Very low | 30.7 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 90.4 | 73.3 | -164.3 | -53.4 | 171 | 0 | 0 | 0 | 113.7 | ||||
| 462 | N | 26.8 | Very low | 31.6 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | -154 | 79 | 139.6 | -96.5 | -16.8 | 0 | 0 | 0 | 108.3 | ||||
| 463 | Q | 26.3 | Very low | 32.6 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -127.4 | 132.4 | 147.6 | -75.1 | -175.6 | -0.4 | 0 | 0 | 104.9 | ||
| 464 | S | 29.3 | Very low | 33.8 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 65.3 | 98.7 | -175.9 | 63.9 | 0 | 0 | 0 | 0 | 117.3 | ||
| 465 | D | 34.7 | Very low | 35.4 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | 177.6 | 102.2 | 113 | -85.8 | -18.4 | 0 | 0 | 0 | 112 | N467 | D465-N467 PolarHBondContact O-N 2.99Š| |||
| 466 | D | 37.2 | Very low | 37.2 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -2 | 179.3 | -83.2 | -37.8 | 0 | 0 | 0 | 114 | ||
| 467 | N | 42 | Very low | 39.5 | Very low | 139 Ų | 139 | 114.9 Ų | 114.9 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -24.9 | -168.5 | -74.6 | -23.7 | 0 | 0 | 0 | 115.3 | D465 | D465-N467 PolarHBondContact O-N 2.99Š|
| 468 | L | 41.1 | Very low | 42.3 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 42% | 0.419 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | -27.6 | -179.6 | -149.3 | 77.7 | 0 | 0 | 0 | 112.9 | I77 V470 F471 | I77-L468 HydrophobicContact CG2-CD1 4.02Å; I77-L468 HydrophobicContact CG2-CD2 3.81Å; I77-L468 HydrophobicContact CG2-CG 4.48Å; L468-V470 PolarHBondContact O-N 3.44Å; L468-F471 PolarHBondContact O-N 2.72Å |
| 469 | N | 42.9 | Very low | 45 | Very low | 91 Ų | 91 | 105.4 Ų | 105.4 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.9 | -11.4 | -177.5 | -80.6 | -30.8 | 0 | 0 | 0 | 114.3 | ||
| 470 | V | 43.1 | Very low | 47.9 | Very low | 93 Ų | 93 | 100.7 Ų | 100.7 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -82.6 | -32.5 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | L468 | L468-V470 PolarHBondContact O-N 3.44Å |
| 471 | F | 43.2 | Very low | 50.8 | Low | 166 Ų | 166 | 94.1 Ų | 94.1 | 73% | 0.728 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.6 | -38.3 | 179.9 | -109.9 | -85 | 0 | 0 | 0 | 112.8 | L468 | L468-F471 PolarHBondContact O-N 2.72Å |
| 472 | T | 46.1 | Very low | 53.7 | Low | 28 Ų | 28 | 86.4 Ų | 86.4 | 17% | 0.172 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -76.2 | -30 | -176.7 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | Q474 I475 | T472-Q474 VanDerWaalsContact C-N 3.28Å; T472-Q474 PolarHBondContact O-N 3.12Å; T472-I475 PolarHBondContact O-N 2.96Å |
| 473 | K | 46.3 | Very low | 56.5 | Low | 185 Ų | 185 | 78.6 Ų | 78.6 | 80% | 0.804 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17.2 | 179 | -86.2 | -177.8 | 176.6 | 176 | 0 | 115 | ||
| 474 | Q | 51.5 | Low | 59.2 | Low | 161 Ų | 161 | 70 Ų | 70 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -14.2 | 178 | -73.9 | -171.9 | -5.9 | 0 | 0 | 113.7 | T472 | T472-Q474 VanDerWaalsContact C-N 3.28Å; T472-Q474 PolarHBondContact O-N 3.12Å |
| 475 | I | 59.9 | Low | 61.8 | Low | 58 Ų | 58 | 66.1 Ų | 66.1 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -89.2 | 121.1 | -176.2 | -55.9 | 172.5 | 0 | 0 | 0 | 108.4 | T472 | T472-I475 PolarHBondContact O-N 2.96Š|
| 476 | P | 64.5 | Low | 63.7 | Low | 36 Ų | 36 | 61.9 Ų | 61.9 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 141.9 | 178.7 | 23.5 | -31.6 | 0 | 0 | 0 | 110.4 | H478 | P476-H478 PolarHBondContact O-CD2 2.86Å; P476-H478 VanDerWaalsContact O-CD2 3.26Å |
| 477 | P | 72.1 | Confident | 65.4 | Low | 41 Ų | 41 | 56.1 Ų | 56.1 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 146.2 | -179.1 | 27 | -34.8 | 0 | 0 | 0 | 110.7 | L402 | L402-P477 HydrophobicContact CB-CG 4.27Å; L402-P477 WeakPolarHBondContact CB-O 3.4Å; L402-P477 HydrophobicContact CD2-CG 4.17Å; L402-P477 PolarHBondContact N-O 2.81Å |
| 478 | H | 81.6 | Confident | 67.1 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.1 | -177.3 | -85 | -99.5 | 0 | 0 | 0 | 111.1 | K387 V399 S400 P476 C503 V504 G507 | K387-H478 VanDerWaalsContact CE-CE1 3.5Å; K387-H478 WeakPolarHBondContact CE-CE1 3.49Å; K387-H478 PolarHBondContact NZ-CE1 2.78Å; K387-H478 PolarHBondContact NZ-NE2 2.9Å; K387-H478 VanDerWaalsContact NZ-NE2 3.19Å; V399-H478 HydrophobicContact CG1-CB 3.81Å; S400-H478 CarbonylContact O-C 3.58Å; S400-H478 WeakPolarHBondContact O-CA 3.28Å; P476-H478 PolarHBondContact O-CD2 2.86Å; P476-H478 VanDerWaalsContact O-CD2 3.26Å; H478-C503 CarbonylContact O-C 3.58Å; H478-C503 VanDerWaalsContact O-CA 3.3Å; H478-C503 WeakPolarHBondContact O-CA 3.28Å; H478-V504 PolarHBondContact N-O 3.02Å; H478-V504 PolarHBondContact O-N 3.23Å; H478-G507 VanDerWaalsContact CD2-CA 3.45Å; H478-G507 WeakPolarHBondContact CD2-CA 3.43Å |
| 479 | V | 81.5 | Confident | 68.5 | Low | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.5 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | V399 S400 L402 Y481 W502 | V399-V479 WeakPolarHBondContact CA-O 3.37Å; S400-V479 PolarHBondContact N-O 2.81Å; S400-V479 PolarHBondContact O-N 2.86Å; L402-V479 HydrophobicContact CD1-CG2 3.91Å; V479-Y481 HydrophobicContact CB-CE2 4.3Å; V479-Y481 HydrophobicContact CG1-CE1 4.18Å; V479-Y481 HydrophobicContact CG1-CE2 4.19Å; V479-W502 WeakPolarHBondContact CA-O 3.25Å |
| 480 | I | 84.7 | Confident | 70.1 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.8 | 173.5 | -52.4 | -177.5 | 0 | 0 | 0 | 109.6 | I397 V399 W502 V504 L575 F584 | I397-I480 HydrophobicContact CG2-CG2 3.78Å; V399-I480 HydrophobicContact CG2-CG1 4.35Å; I480-W502 HydrophobicContact CB-CB 4.37Å; I480-W502 HydrophobicContact CD1-CB 4.01Å; I480-W502 HydrophobicContact CG1-CB 4.27Å; I480-W502 PolarHBondContact N-O 3.4Å; I480-V504 HydrophobicContact CD1-CG2 4.08Å; I480-V504 HydrophobicContact CG1-CG2 4.43Å; I480-L575 HydrophobicContact CD1-CD2 3.93Å; I480-F584 HydrophobicContact CD1-CE1 4.42Å; I480-F584 HydrophobicContact CD1-CE2 3.79Å; I480-F584 HydrophobicContact CD1-CZ 3.6Å |
| 481 | Y | 85.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131 | 173 | -65.6 | -71.7 | 0 | 0 | 0 | 109.7 | L383 I397 M398 V479 F498 T500 | L383-Y481 HydrophobicContact CB-CD2 4.42Å; L383-Y481 HydrophobicContact CB-CE2 4.27Å; L383-Y481 HydrophobicContact CD2-CD1 3.6Å; L383-Y481 HydrophobicContact CD2-CD2 3.98Å; L383-Y481 HydrophobicContact CD2-CE1 3.58Å; L383-Y481 HydrophobicContact CD2-CE2 3.94Å; L383-Y481 HydrophobicContact CD2-CG 3.8Å; I397-Y481 CarbonylContact C-O 3.59Å; I397-Y481 WeakPolarHBondContact CA-O 3.26Å; M398-Y481 PolarHBondContact N-O 3.07Å; M398-Y481 PolarHBondContact O-N 3.4Å; V479-Y481 HydrophobicContact CB-CE2 4.3Å; V479-Y481 HydrophobicContact CG1-CE1 4.18Å; V479-Y481 HydrophobicContact CG1-CE2 4.19Å; Y481-F498 AromaticContact CD1-CE2 3.27Å; Y481-F498 HydrophobicContact CD1-CE2 3.27Å; Y481-F498 AromaticContact CD1-CZ 3.3Å; Y481-F498 HydrophobicContact CD1-CZ 3.3Å; Y481-F498 HydrophobicContact CE1-CE2 4.01Å; Y481-F498 AromaticContact CE1-CZ 3.56Å; Y481-F498 HydrophobicContact CE1-CZ 3.56Å; Y481-F498 HydrophobicContact CG-CE2 4.01Å; Y481-F498 HydrophobicContact CG-CZ 4.41Å; Y481-T500 HydrophobicContact CD1-CG2 3.48Å; Y481-T500 VanDerWaalsContact CD1-CG2 3.48Å; Y481-T500 HydrophobicContact CE1-CG2 3.39Å |
| 482 | T | 86.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.3 | 173.4 | 55.2 | 0 | 0 | 0 | 0 | 108.7 | I64 I397 F498 T499 | I64-T482 HydrophobicContact CB-CG2 4.11Å; I64-T482 HydrophobicContact CD1-CG2 3.35Å; I64-T482 HydrophobicContact CG1-CG2 3.72Å; I397-T482 HydrophobicContact CG1-CG2 4.34Å; I397-T482 HydrophobicContact CG2-CG2 4.46Å; T482-F498 WeakPolarHBondContact O-CA 2.87Å; T482-T499 PolarHBondContact N-O 3.07Å; T482-T499 PolarHBondContact O-N 3.45Å; T482-T499 PolarHBondContact OG1-O 3.42Å; T482-T499 PolarHBondContact OG1-OG1 3.2Å |
| 483 | I | 87.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 110.6 | 176 | -57.5 | 177.7 | 0 | 0 | 0 | 107.4 | Y53 P374 L383 T395 V396 M398 E496 S497 F498 | Y53-I483 HydrophobicContact CE1-CG2 4.48Å; P374-I483 HydrophobicContact CG-CD1 4.3Å; L383-I483 HydrophobicContact CD1-CD1 4.16Å; T395-I483 CarbonylContact C-O 3.36Å; T395-I483 WeakPolarHBondContact CA-O 3.4Å; V396-I483 PolarHBondContact N-O 3.15Å; V396-I483 PolarHBondContact O-N 2.81Å; M398-I483 HydrophobicContact CE-CD1 3.25Å; M398-I483 HydrophobicContact CE-CG1 4.1Å; I483-E496 HydrophobicContact CG2-CB 3.76Å; I483-E496 HydrophobicContact CG2-CG 4.16Å; I483-S497 WeakPolarHBondContact CA-O 3.47Å; I483-F498 HydrophobicContact CD1-CD2 4.49Å; I483-F498 HydrophobicContact CG1-CD2 3.84Å |
| 484 | S | 83.4 | Confident | 76.3 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.8 | 178.7 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | E63 T395 E496 S497 | E63-S484 WeakPolarHBondContact OE2-CB 3.38Å; E63-S484 PolarHBondContact OE2-OG 3.43Å; T395-S484 WeakPolarHBondContact CG2-OG 3.38Å; T395-S484 PolarHBondContact OG1-OG 3.21Å; S484-E496 CarbonylContact O-C 3.5Å; S484-E496 WeakPolarHBondContact O-CA 3.49Å; S484-E496 WeakPolarHBondContact O-CB 3.43Å; S484-S497 WeakPolarHBondContact CB-OG 3.29Å; S484-S497 PolarHBondContact N-O 3.28Å; S484-S497 PolarHBondContact O-N 3.26Å; S484-S497 PolarHBondContact O-OG 3.26Å |
| 485 | P | 81.9 | Confident | 77.7 | Confident | 24 Ų | 24 | 27.5 Ų | 27.5 | 16% | 0.156 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 151.4 | 170.8 | 28.5 | -33.7 | 0 | 0 | 0 | 109.9 | G394 L487 L494 T495 | G394-P485 WeakPolarHBondContact O-CD 3.16Å; P485-L487 PolarHBondContact O-N 3.18Å; P485-L487 VanDerWaalsContact O-N 3.11Å; P485-L494 HydrophobicContact CB-CD1 4.01Å; P485-T495 CarbonylContact C-O 3.05Å |
| 486 | D | 76.5 | Confident | 78.9 | Confident | 44 Ų | 44 | 24.9 Ų | 24.9 | 24% | 0.235 | 13% | 0.133 | C | C | . | . | trans | -54.9 | 122.7 | 169 | 179.4 | 20.4 | 0 | 0 | 0 | 108.9 | Y488 T491 T495 | D486-Y488 PolarHBondContact O-N 2.84Å; D486-Y488 PolarHBondContact OD1-N 3.45Å; D486-T491 WeakPolarHBondContact OD2-CG2 3.19Å; D486-T491 PolarHBondContact OD2-OG1 3.23Å; D486-T495 WeakPolarHBondContact CB-OG1 3.48Å; D486-T495 PolarHBondContact N-O 3.36Å | ||
| 487 | L | 72.9 | Confident | 79.5 | Confident | 19 Ų | 19 | 23.8 Ų | 23.8 | 10% | 0.099 | 13% | 0.127 | C | C | . | . | trans | -77.6 | -10.2 | -171.1 | -66.1 | 173.7 | 0 | 0 | 0 | 110.9 | P485 P489 V561 P589 F649 | P485-L487 PolarHBondContact O-N 3.18Å; P485-L487 VanDerWaalsContact O-N 3.11Å; L487-P489 WeakPolarHBondContact O-CD 3.1Å; L487-V561 HydrophobicContact CB-CG2 3.88Å; L487-V561 WeakPolarHBondContact O-CB 3.34Å; L487-V561 WeakPolarHBondContact O-CG2 3.34Å; L487-P589 HydrophobicContact CB-CG 4.49Å; L487-P589 HydrophobicContact CD1-CG 3.43Å; L487-P589 VanDerWaalsContact CD1-CG 3.43Å; L487-F649 HydrophobicContact CB-CE1 3.66Å; L487-F649 HydrophobicContact CB-CZ 4.08Å | ||
| 488 | Y | 77.1 | Confident | 79.8 | Confident | 60 Ų | 60 | 24.2 Ų | 24.2 | 24% | 0.235 | 12% | 0.124 | C | C | . | . | trans | -69.3 | 118 | 174.1 | -173.6 | -120.8 | 0 | 0 | 0 | 111.3 | D486 W490 T491 F649 E653 | D486-Y488 PolarHBondContact O-N 2.84Å; D486-Y488 PolarHBondContact OD1-N 3.45Å; Y488-W490 HydrophobicContact CD1-CB 4.19Å; Y488-W490 HydrophobicContact CE1-CB 3.59Å; Y488-W490 HydrophobicContact CE1-CG 4.31Å; Y488-W490 AromaticContact CE2-CD1 3.68Å; Y488-W490 AromaticContact CZ-CD1 3.53Å; Y488-W490 PolarHBondContact O-N 2.8Å; Y488-W490 VanDerWaalsContact O-N 3.09Å; Y488-T491 WeakPolarHBondContact CD1-OG1 3.49Å; Y488-T491 PolarHBondContact O-N 3.16Å; Y488-T491 PolarHBondContact O-OG1 3.42Å; Y488-F649 VanDerWaalsContact CD2-O 3.31Å; Y488-F649 WeakPolarHBondContact CD2-O 3.22Å; Y488-F649 WeakPolarHBondContact CE2-O 3.46Å; Y488-E653 HydrophobicContact CE2-CG 4.45Å | ||
| 489 | P | 69.7 | Low | 79.6 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.4 | -169.6 | 23.1 | -31.2 | 0 | 0 | 0 | 114.8 | L487 P559 L562 | L487-P489 WeakPolarHBondContact O-CD 3.1Å; P489-P559 HydrophobicContact CB-CB 4.24Å; P489-P559 HydrophobicContact CB-CG 3.95Å; P489-L562 HydrophobicContact CB-CD1 4.05Å; P489-L562 HydrophobicContact CB-CD2 4.13Å; P489-L562 HydrophobicContact CB-CG 3.98Å; P489-L562 HydrophobicContact CG-CD2 3.7Å; P489-L562 HydrophobicContact CG-CG 4.03Å |
| 490 | W | 76.6 | Confident | 79.2 | Confident | 46 Ų | 46 | 28 Ų | 28 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 7.6 | -175.4 | -49.2 | 106.2 | 0 | 0 | 0 | 113.6 | M1 R25 Y488 L492 | M1-W490 VanDerWaalsContact CE-O 3.22Å; M1-W490 WeakPolarHBondContact CE-O 3.47Å; R25-W490 HydrophobicContact CG-CH2 3.58Å; R25-W490 HydrophobicContact CG-CZ2 3.66Å; R25-W490 VanDerWaalsContact O-CH2 3.27Å; R25-W490 WeakPolarHBondContact O-CH2 3.23Å; Y488-W490 HydrophobicContact CD1-CB 4.19Å; Y488-W490 HydrophobicContact CE1-CB 3.59Å; Y488-W490 HydrophobicContact CE1-CG 4.31Å; Y488-W490 AromaticContact CE2-CD1 3.68Å; Y488-W490 AromaticContact CZ-CD1 3.53Å; Y488-W490 PolarHBondContact O-N 2.8Å; Y488-W490 VanDerWaalsContact O-N 3.09Å; W490-L492 PolarHBondContact O-N 3.02Å |
| 491 | T | 75.9 | Confident | 78.2 | Confident | 30 Ų | 30 | 28.7 Ų | 28.7 | 18% | 0.184 | 15% | 0.153 | C | C | . | . | trans | -62.7 | 132.9 | 178.8 | -46.8 | 0 | 0 | 0 | 0 | 110.2 | D486 Y488 N493 T495 | D486-T491 WeakPolarHBondContact OD2-CG2 3.19Å; D486-T491 PolarHBondContact OD2-OG1 3.23Å; Y488-T491 WeakPolarHBondContact CD1-OG1 3.49Å; Y488-T491 PolarHBondContact O-N 3.16Å; Y488-T491 PolarHBondContact O-OG1 3.42Å; T491-N493 WeakPolarHBondContact CG2-O 3.36Å; T491-T495 HydrophobicContact CG2-CG2 4.41Å | ||
| 492 | L | 73.9 | Confident | 77.3 | Confident | 92 Ų | 92 | 33.5 Ų | 33.5 | 48% | 0.482 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -71.4 | -43.2 | -169.1 | -118.1 | 133.7 | 0 | 0 | 0 | 112.1 | M1 R30 W490 | M1-L492 HydrophobicContact CE-CD1 3.75Å; M1-L492 HydrophobicContact CE-CG 3.78Å; M1-L492 HydrophobicContact CG-CD1 4.29Å; R30-L492 PolarHBondContact NH1-O 3.42Å; W490-L492 PolarHBondContact O-N 3.02Å |
| 493 | N | 77.9 | Confident | 76.2 | Confident | 70 Ų | 70 | 36.9 Ų | 36.9 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -120.7 | 154.7 | -178.5 | -60.5 | -7.1 | 0 | 0 | 0 | 109 | T491 T495 | T491-N493 WeakPolarHBondContact CG2-O 3.36Å; N493-T495 PolarHBondContact O-N 3.19Å |
| 494 | L | 81.2 | Confident | 75.3 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | trans | -62.8 | 108 | 173.5 | -174.4 | 70.9 | 0 | 0 | 0 | 110.6 | L32 T35 L36 R371 P485 E496 | L32-L494 HydrophobicContact CD1-CD1 4Å; L32-L494 HydrophobicContact CD1-CD2 4.26Å; T35-L494 PolarHBondContact O-N 2.91Å; L36-L494 HydrophobicContact CD2-CB 4.11Å; L36-L494 HydrophobicContact CD2-CD2 3.55Å; L36-L494 HydrophobicContact CD2-CG 4.46Å; L36-L494 HydrophobicContact CG-CD2 4.34Å; R371-L494 PolarHBondContact NH1-O 2.96Å; R371-L494 PolarHBondContact NH2-O 2.9Å; P485-L494 HydrophobicContact CB-CD1 4.01Å; L494-E496 HydrophobicContact CD1-CG 4.42Å; L494-E496 HydrophobicContact CG-CG 4.14Å | ||
| 495 | T | 82.2 | Confident | 74.1 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | trans | -111 | 145.2 | 169 | 57.8 | 0 | 0 | 0 | 0 | 108 | L51 P485 D486 T491 N493 | L51-T495 WeakPolarHBondContact O-CG2 3.24Å; P485-T495 CarbonylContact C-O 3.05Å; D486-T495 WeakPolarHBondContact CB-OG1 3.48Å; D486-T495 PolarHBondContact N-O 3.36Å; T491-T495 HydrophobicContact CG2-CG2 4.41Å; N493-T495 PolarHBondContact O-N 3.19Å | ||
| 496 | E | 83.4 | Confident | 73.2 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.3 | -172.4 | -64 | 171.6 | 129.8 | 0 | 0 | 111 | D52 Y53 P54 R358 R371 I483 S484 L494 | D52-E496 PolarHBondContact O-N 2.89Å; Y53-E496 WeakPolarHBondContact CA-O 3.3Å; Y53-E496 HydrophobicContact CD1-CB 4.05Å; Y53-E496 HydrophobicContact CE1-CB 3.93Å; Y53-E496 VanDerWaalsContact CE1-OE2 3.28Å; Y53-E496 WeakPolarHBondContact CE1-OE2 3.23Å; Y53-E496 PolarHBondContact OH-OE2 2.99Å; P54-E496 WeakPolarHBondContact CD-O 3.47Å; R358-E496 IonicContact CZ-OE1 2.71Å; R358-E496 IonicContact CZ-OE2 2.73Å; R358-E496 IonicContact NH1-OE1 2.67Å; R358-E496 PolarHBondContact NH1-OE1 2.87Å; R358-E496 IonicContact NH1-OE2 3.88Å; R358-E496 IonicContact NH2-OE1 2.7Å; R358-E496 PolarHBondContact NH2-OE1 2.91Å; R358-E496 IonicContact NH2-OE2 2.78Å; R358-E496 PolarHBondContact NH2-OE2 3.31Å; R371-E496 IonicContact CZ-OE2 2.76Å; R371-E496 VanDerWaalsContact CZ-OE2 3.3Å; R371-E496 IonicContact NE-OE2 3.78Å; R371-E496 PolarHBondContact NE-OE2 3.04Å; R371-E496 IonicContact NH2-OE2 3.92Å; R371-E496 PolarHBondContact NH2-OE2 3.36Å; I483-E496 HydrophobicContact CG2-CB 3.76Å; I483-E496 HydrophobicContact CG2-CG 4.16Å; S484-E496 CarbonylContact O-C 3.5Å; S484-E496 WeakPolarHBondContact O-CA 3.49Å; S484-E496 WeakPolarHBondContact O-CB 3.43Å; L494-E496 HydrophobicContact CD1-CG 4.42Å; L494-E496 HydrophobicContact CG-CG 4.14Å |
| 497 | S | 78.7 | Confident | 73 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 140.7 | 165 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | E63 I483 S484 | E63-S497 PolarHBondContact OE1-OG 3.27Å; I483-S497 WeakPolarHBondContact CA-O 3.47Å; S484-S497 WeakPolarHBondContact CB-OG 3.29Å; S484-S497 PolarHBondContact N-O 3.28Å; S484-S497 PolarHBondContact O-N 3.26Å; S484-S497 PolarHBondContact O-OG 3.26Å |
| 498 | F | 78 | Confident | 73.4 | Confident | 50 Ų | 50 | 37.1 Ų | 37.1 | 22% | 0.219 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.5 | 177.4 | 166.8 | -107.3 | 0 | 0 | 0 | 109.3 | P374 L383 Y481 T482 I483 T500 | P374-F498 HydrophobicContact CB-CB 4.47Å; P374-F498 HydrophobicContact CB-CD1 4.22Å; P374-F498 HydrophobicContact CB-CD2 4.44Å; P374-F498 HydrophobicContact CB-CG 4.14Å; P374-F498 HydrophobicContact CG-CB 4.12Å; P374-F498 HydrophobicContact CG-CD1 4.07Å; P374-F498 HydrophobicContact CG-CD2 3.46Å; P374-F498 VanDerWaalsContact CG-CD2 3.46Å; P374-F498 HydrophobicContact CG-CE1 4.3Å; P374-F498 HydrophobicContact CG-CE2 3.67Å; P374-F498 HydrophobicContact CG-CG 3.62Å; P374-F498 HydrophobicContact CG-CZ 4.08Å; L383-F498 HydrophobicContact CD2-CE2 3.68Å; L383-F498 HydrophobicContact CD2-CZ 3.75Å; Y481-F498 AromaticContact CD1-CE2 3.27Å; Y481-F498 HydrophobicContact CD1-CE2 3.27Å; Y481-F498 AromaticContact CD1-CZ 3.3Å; Y481-F498 HydrophobicContact CD1-CZ 3.3Å; Y481-F498 HydrophobicContact CE1-CE2 4.01Å; Y481-F498 AromaticContact CE1-CZ 3.56Å; Y481-F498 HydrophobicContact CE1-CZ 3.56Å; Y481-F498 HydrophobicContact CG-CE2 4.01Å; Y481-F498 HydrophobicContact CG-CZ 4.41Å; T482-F498 WeakPolarHBondContact O-CA 2.87Å; I483-F498 HydrophobicContact CD1-CD2 4.49Å; I483-F498 HydrophobicContact CG1-CD2 3.84Å; F498-T500 HydrophobicContact CE1-CG2 3.97Å; F498-T500 HydrophobicContact CE2-CG2 4.47Å; F498-T500 HydrophobicContact CZ-CG2 3.74Å |
| 499 | T | 76.1 | Confident | 73.7 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 14% | 0.135 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.6 | 175.8 | 86.6 | 0 | 0 | 0 | 0 | 112.3 | T482 | T482-T499 PolarHBondContact N-O 3.07Å; T482-T499 PolarHBondContact O-N 3.45Å; T482-T499 PolarHBondContact OG1-O 3.42Å; T482-T499 PolarHBondContact OG1-OG1 3.2Å |
| 500 | T | 73 | Confident | 74.5 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 40% | 0.399 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 101.1 | 173.7 | 55.3 | 0 | 0 | 0 | 0 | 108.3 | P377 Y481 F498 | P377-T500 HydrophobicContact CG-CG2 4.22Å; Y481-T500 HydrophobicContact CD1-CG2 3.48Å; Y481-T500 VanDerWaalsContact CD1-CG2 3.48Å; Y481-T500 HydrophobicContact CE1-CG2 3.39Å; F498-T500 HydrophobicContact CE1-CG2 3.97Å; F498-T500 HydrophobicContact CE2-CG2 4.47Å; F498-T500 HydrophobicContact CZ-CG2 3.74Å |
| 501 | S | 65.8 | Low | 75.1 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -28.6 | -167 | 53.8 | 0 | 0 | 0 | 0 | 114 | ||
| 502 | W | 65.3 | Low | 75.7 | Confident | 100 Ų | 100 | 38.7 Ų | 38.7 | 38% | 0.379 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 141.5 | -169.1 | -79 | 81.5 | 0 | 0 | 0 | 114.6 | A66 V479 I480 F584 | A66-W502 HydrophobicContact CB-CH2 3.51Å; A66-W502 HydrophobicContact CB-CZ2 3.34Å; A66-W502 HydrophobicContact CB-CZ3 4.25Å; V479-W502 WeakPolarHBondContact CA-O 3.25Å; I480-W502 HydrophobicContact CB-CB 4.37Å; I480-W502 HydrophobicContact CD1-CB 4.01Å; I480-W502 HydrophobicContact CG1-CB 4.27Å; I480-W502 PolarHBondContact N-O 3.4Å; W502-F584 AromaticContact CD1-CE1 3.96Å; W502-F584 AromaticContact CD2-CE1 3.95Å; W502-F584 HydrophobicContact CD2-CE1 3.95Å; W502-F584 HydrophobicContact CD2-CZ 4.49Å; W502-F584 HydrophobicContact CE3-CE1 4.49Å; W502-F584 AromaticContact CG-CE1 3.92Å; W502-F584 HydrophobicContact CG-CE1 3.92Å; W502-F584 HydrophobicContact CG-CZ 4.4Å |
| 503 | C | 63.9 | Low | 76.3 | Confident | 72 Ų | 72 | 36.2 Ų | 36.2 | 49% | 0.486 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.5 | 168.1 | -147.7 | 0 | 0 | 0 | 0 | 107.7 | H478 | H478-C503 CarbonylContact O-C 3.58Å; H478-C503 VanDerWaalsContact O-CA 3.3Å; H478-C503 WeakPolarHBondContact O-CA 3.28Å |
| 504 | V | 67.1 | Low | 76.5 | Confident | 14 Ų | 14 | 33 Ų | 33 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.2 | -178.9 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | H478 I480 L575 | H478-V504 PolarHBondContact N-O 3.02Å; H478-V504 PolarHBondContact O-N 3.23Å; I480-V504 HydrophobicContact CD1-CG2 4.08Å; I480-V504 HydrophobicContact CG1-CG2 4.43Å; V504-L575 HydrophobicContact CB-CD2 4.48Å; V504-L575 HydrophobicContact CG1-CD2 4.31Å; V504-L575 HydrophobicContact CG2-CD2 3.7Å |
| 505 | D | 60.2 | Low | 76 | Confident | 64 Ų | 64 | 33.8 Ų | 33.8 | 34% | 0.342 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 135 | 173 | -68.2 | -31.7 | 0 | 0 | 0 | 109.4 | F444 | F444-D505 VanDerWaalsContact CB-OD2 3.3Å; F444-D505 WeakPolarHBondContact CB-OD2 3.41Å; F444-D505 HydrophobicContact CD2-CB 4.26Å; F444-D505 WeakPolarHBondContact CD2-OD2 3.32Å |
| 506 | G | 61.1 | Low | 74.8 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | A578 | G506-A578 WeakPolarHBondContact O-CB 3.32Š|
| 507 | G | 73.5 | Confident | 72.9 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | trans | 80.6 | 124.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H478 W509 S577 A578 | H478-G507 VanDerWaalsContact CD2-CA 3.45Å; H478-G507 WeakPolarHBondContact CD2-CA 3.43Å; G507-W509 PolarHBondContact O-NE1 3.49Å; G507-S577 WeakPolarHBondContact O-CA 3.41Å; G507-S577 WeakPolarHBondContact O-CB 3.23Å; G507-A578 PolarHBondContact O-N 2.85Å | ||
| 508 | A | 81.8 | Confident | 71.1 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | L388 V399 L575 | L388-A508 HydrophobicContact CD1-CB 3.88Å; V399-A508 HydrophobicContact CB-CB 4.49Å; V399-A508 HydrophobicContact CG1-CB 3.7Å; A508-L575 HydrophobicContact CB-CD1 3.72Å |
| 509 | W | 81.6 | Confident | 68.9 | Low | 96 Ų | 96 | 41.2 Ų | 41.2 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -40.5 | -175.8 | -66.4 | 20.6 | 0 | 0 | 0 | 111.2 | F80 M89 G507 I576 A578 | F80-W509 HydrophobicContact CE1-CH2 4.33Å; F80-W509 HydrophobicContact CZ-CH2 4.44Å; M89-W509 HydrophobicContact CB-CE3 4.47Å; M89-W509 HydrophobicContact CE-CB 4.45Å; M89-W509 HydrophobicContact CE-CD2 3.66Å; M89-W509 HydrophobicContact CE-CE3 2.92Å; M89-W509 HydrophobicContact CE-CG 4.37Å; M89-W509 HydrophobicContact CE-CH2 4.11Å; M89-W509 HydrophobicContact CE-CZ3 3.17Å; M89-W509 HydrophobicContact CG-CB 3.86Å; M89-W509 HydrophobicContact CG-CD2 4.39Å; M89-W509 HydrophobicContact CG-CE3 3.66Å; M89-W509 HydrophobicContact SD-CB 3.22Å; M89-W509 WeakPolarHBondContact SD-CB 3.25Å; M89-W509 HydrophobicContact SD-CD2 3.62Å; M89-W509 HydrophobicContact SD-CE3 3.25Å; M89-W509 HydrophobicContact SD-CG 3.72Å; M89-W509 HydrophobicContact SD-CZ3 4.13Å; G507-W509 PolarHBondContact O-NE1 3.49Å; W509-I576 PolarHBondContact N-O 2.84Å; W509-A578 HydrophobicContact CZ2-CB 3.69Å |
| 510 | A | 86.6 | Confident | 66.6 | Low | 17 Ų | 17 | 44.4 Ų | 44.4 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L575 I576 | A510-L575 WeakPolarHBondContact O-CA 3.36Å; A510-L575 VanDerWaalsContact O-CD1 3.29Å; A510-L575 WeakPolarHBondContact O-CD1 3.45Å; A510-I576 HydrophobicContact CB-CB 4.36Å; A510-I576 HydrophobicContact CB-CD1 4.19Å; A510-I576 HydrophobicContact CB-CG1 4.45Å; A510-I576 PolarHBondContact N-O 2.9Å; A510-I576 PolarHBondContact O-N 3.41Å |
| 511 | L | 89.2 | Confident | 64.5 | Low | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.6 | 174 | 176.4 | 65 | 0 | 0 | 0 | 107.8 | L388 V390 I397 V399 L574 L575 | L388-L511 HydrophobicContact CB-CB 4.37Å; L388-L511 HydrophobicContact CD1-CB 4.23Å; V390-L511 HydrophobicContact CB-CD2 4.43Å; V390-L511 HydrophobicContact CG1-CB 4.31Å; V390-L511 HydrophobicContact CG1-CD2 4.12Å; V390-L511 HydrophobicContact CG1-CG 3.88Å; V390-L511 VanDerWaalsContact CG1-O 3.29Å; V390-L511 WeakPolarHBondContact CG1-O 3.45Å; V390-L511 HydrophobicContact CG2-CD2 3.58Å; V390-L511 HydrophobicContact CG2-CG 3.8Å; I397-L511 HydrophobicContact CB-CD2 4.44Å; I397-L511 HydrophobicContact CG2-CD2 3.95Å; V399-L511 HydrophobicContact CG2-CD2 3.9Å; L511-L574 WeakPolarHBondContact CA-O 3.27Å; L511-L575 HydrophobicContact CB-CD1 4.14Å; L511-L575 HydrophobicContact CD1-CB 4.32Å; L511-L575 HydrophobicContact CD1-CD1 4.18Å |
| 512 | T | 89.3 | Confident | 62.7 | Low | 37 Ų | 37 | 47.2 Ų | 47.2 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 153.9 | 177.1 | -166.4 | 0 | 0 | 0 | 0 | 112 | V91 T93 L514 L573 L574 | V91-T512 HydrophobicContact CB-CG2 3.84Å; V91-T512 HydrophobicContact CG1-CG2 3.94Å; V91-T512 HydrophobicContact CG2-CG2 3.83Å; T93-T512 HydrophobicContact CG2-CG2 4.19Å; T512-L514 HydrophobicContact CG2-CD2 4.33Å; T512-L573 WeakPolarHBondContact O-CA 3.32Å; T512-L574 HydrophobicContact CG2-CB 3.94Å; T512-L574 PolarHBondContact N-O 3.23Å; T512-L574 PolarHBondContact O-N 2.88Å |
| 513 | V | 86.5 | Confident | 60.9 | Low | 40 Ų | 40 | 46.4 Ų | 46.4 | 24% | 0.242 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.4 | 169.6 | -175.9 | 0 | 0 | 0 | 0 | 106.6 | V390 T392 L573 | V390-V513 HydrophobicContact CB-CG2 4.17Å; V390-V513 HydrophobicContact CG2-CG2 4.1Å; T392-V513 HydrophobicContact CG2-CG2 4.45Å; V513-L573 HydrophobicContact CB-CD2 4.42Å; V513-L573 HydrophobicContact CG2-CD2 3.76Å |
| 514 | L | 83.3 | Confident | 59.1 | Low | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.5 | 175.5 | -65.6 | 176.6 | 0 | 0 | 0 | 109.1 | T93 F111 T512 R572 L574 | T93-L514 HydrophobicContact CG2-CD2 4.05Å; F111-L514 HydrophobicContact CD2-CD1 4.39Å; F111-L514 HydrophobicContact CE1-CD2 3.9Å; F111-L514 HydrophobicContact CE2-CD1 3.91Å; F111-L514 HydrophobicContact CE2-CD2 3.99Å; F111-L514 HydrophobicContact CZ-CD1 4.36Å; F111-L514 HydrophobicContact CZ-CD2 3.65Å; T512-L514 HydrophobicContact CG2-CD2 4.33Å; L514-R572 HydrophobicContact CB-CB 3.96Å; L514-R572 HydrophobicContact CD1-CB 4.07Å; L514-R572 HydrophobicContact CG-CB 4.5Å; L514-R572 PolarHBondContact N-O 3.44Å; L514-L574 HydrophobicContact CD1-CB 4.3Å; L514-L574 HydrophobicContact CD1-CD1 4.19Å; L514-L574 HydrophobicContact CD2-CB 4.24Å; L514-L574 HydrophobicContact CG-CB 4.18Å |
| 515 | P | 69.2 | Low | 57.2 | Low | 30 Ų | 30 | 47.3 Ų | 47.3 | 20% | 0.195 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 144.5 | 168.1 | 27.4 | -32 | 0 | 0 | 0 | 108.9 | N517 F520 | P515-N517 PolarHBondContact O-N 2.68Å; P515-N517 VanDerWaalsContact O-N 3.14Å; P515-N517 PolarHBondContact O-OD1 3.09Å; P515-N517 VanDerWaalsContact O-OD1 3.12Å; P515-F520 HydrophobicContact CB-CE2 4.41Å; P515-F520 HydrophobicContact CG-CE2 4.33Å |
| 516 | D | 57.7 | Low | 55.7 | Low | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 117.2 | -174.4 | -58.2 | -65.5 | 0 | 0 | 0 | 111.1 | Q518 L528 P568 | D516-Q518 PolarHBondContact O-N 2.73Å; D516-L528 HydrophobicContact CB-CD1 3.66Å; D516-L528 HydrophobicContact CB-CD2 3.9Å; D516-L528 HydrophobicContact CB-CG 4.39Å; D516-L528 WeakPolarHBondContact OD2-CD2 3.41Å; D516-P568 HydrophobicContact CB-CB 4.39Å; D516-P568 HydrophobicContact CB-CG 3.92Å; D516-P568 WeakPolarHBondContact OD2-CG 3.49Å |
| 517 | N | 42.4 | Very low | 54.2 | Low | 58 Ų | 58 | 54.7 Ų | 54.7 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 39.9 | -171.5 | -77 | 13.5 | 0 | 0 | 0 | 116.2 | E112 P515 R572 | E112-N517 PolarHBondContact OE1-ND2 3.47Å; P515-N517 PolarHBondContact O-N 2.68Å; P515-N517 VanDerWaalsContact O-N 3.14Å; P515-N517 PolarHBondContact O-OD1 3.09Å; P515-N517 VanDerWaalsContact O-OD1 3.12Å; N517-R572 PolarHBondContact ND2-NH1 3.28Å |
| 518 | Q | 41.3 | Very low | 52.1 | Low | 122 Ų | 122 | 57.1 Ų | 57.1 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 0.3 | 167.5 | -76.6 | -163.8 | -7.5 | 0 | 0 | 114.3 | D516 N787 | D516-Q518 PolarHBondContact O-N 2.73Å; Q518-N787 PolarHBondContact NE2-O 3.42Å; Q518-N787 PolarHBondContact OE1-O 3.28Å |
| 519 | S | 33.3 | Very low | 49.7 | Very low | 41 Ų | 41 | 57.3 Ų | 57.3 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | trans | -152.9 | 58.8 | -176 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 520 | F | 27.3 | Very low | 47.3 | Very low | 89 Ų | 89 | 53.1 Ų | 53.1 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | trans | -121.6 | 62.4 | 162 | -100.5 | -86.7 | 0 | 0 | 0 | 110.4 | L94 P515 | L94-F520 HydrophobicContact CD2-CE1 3.75Å; L94-F520 HydrophobicContact CD2-CE2 4.4Å; L94-F520 HydrophobicContact CD2-CZ 3.38Å; P515-F520 HydrophobicContact CB-CE2 4.41Å; P515-F520 HydrophobicContact CG-CE2 4.33Å | ||
| 521 | G | 27.7 | Very low | 44.8 | Very low | 59 Ų | 59 | 54.4 Ų | 54.4 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -130.9 | 104.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||
| 522 | D | 28.1 | Very low | 42 | Very low | 82 Ų | 82 | 56.9 Ų | 56.9 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 65.5 | 68.3 | 173.1 | -56.1 | -40.2 | 0 | 0 | 0 | 118 | K145 I777 | K145-D522 IonicContact NZ-OD1 3.84Å; D522-I777 WeakPolarHBondContact OD2-CD1 3.29Å |
| 523 | S | 27.9 | Very low | 39.3 | Very low | 83 Ų | 83 | 57.5 Ų | 57.5 | 58% | 0.58 | 34% | 0.343 | S | S | * | . | -170.3 | 133.2 | 129.8 | 46.3 | 0 | 0 | 0 | 0 | 112 | G525 | S523-G525 PolarHBondContact O-N 3.04Š| |||
| 524 | V | 26.9 | Very low | 36.8 | Very low | 84 Ų | 84 | 59 Ų | 59 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | trans | -53.4 | 121.5 | 172.3 | 160.6 | 0 | 0 | 0 | 0 | 110.9 | V134 | V134-V524 HydrophobicContact CB-CG1 4.44Å; V134-V524 HydrophobicContact CG1-CB 4.16Å; V134-V524 HydrophobicContact CG1-CG1 3.5Å; V134-V524 HydrophobicContact CG1-CG2 3.62Å | ||
| 525 | G | 27.3 | Very low | 34.6 | Very low | 21 Ų | 21 | 60.7 Ų | 60.7 | 22% | 0.216 | 36% | 0.356 | C | S | . | . | trans | 51.2 | 92.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S523 | S523-G525 PolarHBondContact O-N 3.04Š| ||
| 526 | N | 27.8 | Very low | 32.9 | Very low | 101 Ų | 101 | 64.1 Ų | 64.1 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | trans | -165 | 123 | 139 | -93.6 | -38.1 | 0 | 0 | 0 | 111.1 | R791 | N526-R791 PolarHBondContact O-NH1 2.61Š| ||
| 527 | D | 30.5 | Very low | 31.7 | Very low | 122 Ų | 122 | 69.8 Ų | 69.8 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | trans | -42 | 158.7 | 171.8 | -66.8 | -44.9 | 0 | 0 | 0 | 113.4 | G529 G530 R791 | D527-G529 PolarHBondContact O-N 2.84Å; D527-G530 PolarHBondContact O-N 3.45Å; D527-R791 PolarHBondContact O-NH2 3.23Å | ||
| 528 | L | 29 | Very low | 31.4 | Very low | 54 Ų | 54 | 70.1 Ų | 70.1 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -7.1 | -172.7 | -119.2 | 87 | 0 | 0 | 0 | 115.6 | D516 G530 P568 R791 | D516-L528 HydrophobicContact CB-CD1 3.66Å; D516-L528 HydrophobicContact CB-CD2 3.9Å; D516-L528 HydrophobicContact CB-CG 4.39Å; D516-L528 WeakPolarHBondContact OD2-CD2 3.41Å; L528-G530 VanDerWaalsContact C-N 3.34Å; L528-G530 PolarHBondContact O-N 3.06Å; L528-P568 HydrophobicContact CD2-CG 4.01Å; L528-R791 PolarHBondContact O-NH2 2.83Å |
| 529 | G | 30.9 | Very low | 31 | Very low | 15 Ų | 15 | 67.2 Ų | 67.2 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -6.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | D527 Y531 L532 A533 E557 | D527-G529 PolarHBondContact O-N 2.84Å; G529-Y531 PolarHBondContact O-N 2.85Å; G529-L532 PolarHBondContact O-N 3.38Å; G529-A533 WeakPolarHBondContact O-CB 3.41Å; G529-A533 PolarHBondContact O-N 2.93Å; G529-E557 VanDerWaalsContact CA-OE1 3.27Å; G529-E557 WeakPolarHBondContact CA-OE1 3.45Å |
| 530 | G | 31.2 | Very low | 31 | Very low | 8 Ų | 8 | 68.6 Ų | 68.6 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -53 | -33.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | D527 L528 L532 A533 I534 R791 | D527-G530 PolarHBondContact O-N 3.45Å; L528-G530 VanDerWaalsContact C-N 3.34Å; L528-G530 PolarHBondContact O-N 3.06Å; G530-L532 PolarHBondContact O-N 2.81Å; G530-A533 PolarHBondContact O-N 2.86Å; G530-I534 WeakPolarHBondContact O-CB 3.47Å; G530-I534 WeakPolarHBondContact O-CD1 3.41Å; G530-I534 WeakPolarHBondContact O-CG1 3.24Å; G530-I534 PolarHBondContact O-N 2.82Å; G530-R791 VanDerWaalsContact CA-NH2 3.32Å |
| 531 | Y | 33.9 | Very low | 31.2 | Very low | 44 Ų | 44 | 72.1 Ų | 72.1 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.7 | -37.3 | -179.9 | -131.2 | -101.4 | 0 | 0 | 0 | 112.2 | G529 E535 L790 R791 R824 L825 | G529-Y531 PolarHBondContact O-N 2.85Å; Y531-E535 WeakPolarHBondContact O-CG 3.24Å; Y531-L790 HydrophobicContact CD1-CB 4.36Å; Y531-L790 WeakPolarHBondContact CD2-O 3.26Å; Y531-L790 HydrophobicContact CE1-CB 4.16Å; Y531-L790 HydrophobicContact CE2-CB 4.33Å; Y531-L790 WeakPolarHBondContact CE2-O 3.39Å; Y531-L790 HydrophobicContact CG-CB 4.5Å; Y531-R791 HydrophobicContact CD2-CG 4.17Å; Y531-R824 PolarHBondContact OH-O 2.88Å; Y531-L825 VanDerWaalsContact OH-CD2 3.32Å; Y531-L825 WeakPolarHBondContact OH-CD2 3.28Å |
| 532 | L | 31.8 | Very low | 31.4 | Very low | 75 Ų | 75 | 73.8 Ų | 73.8 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -81.8 | -30.9 | 175.8 | -83.3 | 151.9 | 0 | 0 | 0 | 113 | G529 G530 K536 | G529-L532 PolarHBondContact O-N 3.38Å; G530-L532 PolarHBondContact O-N 2.81Å; L532-K536 PolarHBondContact O-N 2.78Å |
| 533 | A | 31.7 | Very low | 31.4 | Very low | 50 Ų | 50 | 77.2 Ų | 77.2 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -78.5 | -34.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G529 G530 K536 R537 | G529-A533 WeakPolarHBondContact O-CB 3.41Å; G529-A533 PolarHBondContact O-N 2.93Å; G530-A533 PolarHBondContact O-N 2.86Å; A533-K536 PolarHBondContact O-N 3.14Å; A533-R537 PolarHBondContact O-N 2.8Å |
| 534 | I | 33.6 | Very low | 31.3 | Very low | 70 Ų | 70 | 78.4 Ų | 78.4 | 36% | 0.359 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.3 | -39.6 | 175.5 | -69.6 | 168.4 | 0 | 0 | 0 | 110.1 | G530 K536 R537 I538 | G530-I534 WeakPolarHBondContact O-CB 3.47Å; G530-I534 WeakPolarHBondContact O-CD1 3.41Å; G530-I534 WeakPolarHBondContact O-CG1 3.24Å; G530-I534 PolarHBondContact O-N 2.82Å; I534-K536 VanDerWaalsContact C-N 3.33Å; I534-K536 PolarHBondContact O-N 2.76Å; I534-R537 PolarHBondContact O-N 2.9Å; I534-I538 HydrophobicContact CG2-CD1 3.35Å; I534-I538 HydrophobicContact CG2-CG1 4.2Å; I534-I538 WeakPolarHBondContact O-CB 3.44Å; I534-I538 WeakPolarHBondContact O-CD1 3.49Å; I534-I538 VanDerWaalsContact O-CG1 3.24Å; I534-I538 WeakPolarHBondContact O-CG1 3.41Å; I534-I538 PolarHBondContact O-N 3.32Å |
| 535 | E | 36.5 | Very low | 31.3 | Very low | 40 Ų | 40 | 79 Ų | 79 | 19% | 0.187 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 170.8 | -77.9 | 179.3 | 169.4 | 0 | 0 | 112.9 | Y531 S539 Y756 R824 | Y531-E535 WeakPolarHBondContact O-CG 3.24Å; E535-S539 WeakPolarHBondContact O-CB 3.49Å; E535-S539 PolarHBondContact O-N 3.35Å; E535-S539 PolarHBondContact O-OG 3.17Å; E535-Y756 HydrophobicContact CB-CE1 4.49Å; E535-Y756 VanDerWaalsContact CD-CZ 3.43Å; E535-Y756 HydrophobicContact CG-CD1 4.47Å; E535-Y756 HydrophobicContact CG-CE1 3.95Å; E535-Y756 VanDerWaalsContact OE1-CD1 3.24Å; E535-Y756 WeakPolarHBondContact OE1-CD1 3.39Å; E535-Y756 WeakPolarHBondContact OE1-CE1 3.5Å; E535-Y756 WeakPolarHBondContact OE2-CE1 3.42Å; E535-Y756 PolarHBondContact OE2-OH 2.84Å; E535-R824 IonicContact OE1-NH1 2.73Å |
| 536 | K | 34.5 | Very low | 31.2 | Very low | 102 Ų | 102 | 86.7 Ų | 86.7 | 44% | 0.443 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 173.1 | -88.1 | -174.3 | -178.6 | 177.5 | 0 | 113 | L532 A533 I534 S539 S540 S553 R555 | L532-K536 PolarHBondContact O-N 2.78Å; A533-K536 PolarHBondContact O-N 3.14Å; I534-K536 VanDerWaalsContact C-N 3.33Å; I534-K536 PolarHBondContact O-N 2.76Å; K536-S539 WeakPolarHBondContact CA-OG 3.5Å; K536-S539 PolarHBondContact O-OG 2.78Å; K536-S540 PolarHBondContact O-N 3.47Å; K536-S553 PolarHBondContact NZ-O 2.97Å; K536-R555 PolarHBondContact NZ-O 2.89Å |
| 537 | R | 32.1 | Very low | 31 | Very low | 146 Ų | 146 | 87.6 Ų | 87.6 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.7 | -42.2 | 174.5 | -81.2 | -174.9 | -173.5 | 169.3 | 2 | 111.6 | A533 I534 S540 F541 | A533-R537 PolarHBondContact O-N 2.8Å; I534-R537 PolarHBondContact O-N 2.9Å; R537-S540 PolarHBondContact O-N 3.38Å; R537-S540 PolarHBondContact O-OG 2.89Å; R537-F541 WeakPolarHBondContact O-CD2 3.43Å; R537-F541 PolarHBondContact O-N 3.47Å |
| 538 | I | 36.6 | Very low | 30.7 | Very low | 65 Ų | 65 | 90.5 Ų | 90.5 | 33% | 0.333 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.7 | -40.4 | -178.3 | -65.7 | 160.2 | 0 | 0 | 0 | 111.5 | I534 S540 F541 Y760 | I534-I538 HydrophobicContact CG2-CD1 3.35Å; I534-I538 HydrophobicContact CG2-CG1 4.2Å; I534-I538 WeakPolarHBondContact O-CB 3.44Å; I534-I538 WeakPolarHBondContact O-CD1 3.49Å; I534-I538 VanDerWaalsContact O-CG1 3.24Å; I534-I538 WeakPolarHBondContact O-CG1 3.41Å; I534-I538 PolarHBondContact O-N 3.32Å; I538-S540 VanDerWaalsContact C-N 3.26Å; I538-S540 PolarHBondContact O-N 3.31Å; I538-F541 PolarHBondContact O-N 3.35Å; I538-F541 VanDerWaalsContact O-N 3.11Å; I538-Y760 HydrophobicContact CD1-CD2 4.45Å; I538-Y760 HydrophobicContact CD1-CE2 3.53Å; I538-Y760 HydrophobicContact CG1-CE2 4.17Å; I538-Y760 HydrophobicContact CG2-CE2 4.08Å |
| 539 | S | 32.6 | Very low | 30.5 | Very low | 60 Ų | 60 | 97.8 Ų | 97.8 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -31.9 | 172.9 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | E535 K536 F541 S542 | E535-S539 WeakPolarHBondContact O-CB 3.49Å; E535-S539 PolarHBondContact O-N 3.35Å; E535-S539 PolarHBondContact O-OG 3.17Å; K536-S539 WeakPolarHBondContact CA-OG 3.5Å; K536-S539 PolarHBondContact O-OG 2.78Å; S539-F541 VanDerWaalsContact C-N 3.27Å; S539-F541 PolarHBondContact O-N 2.86Å; S539-S542 PolarHBondContact O-N 3.41Å |
| 540 | S | 32.4 | Very low | 30.2 | Very low | 70 Ų | 70 | 107.8 Ų | 107.8 | 49% | 0.49 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70 | -18.3 | 174.5 | 74.3 | 0 | 0 | 0 | 0 | 114.5 | K536 R537 I538 | K536-S540 PolarHBondContact O-N 3.47Å; R537-S540 PolarHBondContact O-N 3.38Å; R537-S540 PolarHBondContact O-OG 2.89Å; I538-S540 VanDerWaalsContact C-N 3.26Å; I538-S540 PolarHBondContact O-N 3.31Å |
| 541 | F | 32.8 | Very low | 30.1 | Very low | 163 Ų | 163 | 116.5 Ų | 116.5 | 72% | 0.715 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82.2 | -28.5 | 176.7 | -81.9 | -74.6 | 0 | 0 | 0 | 113.3 | R537 I538 S539 S544 | R537-F541 WeakPolarHBondContact O-CD2 3.43Å; R537-F541 PolarHBondContact O-N 3.47Å; I538-F541 PolarHBondContact O-N 3.35Å; I538-F541 VanDerWaalsContact O-N 3.11Å; S539-F541 VanDerWaalsContact C-N 3.27Å; S539-F541 PolarHBondContact O-N 2.86Å; F541-S544 PolarHBondContact O-OG 3.26Å |
| 542 | S | 31.5 | Very low | 30.2 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -85.1 | -14.4 | 176.6 | 79.3 | 0 | 0 | 0 | 0 | 114.2 | S539 | S539-S542 PolarHBondContact O-N 3.41Å |
| 543 | E | 27 | Very low | 30.6 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 16.7 | 179.2 | -79.8 | -171.3 | 159.9 | 0 | 0 | 114.3 | S545 | E543-S545 PolarHBondContact O-N 3.48Š|
| 544 | S | 26.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 10.2 | 176 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | F541 | F541-S544 PolarHBondContact O-OG 3.26Š|
| 545 | S | 27.2 | Very low | 32.7 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 47.7 | 177 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | E543 | E543-S545 PolarHBondContact O-N 3.48Š|
| 546 | Q | 25 | Very low | 33.6 | Very low | 183 Ų | 183 | 125.4 Ų | 125.4 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | trans | -161.2 | 106.1 | 149.4 | -110.4 | 165.7 | 38.8 | 0 | 0 | 111.7 | E548 | Q546-E548 PolarHBondContact O-N 2.93Å; Q546-E548 VanDerWaalsContact O-N 3.07Å | ||
| 547 | S | 23 | Very low | 35 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 84% | 0.839 | 63% | 0.63 | S | S | * | * | trans | -70.8 | 91.3 | 170 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 548 | E | 24.2 | Very low | 36.7 | Very low | 182 Ų | 182 | 117.2 Ų | 117.2 | 85% | 0.85 | 61% | 0.607 | S | S | * | * | trans | -158.9 | 124.8 | 155.8 | -114.8 | 173.9 | -154.9 | 0 | 0 | 112.6 | Q546 R550 | Q546-E548 PolarHBondContact O-N 2.93Å; Q546-E548 VanDerWaalsContact O-N 3.07Å; E548-R550 PolarHBondContact O-N 3.44Å; E548-R550 VanDerWaalsContact O-N 3.09Å | ||
| 549 | K | 24.5 | Very low | 38.3 | Very low | 208 Ų | 208 | 115.7 Ų | 115.7 | 90% | 0.904 | 60% | 0.601 | S | S | * | * | trans | -35.5 | 104.6 | 176.9 | -68.2 | 164.3 | 174.6 | 171.9 | 0 | 113.9 | ||||
| 550 | R | 25.3 | Very low | 40.2 | Very low | 224 Ų | 224 | 113 Ų | 113 | 85% | 0.845 | 58% | 0.582 | S | S | * | * | trans | -120.8 | 109.6 | 152.9 | -79.8 | -174 | 176.5 | 176.6 | 1.1 | 110.2 | E548 S552 | E548-R550 PolarHBondContact O-N 3.44Å; E548-R550 VanDerWaalsContact O-N 3.09Å; R550-S552 PolarHBondContact O-N 2.92Å | ||
| 551 | Q | 30 | Very low | 42.3 | Very low | 192 Ų | 192 | 109.7 Ų | 109.7 | 90% | 0.897 | 56% | 0.559 | S | S | * | * | trans | -67.6 | 31.3 | 178.7 | -71 | 170.5 | -46.5 | 0 | 0 | 113.9 | ||||
| 552 | S | 34.5 | Very low | 44.3 | Very low | 101 Ų | 101 | 102.1 Ų | 102.1 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2.5 | -169.9 | 47.7 | 0 | 0 | 0 | 0 | 115.6 | R550 | R550-S552 PolarHBondContact O-N 2.92Š|
| 553 | S | 41.6 | Very low | 46.3 | Very low | 82 Ų | 82 | 97.9 Ų | 97.9 | 57% | 0.573 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -2.4 | -177.4 | 66.9 | 0 | 0 | 0 | 0 | 116 | K536 | K536-S553 PolarHBondContact NZ-O 2.97Š|
| 554 | R | 50.8 | Low | 48.5 | Very low | 165 Ų | 165 | 90.9 Ų | 90.9 | 62% | 0.623 | 46% | 0.464 | S | S | * | . | trans | -89.7 | -7.6 | -173.2 | -74.7 | -168 | 180 | -161.5 | -1.6 | 116.9 | ||||
| 555 | R | 57.2 | Low | 50.8 | Low | 108 Ų | 108 | 86.8 Ų | 86.8 | 41% | 0.408 | 43% | 0.433 | S | S | . | . | trans | -72.1 | 134.5 | 175.4 | -71.9 | -172.4 | -177.5 | -152.2 | 4 | 109.9 | L28 H29 K536 | L28-R555 VanDerWaalsContact CA-NH1 3.27Å; L28-R555 PolarHBondContact O-NH1 3.39Å; H29-R555 PolarHBondContact O-NH1 2.93Å; K536-R555 PolarHBondContact NZ-O 2.89Å | ||
| 556 | G | 56.5 | Low | 52.7 | Low | 10 Ų | 10 | 84.4 Ų | 84.4 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | trans | -71.4 | -170.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H29 T344 | H29-G556 PolarHBondContact NE2-O 3.21Å; T344-G556 WeakPolarHBondContact OG1-CA 3.33Å | ||
| 557 | E | 62.8 | Low | 54.6 | Low | 66 Ų | 66 | 76.8 Ų | 76.8 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -61.4 | 134.4 | 177.5 | -73.8 | -173 | 155.3 | 0 | 0 | 109.7 | T344 R393 G529 | T344-E557 HydrophobicContact CG2-CG 4.45Å; R393-E557 WeakPolarHBondContact CD-OE2 3.22Å; R393-E557 IonicContact CZ-OE2 3.53Å; R393-E557 IonicContact NE-OE2 3.97Å; R393-E557 PolarHBondContact NE-OE2 3.38Å; R393-E557 IonicContact NH1-OE2 3.97Å; R393-E557 PolarHBondContact NH1-OE2 3.5Å; R393-E557 IonicContact NH2-OE2 3.35Å; G529-E557 VanDerWaalsContact CA-OE1 3.27Å; G529-E557 WeakPolarHBondContact CA-OE1 3.45Å |
| 558 | P | 68.1 | Low | 56.8 | Low | 10 Ų | 10 | 72.7 Ų | 72.7 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 146.7 | 178.8 | 25.1 | -33.9 | 0 | 0 | 0 | 110.2 | L562 T563 | P558-L562 HydrophobicContact CB-CB 4.21Å; P558-L562 HydrophobicContact CB-CD1 4.19Å; P558-T563 HydrophobicContact CB-CG2 4.31Å; P558-T563 HydrophobicContact CG-CG2 3.54Å |
| 559 | P | 70.1 | Confident | 59.1 | Low | 33 Ų | 33 | 66.2 Ų | 66.2 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 144.3 | 175.1 | -27.6 | 35 | 0 | 0 | 0 | 111.7 | P489 V561 L562 | P489-P559 HydrophobicContact CB-CB 4.24Å; P489-P559 HydrophobicContact CB-CG 3.95Å; P559-V561 PolarHBondContact O-N 2.98Å; P559-L562 WeakPolarHBondContact O-CB 3.44Å; P559-L562 PolarHBondContact O-N 2.98Å |
| 560 | V | 73 | Confident | 61.8 | Low | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -50.8 | -34 | -175.4 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | R393 L562 T563 Q564 R571 N588 | R393-V560 HydrophobicContact CB-CG2 4.14Å; V560-L562 VanDerWaalsContact C-N 3.32Å; V560-L562 PolarHBondContact O-N 3.41Å; V560-T563 CarbonylContact O-C 3.53Å; V560-T563 VanDerWaalsContact O-C 3.31Å; V560-T563 PolarHBondContact O-N 2.89Å; V560-T563 VanDerWaalsContact O-N 3.12Å; V560-T563 PolarHBondContact O-OG1 3.43Å; V560-Q564 WeakPolarHBondContact O-CA 3.37Å; V560-Q564 VanDerWaalsContact O-CB 3.3Å; V560-Q564 WeakPolarHBondContact O-CB 3.43Å; V560-Q564 PolarHBondContact O-N 3.48Å; V560-R571 VanDerWaalsContact CG2-NH1 3.29Å; V560-N588 HydrophobicContact CG1-CB 4.09Å |
| 561 | V | 76.1 | Confident | 64.6 | Low | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 175.9 | 167.5 | 0 | 0 | 0 | 0 | 112 | L487 P559 T563 Q564 P589 F649 E653 R748 | L487-V561 HydrophobicContact CB-CG2 3.88Å; L487-V561 WeakPolarHBondContact O-CB 3.34Å; L487-V561 WeakPolarHBondContact O-CG2 3.34Å; P559-V561 PolarHBondContact O-N 2.98Å; V561-T563 PolarHBondContact O-N 3.23Å; V561-Q564 VanDerWaalsContact O-CG 3.22Å; V561-Q564 WeakPolarHBondContact O-CG 3.44Å; V561-Q564 PolarHBondContact O-N 3.3Å; V561-P589 HydrophobicContact CG2-CG 4.25Å; V561-F649 HydrophobicContact CG2-CD1 3.81Å; V561-F649 HydrophobicContact CG2-CE1 3.5Å; V561-F649 VanDerWaalsContact CG2-CE1 3.5Å; V561-F649 HydrophobicContact CG2-CZ 4.46Å; V561-E653 HydrophobicContact CG1-CG 4.43Å; V561-E653 VanDerWaalsContact CG1-OE2 3.32Å; V561-E653 WeakPolarHBondContact CG1-OE2 3.48Å; V561-R748 PolarHBondContact O-NH1 2.72Å |
| 562 | L | 75.7 | Confident | 67.3 | Low | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -23.4 | 179.2 | -61.1 | -174.7 | 0 | 0 | 0 | 112.9 | H29 P489 P558 P559 V560 R748 | H29-L562 HydrophobicContact CB-CD1 3.59Å; P489-L562 HydrophobicContact CB-CD1 4.05Å; P489-L562 HydrophobicContact CB-CD2 4.13Å; P489-L562 HydrophobicContact CB-CG 3.98Å; P489-L562 HydrophobicContact CG-CD2 3.7Å; P489-L562 HydrophobicContact CG-CG 4.03Å; P558-L562 HydrophobicContact CB-CB 4.21Å; P558-L562 HydrophobicContact CB-CD1 4.19Å; P559-L562 WeakPolarHBondContact O-CB 3.44Å; P559-L562 PolarHBondContact O-N 2.98Å; V560-L562 VanDerWaalsContact C-N 3.32Å; V560-L562 PolarHBondContact O-N 3.41Å; L562-R748 WeakPolarHBondContact O-CD 3.38Å; L562-R748 PolarHBondContact O-NE 2.96Å |
| 563 | T | 72.9 | Confident | 69.9 | Low | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -112.8 | 8.1 | -179.3 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | P558 V560 V561 I565 L566 D567 | P558-T563 HydrophobicContact CB-CG2 4.31Å; P558-T563 HydrophobicContact CG-CG2 3.54Å; V560-T563 CarbonylContact O-C 3.53Å; V560-T563 VanDerWaalsContact O-C 3.31Å; V560-T563 PolarHBondContact O-N 2.89Å; V560-T563 VanDerWaalsContact O-N 3.12Å; V560-T563 PolarHBondContact O-OG1 3.43Å; V561-T563 PolarHBondContact O-N 3.23Å; T563-I565 PolarHBondContact O-N 3.36Å; T563-L566 CarbonylContact O-C 3.33Å; T563-L566 WeakPolarHBondContact O-CA 3.47Å; T563-L566 PolarHBondContact O-N 3Å; T563-D567 WeakPolarHBondContact CB-OD2 3.49Å; T563-D567 PolarHBondContact O-N 3.49Å; T563-D567 PolarHBondContact OG1-OD2 2.97Å |
| 564 | Q | 72.9 | Confident | 72.1 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.9 | -168 | 66.8 | -171.8 | -11.3 | 0 | 0 | 115.1 | V560 V561 L590 | V560-Q564 WeakPolarHBondContact O-CA 3.37Å; V560-Q564 VanDerWaalsContact O-CB 3.3Å; V560-Q564 WeakPolarHBondContact O-CB 3.43Å; V560-Q564 PolarHBondContact O-N 3.48Å; V561-Q564 VanDerWaalsContact O-CG 3.22Å; V561-Q564 WeakPolarHBondContact O-CG 3.44Å; V561-Q564 PolarHBondContact O-N 3.3Å; Q564-L590 HydrophobicContact CB-CB 4.31Å; Q564-L590 HydrophobicContact CG-CB 4.3Å; Q564-L590 HydrophobicContact CG-CD1 3.91Å |
| 565 | I | 75.1 | Confident | 73.9 | Confident | 21 Ų | 21 | 26.5 Ų | 26.5 | 11% | 0.108 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -25.5 | 177.1 | -61.8 | 160.2 | 0 | 0 | 0 | 111.1 | T563 L590 A660 F745 R748 W832 | T563-I565 PolarHBondContact O-N 3.36Å; I565-L590 HydrophobicContact CG1-CD1 4.33Å; I565-A660 HydrophobicContact CD1-CB 4.18Å; I565-A660 HydrophobicContact CG1-CB 3.9Å; I565-F745 HydrophobicContact CD1-CD2 3.63Å; I565-F745 HydrophobicContact CD1-CE2 3.73Å; I565-F745 HydrophobicContact CG1-CE2 4.46Å; I565-R748 HydrophobicContact CD1-CB 3.71Å; I565-R748 HydrophobicContact CD1-CG 4.49Å; I565-W832 HydrophobicContact CG2-CH2 3.77Å; I565-W832 HydrophobicContact CG2-CZ2 4.23Å |
| 566 | L | 67 | Low | 75.3 | Confident | 47 Ų | 47 | 21.4 Ų | 21.4 | 25% | 0.246 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -25.8 | -176.2 | -56.1 | 177.4 | 0 | 0 | 0 | 112.3 | T563 L790 | T563-L566 CarbonylContact O-C 3.33Å; T563-L566 WeakPolarHBondContact O-CA 3.47Å; T563-L566 PolarHBondContact O-N 3Å; L566-L790 HydrophobicContact CD2-CD1 3.82Å |
| 567 | D | 65.1 | Low | 76.6 | Confident | 22 Ų | 22 | 21 Ų | 21 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -76.8 | 149.6 | 175.3 | -77.6 | -26.6 | 0 | 0 | 0 | 110.4 | R393 T563 | R393-D567 IonicContact CZ-OD1 3.09Å; R393-D567 IonicContact NH2-OD1 3.55Å; R393-D567 PolarHBondContact NH2-OD1 3.46Å; T563-D567 WeakPolarHBondContact CB-OD2 3.49Å; T563-D567 PolarHBondContact O-N 3.49Å; T563-D567 PolarHBondContact OG1-OD2 2.97Å |
| 568 | P | 68.7 | Low | 77.1 | Confident | 34 Ų | 34 | 19 Ų | 19 | 22% | 0.221 | 10% | 0.103 | C | C | . | . | trans | -58.6 | 152.3 | 176.7 | 19.2 | -26.7 | 0 | 0 | 0 | 111.8 | D516 L528 F570 N588 | D516-P568 HydrophobicContact CB-CB 4.39Å; D516-P568 HydrophobicContact CB-CG 3.92Å; D516-P568 WeakPolarHBondContact OD2-CG 3.49Å; L528-P568 HydrophobicContact CD2-CG 4.01Å; P568-F570 PolarHBondContact O-N 3.22Å; P568-N588 PolarHBondContact O-ND2 3.48Å; P568-N588 VanDerWaalsContact O-ND2 3.15Å | ||
| 569 | P | 72.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 21.9 Ų | 21.9 | 31% | 0.305 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -61.4 | -30.8 | -173.2 | 23.2 | -33.5 | 0 | 0 | 0 | 112.8 | N588 T591 | P569-N588 PolarHBondContact O-N 3.42Å; P569-N588 VanDerWaalsContact O-N 3.16Å; P569-T591 WeakPolarHBondContact CA-OG1 3.39Å; P569-T591 HydrophobicContact CB-CG2 4.38Å; P569-T591 WeakPolarHBondContact O-CB 3.38Å; P569-T591 PolarHBondContact O-OG1 2.84Å |
| 570 | F | 80.8 | Confident | 77.9 | Confident | 71 Ų | 71 | 20.5 Ų | 20.5 | 31% | 0.311 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 145.5 | 175.1 | 46.8 | -94.8 | 0 | 0 | 0 | 109.5 | P568 R572 R585 L586 | P568-F570 PolarHBondContact O-N 3.22Å; F570-R572 HydrophobicContact CD2-CG 3.92Å; F570-R572 HydrophobicContact CE2-CG 4Å; F570-R585 HydrophobicContact CB-CB 4.12Å; F570-R585 HydrophobicContact CD2-CB 4.09Å; F570-R585 HydrophobicContact CG-CB 4.21Å; F570-L586 VanDerWaalsContact CA-O 3.3Å; F570-L586 WeakPolarHBondContact CA-O 3.37Å |
| 571 | R | 84.3 | Confident | 78.5 | Confident | 25 Ų | 25 | 20.5 Ų | 20.5 | 9% | 0.094 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.6 | 169 | -69.4 | -177.9 | -77.9 | -96.8 | 5.7 | 109.3 | T392 V560 R585 L586 | T392-R571 VanDerWaalsContact OG1-CD 3.31Å; T392-R571 WeakPolarHBondContact OG1-CD 3.38Å; V560-R571 VanDerWaalsContact CG2-NH1 3.29Å; R571-R585 CarbonylContact O-C 3.55Å; R571-R585 WeakPolarHBondContact O-CA 3.37Å; R571-L586 HydrophobicContact CB-CB 4.32Å; R571-L586 PolarHBondContact N-O 3.19Å; R571-L586 PolarHBondContact O-N 3.44Å |
| 572 | R | 86.5 | Confident | 79 | Confident | 41 Ų | 41 | 21.5 Ų | 21.5 | 16% | 0.155 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.5 | -176 | -62.5 | -179.7 | 67.6 | -173.8 | 2.4 | 111 | E112 L514 N517 F570 H583 | E112-R572 IonicContact OE1-CZ 3.13Å; E112-R572 IonicContact OE1-NH1 2.72Å; E112-R572 PolarHBondContact OE1-NH1 2.94Å; E112-R572 IonicContact OE1-NH2 2.85Å; E112-R572 PolarHBondContact OE1-NH2 3.08Å; E112-R572 IonicContact OE2-CZ 2.77Å; E112-R572 IonicContact OE2-NH1 3.11Å; E112-R572 IonicContact OE2-NH2 2.64Å; E112-R572 PolarHBondContact OE2-NH2 3.24Å; L514-R572 HydrophobicContact CB-CB 3.96Å; L514-R572 HydrophobicContact CD1-CB 4.07Å; L514-R572 HydrophobicContact CG-CB 4.5Å; L514-R572 PolarHBondContact N-O 3.44Å; N517-R572 PolarHBondContact ND2-NH1 3.28Å; F570-R572 HydrophobicContact CD2-CG 3.92Å; F570-R572 HydrophobicContact CE2-CG 4Å; R572-H583 PolarHBondContact NH2-CE1 3.02Å; R572-H583 PolarHBondContact NH2-ND1 3.23Å; R572-H583 VanDerWaalsContact NH2-ND1 3.11Å |
| 573 | L | 89.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.5 | -177 | -74.4 | 145.1 | 0 | 0 | 0 | 108 | I64 V390 I397 T512 V513 F584 L586 | I64-L573 HydrophobicContact CD1-CD1 3.78Å; I64-L573 HydrophobicContact CG1-CD1 4.29Å; V390-L573 HydrophobicContact CG2-CD2 4.15Å; I397-L573 HydrophobicContact CD1-CD1 3.43Å; I397-L573 VanDerWaalsContact CD1-CD1 3.43Å; I397-L573 HydrophobicContact CD1-CD2 3.4Å; I397-L573 VanDerWaalsContact CD1-CD2 3.4Å; I397-L573 HydrophobicContact CD1-CG 4.06Å; T512-L573 WeakPolarHBondContact O-CA 3.32Å; V513-L573 HydrophobicContact CB-CD2 4.42Å; V513-L573 HydrophobicContact CG2-CD2 3.76Å; L573-F584 HydrophobicContact CB-CB 3.81Å; L573-F584 PolarHBondContact N-O 3.41Å; L573-F584 PolarHBondContact O-N 2.96Å; L573-L586 HydrophobicContact CD1-CB 4.1Å |
| 574 | L | 89.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.2 | 177.8 | -157 | 91 | 0 | 0 | 0 | 109.2 | V91 V98 F111 L511 T512 L514 I576 V581 H583 | V91-L574 HydrophobicContact CB-CD2 4.49Å; V91-L574 HydrophobicContact CG1-CD2 4.06Å; V91-L574 HydrophobicContact CG2-CD2 3.53Å; V98-L574 HydrophobicContact CG2-CD2 3.9Å; F111-L574 HydrophobicContact CB-CD1 4.44Å; F111-L574 HydrophobicContact CB-CD2 4.12Å; F111-L574 HydrophobicContact CD2-CD1 4.45Å; F111-L574 HydrophobicContact CG-CD2 4.48Å; L511-L574 WeakPolarHBondContact CA-O 3.27Å; T512-L574 HydrophobicContact CG2-CB 3.94Å; T512-L574 PolarHBondContact N-O 3.23Å; T512-L574 PolarHBondContact O-N 2.88Å; L514-L574 HydrophobicContact CD1-CB 4.3Å; L514-L574 HydrophobicContact CD1-CD1 4.19Å; L514-L574 HydrophobicContact CD2-CB 4.24Å; L514-L574 HydrophobicContact CG-CB 4.18Å; L574-I576 HydrophobicContact CD2-CG1 4.35Å; L574-V581 HydrophobicContact CD1-CG1 3.63Å; L574-V581 HydrophobicContact CD2-CG1 3.7Å; L574-V581 HydrophobicContact CG-CG1 3.64Å; L574-H583 WeakPolarHBondContact CD1-CE1 3.37Å; L574-H583 WeakPolarHBondContact CD1-NE2 3.49Å |
| 575 | L | 88.4 | Confident | 81 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.2 | 171.6 | -179.7 | 69.5 | 0 | 0 | 0 | 109.2 | I480 V504 A508 A510 L511 V581 V582 F584 | I480-L575 HydrophobicContact CD1-CD2 3.93Å; V504-L575 HydrophobicContact CB-CD2 4.48Å; V504-L575 HydrophobicContact CG1-CD2 4.31Å; V504-L575 HydrophobicContact CG2-CD2 3.7Å; A508-L575 HydrophobicContact CB-CD1 3.72Å; A510-L575 WeakPolarHBondContact O-CA 3.36Å; A510-L575 VanDerWaalsContact O-CD1 3.29Å; A510-L575 WeakPolarHBondContact O-CD1 3.45Å; L511-L575 HydrophobicContact CB-CD1 4.14Å; L511-L575 HydrophobicContact CD1-CB 4.32Å; L511-L575 HydrophobicContact CD1-CD1 4.18Å; L575-V581 WeakPolarHBondContact O-CA 3.23Å; L575-V582 HydrophobicContact CB-CB 4.5Å; L575-V582 PolarHBondContact N-O 3.37Å; L575-V582 PolarHBondContact O-N 2.92Å; L575-F584 HydrophobicContact CB-CD2 4.05Å; L575-F584 HydrophobicContact CB-CE2 3.6Å; L575-F584 HydrophobicContact CD2-CE2 3.78Å; L575-F584 HydrophobicContact CD2-CZ 4.33Å; L575-F584 HydrophobicContact CG-CE2 4.34Å |
| 576 | I | 87.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.4 | 170.3 | -46.4 | 171.1 | 0 | 0 | 0 | 108.9 | M89 V91 V98 W509 A510 L574 V581 | M89-I576 HydrophobicContact CE-CG2 3.72Å; M89-I576 HydrophobicContact SD-CB 3.7Å; M89-I576 HydrophobicContact SD-CD1 4.46Å; M89-I576 HydrophobicContact SD-CG2 3.22Å; M89-I576 WeakPolarHBondContact SD-CG2 3.35Å; V91-I576 HydrophobicContact CG2-CD1 3.44Å; V91-I576 VanDerWaalsContact CG2-CD1 3.44Å; V91-I576 HydrophobicContact CG2-CG1 4.16Å; V98-I576 HydrophobicContact CG1-CD1 3.55Å; V98-I576 HydrophobicContact CG1-CG1 4.46Å; V98-I576 HydrophobicContact CG2-CD1 4.31Å; W509-I576 PolarHBondContact N-O 2.84Å; A510-I576 HydrophobicContact CB-CB 4.36Å; A510-I576 HydrophobicContact CB-CD1 4.19Å; A510-I576 HydrophobicContact CB-CG1 4.45Å; A510-I576 PolarHBondContact N-O 2.9Å; A510-I576 PolarHBondContact O-N 3.41Å; L574-I576 HydrophobicContact CD2-CG1 4.35Å; I576-V581 HydrophobicContact CG1-CG2 4.37Å; I576-V581 HydrophobicContact CG2-CG2 4.27Å |
| 577 | S | 81.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 167.5 | 176.8 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | G507 Q579 G580 | G507-S577 WeakPolarHBondContact O-CA 3.41Å; G507-S577 WeakPolarHBondContact O-CB 3.23Å; S577-Q579 PolarHBondContact O-N 2.89Å; S577-Q579 PolarHBondContact OG-N 2.98Å; S577-G580 PolarHBondContact N-O 3.4Å; S577-G580 PolarHBondContact O-N 3.44Å; S577-G580 VanDerWaalsContact O-N 3.07Å; S577-G580 PolarHBondContact OG-N 3.3Å; S577-G580 PolarHBondContact OG-O 3.46Å |
| 578 | A | 73.7 | Confident | 82.9 | Confident | 22 Ų | 22 | 20.2 Ų | 20.2 | 18% | 0.182 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L72 G506 G507 W509 | L72-A578 WeakPolarHBondContact CD1-O 3.43Å; G506-A578 WeakPolarHBondContact O-CB 3.32Å; G507-A578 PolarHBondContact O-N 2.85Å; W509-A578 HydrophobicContact CZ2-CB 3.69Å |
| 579 | Q | 75 | Confident | 83.4 | Confident | 72 Ų | 72 | 18.7 Ų | 18.7 | 34% | 0.336 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -16 | -178.9 | -139.9 | 67.9 | 27.1 | 0 | 0 | 113.3 | F444 S577 | F444-Q579 HydrophobicContact CE2-CG 4.48Å; F444-Q579 HydrophobicContact CZ-CG 3.84Å; S577-Q579 PolarHBondContact O-N 2.89Å; S577-Q579 PolarHBondContact OG-N 2.98Å |
| 580 | G | 80.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.1 | -172.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F70 S577 | F70-G580 CarbonylContact O-C 3.51Å; F70-G580 VanDerWaalsContact O-CA 3.24Å; F70-G580 WeakPolarHBondContact O-CA 3.34Å; S577-G580 PolarHBondContact N-O 3.4Å; S577-G580 PolarHBondContact O-N 3.44Å; S577-G580 VanDerWaalsContact O-N 3.07Å; S577-G580 PolarHBondContact OG-N 3.3Å; S577-G580 PolarHBondContact OG-O 3.46Å |
| 581 | V | 86 | Confident | 84.1 | Confident | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.018 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.8 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | S69 F70 V98 W109 L574 L575 I576 | S69-V581 CarbonylContact C-O 3.56Å; S69-V581 WeakPolarHBondContact CA-O 3.28Å; F70-V581 PolarHBondContact N-O 3.38Å; F70-V581 PolarHBondContact O-N 3.12Å; V98-V581 HydrophobicContact CG1-CG2 4.47Å; V98-V581 HydrophobicContact CG2-CG1 4.41Å; V98-V581 HydrophobicContact CG2-CG2 4.1Å; W109-V581 HydrophobicContact CZ2-CG2 4.28Å; L574-V581 HydrophobicContact CD1-CG1 3.63Å; L574-V581 HydrophobicContact CD2-CG1 3.7Å; L574-V581 HydrophobicContact CG-CG1 3.64Å; L575-V581 WeakPolarHBondContact O-CA 3.23Å; I576-V581 HydrophobicContact CG1-CG2 4.37Å; I576-V581 HydrophobicContact CG2-CG2 4.27Å |
| 582 | V | 86.7 | Confident | 84 | Confident | 23 Ų | 23 | 15.1 Ų | 15.1 | 14% | 0.139 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.2 | 179.4 | -174 | 0 | 0 | 0 | 0 | 109.7 | A66 L575 F584 | A66-V582 HydrophobicContact CB-CG1 4.2Å; L575-V582 HydrophobicContact CB-CB 4.5Å; L575-V582 PolarHBondContact N-O 3.37Å; L575-V582 PolarHBondContact O-N 2.92Å; V582-F584 HydrophobicContact CB-CE2 4.13Å; V582-F584 HydrophobicContact CB-CZ 4.37Å; V582-F584 HydrophobicContact CG1-CD2 4.3Å; V582-F584 HydrophobicContact CG1-CE1 4.06Å; V582-F584 HydrophobicContact CG1-CE2 3.81Å; V582-F584 HydrophobicContact CG1-CZ 3.67Å |
| 583 | H | 88 | Confident | 84 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.3 | 171.2 | -75.9 | -112.6 | 0 | 0 | 0 | 109.9 | A66 T67 K68 F70 F111 E112 R572 L574 | A66-H583 CarbonylContact C-O 3.51Å; A66-H583 WeakPolarHBondContact CA-O 3.47Å; T67-H583 PolarHBondContact N-O 2.93Å; T67-H583 WeakPolarHBondContact OG1-CB 3.12Å; T67-H583 PolarHBondContact OG1-O 3.3Å; K68-H583 HydrophobicContact CB-CB 4.25Å; K68-H583 PolarHBondContact O-N 2.63Å; F70-H583 AromaticContact CE2-CD2 3.68Å; F70-H583 AromaticContact CE2-NE2 3.76Å; F111-H583 AromaticContact CD2-CE1 3.99Å; F111-H583 PolarHBondContact O-CE1 3.24Å; F111-H583 PolarHBondContact O-NE2 3.07Å; E112-H583 IonicContact OE2-CE1 3.49Å; R572-H583 PolarHBondContact NH2-CE1 3.02Å; R572-H583 PolarHBondContact NH2-ND1 3.23Å; R572-H583 VanDerWaalsContact NH2-ND1 3.11Å; L574-H583 WeakPolarHBondContact CD1-CE1 3.37Å; L574-H583 WeakPolarHBondContact CD1-NE2 3.49Å |
| 584 | F | 87.4 | Confident | 83.8 | Confident | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144.5 | 172 | -68.6 | -70.9 | 0 | 0 | 0 | 110.2 | I64 E65 A66 I480 W502 L573 L575 V582 | I64-F584 HydrophobicContact CG2-CB 4.04Å; I64-F584 HydrophobicContact CG2-CD1 3.4Å; I64-F584 HydrophobicContact CG2-CE1 4.06Å; I64-F584 HydrophobicContact CG2-CG 3.9Å; E65-F584 CarbonylContact O-C 3.59Å; E65-F584 VanDerWaalsContact O-CA 3.31Å; E65-F584 WeakPolarHBondContact O-CA 3.47Å; A66-F584 HydrophobicContact CB-CD1 4.02Å; A66-F584 HydrophobicContact CB-CE1 3.89Å; I480-F584 HydrophobicContact CD1-CE1 4.42Å; I480-F584 HydrophobicContact CD1-CE2 3.79Å; I480-F584 HydrophobicContact CD1-CZ 3.6Å; W502-F584 AromaticContact CD1-CE1 3.96Å; W502-F584 AromaticContact CD2-CE1 3.95Å; W502-F584 HydrophobicContact CD2-CE1 3.95Å; W502-F584 HydrophobicContact CD2-CZ 4.49Å; W502-F584 HydrophobicContact CE3-CE1 4.49Å; W502-F584 AromaticContact CG-CE1 3.92Å; W502-F584 HydrophobicContact CG-CE1 3.92Å; W502-F584 HydrophobicContact CG-CZ 4.4Å; L573-F584 HydrophobicContact CB-CB 3.81Å; L573-F584 PolarHBondContact N-O 3.41Å; L573-F584 PolarHBondContact O-N 2.96Å; L575-F584 HydrophobicContact CB-CD2 4.05Å; L575-F584 HydrophobicContact CB-CE2 3.6Å; L575-F584 HydrophobicContact CD2-CE2 3.78Å; L575-F584 HydrophobicContact CD2-CZ 4.33Å; L575-F584 HydrophobicContact CG-CE2 4.34Å; V582-F584 HydrophobicContact CB-CE2 4.13Å; V582-F584 HydrophobicContact CB-CZ 4.37Å; V582-F584 HydrophobicContact CG1-CD2 4.3Å; V582-F584 HydrophobicContact CG1-CE1 4.06Å; V582-F584 HydrophobicContact CG1-CE2 3.81Å; V582-F584 HydrophobicContact CG1-CZ 3.67Å |
| 585 | R | 87 | Confident | 83.5 | Confident | 51 Ų | 51 | 19.6 Ų | 19.6 | 19% | 0.192 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.3 | 167.9 | 71.6 | 175 | -179.1 | 158.7 | 10.5 | 110.1 | I64 E65 T67 F570 R571 E595 | I64-R585 WeakPolarHBondContact CA-O 3.47Å; E65-R585 HydrophobicContact CB-CG 3.99Å; E65-R585 PolarHBondContact N-O 2.88Å; E65-R585 PolarHBondContact O-N 2.79Å; E65-R585 IonicContact OE2-CZ 2.81Å; E65-R585 IonicContact OE2-NE 4Å; E65-R585 PolarHBondContact OE2-NE 3Å; E65-R585 IonicContact OE2-NH2 2.74Å; E65-R585 PolarHBondContact OE2-NH2 2.88Å; T67-R585 HydrophobicContact CG2-CB 3.67Å; T67-R585 HydrophobicContact CG2-CG 3.46Å; T67-R585 VanDerWaalsContact CG2-CG 3.46Å; F570-R585 HydrophobicContact CB-CB 4.12Å; F570-R585 HydrophobicContact CD2-CB 4.09Å; F570-R585 HydrophobicContact CG-CB 4.21Å; R571-R585 CarbonylContact O-C 3.55Å; R571-R585 WeakPolarHBondContact O-CA 3.37Å; R585-E595 IonicContact CZ-OE1 3.22Å; R585-E595 VanDerWaalsContact CZ-OE1 3.23Å; R585-E595 IonicContact NH1-OE1 3.85Å; R585-E595 PolarHBondContact NH1-OE1 3.47Å; R585-E595 IonicContact NH2-OE1 3.82Å; R585-E595 PolarHBondContact NH2-OE1 2.94Å; R585-E595 IonicContact NH2-OE2 2.96Å; R585-E595 PolarHBondContact NH2-OE2 2.79Å; R585-E595 VanDerWaalsContact NH2-OE2 3.16Å |
| 586 | L | 85.1 | Confident | 83.3 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 98.6 | 171.2 | -170.5 | 91 | 0 | 0 | 0 | 108.5 | E63 I64 T392 T395 F570 R571 L573 | E63-L586 HydrophobicContact CB-CD1 4.04Å; E63-L586 WeakPolarHBondContact O-CA 3.44Å; E63-L586 WeakPolarHBondContact O-CD1 3.19Å; I64-L586 HydrophobicContact CD1-CD1 4.24Å; I64-L586 HydrophobicContact CG1-CB 4.5Å; I64-L586 HydrophobicContact CG1-CD1 3.47Å; I64-L586 VanDerWaalsContact CG1-CD1 3.47Å; T392-L586 HydrophobicContact CG2-CD2 4.38Å; T395-L586 HydrophobicContact CG2-CD1 4.4Å; T395-L586 HydrophobicContact CG2-CD2 4.23Å; F570-L586 VanDerWaalsContact CA-O 3.3Å; F570-L586 WeakPolarHBondContact CA-O 3.37Å; R571-L586 HydrophobicContact CB-CB 4.32Å; R571-L586 PolarHBondContact N-O 3.19Å; R571-L586 PolarHBondContact O-N 3.44Å; L573-L586 HydrophobicContact CD1-CB 4.1Å |
| 587 | A | 82 | Confident | 83.1 | Confident | 11 Ų | 11 | 20.2 Ų | 20.2 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T591 R592 | A587-T591 HydrophobicContact CB-CG2 4.4Å; A587-R592 HydrophobicContact CB-CG 3.96Å |
| 588 | N | 79.3 | Confident | 83 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | trans | -70.6 | 162.5 | 174.5 | 80.7 | 28.7 | 0 | 0 | 0 | 111.1 | V560 P568 P569 L590 T591 R592 | V560-N588 HydrophobicContact CG1-CB 4.09Å; P568-N588 PolarHBondContact O-ND2 3.48Å; P568-N588 VanDerWaalsContact O-ND2 3.15Å; P569-N588 PolarHBondContact O-N 3.42Å; P569-N588 VanDerWaalsContact O-N 3.16Å; N588-L590 VanDerWaalsContact C-N 3.28Å; N588-L590 PolarHBondContact O-N 2.69Å; N588-L590 WeakPolarHBondContact OD1-CA 3.11Å; N588-L590 WeakPolarHBondContact OD1-CB 3.35Å; N588-L590 PolarHBondContact OD1-N 3.15Å; N588-T591 PolarHBondContact O-N 2.81Å; N588-T591 PolarHBondContact OD1-N 3.29Å; N588-T591 PolarHBondContact OD1-OG1 3.19Å; N588-R592 PolarHBondContact O-N 3.29Å | ||
| 589 | P | 80.3 | Confident | 83.2 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.7 | -37.6 | -178.4 | -27.9 | 36.8 | 0 | 0 | 0 | 114.5 | L487 V561 R592 L593 F645 F649 | L487-P589 HydrophobicContact CB-CG 4.49Å; L487-P589 HydrophobicContact CD1-CG 3.43Å; L487-P589 VanDerWaalsContact CD1-CG 3.43Å; V561-P589 HydrophobicContact CG2-CG 4.25Å; P589-R592 PolarHBondContact O-N 3.27Å; P589-L593 PolarHBondContact O-N 3.05Å; P589-F645 HydrophobicContact CB-CE2 4.24Å; P589-F645 HydrophobicContact CB-CZ 4.41Å; P589-F649 HydrophobicContact CB-CE2 4.21Å; P589-F649 HydrophobicContact CB-CZ 3.93Å; P589-F649 HydrophobicContact CG-CE1 4.43Å; P589-F649 HydrophobicContact CG-CZ 3.97Å |
| 590 | L | 84 | Confident | 82.9 | Confident | 20 Ų | 20 | 25.3 Ų | 25.3 | 11% | 0.105 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 179.4 | -177.1 | 149.2 | 0 | 0 | 0 | 111.2 | Q564 I565 N588 L593 R594 A660 I661 | Q564-L590 HydrophobicContact CB-CB 4.31Å; Q564-L590 HydrophobicContact CG-CB 4.3Å; Q564-L590 HydrophobicContact CG-CD1 3.91Å; I565-L590 HydrophobicContact CG1-CD1 4.33Å; N588-L590 VanDerWaalsContact C-N 3.28Å; N588-L590 PolarHBondContact O-N 2.69Å; N588-L590 WeakPolarHBondContact OD1-CA 3.11Å; N588-L590 WeakPolarHBondContact OD1-CB 3.35Å; N588-L590 PolarHBondContact OD1-N 3.15Å; L590-L593 PolarHBondContact O-N 3.17Å; L590-R594 WeakPolarHBondContact O-CB 3.04Å; L590-R594 PolarHBondContact O-N 2.99Å; L590-A660 HydrophobicContact CD1-CB 3.59Å; L590-I661 HydrophobicContact CD2-CG1 4.11Å; L590-I661 HydrophobicContact CG-CG1 4.1Å |
| 591 | T | 83.7 | Confident | 82.2 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 7% | 0.067 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | P569 A587 N588 L593 R594 E595 | P569-T591 WeakPolarHBondContact CA-OG1 3.39Å; P569-T591 HydrophobicContact CB-CG2 4.38Å; P569-T591 WeakPolarHBondContact O-CB 3.38Å; P569-T591 PolarHBondContact O-OG1 2.84Å; A587-T591 HydrophobicContact CB-CG2 4.4Å; N588-T591 PolarHBondContact O-N 2.81Å; N588-T591 PolarHBondContact OD1-N 3.29Å; N588-T591 PolarHBondContact OD1-OG1 3.19Å; T591-L593 PolarHBondContact O-N 3.47Å; T591-R594 WeakPolarHBondContact O-CB 3.27Å; T591-R594 PolarHBondContact O-N 2.89Å; T591-E595 HydrophobicContact CG2-CG 4.4Å; T591-E595 WeakPolarHBondContact O-CB 3.3Å; T591-E595 WeakPolarHBondContact O-CG 3.29Å; T591-E595 PolarHBondContact O-N 3.25Å |
| 592 | R | 82.4 | Confident | 81 | Confident | 38 Ų | 38 | 31.1 Ų | 31.1 | 14% | 0.143 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 174.8 | -73.6 | -172.3 | -82 | 162.4 | -9.4 | 112.2 | A587 N588 P589 R594 E595 Y596 | A587-R592 HydrophobicContact CB-CG 3.96Å; N588-R592 PolarHBondContact O-N 3.29Å; P589-R592 PolarHBondContact O-N 3.27Å; R592-R594 VanDerWaalsContact C-N 3.34Å; R592-E595 PolarHBondContact O-N 3.04Å; R592-Y596 VanDerWaalsContact O-CB 3.31Å; R592-Y596 WeakPolarHBondContact O-CB 3.49Å; R592-Y596 PolarHBondContact O-N 2.79Å |
| 593 | L | 85.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 174.2 | -178.3 | 65.3 | 0 | 0 | 0 | 111.3 | P589 L590 T591 Y596 L597 Y641 L642 F645 A657 I661 | P589-L593 PolarHBondContact O-N 3.05Å; L590-L593 PolarHBondContact O-N 3.17Å; T591-L593 PolarHBondContact O-N 3.47Å; L593-Y596 PolarHBondContact O-N 3.27Å; L593-L597 HydrophobicContact CD1-CG 4.41Å; L593-L597 HydrophobicContact CG-CD1 4.24Å; L593-L597 VanDerWaalsContact O-CG 3.3Å; L593-L597 WeakPolarHBondContact O-CG 3.31Å; L593-L597 PolarHBondContact O-N 3.41Å; L593-Y641 HydrophobicContact CD1-CE1 4.12Å; L593-L642 HydrophobicContact CD1-CD2 3.8Å; L593-F645 HydrophobicContact CB-CE2 4.14Å; L593-F645 HydrophobicContact CB-CZ 4.27Å; L593-F645 HydrophobicContact CD2-CD1 4.47Å; L593-F645 HydrophobicContact CD2-CE1 3.99Å; L593-F645 HydrophobicContact CD2-CZ 4.09Å; L593-A657 HydrophobicContact CD2-CB 3.93Å; L593-I661 HydrophobicContact CB-CD1 3.94Å; L593-I661 HydrophobicContact CD2-CD1 3.71Å; L593-I661 HydrophobicContact CG-CD1 3.68Å |
| 594 | R | 85.6 | Confident | 77.2 | Confident | 72 Ų | 72 | 38.2 Ų | 38.2 | 27% | 0.272 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 177 | 179.5 | -179.9 | 175.9 | 153.2 | 1 | 112.3 | L590 T591 R592 Y596 L597 S598 I661 S664 L675 | L590-R594 WeakPolarHBondContact O-CB 3.04Å; L590-R594 PolarHBondContact O-N 2.99Å; T591-R594 WeakPolarHBondContact O-CB 3.27Å; T591-R594 PolarHBondContact O-N 2.89Å; R592-R594 VanDerWaalsContact C-N 3.34Å; R594-Y596 VanDerWaalsContact C-N 3.32Å; R594-L597 PolarHBondContact O-N 3.35Å; R594-S598 VanDerWaalsContact O-CB 3.31Å; R594-S598 WeakPolarHBondContact O-CB 3.27Å; R594-S598 PolarHBondContact O-N 3.45Å; R594-S598 PolarHBondContact O-OG 3.46Å; R594-I661 HydrophobicContact CB-CD1 3.93Å; R594-I661 HydrophobicContact CB-CG1 4.04Å; R594-I661 HydrophobicContact CB-CG2 4.29Å; R594-I661 HydrophobicContact CG-CG2 4.11Å; R594-S664 PolarHBondContact NH1-OG 3.07Å; R594-L675 HydrophobicContact CG-CD2 4.36Å |
| 595 | E | 82.8 | Confident | 74.9 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 179.6 | -73.8 | -177.3 | 167.2 | 0 | 0 | 110.9 | R585 T591 R592 S598 R599 | R585-E595 IonicContact CZ-OE1 3.22Å; R585-E595 VanDerWaalsContact CZ-OE1 3.23Å; R585-E595 IonicContact NH1-OE1 3.85Å; R585-E595 PolarHBondContact NH1-OE1 3.47Å; R585-E595 IonicContact NH2-OE1 3.82Å; R585-E595 PolarHBondContact NH2-OE1 2.94Å; R585-E595 IonicContact NH2-OE2 2.96Å; R585-E595 PolarHBondContact NH2-OE2 2.79Å; R585-E595 VanDerWaalsContact NH2-OE2 3.16Å; T591-E595 HydrophobicContact CG2-CG 4.4Å; T591-E595 WeakPolarHBondContact O-CB 3.3Å; T591-E595 WeakPolarHBondContact O-CG 3.29Å; T591-E595 PolarHBondContact O-N 3.25Å; R592-E595 PolarHBondContact O-N 3.04Å; E595-S598 PolarHBondContact O-N 3.11Å; E595-R599 VanDerWaalsContact O-CB 3.31Å; E595-R599 WeakPolarHBondContact O-CB 3.26Å; E595-R599 PolarHBondContact O-N 2.86Å |
| 596 | Y | 83.5 | Confident | 72.6 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 172.7 | 176.5 | -95.5 | 0 | 0 | 0 | 112 | R592 L593 R594 S598 R599 E600 G638 Y641 L642 | R592-Y596 VanDerWaalsContact O-CB 3.31Å; R592-Y596 WeakPolarHBondContact O-CB 3.49Å; R592-Y596 PolarHBondContact O-N 2.79Å; L593-Y596 PolarHBondContact O-N 3.27Å; R594-Y596 VanDerWaalsContact C-N 3.32Å; Y596-S598 VanDerWaalsContact C-N 3.3Å; Y596-S598 PolarHBondContact O-N 2.73Å; Y596-R599 PolarHBondContact O-N 2.93Å; Y596-E600 HydrophobicContact CD2-CG 4.31Å; Y596-E600 HydrophobicContact CE1-CG 4.04Å; Y596-E600 HydrophobicContact CE2-CG 3.76Å; Y596-E600 PolarHBondContact O-N 3.28Å; Y596-G638 WeakPolarHBondContact OH-CA 3.36Å; Y596-G638 PolarHBondContact OH-O 2.96Å; Y596-Y641 AromaticContact CD1-CD1 3.61Å; Y596-Y641 HydrophobicContact CD1-CD1 3.61Å; Y596-Y641 HydrophobicContact CD1-CE1 4.08Å; Y596-Y641 AromaticContact CD2-CD1 3.78Å; Y596-Y641 HydrophobicContact CD2-CD1 3.78Å; Y596-Y641 HydrophobicContact CD2-CE1 4.35Å; Y596-Y641 HydrophobicContact CD2-CG 4.05Å; Y596-Y641 AromaticContact CE1-CD1 3.92Å; Y596-Y641 HydrophobicContact CE1-CD1 3.92Å; Y596-Y641 HydrophobicContact CE2-CD1 4.09Å; Y596-Y641 HydrophobicContact CE2-CG 4.13Å; Y596-Y641 AromaticContact CG-CD1 3.55Å; Y596-Y641 HydrophobicContact CG-CD1 3.55Å; Y596-Y641 AromaticContact CG-CE1 3.85Å; Y596-Y641 HydrophobicContact CG-CE1 3.85Å; Y596-Y641 HydrophobicContact CG-CG 4.29Å; Y596-L642 HydrophobicContact CD1-CD2 4.36Å; Y596-L642 HydrophobicContact CE1-CD1 4.45Å; Y596-L642 HydrophobicContact CE1-CD2 4.11Å; Y596-L642 HydrophobicContact CE1-CG 3.94Å |
| 597 | L | 83.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -39 | 178 | -68.7 | 177.5 | 0 | 0 | 0 | 111.8 | L593 R594 F601 L642 I661 L675 V678 T682 | L593-L597 HydrophobicContact CD1-CG 4.41Å; L593-L597 HydrophobicContact CG-CD1 4.24Å; L593-L597 VanDerWaalsContact O-CG 3.3Å; L593-L597 WeakPolarHBondContact O-CG 3.31Å; L593-L597 PolarHBondContact O-N 3.41Å; R594-L597 PolarHBondContact O-N 3.35Å; L597-F601 HydrophobicContact CD2-CD2 4.47Å; L597-F601 HydrophobicContact CD2-CE2 4.07Å; L597-F601 WeakPolarHBondContact O-CB 3.43Å; L597-F601 VanDerWaalsContact O-CD2 3.27Å; L597-F601 WeakPolarHBondContact O-CD2 3.43Å; L597-F601 PolarHBondContact O-N 2.75Å; L597-L642 HydrophobicContact CD2-CD2 4.39Å; L597-I661 HydrophobicContact CD1-CD1 4.19Å; L597-L675 HydrophobicContact CB-CD1 4.1Å; L597-V678 HydrophobicContact CB-CG1 4.24Å; L597-V678 HydrophobicContact CD2-CG1 4Å; L597-T682 HydrophobicContact CD2-CG2 4.1Å; L597-T682 WeakPolarHBondContact CD2-OG1 3.46Å |
| 598 | S | 81.2 | Confident | 67.8 | Low | 43 Ų | 43 | 59.2 Ų | 59.2 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.2 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | R594 E595 Y596 S602 | R594-S598 VanDerWaalsContact O-CB 3.31Å; R594-S598 WeakPolarHBondContact O-CB 3.27Å; R594-S598 PolarHBondContact O-N 3.45Å; R594-S598 PolarHBondContact O-OG 3.46Å; E595-S598 PolarHBondContact O-N 3.11Å; Y596-S598 VanDerWaalsContact C-N 3.3Å; Y596-S598 PolarHBondContact O-N 2.73Å; S598-S602 WeakPolarHBondContact O-CB 3.23Å; S598-S602 PolarHBondContact O-N 2.61Å; S598-S602 PolarHBondContact O-OG 2.88Å |
| 599 | R | 76.8 | Confident | 65.6 | Low | 96 Ų | 96 | 64.5 Ų | 64.5 | 36% | 0.362 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.9 | -46.2 | -176.7 | -162.9 | 178.5 | 74.5 | -171.5 | 3.8 | 113 | E595 Y596 | E595-R599 VanDerWaalsContact O-CB 3.31Å; E595-R599 WeakPolarHBondContact O-CB 3.26Å; E595-R599 PolarHBondContact O-N 2.86Å; Y596-R599 PolarHBondContact O-N 2.93Å |
| 600 | E | 68.9 | Low | 63.2 | Low | 64 Ų | 64 | 67.7 Ų | 67.7 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | -179.9 | -73.4 | -71.7 | 142.7 | 0 | 0 | 112 | Y596 | Y596-E600 HydrophobicContact CD2-CG 4.31Å; Y596-E600 HydrophobicContact CE1-CG 4.04Å; Y596-E600 HydrophobicContact CE2-CG 3.76Å; Y596-E600 PolarHBondContact O-N 3.28Å |
| 601 | F | 65.4 | Low | 60.6 | Low | 46 Ų | 46 | 76.6 Ų | 76.6 | 20% | 0.202 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -93.2 | -13.4 | -173.4 | -69.8 | -92 | 0 | 0 | 0 | 114.5 | L597 N603 A604 V678 | L597-F601 HydrophobicContact CD2-CD2 4.47Å; L597-F601 HydrophobicContact CD2-CE2 4.07Å; L597-F601 WeakPolarHBondContact O-CB 3.43Å; L597-F601 VanDerWaalsContact O-CD2 3.27Å; L597-F601 WeakPolarHBondContact O-CD2 3.43Å; L597-F601 PolarHBondContact O-N 2.75Å; F601-N603 PolarHBondContact O-N 3.18Å; F601-A604 HydrophobicContact CD1-CB 4.17Å; F601-A604 PolarHBondContact O-N 3.46Å; F601-A604 VanDerWaalsContact O-N 3.11Å; F601-V678 HydrophobicContact CB-CG1 4.35Å; F601-V678 HydrophobicContact CB-CG2 3.89Å; F601-V678 HydrophobicContact CD1-CB 4.43Å; F601-V678 HydrophobicContact CD1-CG1 4.05Å; F601-V678 HydrophobicContact CD1-CG2 3.47Å; F601-V678 VanDerWaalsContact CD1-CG2 3.47Å; F601-V678 HydrophobicContact CD2-CB 4.44Å; F601-V678 HydrophobicContact CD2-CG1 3.36Å; F601-V678 HydrophobicContact CD2-CG2 4.22Å; F601-V678 HydrophobicContact CE1-CG1 4.14Å; F601-V678 HydrophobicContact CE1-CG2 3.98Å; F601-V678 HydrophobicContact CE2-CG1 3.46Å; F601-V678 VanDerWaalsContact CE2-CG1 3.46Å; F601-V678 HydrophobicContact CG-CB 4.29Å; F601-V678 HydrophobicContact CG-CG1 3.65Å; F601-V678 HydrophobicContact CG-CG2 3.59Å; F601-V678 HydrophobicContact CZ-CG1 3.86Å |
| 602 | S | 62.3 | Low | 58 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 58% | 0.58 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.4 | -32.4 | 164.4 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | S598 | S598-S602 WeakPolarHBondContact O-CB 3.23Å; S598-S602 PolarHBondContact O-N 2.61Å; S598-S602 PolarHBondContact O-OG 2.88Å |
| 603 | N | 48.7 | Very low | 55.4 | Low | 121 Ų | 121 | 83.2 Ų | 83.2 | 65% | 0.647 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -85.4 | -19.2 | 178.6 | -70.3 | -17.2 | 0 | 0 | 0 | 113.1 | F601 S605 | F601-N603 PolarHBondContact O-N 3.18Å; N603-S605 PolarHBondContact O-N 2.83Å |
| 604 | A | 45.8 | Very low | 53 | Low | 51 Ų | 51 | 88.4 Ų | 88.4 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | trans | -96 | 50.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F601 L606 | F601-A604 HydrophobicContact CD1-CB 4.17Å; F601-A604 PolarHBondContact O-N 3.46Å; F601-A604 VanDerWaalsContact O-N 3.11Å; A604-L606 PolarHBondContact O-N 2.89Å | ||
| 605 | S | 39.6 | Very low | 50.5 | Low | 107 Ų | 107 | 93.3 Ų | 93.3 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 12.7 | 176 | -61.9 | 0 | 0 | 0 | 0 | 114 | N603 | N603-S605 PolarHBondContact O-N 2.83Š|
| 606 | L | 37.3 | Very low | 47.9 | Very low | 162 Ų | 162 | 95.7 Ų | 95.7 | 85% | 0.848 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 6.9 | -168 | -79.8 | 167.4 | 0 | 0 | 0 | 116.7 | A604 | A604-L606 PolarHBondContact O-N 2.89Š|
| 607 | L | 33.9 | Very low | 45.4 | Very low | 140 Ų | 140 | 99.5 Ų | 99.5 | 73% | 0.733 | 58% | 0.575 | S | S | * | * | trans | -132.3 | 31 | -173.6 | -72.5 | 175.9 | 0 | 0 | 0 | 117 | ||||
| 608 | L | 33.8 | Very low | 42.8 | Very low | 103 Ų | 103 | 105.1 Ų | 105.1 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | trans | -116.4 | 115.5 | 161.4 | -92.8 | 115.6 | 0 | 0 | 0 | 111 | G610 | L608-G610 PolarHBondContact O-N 3.46Š| ||
| 609 | P | 31.7 | Very low | 40.3 | Very low | 119 Ų | 119 | 110.9 Ų | 110.9 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | trans | -60.6 | 134 | 163.4 | -11.6 | 26.2 | 0 | 0 | 0 | 108.6 | ||||
| 610 | G | 29.6 | Very low | 38.1 | Very low | 69 Ų | 69 | 110.1 Ų | 110.1 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | trans | -56.3 | 140.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L608 G612 | L608-G610 PolarHBondContact O-N 3.46Å; G610-G612 PolarHBondContact O-N 3.49Å | ||
| 611 | Y | 29.9 | Very low | 36.2 | Very low | 207 Ų | 207 | 110.6 Ų | 110.6 | 81% | 0.812 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 34.1 | 169.7 | -122.2 | -92.9 | 0 | 0 | 0 | 112.7 | ||
| 612 | G | 29.8 | Very low | 34.7 | Very low | 64 Ų | 64 | 111.7 Ų | 111.7 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -11.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G610 | G610-G612 PolarHBondContact O-N 3.49Š|
| 613 | D | 26.8 | Very low | 33.6 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | trans | -111.7 | 114.2 | -176.7 | -93.1 | -34.5 | 0 | 0 | 0 | 112.7 | Q615 L616 | D613-Q615 PolarHBondContact O-N 3.47Å; D613-L616 PolarHBondContact O-N 3.44Å | ||
| 614 | P | 36.9 | Very low | 33 | Very low | 110 Ų | 110 | 109 Ų | 109 | 71% | 0.714 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 8.3 | 178.5 | 27.8 | -32.8 | 0 | 0 | 0 | 114.2 | ||
| 615 | Q | 31.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 111.7 Ų | 111.7 | 81% | 0.813 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -3.8 | 178.9 | -65.5 | -162.7 | -5.1 | 0 | 0 | 114.5 | D613 | D613-Q615 PolarHBondContact O-N 3.47Š|
| 616 | L | 29.6 | Very low | 32.4 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 60% | 0.597 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -96.5 | -4.5 | 178 | -103.8 | 142 | 0 | 0 | 0 | 114.1 | D613 D618 | D613-L616 PolarHBondContact O-N 3.44Å; L616-D618 PolarHBondContact O-N 3.41Å |
| 617 | S | 30.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 109.3 Ų | 109.3 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -13.5 | 175.6 | 56 | 0 | 0 | 0 | 0 | 114.2 | ||
| 618 | D | 29.6 | Very low | 32.8 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -4.9 | -178.6 | -81.9 | -28 | 0 | 0 | 0 | 114.7 | L616 | L616-D618 PolarHBondContact O-N 3.41Š|
| 619 | M | 28 | Very low | 32.8 | Very low | 163 Ų | 163 | 109.5 Ų | 109.5 | 80% | 0.803 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -109.1 | 17.2 | -179.2 | -69.7 | -138.7 | 97.5 | 0 | 0 | 115.6 | ||
| 620 | I | 31 | Very low | 32.7 | Very low | 80 Ų | 80 | 109.5 Ų | 109.5 | 41% | 0.41 | 59% | 0.592 | S | S | . | * | trans | -120.6 | 70 | 171.1 | -45.8 | 179.5 | 0 | 0 | 0 | 111.8 | F623 | I620-F623 HydrophobicContact CD1-CE2 4.14Å; I620-F623 HydrophobicContact CG2-CD2 3.31Å; I620-F623 HydrophobicContact CG2-CE2 3.47Å; I620-F623 VanDerWaalsContact CG2-CE2 3.47Å; I620-F623 HydrophobicContact CG2-CG 4.39Å | ||
| 621 | P | 28.7 | Very low | 33.1 | Very low | 74 Ų | 74 | 110.5 Ų | 110.5 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -92.5 | 123.8 | 149.9 | 31.7 | -21.6 | 0 | 0 | 0 | 108.2 | ||
| 622 | N | 34.5 | Very low | 33.6 | Very low | 70 Ų | 70 | 107.6 Ų | 107.6 | 37% | 0.374 | 57% | 0.572 | S | S | . | * | trans | 96.2 | 63.8 | 175.4 | -49 | -23.5 | 0 | 0 | 0 | 116.8 | ||||
| 623 | F | 38.7 | Very low | 34 | Very low | 103 Ų | 103 | 107.2 Ų | 107.2 | 45% | 0.452 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -27.6 | 160.8 | -111.6 | -76.1 | 0 | 0 | 0 | 115.6 | I620 N625 Y626 | I620-F623 HydrophobicContact CD1-CE2 4.14Å; I620-F623 HydrophobicContact CG2-CD2 3.31Å; I620-F623 HydrophobicContact CG2-CE2 3.47Å; I620-F623 VanDerWaalsContact CG2-CE2 3.47Å; I620-F623 HydrophobicContact CG2-CG 4.39Å; F623-N625 VanDerWaalsContact C-N 3.33Å; F623-N625 PolarHBondContact O-N 2.97Å; F623-Y626 PolarHBondContact O-N 2.82Å |
| 624 | P | 35.9 | Very low | 34.7 | Very low | 44 Ų | 44 | 104.8 Ų | 104.8 | 29% | 0.286 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -34.6 | -179.6 | -21.1 | 32.3 | 0 | 0 | 0 | 113.5 | ||
| 625 | N | 35.4 | Very low | 35 | Very low | 107 Ų | 107 | 100.8 Ų | 100.8 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -83.4 | -14.5 | -177.2 | -75.2 | -11.7 | 0 | 0 | 0 | 114.1 | F623 | F623-N625 VanDerWaalsContact C-N 3.33Å; F623-N625 PolarHBondContact O-N 2.97Å |
| 626 | Y | 38 | Very low | 35.5 | Very low | 174 Ų | 174 | 99.4 Ų | 99.4 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -83.2 | -15 | 176.5 | -105.7 | -86.2 | 0 | 0 | 0 | 113.5 | F623 | F623-Y626 PolarHBondContact O-N 2.82Å |
| 627 | L | 41.6 | Very low | 36.2 | Very low | 46 Ų | 46 | 97.5 Ų | 97.5 | 24% | 0.241 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -22.2 | -178.5 | -111.2 | 146.1 | 0 | 0 | 0 | 113.6 | L631 A688 W854 | L627-L631 HydrophobicContact CD2-CD1 3.7Å; L627-L631 HydrophobicContact CG-CD1 3.69Å; L627-A688 HydrophobicContact CD1-CB 3.61Å; L627-A688 HydrophobicContact CD2-CB 3.65Å; L627-A688 HydrophobicContact CG-CB 4.24Å; L627-W854 HydrophobicContact CD1-CZ2 4.26Å |
| 628 | E | 37.5 | Very low | 36.9 | Very low | 104 Ų | 104 | 93.3 Ų | 93.3 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.5 | -174.9 | -129.9 | 169.7 | -157.4 | 0 | 0 | 113.4 | K730 | E628-K730 IonicContact OE1-NZ 3.06Å; E628-K730 PolarHBondContact OE1-NZ 3.08Å |
| 629 | N | 33.1 | Very low | 38.1 | Very low | 142 Ų | 142 | 88.5 Ų | 88.5 | 76% | 0.759 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | -24.4 | -177.1 | -76.9 | -37.4 | 0 | 0 | 0 | 117.9 | ||
| 630 | D | 30.5 | Very low | 40 | Very low | 119 Ų | 119 | 86.1 Ų | 86.1 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | trans | -148.2 | 25.8 | -168 | -88.2 | -42.2 | 0 | 0 | 0 | 118.2 | K632 | D630-K632 PolarHBondContact O-N 2.59Š| ||
| 631 | L | 38 | Very low | 42.3 | Very low | 90 Ų | 90 | 84.1 Ų | 84.1 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | trans | -78.1 | 62.2 | 157.7 | -82.7 | 168.2 | 0 | 0 | 0 | 110.8 | L627 L633 | L627-L631 HydrophobicContact CD2-CD1 3.7Å; L627-L631 HydrophobicContact CG-CD1 3.69Å; L631-L633 HydrophobicContact CD2-CD1 3.75Å; L631-L633 HydrophobicContact CD2-CG 3.74Å; L631-L633 PolarHBondContact O-N 3.04Å | ||
| 632 | K | 39.6 | Very low | 44.9 | Very low | 146 Ų | 146 | 80.8 Ų | 80.8 | 64% | 0.635 | 44% | 0.438 | S | S | * | . | trans | -72.6 | 61 | 144.4 | -73.1 | -171.1 | -178 | -141.6 | 0 | 108.5 | D630 G634 E636 | D630-K632 PolarHBondContact O-N 2.59Å; K632-G634 PolarHBondContact O-N 2.98Å; K632-E636 WeakPolarHBondContact CE-OE1 3.39Å; K632-E636 IonicContact NZ-OE1 2.82Å; K632-E636 PolarHBondContact NZ-OE1 2.8Å | ||
| 633 | L | 39.1 | Very low | 47.1 | Very low | 57 Ų | 57 | 78.5 Ų | 78.5 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | trans | -52.8 | 137.8 | 142.1 | -76.5 | 161.6 | 0 | 0 | 0 | 104.4 | L631 L635 | L631-L633 HydrophobicContact CD2-CD1 3.75Å; L631-L633 HydrophobicContact CD2-CG 3.74Å; L631-L633 PolarHBondContact O-N 3.04Å; L633-L635 HydrophobicContact CB-CD1 3.77Å; L633-L635 HydrophobicContact CB-CG 4.22Å; L633-L635 HydrophobicContact CD1-CD1 4.19Å; L633-L635 PolarHBondContact O-N 3.26Å | ||
| 634 | G | 41.2 | Very low | 49.1 | Very low | 71 Ų | 71 | 76 Ų | 76 | 73% | 0.732 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -61.9 | 33.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116 | K632 | K632-G634 PolarHBondContact O-N 2.98Š|
| 635 | L | 43.3 | Very low | 51.4 | Low | 26 Ų | 26 | 74.2 Ų | 74.2 | 14% | 0.136 | 41% | 0.414 | C | S | . | . | trans | -87 | 13.2 | 178.1 | -73 | 163.3 | 0 | 0 | 0 | 112.9 | L633 G637 G638 G639 L642 | L633-L635 HydrophobicContact CB-CD1 3.77Å; L633-L635 HydrophobicContact CB-CG 4.22Å; L633-L635 HydrophobicContact CD1-CD1 4.19Å; L633-L635 PolarHBondContact O-N 3.26Å; L635-G637 PolarHBondContact O-N 2.7Å; L635-G638 PolarHBondContact O-N 2.95Å; L635-G639 PolarHBondContact O-N 2.86Å; L635-L642 HydrophobicContact CD1-CD1 4.48Å; L635-L642 HydrophobicContact CD2-CD1 4.46Å | ||
| 636 | E | 41.3 | Very low | 53.8 | Low | 146 Ų | 146 | 69.1 Ų | 69.1 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.1 | 177.8 | -78.3 | -170.7 | 174.5 | 0 | 0 | 112.9 | K632 | K632-E636 WeakPolarHBondContact CE-OE1 3.39Å; K632-E636 IonicContact NZ-OE1 2.82Å; K632-E636 PolarHBondContact NZ-OE1 2.8Å |
| 637 | G | 44 | Very low | 56 | Low | 73 Ų | 73 | 65.3 Ų | 65.3 | 75% | 0.753 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -21.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L635 | L635-G637 PolarHBondContact O-N 2.7Š|
| 638 | G | 46.1 | Very low | 57.8 | Low | 6 Ų | 6 | 66.4 Ų | 66.4 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -20.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y596 L635 N640 Y641 | Y596-G638 WeakPolarHBondContact OH-CA 3.36Å; Y596-G638 PolarHBondContact OH-O 2.96Å; L635-G638 PolarHBondContact O-N 2.95Å; G638-N640 PolarHBondContact O-N 3Å; G638-Y641 PolarHBondContact O-N 3.08Å |
| 639 | G | 55 | Low | 59.9 | Low | 17 Ų | 17 | 61.7 Ų | 61.7 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.8 | -21.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | L635 S643 | L635-G639 PolarHBondContact O-N 2.86Å; G639-S643 VanDerWaalsContact O-CB 3.23Å; G639-S643 WeakPolarHBondContact O-CB 3.18Å; G639-S643 PolarHBondContact O-N 3.14Å |
| 640 | N | 68 | Low | 62.4 | Low | 114 Ų | 114 | 55.9 Ų | 55.9 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 175.9 | -73.9 | -3.4 | 0 | 0 | 0 | 112.3 | G638 S643 A644 | G638-N640 PolarHBondContact O-N 3Å; N640-S643 PolarHBondContact O-N 2.92Å; N640-A644 WeakPolarHBondContact O-CB 3.5Å; N640-A644 PolarHBondContact O-N 3.33Å |
| 641 | Y | 78.7 | Confident | 65.2 | Low | 38 Ų | 38 | 50.7 Ų | 50.7 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.5 | -47.6 | -177.9 | -178.6 | -98.2 | 0 | 0 | 0 | 111.9 | L593 Y596 G638 S643 A644 F645 | L593-Y641 HydrophobicContact CD1-CE1 4.12Å; Y596-Y641 AromaticContact CD1-CD1 3.61Å; Y596-Y641 HydrophobicContact CD1-CD1 3.61Å; Y596-Y641 HydrophobicContact CD1-CE1 4.08Å; Y596-Y641 AromaticContact CD2-CD1 3.78Å; Y596-Y641 HydrophobicContact CD2-CD1 3.78Å; Y596-Y641 HydrophobicContact CD2-CE1 4.35Å; Y596-Y641 HydrophobicContact CD2-CG 4.05Å; Y596-Y641 AromaticContact CE1-CD1 3.92Å; Y596-Y641 HydrophobicContact CE1-CD1 3.92Å; Y596-Y641 HydrophobicContact CE2-CD1 4.09Å; Y596-Y641 HydrophobicContact CE2-CG 4.13Å; Y596-Y641 AromaticContact CG-CD1 3.55Å; Y596-Y641 HydrophobicContact CG-CD1 3.55Å; Y596-Y641 AromaticContact CG-CE1 3.85Å; Y596-Y641 HydrophobicContact CG-CE1 3.85Å; Y596-Y641 HydrophobicContact CG-CG 4.29Å; G638-Y641 PolarHBondContact O-N 3.08Å; Y641-S643 VanDerWaalsContact C-N 3.33Å; Y641-S643 PolarHBondContact O-N 2.75Å; Y641-A644 PolarHBondContact O-N 3.09Å; Y641-F645 HydrophobicContact CE1-CD2 4.36Å; Y641-F645 WeakPolarHBondContact O-CB 3.47Å; Y641-F645 PolarHBondContact O-N 2.58Å |
| 642 | L | 83.7 | Confident | 67.6 | Low | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 177 | -68.1 | 174.8 | 0 | 0 | 0 | 110.9 | L593 Y596 L597 L635 A644 F645 L646 T682 Y685 F686 | L593-L642 HydrophobicContact CD1-CD2 3.8Å; Y596-L642 HydrophobicContact CD1-CD2 4.36Å; Y596-L642 HydrophobicContact CE1-CD1 4.45Å; Y596-L642 HydrophobicContact CE1-CD2 4.11Å; Y596-L642 HydrophobicContact CE1-CG 3.94Å; L597-L642 HydrophobicContact CD2-CD2 4.39Å; L635-L642 HydrophobicContact CD1-CD1 4.48Å; L635-L642 HydrophobicContact CD2-CD1 4.46Å; L642-A644 PolarHBondContact O-N 3.02Å; L642-F645 PolarHBondContact O-N 3.41Å; L642-L646 WeakPolarHBondContact O-CB 3.39Å; L642-L646 PolarHBondContact O-N 3.37Å; L642-T682 HydrophobicContact CD1-CG2 4.2Å; L642-T682 HydrophobicContact CD2-CG2 3.63Å; L642-Y685 HydrophobicContact CB-CE1 3.92Å; L642-Y685 HydrophobicContact CD1-CD1 4.4Å; L642-Y685 HydrophobicContact CD1-CE1 4.33Å; L642-F686 HydrophobicContact CB-CE1 3.97Å; L642-F686 HydrophobicContact CB-CZ 4.4Å; L642-F686 HydrophobicContact CD2-CE1 4.13Å; L642-F686 HydrophobicContact CD2-CZ 3.71Å; L642-F686 WeakPolarHBondContact O-CE1 3.49Å |
| 643 | S | 81.4 | Confident | 69.9 | Low | 23 Ų | 23 | 40.8 Ų | 40.8 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 176 | -162.8 | 0 | 0 | 0 | 0 | 111.6 | G639 N640 Y641 L646 H647 | G639-S643 VanDerWaalsContact O-CB 3.23Å; G639-S643 WeakPolarHBondContact O-CB 3.18Å; G639-S643 PolarHBondContact O-N 3.14Å; N640-S643 PolarHBondContact O-N 2.92Å; Y641-S643 VanDerWaalsContact C-N 3.33Å; Y641-S643 PolarHBondContact O-N 2.75Å; S643-L646 PolarHBondContact O-N 2.8Å; S643-H647 PolarHBondContact O-CD2 2.85Å; S643-H647 PolarHBondContact O-N 2.86Å |
| 644 | A | 79.7 | Confident | 72.3 | Confident | 50 Ų | 50 | 38 Ų | 38 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N640 Y641 L642 L646 H647 Q648 | N640-A644 WeakPolarHBondContact O-CB 3.5Å; N640-A644 PolarHBondContact O-N 3.33Å; Y641-A644 PolarHBondContact O-N 3.09Å; L642-A644 PolarHBondContact O-N 3.02Å; A644-L646 VanDerWaalsContact C-N 3.34Å; A644-L646 PolarHBondContact O-N 2.92Å; A644-H647 PolarHBondContact O-N 3.49Å; A644-Q648 WeakPolarHBondContact O-CB 3.21Å; A644-Q648 PolarHBondContact O-N 3.47Å |
| 645 | F | 84.3 | Confident | 74.7 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 176.6 | -165.9 | -85.5 | 0 | 0 | 0 | 111.6 | P589 L593 Y641 L642 Q648 F649 A654 A657 F686 | P589-F645 HydrophobicContact CB-CE2 4.24Å; P589-F645 HydrophobicContact CB-CZ 4.41Å; L593-F645 HydrophobicContact CB-CE2 4.14Å; L593-F645 HydrophobicContact CB-CZ 4.27Å; L593-F645 HydrophobicContact CD2-CD1 4.47Å; L593-F645 HydrophobicContact CD2-CE1 3.99Å; L593-F645 HydrophobicContact CD2-CZ 4.09Å; Y641-F645 HydrophobicContact CE1-CD2 4.36Å; Y641-F645 WeakPolarHBondContact O-CB 3.47Å; Y641-F645 PolarHBondContact O-N 2.58Å; L642-F645 PolarHBondContact O-N 3.41Å; F645-Q648 PolarHBondContact O-N 3.05Å; F645-F649 HydrophobicContact CD1-CD2 4Å; F645-F649 AromaticContact CD2-CD2 3.88Å; F645-F649 HydrophobicContact CD2-CD2 3.88Å; F645-F649 AromaticContact CD2-CE2 3.89Å; F645-F649 HydrophobicContact CD2-CE2 3.89Å; F645-F649 AromaticContact CE1-CD2 3.81Å; F645-F649 HydrophobicContact CE1-CD2 3.81Å; F645-F649 HydrophobicContact CE1-CG 4.46Å; F645-F649 AromaticContact CE2-CD2 3.7Å; F645-F649 HydrophobicContact CE2-CD2 3.7Å; F645-F649 AromaticContact CE2-CE2 3.6Å; F645-F649 HydrophobicContact CE2-CE2 3.6Å; F645-F649 HydrophobicContact CG-CD2 4.03Å; F645-F649 HydrophobicContact CG-CE2 4.48Å; F645-F649 AromaticContact CZ-CD2 3.66Å; F645-F649 HydrophobicContact CZ-CD2 3.66Å; F645-F649 AromaticContact CZ-CE2 3.95Å; F645-F649 HydrophobicContact CZ-CE2 3.95Å; F645-F649 HydrophobicContact CZ-CG 4.47Å; F645-F649 PolarHBondContact O-N 2.95Å; F645-A654 HydrophobicContact CD1-CB 4.07Å; F645-A654 HydrophobicContact CE1-CB 4.29Å; F645-A657 HydrophobicContact CE1-CB 4.14Å; F645-A657 HydrophobicContact CZ-CB 4.24Å; F645-F686 HydrophobicContact CD1-CZ 4.2Å |
| 646 | L | 85.9 | Confident | 77 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.7 | -177.7 | 68.2 | 0 | 0 | 0 | 112 | L642 S643 A644 S650 P651 A654 F686 K689 W694 | L642-L646 WeakPolarHBondContact O-CB 3.39Å; L642-L646 PolarHBondContact O-N 3.37Å; S643-L646 PolarHBondContact O-N 2.8Å; A644-L646 VanDerWaalsContact C-N 3.34Å; A644-L646 PolarHBondContact O-N 2.92Å; L646-S650 WeakPolarHBondContact O-CA 3.18Å; L646-S650 PolarHBondContact O-N 2.84Å; L646-S650 VanDerWaalsContact O-N 3.08Å; L646-P651 HydrophobicContact CD1-CB 4.37Å; L646-A654 HydrophobicContact CD1-CB 3.78Å; L646-F686 HydrophobicContact CB-CD1 3.96Å; L646-F686 HydrophobicContact CB-CE1 4.09Å; L646-F686 HydrophobicContact CD1-CB 4.05Å; L646-F686 HydrophobicContact CD1-CD1 3.91Å; L646-F686 HydrophobicContact CD1-CG 4.2Å; L646-F686 HydrophobicContact CD2-CD1 4.37Å; L646-F686 HydrophobicContact CG-CD1 4.3Å; L646-K689 HydrophobicContact CD2-CB 3.83Å; L646-K689 HydrophobicContact CD2-CG 3.93Å; L646-W694 HydrophobicContact CD2-CZ3 3.95Å; L646-W694 HydrophobicContact CG-CH2 4.25Å; L646-W694 HydrophobicContact CG-CZ3 3.95Å |
| 647 | H | 83.7 | Confident | 79.3 | Confident | 95 Ų | 95 | 26.5 Ų | 26.5 | 44% | 0.44 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.7 | -31.7 | 178.6 | -79.6 | -71.2 | 0 | 0 | 0 | 113.1 | S643 A644 W694 | S643-H647 PolarHBondContact O-CD2 2.85Å; S643-H647 PolarHBondContact O-N 2.86Å; A644-H647 PolarHBondContact O-N 3.49Å; H647-W694 AromaticContact CE1-CH2 3.44Å; H647-W694 VanDerWaalsContact CE1-CH2 3.44Å; H647-W694 WeakPolarHBondContact CE1-CH2 3.04Å; H647-W694 AromaticContact CE1-CZ2 3.96Å; H647-W694 AromaticContact CG-CH2 3.88Å; H647-W694 AromaticContact ND1-CH2 3.19Å; H647-W694 WeakPolarHBondContact ND1-CH2 3.27Å; H647-W694 AromaticContact ND1-CZ2 3.47Å; H647-W694 WeakPolarHBondContact ND1-CZ2 3.39Å |
| 648 | Q | 79.6 | Confident | 81.5 | Confident | 69 Ų | 69 | 23 Ų | 23 | 32% | 0.322 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -73.6 | -49 | 178.4 | -177.1 | 173.1 | 12.3 | 0 | 0 | 112 | A644 F645 | A644-Q648 WeakPolarHBondContact O-CB 3.21Å; A644-Q648 PolarHBondContact O-N 3.47Å; F645-Q648 PolarHBondContact O-N 3.05Å |
| 649 | F | 81.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -98.8 | -6.2 | -169.6 | -67.9 | -69.9 | 0 | 0 | 0 | 114.9 | L487 Y488 V561 P589 F645 E653 | L487-F649 HydrophobicContact CB-CE1 3.66Å; L487-F649 HydrophobicContact CB-CZ 4.08Å; Y488-F649 VanDerWaalsContact CD2-O 3.31Å; Y488-F649 WeakPolarHBondContact CD2-O 3.22Å; Y488-F649 WeakPolarHBondContact CE2-O 3.46Å; V561-F649 HydrophobicContact CG2-CD1 3.81Å; V561-F649 HydrophobicContact CG2-CE1 3.5Å; V561-F649 VanDerWaalsContact CG2-CE1 3.5Å; V561-F649 HydrophobicContact CG2-CZ 4.46Å; P589-F649 HydrophobicContact CB-CE2 4.21Å; P589-F649 HydrophobicContact CB-CZ 3.93Å; P589-F649 HydrophobicContact CG-CE1 4.43Å; P589-F649 HydrophobicContact CG-CZ 3.97Å; F645-F649 HydrophobicContact CD1-CD2 4Å; F645-F649 AromaticContact CD2-CD2 3.88Å; F645-F649 HydrophobicContact CD2-CD2 3.88Å; F645-F649 AromaticContact CD2-CE2 3.89Å; F645-F649 HydrophobicContact CD2-CE2 3.89Å; F645-F649 AromaticContact CE1-CD2 3.81Å; F645-F649 HydrophobicContact CE1-CD2 3.81Å; F645-F649 HydrophobicContact CE1-CG 4.46Å; F645-F649 AromaticContact CE2-CD2 3.7Å; F645-F649 HydrophobicContact CE2-CD2 3.7Å; F645-F649 AromaticContact CE2-CE2 3.6Å; F645-F649 HydrophobicContact CE2-CE2 3.6Å; F645-F649 HydrophobicContact CG-CD2 4.03Å; F645-F649 HydrophobicContact CG-CE2 4.48Å; F645-F649 AromaticContact CZ-CD2 3.66Å; F645-F649 HydrophobicContact CZ-CD2 3.66Å; F645-F649 AromaticContact CZ-CE2 3.95Å; F645-F649 HydrophobicContact CZ-CE2 3.95Å; F645-F649 HydrophobicContact CZ-CG 4.47Å; F645-F649 PolarHBondContact O-N 2.95Å; F649-E653 HydrophobicContact CB-CB 3.84Å; F649-E653 WeakPolarHBondContact O-CB 3.43Å; F649-E653 WeakPolarHBondContact O-CG 3.37Å |
| 650 | S | 86.6 | Confident | 85.3 | Confident | 21 Ų | 21 | 22.3 Ų | 22.3 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | trans | 76.3 | 161.1 | -169.7 | 86.5 | 0 | 0 | 0 | 0 | 114.3 | L646 E653 A654 | L646-S650 WeakPolarHBondContact O-CA 3.18Å; L646-S650 PolarHBondContact O-N 2.84Å; L646-S650 VanDerWaalsContact O-N 3.08Å; S650-E653 PolarHBondContact O-N 2.97Å; S650-A654 WeakPolarHBondContact O-CB 3.47Å; S650-A654 PolarHBondContact O-N 2.79Å; S650-A654 VanDerWaalsContact O-N 3.11Å | ||
| 651 | P | 87.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 16.9 Ų | 16.9 | 6% | 0.058 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.2 | -51.4 | -178.2 | -26.9 | 35.9 | 0 | 0 | 0 | 114.4 | L646 E653 A654 I655 A690 W694 | L646-P651 HydrophobicContact CD1-CB 4.37Å; P651-E653 VanDerWaalsContact C-N 3.3Å; P651-E653 PolarHBondContact O-N 2.84Å; P651-A654 PolarHBondContact O-N 2.96Å; P651-I655 WeakPolarHBondContact O-CB 3.47Å; P651-I655 WeakPolarHBondContact O-CD1 3.44Å; P651-I655 VanDerWaalsContact O-CG1 3.23Å; P651-I655 WeakPolarHBondContact O-CG1 3.45Å; P651-I655 PolarHBondContact O-N 2.81Å; P651-A690 HydrophobicContact CB-CB 3.6Å; P651-A690 HydrophobicContact CG-CB 3.64Å; P651-W694 HydrophobicContact CG-CB 4.46Å; P651-W694 HydrophobicContact CG-CD2 4.01Å; P651-W694 HydrophobicContact CG-CE3 3.71Å; P651-W694 HydrophobicContact CG-CG 4.34Å; P651-W694 HydrophobicContact CG-CZ3 4.27Å |
| 652 | D | 88.6 | Confident | 86.5 | Confident | 25 Ų | 25 | 15.1 Ų | 15.1 | 13% | 0.134 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | -174.3 | -59.3 | -28.9 | 0 | 0 | 0 | 111.4 | R25 C656 S740 L744 | R25-D652 IonicContact NH1-OD2 2.85Å; D652-C656 WeakPolarHBondContact O-CB 3.24Å; D652-C656 PolarHBondContact O-N 3.01Å; D652-S740 VanDerWaalsContact OD1-CB 3.27Å; D652-S740 WeakPolarHBondContact OD1-CB 3.42Å; D652-S740 PolarHBondContact OD1-OG 3.17Å; D652-S740 PolarHBondContact OD2-OG 3.33Å; D652-L744 HydrophobicContact CB-CD2 3.87Å |
| 653 | E | 87.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 15 Ų | 15 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.7 | -40.5 | -179.9 | -63.1 | -66.7 | 168.4 | 0 | 0 | 112.3 | Y488 V561 F649 S650 P651 C656 A657 L744 R748 | Y488-E653 HydrophobicContact CE2-CG 4.45Å; V561-E653 HydrophobicContact CG1-CG 4.43Å; V561-E653 VanDerWaalsContact CG1-OE2 3.32Å; V561-E653 WeakPolarHBondContact CG1-OE2 3.48Å; F649-E653 HydrophobicContact CB-CB 3.84Å; F649-E653 WeakPolarHBondContact O-CB 3.43Å; F649-E653 WeakPolarHBondContact O-CG 3.37Å; S650-E653 PolarHBondContact O-N 2.97Å; P651-E653 VanDerWaalsContact C-N 3.3Å; P651-E653 PolarHBondContact O-N 2.84Å; E653-C656 PolarHBondContact O-N 3.36Å; E653-A657 WeakPolarHBondContact O-CB 3.39Å; E653-A657 PolarHBondContact O-N 3.25Å; E653-L744 HydrophobicContact CG-CD2 4.49Å; E653-R748 IonicContact OE1-CZ 3.33Å; E653-R748 IonicContact OE1-NH2 3.07Å; E653-R748 PolarHBondContact OE1-NH2 2.79Å; E653-R748 IonicContact OE2-CZ 3.65Å; E653-R748 IonicContact OE2-NH1 3.69Å; E653-R748 PolarHBondContact OE2-NH1 2.94Å; E653-R748 IonicContact OE2-NH2 2.86Å; E653-R748 PolarHBondContact OE2-NH2 2.74Å |
| 654 | A | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F645 L646 S650 P651 A657 A658 F686 | F645-A654 HydrophobicContact CD1-CB 4.07Å; F645-A654 HydrophobicContact CE1-CB 4.29Å; L646-A654 HydrophobicContact CD1-CB 3.78Å; S650-A654 WeakPolarHBondContact O-CB 3.47Å; S650-A654 PolarHBondContact O-N 2.79Å; S650-A654 VanDerWaalsContact O-N 3.11Å; P651-A654 PolarHBondContact O-N 2.96Å; A654-A657 PolarHBondContact O-N 3.25Å; A654-A658 PolarHBondContact O-N 3.14Å; A654-F686 HydrophobicContact CB-CB 4.47Å; A654-F686 HydrophobicContact CB-CD1 4.23Å; A654-F686 HydrophobicContact CB-CD2 3.74Å; A654-F686 HydrophobicContact CB-CE1 4.37Å; A654-F686 HydrophobicContact CB-CE2 3.88Å; A654-F686 HydrophobicContact CB-CG 3.92Å; A654-F686 HydrophobicContact CB-CZ 4.2Å; A654-F686 WeakPolarHBondContact O-CD2 3.22Å; A654-F686 WeakPolarHBondContact O-CE2 3.06Å |
| 655 | I | 91.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 174.7 | -64.8 | 164 | 0 | 0 | 0 | 110.1 | P651 A657 A658 L659 A683 F686 A687 H737 L738 | P651-I655 WeakPolarHBondContact O-CB 3.47Å; P651-I655 WeakPolarHBondContact O-CD1 3.44Å; P651-I655 VanDerWaalsContact O-CG1 3.23Å; P651-I655 WeakPolarHBondContact O-CG1 3.45Å; P651-I655 PolarHBondContact O-N 2.81Å; I655-A657 PolarHBondContact O-N 3.48Å; I655-A658 PolarHBondContact O-N 3.06Å; I655-L659 HydrophobicContact CG2-CD1 3.92Å; I655-L659 HydrophobicContact CG2-CG 4.37Å; I655-L659 WeakPolarHBondContact O-CB 3.42Å; I655-L659 VanDerWaalsContact O-CG 3.3Å; I655-L659 WeakPolarHBondContact O-CG 3.25Å; I655-L659 PolarHBondContact O-N 3.38Å; I655-A683 HydrophobicContact CG2-CB 4.35Å; I655-F686 HydrophobicContact CG1-CB 3.77Å; I655-A687 HydrophobicContact CD1-CB 3.87Å; I655-H737 HydrophobicContact CD1-CB 4.17Å; I655-H737 VanDerWaalsContact CD1-O 3.31Å; I655-H737 WeakPolarHBondContact CD1-O 3.38Å; I655-L738 HydrophobicContact CG2-CD1 4.1Å |
| 656 | C | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 176.1 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | D652 E653 L659 A660 L744 F745 | D652-C656 WeakPolarHBondContact O-CB 3.24Å; D652-C656 PolarHBondContact O-N 3.01Å; E653-C656 PolarHBondContact O-N 3.36Å; C656-L659 PolarHBondContact O-N 2.94Å; C656-A660 WeakPolarHBondContact O-CB 3.12Å; C656-A660 PolarHBondContact O-N 3.47Å; C656-L744 HydrophobicContact CB-CD2 4.02Å; C656-L744 HydrophobicContact CB-CG 4.49Å; C656-F745 HydrophobicContact CB-CB 4.4Å; C656-F745 VanDerWaalsContact SG-CA 3.59Å |
| 657 | A | 89.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L593 F645 E653 A654 I655 A660 I661 | L593-A657 HydrophobicContact CD2-CB 3.93Å; F645-A657 HydrophobicContact CE1-CB 4.14Å; F645-A657 HydrophobicContact CZ-CB 4.24Å; E653-A657 WeakPolarHBondContact O-CB 3.39Å; E653-A657 PolarHBondContact O-N 3.25Å; A654-A657 PolarHBondContact O-N 3.25Å; I655-A657 PolarHBondContact O-N 3.48Å; A657-A660 PolarHBondContact O-N 3.39Å; A657-I661 WeakPolarHBondContact O-CG1 3.33Å; A657-I661 PolarHBondContact O-N 2.93Å; A657-I661 VanDerWaalsContact O-N 3.12Å |
| 658 | A | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A654 I655 A660 I661 G662 A679 A683 F686 | A654-A658 PolarHBondContact O-N 3.14Å; I655-A658 PolarHBondContact O-N 3.06Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 3.46Å; A658-I661 PolarHBondContact O-N 2.99Å; A658-G662 PolarHBondContact O-N 3.24Å; A658-G662 VanDerWaalsContact O-N 3.08Å; A658-A679 WeakPolarHBondContact O-CB 3.48Å; A658-A683 HydrophobicContact CB-CB 3.92Å; A658-F686 HydrophobicContact CB-CD2 4.28Å; A658-F686 HydrophobicContact CB-CE2 4.21Å |
| 659 | L | 91.1 | Very high | 81.4 | Confident | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.2 | -70 | 173 | 0 | 0 | 0 | 112.3 | I655 C656 I661 G662 A663 A683 I742 F745 Y839 L843 | I655-L659 HydrophobicContact CG2-CD1 3.92Å; I655-L659 HydrophobicContact CG2-CG 4.37Å; I655-L659 WeakPolarHBondContact O-CB 3.42Å; I655-L659 VanDerWaalsContact O-CG 3.3Å; I655-L659 WeakPolarHBondContact O-CG 3.25Å; I655-L659 PolarHBondContact O-N 3.38Å; C656-L659 PolarHBondContact O-N 2.94Å; L659-I661 VanDerWaalsContact C-N 3.34Å; L659-I661 PolarHBondContact O-N 3.27Å; L659-G662 PolarHBondContact O-N 3.04Å; L659-A663 WeakPolarHBondContact O-CB 3.23Å; L659-A663 PolarHBondContact O-N 3.37Å; L659-A683 HydrophobicContact CD2-CB 4.27Å; L659-A683 HydrophobicContact CG-CB 4.36Å; L659-I742 HydrophobicContact CD1-CB 4.33Å; L659-I742 HydrophobicContact CD1-CG1 3.62Å; L659-F745 HydrophobicContact CB-CD1 3.9Å; L659-F745 HydrophobicContact CB-CE1 4.32Å; L659-F745 HydrophobicContact CB-CG 4.14Å; L659-F745 HydrophobicContact CD1-CB 4.38Å; L659-Y839 HydrophobicContact CD2-CE1 4.45Å; L659-Y839 WeakPolarHBondContact O-CE1 3.21Å; L659-L843 HydrophobicContact CD2-CD1 3.86Å; L659-L843 HydrophobicContact CD2-CD2 4.08Å |
| 660 | A | 88 | Confident | 79.7 | Confident | 6 Ų | 6 | 19.2 Ų | 19.2 | 5% | 0.05 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I565 L590 C656 A657 A658 S664 F745 | I565-A660 HydrophobicContact CD1-CB 4.18Å; I565-A660 HydrophobicContact CG1-CB 3.9Å; L590-A660 HydrophobicContact CD1-CB 3.59Å; C656-A660 WeakPolarHBondContact O-CB 3.12Å; C656-A660 PolarHBondContact O-N 3.47Å; A657-A660 PolarHBondContact O-N 3.39Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 3.46Å; A660-S664 WeakPolarHBondContact O-CB 3.43Å; A660-S664 PolarHBondContact O-N 3.47Å; A660-F745 VanDerWaalsContact CA-CE2 3.47Å; A660-F745 HydrophobicContact CB-CD2 4.01Å; A660-F745 HydrophobicContact CB-CE2 3.52Å; A660-F745 HydrophobicContact CB-CZ 4.28Å |
| 661 | I | 86.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 173.9 | -65.6 | 164.5 | 0 | 0 | 0 | 110.4 | L590 L593 R594 L597 A657 A658 L659 A663 S664 A665 L675 A679 | L590-I661 HydrophobicContact CD2-CG1 4.11Å; L590-I661 HydrophobicContact CG-CG1 4.1Å; L593-I661 HydrophobicContact CB-CD1 3.94Å; L593-I661 HydrophobicContact CD2-CD1 3.71Å; L593-I661 HydrophobicContact CG-CD1 3.68Å; R594-I661 HydrophobicContact CB-CD1 3.93Å; R594-I661 HydrophobicContact CB-CG1 4.04Å; R594-I661 HydrophobicContact CB-CG2 4.29Å; R594-I661 HydrophobicContact CG-CG2 4.11Å; L597-I661 HydrophobicContact CD1-CD1 4.19Å; A657-I661 WeakPolarHBondContact O-CG1 3.33Å; A657-I661 PolarHBondContact O-N 2.93Å; A657-I661 VanDerWaalsContact O-N 3.12Å; A658-I661 PolarHBondContact O-N 2.99Å; L659-I661 VanDerWaalsContact C-N 3.34Å; L659-I661 PolarHBondContact O-N 3.27Å; I661-A663 VanDerWaalsContact C-N 3.32Å; I661-A663 PolarHBondContact O-N 3.27Å; I661-S664 PolarHBondContact O-N 3.49Å; I661-A665 PolarHBondContact O-N 3.01Å; I661-L675 HydrophobicContact CG2-CD1 4.41Å; I661-L675 HydrophobicContact CG2-CD2 4.22Å; I661-L675 HydrophobicContact CG2-CG 4.18Å; I661-A679 HydrophobicContact CB-CB 4.29Å; I661-A679 HydrophobicContact CG2-CB 4.15Å |
| 662 | G | 85.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A658 L659 A665 T666 | A658-G662 PolarHBondContact O-N 3.24Å; A658-G662 VanDerWaalsContact O-N 3.08Å; L659-G662 PolarHBondContact O-N 3.04Å; G662-A665 PolarHBondContact O-N 3.17Å; G662-T666 PolarHBondContact O-N 3.03Å |
| 663 | A | 85.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.8 | -27.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L659 I661 T666 F745 Q836 Y839 | L659-A663 WeakPolarHBondContact O-CB 3.23Å; L659-A663 PolarHBondContact O-N 3.37Å; I661-A663 VanDerWaalsContact C-N 3.32Å; I661-A663 PolarHBondContact O-N 3.27Å; A663-T666 PolarHBondContact O-OG1 3Å; A663-F745 HydrophobicContact CB-CE1 4.04Å; A663-F745 HydrophobicContact CB-CZ 3.68Å; A663-Q836 PolarHBondContact O-NE2 3Å; A663-Y839 HydrophobicContact CB-CD1 3.34Å; A663-Y839 HydrophobicContact CB-CE1 3.65Å; A663-Y839 HydrophobicContact CB-CG 3.84Å |
| 664 | S | 79.2 | Confident | 74.8 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.2 | -35.9 | 170.1 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | R594 A660 I661 T666 V667 | R594-S664 PolarHBondContact NH1-OG 3.07Å; A660-S664 WeakPolarHBondContact O-CB 3.43Å; A660-S664 PolarHBondContact O-N 3.47Å; I661-S664 PolarHBondContact O-N 3.49Å; S664-T666 VanDerWaalsContact C-N 3.3Å; S664-T666 PolarHBondContact O-N 2.95Å; S664-V667 PolarHBondContact O-N 3.44Å |
| 665 | A | 76 | Confident | 74.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -27.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | I661 G662 V667 S672 L675 Q676 | I661-A665 PolarHBondContact O-N 3.01Å; G662-A665 PolarHBondContact O-N 3.17Å; A665-V667 PolarHBondContact O-N 3.03Å; A665-S672 WeakPolarHBondContact O-CB 3.43Å; A665-S672 PolarHBondContact O-OG 3.45Å; A665-L675 HydrophobicContact CB-CB 4.32Å; A665-L675 HydrophobicContact CB-CD2 4.32Å; A665-L675 HydrophobicContact CB-CG 4.42Å; A665-Q676 HydrophobicContact CB-CB 4.22Å |
| 666 | T | 70.5 | Confident | 74 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.7 | 179.5 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | G662 A663 S664 Q676 Y839 | G662-T666 PolarHBondContact O-N 3.03Å; A663-T666 PolarHBondContact O-OG1 3Å; S664-T666 VanDerWaalsContact C-N 3.3Å; S664-T666 PolarHBondContact O-N 2.95Å; T666-Q676 VanDerWaalsContact CG2-CD 3.48Å; T666-Q676 HydrophobicContact CG2-CG 4.11Å; T666-Y839 HydrophobicContact CG2-CD2 3.75Å; T666-Y839 HydrophobicContact CG2-CE2 4.35Å |
| 667 | V | 63 | Low | 73.5 | Confident | 55 Ų | 55 | 40.4 Ų | 40.4 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -31.3 | -175 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | S664 A665 N835 | S664-V667 PolarHBondContact O-N 3.44Å; A665-V667 PolarHBondContact O-N 3.03Å; V667-N835 HydrophobicContact CG2-CB 4.37Å |
| 668 | S | 55.5 | Low | 73.2 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -89 | 117.7 | 177.9 | -57 | 0 | 0 | 0 | 0 | 109.6 | S672 | S668-S672 VanDerWaalsContact O-CB 3.23Å; S668-S672 WeakPolarHBondContact O-CB 3.5Å; S668-S672 PolarHBondContact O-OG 2.96Å |
| 669 | G | 42.8 | Very low | 73.1 | Confident | 76 Ų | 76 | 40.9 Ų | 40.9 | 78% | 0.784 | 27% | 0.269 | S | S | * | . | trans | -69.2 | 160.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L671 | G669-L671 PolarHBondContact O-N 3.25Å; G669-L671 VanDerWaalsContact O-N 3.15Å | ||
| 670 | G | 45.1 | Very low | 72.8 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 84% | 0.835 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 86.3 | -69.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 671 | L | 47.5 | Very low | 72.7 | Confident | 171 Ų | 171 | 44.6 Ų | 44.6 | 90% | 0.895 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -92.7 | -15 | -173.2 | -132 | 86.4 | 0 | 0 | 0 | 113.8 | G669 | G669-L671 PolarHBondContact O-N 3.25Å; G669-L671 VanDerWaalsContact O-N 3.15Å |
| 672 | S | 60.4 | Low | 72.7 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -85.8 | -17.6 | -168.9 | 62 | 0 | 0 | 0 | 0 | 115.2 | A665 S668 G674 L675 Q676 | A665-S672 WeakPolarHBondContact O-CB 3.43Å; A665-S672 PolarHBondContact O-OG 3.45Å; S668-S672 VanDerWaalsContact O-CB 3.23Å; S668-S672 WeakPolarHBondContact O-CB 3.5Å; S668-S672 PolarHBondContact O-OG 2.96Å; S672-G674 PolarHBondContact O-N 2.94Å; S672-L675 WeakPolarHBondContact O-CA 3.41Å; S672-L675 WeakPolarHBondContact O-CB 3.29Å; S672-L675 PolarHBondContact O-N 3.05Å; S672-Q676 PolarHBondContact O-N 3.35Å |
| 673 | K | 65.7 | Low | 72.9 | Confident | 157 Ų | 157 | 45 Ų | 45 | 68% | 0.683 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.3 | -33.3 | -178.1 | -113.2 | -178.8 | 179.6 | 179.2 | 0 | 112.1 | Q676 L677 | K673-Q676 PolarHBondContact O-N 2.88Å; K673-L677 PolarHBondContact O-N 3.33Å |
| 674 | G | 74.4 | Confident | 73.1 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S672 Q676 L677 V678 | S672-G674 PolarHBondContact O-N 2.94Å; G674-Q676 VanDerWaalsContact C-N 3.32Å; G674-Q676 PolarHBondContact O-N 3.45Å; G674-L677 PolarHBondContact O-N 2.88Å; G674-V678 WeakPolarHBondContact O-CB 3.49Å; G674-V678 VanDerWaalsContact O-CG2 3.24Å; G674-V678 WeakPolarHBondContact O-CG2 3.48Å; G674-V678 PolarHBondContact O-N 3.2Å |
| 675 | L | 81.5 | Confident | 73.5 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 177.9 | -173.4 | 65.2 | 0 | 0 | 0 | 112 | R594 L597 I661 A665 S672 V678 A679 | R594-L675 HydrophobicContact CG-CD2 4.36Å; L597-L675 HydrophobicContact CB-CD1 4.1Å; I661-L675 HydrophobicContact CG2-CD1 4.41Å; I661-L675 HydrophobicContact CG2-CD2 4.22Å; I661-L675 HydrophobicContact CG2-CG 4.18Å; A665-L675 HydrophobicContact CB-CB 4.32Å; A665-L675 HydrophobicContact CB-CD2 4.32Å; A665-L675 HydrophobicContact CB-CG 4.42Å; S672-L675 WeakPolarHBondContact O-CA 3.41Å; S672-L675 WeakPolarHBondContact O-CB 3.29Å; S672-L675 PolarHBondContact O-N 3.05Å; L675-V678 PolarHBondContact O-N 3.42Å; L675-A679 VanDerWaalsContact O-CB 3.24Å; L675-A679 WeakPolarHBondContact O-CB 3.49Å; L675-A679 PolarHBondContact O-N 3.27Å |
| 676 | Q | 83.6 | Confident | 74.1 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -53.1 | 174 | -175.9 | -165.8 | -13.9 | 0 | 0 | 111.4 | A665 T666 S672 K673 G674 V678 A679 E680 Y839 | A665-Q676 HydrophobicContact CB-CB 4.22Å; T666-Q676 VanDerWaalsContact CG2-CD 3.48Å; T666-Q676 HydrophobicContact CG2-CG 4.11Å; S672-Q676 PolarHBondContact O-N 3.35Å; K673-Q676 PolarHBondContact O-N 2.88Å; G674-Q676 VanDerWaalsContact C-N 3.32Å; G674-Q676 PolarHBondContact O-N 3.45Å; Q676-V678 VanDerWaalsContact C-N 3.33Å; Q676-V678 PolarHBondContact O-N 3.25Å; Q676-A679 PolarHBondContact O-N 2.91Å; Q676-E680 PolarHBondContact NE2-OE1 3.31Å; Q676-E680 WeakPolarHBondContact O-CG 2.99Å; Q676-E680 PolarHBondContact O-N 3.43Å; Q676-Y839 HydrophobicContact CG-CE2 3.84Å |
| 677 | L | 81.2 | Confident | 75 | Confident | 59 Ų | 59 | 45.6 Ų | 45.6 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 179.9 | -88.8 | 161.1 | 0 | 0 | 0 | 112.1 | K673 G674 A679 E680 Q681 | K673-L677 PolarHBondContact O-N 3.33Å; G674-L677 PolarHBondContact O-N 2.88Å; L677-A679 VanDerWaalsContact C-N 3.34Å; L677-E680 PolarHBondContact O-N 3.43Å; L677-Q681 WeakPolarHBondContact O-CB 3.37Å; L677-Q681 WeakPolarHBondContact O-CG 3.2Å; L677-Q681 PolarHBondContact O-N 3.2Å |
| 678 | V | 84.2 | Confident | 76 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.8 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | L597 F601 G674 L675 Q676 Q681 T682 | L597-V678 HydrophobicContact CB-CG1 4.24Å; L597-V678 HydrophobicContact CD2-CG1 4Å; F601-V678 HydrophobicContact CB-CG1 4.35Å; F601-V678 HydrophobicContact CB-CG2 3.89Å; F601-V678 HydrophobicContact CD1-CB 4.43Å; F601-V678 HydrophobicContact CD1-CG1 4.05Å; F601-V678 HydrophobicContact CD1-CG2 3.47Å; F601-V678 VanDerWaalsContact CD1-CG2 3.47Å; F601-V678 HydrophobicContact CD2-CB 4.44Å; F601-V678 HydrophobicContact CD2-CG1 3.36Å; F601-V678 HydrophobicContact CD2-CG2 4.22Å; F601-V678 HydrophobicContact CE1-CG1 4.14Å; F601-V678 HydrophobicContact CE1-CG2 3.98Å; F601-V678 HydrophobicContact CE2-CG1 3.46Å; F601-V678 VanDerWaalsContact CE2-CG1 3.46Å; F601-V678 HydrophobicContact CG-CB 4.29Å; F601-V678 HydrophobicContact CG-CG1 3.65Å; F601-V678 HydrophobicContact CG-CG2 3.59Å; F601-V678 HydrophobicContact CZ-CG1 3.86Å; G674-V678 WeakPolarHBondContact O-CB 3.49Å; G674-V678 VanDerWaalsContact O-CG2 3.24Å; G674-V678 WeakPolarHBondContact O-CG2 3.48Å; G674-V678 PolarHBondContact O-N 3.2Å; L675-V678 PolarHBondContact O-N 3.42Å; Q676-V678 VanDerWaalsContact C-N 3.33Å; Q676-V678 PolarHBondContact O-N 3.25Å; V678-Q681 PolarHBondContact O-N 2.89Å; V678-T682 WeakPolarHBondContact O-CB 3.48Å; V678-T682 PolarHBondContact O-N 2.94Å; V678-T682 PolarHBondContact O-OG1 3.09Å |
| 679 | A | 87.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A658 I661 L675 Q676 L677 T682 A683 | A658-A679 WeakPolarHBondContact O-CB 3.48Å; I661-A679 HydrophobicContact CB-CB 4.29Å; I661-A679 HydrophobicContact CG2-CB 4.15Å; L675-A679 VanDerWaalsContact O-CB 3.24Å; L675-A679 WeakPolarHBondContact O-CB 3.49Å; L675-A679 PolarHBondContact O-N 3.27Å; Q676-A679 PolarHBondContact O-N 2.91Å; L677-A679 VanDerWaalsContact C-N 3.34Å; A679-T682 PolarHBondContact O-N 3.28Å; A679-A683 PolarHBondContact O-N 3.33Å |
| 680 | E | 86.3 | Confident | 79.4 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.1 | -69.2 | -178.8 | -172.8 | 0 | 0 | 111.3 | Q676 L677 T682 A683 L684 Y839 L843 R846 | Q676-E680 PolarHBondContact NE2-OE1 3.31Å; Q676-E680 WeakPolarHBondContact O-CG 2.99Å; Q676-E680 PolarHBondContact O-N 3.43Å; L677-E680 PolarHBondContact O-N 3.43Å; E680-T682 VanDerWaalsContact C-N 3.33Å; E680-T682 PolarHBondContact O-N 3.28Å; E680-A683 WeakPolarHBondContact O-CB 3.06Å; E680-A683 PolarHBondContact O-N 3.05Å; E680-L684 WeakPolarHBondContact O-CG 3.13Å; E680-L684 PolarHBondContact O-N 2.91Å; E680-L684 VanDerWaalsContact O-N 3.14Å; E680-Y839 HydrophobicContact CG-CE2 4.41Å; E680-Y839 VanDerWaalsContact CG-OH 3.29Å; E680-Y839 WeakPolarHBondContact CG-OH 3.4Å; E680-Y839 WeakPolarHBondContact OE1-CE2 3.17Å; E680-L843 HydrophobicContact CB-CD1 4.43Å; E680-L843 HydrophobicContact CG-CD1 3.64Å; E680-R846 IonicContact OE1-CZ 2.7Å; E680-R846 IonicContact OE1-NH1 3.23Å; E680-R846 PolarHBondContact OE1-NH1 3.12Å; E680-R846 IonicContact OE1-NH2 3.16Å; E680-R846 PolarHBondContact OE1-NH2 3.35Å; E680-R846 IonicContact OE2-CZ 2.79Å; E680-R846 IonicContact OE2-NH1 3.77Å; E680-R846 PolarHBondContact OE2-NH1 3.49Å |
| 681 | Q | 84.4 | Confident | 81.3 | Confident | 67 Ų | 67 | 36.9 Ų | 36.9 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 174.8 | -76.1 | 178.3 | -13 | 0 | 0 | 112.6 | L677 V678 A683 L684 Y685 | L677-Q681 WeakPolarHBondContact O-CB 3.37Å; L677-Q681 WeakPolarHBondContact O-CG 3.2Å; L677-Q681 PolarHBondContact O-N 3.2Å; V678-Q681 PolarHBondContact O-N 2.89Å; Q681-A683 VanDerWaalsContact C-N 3.34Å; Q681-L684 PolarHBondContact O-N 3.24Å; Q681-Y685 PolarHBondContact O-N 2.96Å |
| 682 | T | 88.1 | Confident | 83 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 177.7 | -49.1 | 0 | 0 | 0 | 0 | 110.7 | L597 L642 V678 A679 E680 Y685 F686 | L597-T682 HydrophobicContact CD2-CG2 4.1Å; L597-T682 WeakPolarHBondContact CD2-OG1 3.46Å; L642-T682 HydrophobicContact CD1-CG2 4.2Å; L642-T682 HydrophobicContact CD2-CG2 3.63Å; V678-T682 WeakPolarHBondContact O-CB 3.48Å; V678-T682 PolarHBondContact O-N 2.94Å; V678-T682 PolarHBondContact O-OG1 3.09Å; A679-T682 PolarHBondContact O-N 3.28Å; E680-T682 VanDerWaalsContact C-N 3.33Å; E680-T682 PolarHBondContact O-N 3.28Å; T682-Y685 WeakPolarHBondContact O-CB 3.39Å; T682-Y685 PolarHBondContact O-N 3.22Å; T682-F686 HydrophobicContact CG2-CD2 4.2Å; T682-F686 HydrophobicContact CG2-CE2 3.68Å; T682-F686 HydrophobicContact CG2-CZ 3.91Å; T682-F686 WeakPolarHBondContact O-CD2 3.31Å; T682-F686 WeakPolarHBondContact O-CG 3.29Å; T682-F686 PolarHBondContact O-N 3.05Å |
| 683 | A | 89.1 | Confident | 84.1 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I655 A658 L659 A679 E680 Q681 F686 A687 | I655-A683 HydrophobicContact CG2-CB 4.35Å; A658-A683 HydrophobicContact CB-CB 3.92Å; L659-A683 HydrophobicContact CD2-CB 4.27Å; L659-A683 HydrophobicContact CG-CB 4.36Å; A679-A683 PolarHBondContact O-N 3.33Å; E680-A683 WeakPolarHBondContact O-CB 3.06Å; E680-A683 PolarHBondContact O-N 3.05Å; Q681-A683 VanDerWaalsContact C-N 3.34Å; A683-F686 PolarHBondContact O-N 3.45Å; A683-A687 PolarHBondContact O-N 2.81Å |
| 684 | L | 87.9 | Confident | 84.9 | Confident | 47 Ų | 47 | 35 Ų | 35 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.2 | -66.2 | 173 | 0 | 0 | 0 | 112 | E680 Q681 A687 A688 L738 W854 | E680-L684 WeakPolarHBondContact O-CG 3.13Å; E680-L684 PolarHBondContact O-N 2.91Å; E680-L684 VanDerWaalsContact O-N 3.14Å; Q681-L684 PolarHBondContact O-N 3.24Å; L684-A687 PolarHBondContact O-N 3.44Å; L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 3Å; L684-L738 HydrophobicContact CD2-CD1 4.29Å; L684-L738 HydrophobicContact CD2-CD2 3.69Å; L684-W854 HydrophobicContact CD2-CD2 4.27Å; L684-W854 HydrophobicContact CD2-CZ2 4.46Å |
| 685 | Y | 87.6 | Confident | 85.2 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 17% | 0.173 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -46.2 | 174 | 170.7 | -97.4 | 0 | 0 | 0 | 111.5 | L642 Q681 T682 A687 A688 K689 | L642-Y685 HydrophobicContact CB-CE1 3.92Å; L642-Y685 HydrophobicContact CD1-CD1 4.4Å; L642-Y685 HydrophobicContact CD1-CE1 4.33Å; Q681-Y685 PolarHBondContact O-N 2.96Å; T682-Y685 WeakPolarHBondContact O-CB 3.39Å; T682-Y685 PolarHBondContact O-N 3.22Å; Y685-A687 VanDerWaalsContact C-N 3.34Å; Y685-A687 PolarHBondContact O-N 2.83Å; Y685-A688 PolarHBondContact O-N 3.32Å; Y685-K689 HydrophobicContact CE1-CD 4.38Å; Y685-K689 HydrophobicContact CE2-CD 3.99Å; Y685-K689 VanDerWaalsContact O-CB 3.28Å; Y685-K689 WeakPolarHBondContact O-CB 3.39Å; Y685-K689 PolarHBondContact O-N 3.35Å; Y685-K689 WeakPolarHBondContact OH-CD 3.45Å; Y685-K689 PolarHBondContact OH-NZ 2.73Å |
| 686 | F | 90.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 176.5 | -72.3 | -38.2 | 0 | 0 | 0 | 112.1 | L642 F645 L646 A654 I655 A658 T682 A683 K689 A690 | L642-F686 HydrophobicContact CB-CE1 3.97Å; L642-F686 HydrophobicContact CB-CZ 4.4Å; L642-F686 HydrophobicContact CD2-CE1 4.13Å; L642-F686 HydrophobicContact CD2-CZ 3.71Å; L642-F686 WeakPolarHBondContact O-CE1 3.49Å; F645-F686 HydrophobicContact CD1-CZ 4.2Å; L646-F686 HydrophobicContact CB-CD1 3.96Å; L646-F686 HydrophobicContact CB-CE1 4.09Å; L646-F686 HydrophobicContact CD1-CB 4.05Å; L646-F686 HydrophobicContact CD1-CD1 3.91Å; L646-F686 HydrophobicContact CD1-CG 4.2Å; L646-F686 HydrophobicContact CD2-CD1 4.37Å; L646-F686 HydrophobicContact CG-CD1 4.3Å; A654-F686 HydrophobicContact CB-CB 4.47Å; A654-F686 HydrophobicContact CB-CD1 4.23Å; A654-F686 HydrophobicContact CB-CD2 3.74Å; A654-F686 HydrophobicContact CB-CE1 4.37Å; A654-F686 HydrophobicContact CB-CE2 3.88Å; A654-F686 HydrophobicContact CB-CG 3.92Å; A654-F686 HydrophobicContact CB-CZ 4.2Å; A654-F686 WeakPolarHBondContact O-CD2 3.22Å; A654-F686 WeakPolarHBondContact O-CE2 3.06Å; I655-F686 HydrophobicContact CG1-CB 3.77Å; A658-F686 HydrophobicContact CB-CD2 4.28Å; A658-F686 HydrophobicContact CB-CE2 4.21Å; T682-F686 HydrophobicContact CG2-CD2 4.2Å; T682-F686 HydrophobicContact CG2-CE2 3.68Å; T682-F686 HydrophobicContact CG2-CZ 3.91Å; T682-F686 WeakPolarHBondContact O-CD2 3.31Å; T682-F686 WeakPolarHBondContact O-CG 3.29Å; T682-F686 PolarHBondContact O-N 3.05Å; A683-F686 PolarHBondContact O-N 3.45Å; F686-K689 PolarHBondContact O-N 3.48Å; F686-A690 WeakPolarHBondContact O-CB 3.19Å; F686-A690 PolarHBondContact O-N 3.11Å |
| 687 | A | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I655 A683 L684 Y685 A690 S691 H737 L738 W854 | I655-A687 HydrophobicContact CD1-CB 3.87Å; A683-A687 PolarHBondContact O-N 2.81Å; L684-A687 PolarHBondContact O-N 3.44Å; Y685-A687 VanDerWaalsContact C-N 3.34Å; Y685-A687 PolarHBondContact O-N 2.83Å; A687-A690 PolarHBondContact O-N 2.76Å; A687-S691 PolarHBondContact O-N 2.98Å; A687-H737 HydrophobicContact CB-CB 4.49Å; A687-L738 HydrophobicContact CB-CB 3.87Å; A687-L738 HydrophobicContact CB-CD1 4.39Å; A687-W854 HydrophobicContact CB-CE3 4.46Å; A687-W854 HydrophobicContact CB-CH2 4.02Å; A687-W854 HydrophobicContact CB-CZ3 3.5Å; A687-W854 VanDerWaalsContact CB-CZ3 3.5Å |
| 688 | A | 84.6 | Confident | 84.8 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L627 L684 Y685 A690 S691 W854 | L627-A688 HydrophobicContact CD1-CB 3.61Å; L627-A688 HydrophobicContact CD2-CB 3.65Å; L627-A688 HydrophobicContact CG-CB 4.24Å; L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 3Å; Y685-A688 PolarHBondContact O-N 3.32Å; A688-A690 VanDerWaalsContact C-N 3.31Å; A688-A690 PolarHBondContact O-N 3.03Å; A688-S691 PolarHBondContact O-N 3.09Å; A688-S691 PolarHBondContact O-OG 3.18Å; A688-W854 HydrophobicContact CB-CH2 3.88Å; A688-W854 HydrophobicContact CB-CZ2 4.42Å |
| 689 | K | 84.9 | Confident | 84.5 | Confident | 48 Ų | 48 | 43 Ų | 43 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 179.5 | -160.1 | 107.4 | 173.2 | -169.1 | 0 | 111.5 | L646 Y685 F686 S691 Q692 Y693 | L646-K689 HydrophobicContact CD2-CB 3.83Å; L646-K689 HydrophobicContact CD2-CG 3.93Å; Y685-K689 HydrophobicContact CE1-CD 4.38Å; Y685-K689 HydrophobicContact CE2-CD 3.99Å; Y685-K689 VanDerWaalsContact O-CB 3.28Å; Y685-K689 WeakPolarHBondContact O-CB 3.39Å; Y685-K689 PolarHBondContact O-N 3.35Å; Y685-K689 WeakPolarHBondContact OH-CD 3.45Å; Y685-K689 PolarHBondContact OH-NZ 2.73Å; F686-K689 PolarHBondContact O-N 3.48Å; K689-S691 VanDerWaalsContact C-N 3.3Å; K689-S691 PolarHBondContact O-N 2.67Å; K689-Q692 WeakPolarHBondContact O-CB 3.15Å; K689-Q692 PolarHBondContact O-N 2.9Å; K689-Q692 VanDerWaalsContact O-N 3.12Å; K689-Y693 HydrophobicContact CG-CD2 4.42Å; K689-Y693 HydrophobicContact CG-CE2 3.9Å; K689-Y693 VanDerWaalsContact O-CD2 3.3Å; K689-Y693 WeakPolarHBondContact O-CD2 3.37Å |
| 690 | A | 85.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P651 F686 A687 A688 Q692 Y693 W694 H737 | P651-A690 HydrophobicContact CB-CB 3.6Å; P651-A690 HydrophobicContact CG-CB 3.64Å; F686-A690 WeakPolarHBondContact O-CB 3.19Å; F686-A690 PolarHBondContact O-N 3.11Å; A687-A690 PolarHBondContact O-N 2.76Å; A688-A690 VanDerWaalsContact C-N 3.31Å; A688-A690 PolarHBondContact O-N 3.03Å; A690-Q692 PolarHBondContact O-N 2.92Å; A690-Q692 VanDerWaalsContact O-N 3.1Å; A690-Y693 PolarHBondContact O-N 3.49Å; A690-Y693 VanDerWaalsContact O-N 3.09Å; A690-W694 HydrophobicContact CB-CE3 4.24Å; A690-W694 PolarHBondContact O-N 2.8Å; A690-H737 HydrophobicContact CB-CB 4.45Å |
| 691 | S | 84 | Confident | 82.4 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -19.2 | 177.3 | 76.3 | 0 | 0 | 0 | 0 | 114 | A687 A688 K689 | A687-S691 PolarHBondContact O-N 2.98Å; A688-S691 PolarHBondContact O-N 3.09Å; A688-S691 PolarHBondContact O-OG 3.18Å; K689-S691 VanDerWaalsContact C-N 3.3Å; K689-S691 PolarHBondContact O-N 2.67Å |
| 692 | Q | 83.4 | Confident | 80.8 | Confident | 100 Ų | 100 | 56 Ų | 56 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81 | -26.8 | 178.1 | -57.3 | 179.6 | -2 | 0 | 0 | 112.9 | K689 A690 | K689-Q692 WeakPolarHBondContact O-CB 3.15Å; K689-Q692 PolarHBondContact O-N 2.9Å; K689-Q692 VanDerWaalsContact O-N 3.12Å; A690-Q692 PolarHBondContact O-N 2.92Å; A690-Q692 VanDerWaalsContact O-N 3.1Å |
| 693 | Y | 83.1 | Confident | 78.2 | Confident | 126 Ų | 126 | 59.1 Ų | 59.1 | 49% | 0.494 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -118.3 | -26.7 | -171.6 | -57.9 | -72.1 | 0 | 0 | 0 | 113.8 | K689 A690 | K689-Y693 HydrophobicContact CG-CD2 4.42Å; K689-Y693 HydrophobicContact CG-CE2 3.9Å; K689-Y693 VanDerWaalsContact O-CD2 3.3Å; K689-Y693 WeakPolarHBondContact O-CD2 3.37Å; A690-Y693 PolarHBondContact O-N 3.49Å; A690-Y693 VanDerWaalsContact O-N 3.09Å |
| 694 | W | 83 | Confident | 75.6 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | trans | -132.4 | 135.4 | -175.5 | -61.2 | -84.8 | 0 | 0 | 0 | 112.5 | L646 H647 P651 A690 H737 | L646-W694 HydrophobicContact CD2-CZ3 3.95Å; L646-W694 HydrophobicContact CG-CH2 4.25Å; L646-W694 HydrophobicContact CG-CZ3 3.95Å; H647-W694 AromaticContact CE1-CH2 3.44Å; H647-W694 VanDerWaalsContact CE1-CH2 3.44Å; H647-W694 WeakPolarHBondContact CE1-CH2 3.04Å; H647-W694 AromaticContact CE1-CZ2 3.96Å; H647-W694 AromaticContact CG-CH2 3.88Å; H647-W694 AromaticContact ND1-CH2 3.19Å; H647-W694 WeakPolarHBondContact ND1-CH2 3.27Å; H647-W694 AromaticContact ND1-CZ2 3.47Å; H647-W694 WeakPolarHBondContact ND1-CZ2 3.39Å; P651-W694 HydrophobicContact CG-CB 4.46Å; P651-W694 HydrophobicContact CG-CD2 4.01Å; P651-W694 HydrophobicContact CG-CE3 3.71Å; P651-W694 HydrophobicContact CG-CG 4.34Å; P651-W694 HydrophobicContact CG-CZ3 4.27Å; A690-W694 HydrophobicContact CB-CE3 4.24Å; A690-W694 PolarHBondContact O-N 2.8Å; W694-H737 PolarHBondContact O-NE2 2.99Å | ||
| 695 | T | 81.3 | Confident | 72.6 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 75% | 0.748 | 37% | 0.368 | S | S | * | . | trans | -79.3 | 131 | 162.8 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 696 | P | 79.3 | Confident | 69.9 | Low | 17 Ų | 17 | 75 Ų | 75 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | trans | -61.6 | 137.5 | 178.3 | 22.8 | -29.9 | 0 | 0 | 0 | 111.3 | I698 N733 L736 | P696-I698 HydrophobicContact CB-CD1 4.25Å; P696-I698 PolarHBondContact O-N 3.48Å; P696-N733 WeakPolarHBondContact CD-OD1 3.42Å; P696-N733 HydrophobicContact CG-CB 4.2Å; P696-N733 WeakPolarHBondContact CG-OD1 3.31Å; P696-L736 HydrophobicContact CB-CB 3.99Å; P696-L736 HydrophobicContact CG-CB 3.82Å; P696-L736 HydrophobicContact CG-CD1 3.87Å | ||
| 697 | A | 78.5 | Confident | 66.8 | Low | 95 Ų | 95 | 80.3 Ų | 80.3 | 79% | 0.785 | 44% | 0.438 | S | S | * | . | trans | -81.6 | 49.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 698 | I | 78.9 | Confident | 63.8 | Low | 17 Ų | 17 | 85.7 Ų | 85.7 | 9% | 0.087 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.6 | -176.3 | -62.2 | 160 | 0 | 0 | 0 | 108.9 | L9 L11 W18 P696 R700 L736 | L9-I698 HydrophobicContact CB-CG1 4.25Å; L9-I698 WeakPolarHBondContact O-CA 3.41Å; L11-I698 HydrophobicContact CG-CG2 4.15Å; W18-I698 HydrophobicContact CH2-CD1 3.71Å; W18-I698 HydrophobicContact CH2-CG1 4.08Å; W18-I698 HydrophobicContact CH2-CG2 4.24Å; W18-I698 HydrophobicContact CZ2-CG2 4.02Å; W18-I698 HydrophobicContact CZ3-CD1 4.4Å; P696-I698 HydrophobicContact CB-CD1 4.25Å; P696-I698 PolarHBondContact O-N 3.48Å; I698-R700 PolarHBondContact O-N 2.79Å; I698-L736 HydrophobicContact CD1-CB 4.02Å; I698-L736 HydrophobicContact CD1-CD2 3.95Å |
| 699 | I | 77.8 | Confident | 61 | Low | 78 Ų | 78 | 91 Ų | 91 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 121.2 | 176.8 | -58.2 | 172.6 | 0 | 0 | 0 | 108.3 | C8 L9 C10 L11 | C8-I699 HydrophobicContact CB-CD1 3.73Å; C8-I699 HydrophobicContact CB-CG1 4.4Å; L9-I699 PolarHBondContact O-N 2.96Å; C10-I699 WeakPolarHBondContact CA-O 3.41Å; C10-I699 HydrophobicContact CB-CB 4.22Å; C10-I699 PolarHBondContact SG-O 3.29Å; L11-I699 PolarHBondContact N-O 2.98Å |
| 700 | R | 73.4 | Confident | 58.1 | Low | 71 Ų | 71 | 98 Ų | 98 | 27% | 0.268 | 54% | 0.539 | S | S | . | . | trans | -83.2 | -40.1 | -176.3 | -55 | -156.6 | -169.2 | 165.7 | -2.1 | 113.8 | L11 I698 D729 N733 D891 | L11-R700 HydrophobicContact CD1-CB 4.24Å; L11-R700 HydrophobicContact CD1-CG 4.22Å; I698-R700 PolarHBondContact O-N 2.79Å; R700-D729 IonicContact CZ-OD1 2.68Å; R700-D729 IonicContact NH1-OD1 3.3Å; R700-D729 IonicContact NH2-OD1 3.64Å; R700-D729 PolarHBondContact NH2-OD1 3.44Å; R700-N733 PolarHBondContact NH2-OD1 3.13Å; R700-D891 WeakPolarHBondContact CD-OD2 3.39Å; R700-D891 IonicContact NE-OD2 2.96Å; R700-D891 IonicContact NH1-OD2 2.84Å; R700-D891 PolarHBondContact NH1-OD2 3.14Å | ||
| 701 | T | 58.1 | Low | 55.1 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 58% | 0.577 | 58% | 0.575 | S | S | * | * | trans | -141.5 | 130.3 | 177.5 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | A703 | T701-A703 PolarHBondContact O-N 3.14Š| ||
| 702 | R | 49.7 | Very low | 52.2 | Low | 195 Ų | 195 | 112.4 Ų | 112.4 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | trans | -77.6 | 81.1 | 176.6 | -129.7 | -178.1 | -167.1 | 164.9 | 6.2 | 110 | ||||
| 703 | A | 34.9 | Very low | 49.5 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 60% | 0.603 | 62% | 0.623 | S | S | * | * | trans | -69.7 | 128.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | T701 N705 | T701-A703 PolarHBondContact O-N 3.14Å; A703-N705 PolarHBondContact O-N 2.79Å; A703-N705 VanDerWaalsContact O-N 3.07Å | ||
| 704 | P | 33.3 | Very low | 46.6 | Very low | 123 Ų | 123 | 115 Ų | 115 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -74 | 2 | -170 | 27.2 | -32.4 | 0 | 0 | 0 | 114.9 | ||
| 705 | N | 25.2 | Very low | 43.8 | Very low | 138 Ų | 138 | 119.6 Ų | 119.6 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | trans | -143.5 | 105 | -178.4 | -72.1 | -46.5 | 0 | 0 | 0 | 111.1 | A703 | A703-N705 PolarHBondContact O-N 2.79Å; A703-N705 VanDerWaalsContact O-N 3.07Å | ||
| 706 | L | 31 | Very low | 41 | Very low | 164 Ų | 164 | 118.4 Ų | 118.4 | 86% | 0.859 | 66% | 0.661 | S | S | * | * | trans | -165 | 115.7 | 148.4 | -103.2 | 144.2 | 0 | 0 | 0 | 111.7 | ||||
| 707 | S | 23.8 | Very low | 38.3 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | trans | -88.5 | 140.8 | 158.5 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 708 | C | 26.6 | Very low | 35.8 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | 71.1 | 142.9 | 177.7 | -128.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 709 | V | 25 | Very low | 33.2 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | cis | -149.8 | 137.3 | 43.7 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | S711 | V709-S711 PolarHBondContact O-N 3.12Š| ||
| 710 | Q | 23.9 | Very low | 30.8 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 103.7 | 162.2 | -70.5 | 173.1 | -22.5 | 0 | 0 | 109.9 | ||||
| 711 | S | 23.7 | Very low | 28.5 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -106.8 | 112.7 | 162.5 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | V709 | V709-S711 PolarHBondContact O-N 3.12Š| ||
| 712 | R | 22.4 | Very low | 27 | Very low | 215 Ų | 215 | 135.8 Ų | 135.8 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -41.5 | 140.7 | 161.4 | -94.7 | 171.3 | 161.3 | 165.2 | -5.2 | 110.7 | Q714 | R712-Q714 PolarHBondContact O-N 3.34Å; R712-Q714 VanDerWaalsContact O-N 3.09Å | ||
| 713 | P | 26.9 | Very low | 26.1 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -75.9 | 96.8 | 157 | 31.4 | -25.1 | 0 | 0 | 0 | 106.8 | ||||
| 714 | Q | 22.8 | Very low | 26.4 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -78.6 | 115.3 | 159.8 | -87 | -167.8 | -32.4 | 0 | 0 | 107.5 | R712 S716 | R712-Q714 PolarHBondContact O-N 3.34Å; R712-Q714 VanDerWaalsContact O-N 3.09Å; Q714-S716 PolarHBondContact O-N 3.08Å | ||
| 715 | L | 23.1 | Very low | 26.6 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | trans | -50.2 | 109.3 | 153 | -89.3 | 93.4 | 0 | 0 | 0 | 107.3 | ||||
| 716 | S | 23 | Very low | 27.8 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -125.8 | 110.7 | 158.6 | 55.6 | 0 | 0 | 0 | 0 | 107.7 | Q714 A718 | Q714-S716 PolarHBondContact O-N 3.08Å; S716-A718 PolarHBondContact O-N 2.83Å; S716-A718 VanDerWaalsContact O-N 3.1Å | ||
| 717 | L | 23.2 | Very low | 28.8 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 97% | 0.974 | 76% | 0.756 | S | S | * | * | trans | -59.8 | 101.3 | 162.9 | -139.9 | 87.5 | 0 | 0 | 0 | 106.2 | ||||
| 718 | A | 24.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -125.6 | 99 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | S716 | S716-A718 PolarHBondContact O-N 2.83Å; S716-A718 VanDerWaalsContact O-N 3.1Å | ||
| 719 | T | 25.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | -59.5 | 143.3 | 162.5 | 15.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 720 | S | 26 | Very low | 34.4 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | 90.8 | 124.5 | 154.6 | 74.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 721 | T | 26.1 | Very low | 36.9 | Very low | 139 Ų | 139 | 117 Ų | 117 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | trans | 80.9 | 76.7 | 155.6 | 63.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 722 | A | 26.4 | Very low | 39.6 | Very low | 82 Ų | 82 | 112.2 Ų | 112.2 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | trans | -154.8 | 67.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111 | T724 | A722-T724 PolarHBondContact O-N 3.03Š| ||
| 723 | T | 30.7 | Very low | 42.6 | Very low | 130 Ų | 130 | 102.8 Ų | 102.8 | 80% | 0.798 | 60% | 0.6 | S | S | * | * | trans | -89.3 | 96 | 175 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 724 | T | 40.8 | Very low | 45.3 | Very low | 134 Ų | 134 | 97.2 Ų | 97.2 | 82% | 0.822 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 161.4 | -11 | 150.6 | 48.8 | 0 | 0 | 0 | 0 | 113 | A722 | A722-T724 PolarHBondContact O-N 3.03Š|
| 725 | R | 38 | Very low | 48.4 | Very low | 212 Ų | 212 | 90 Ų | 90 | 80% | 0.8 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -102.1 | -1.9 | -177.5 | -121.2 | 176.7 | -178.7 | 163.2 | -0.7 | 115.3 | ||
| 726 | S | 51.3 | Low | 51.5 | Low | 56 Ų | 56 | 81.4 Ų | 81.4 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -98.3 | -5.8 | -168.2 | 65.2 | 0 | 0 | 0 | 0 | 115.2 | K730 | S726-K730 VanDerWaalsContact O-CD 3.24Å; S726-K730 WeakPolarHBondContact O-CD 3.28Å; S726-K730 VanDerWaalsContact O-CE 3.28Å; S726-K730 WeakPolarHBondContact O-CE 3.29Å; S726-K730 WeakPolarHBondContact O-CG 3.3Å |
| 727 | T | 52.3 | Low | 54.7 | Low | 55 Ų | 55 | 77.1 Ų | 77.1 | 34% | 0.337 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -85.7 | -41.7 | -173.6 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | K730 | T727-K730 WeakPolarHBondContact O-CB 3.45Å; T727-K730 PolarHBondContact O-N 3.22Å |
| 728 | D | 52.9 | Low | 57.9 | Low | 91 Ų | 91 | 68.4 Ų | 68.4 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -77.4 | -37.8 | -170.6 | -58.7 | -9 | 0 | 0 | 0 | 111.3 | K730 S731 | D728-K730 PolarHBondContact O-N 3.19Å; D728-S731 PolarHBondContact O-N 2.6Å; D728-S731 PolarHBondContact O-OG 3.48Å |
| 729 | D | 66.4 | Low | 61.1 | Low | 64 Ų | 64 | 64 Ų | 64 | 34% | 0.342 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -24.2 | 174.1 | -130.6 | -18.5 | 0 | 0 | 0 | 112.1 | R700 N733 | R700-D729 IonicContact CZ-OD1 2.68Å; R700-D729 IonicContact NH1-OD1 3.3Å; R700-D729 IonicContact NH2-OD1 3.64Å; R700-D729 PolarHBondContact NH2-OD1 3.44Å; D729-N733 VanDerWaalsContact O-CB 3.31Å; D729-N733 WeakPolarHBondContact O-CB 3.26Å; D729-N733 PolarHBondContact O-N 3.25Å; D729-N733 PolarHBondContact O-ND2 3.23Å |
| 730 | K | 72.1 | Confident | 64.2 | Low | 62 Ų | 62 | 58 Ų | 58 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.2 | -38 | 176.9 | -75.6 | 173.6 | -170.1 | -179.9 | 0 | 112 | E628 S726 T727 D728 N733 S734 | E628-K730 IonicContact OE1-NZ 3.06Å; E628-K730 PolarHBondContact OE1-NZ 3.08Å; S726-K730 VanDerWaalsContact O-CD 3.24Å; S726-K730 WeakPolarHBondContact O-CD 3.28Å; S726-K730 VanDerWaalsContact O-CE 3.28Å; S726-K730 WeakPolarHBondContact O-CE 3.29Å; S726-K730 WeakPolarHBondContact O-CG 3.3Å; T727-K730 WeakPolarHBondContact O-CB 3.45Å; T727-K730 PolarHBondContact O-N 3.22Å; D728-K730 PolarHBondContact O-N 3.19Å; K730-N733 PolarHBondContact O-N 3.03Å; K730-S734 WeakPolarHBondContact O-CB 3.32Å; K730-S734 PolarHBondContact O-N 3.01Å; K730-S734 PolarHBondContact O-OG 2.85Å |
| 731 | S | 76.2 | Confident | 67.2 | Low | 33 Ų | 33 | 52.9 Ų | 52.9 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | -176.6 | 59 | 0 | 0 | 0 | 0 | 111.9 | D728 S734 A735 | D728-S731 PolarHBondContact O-N 2.6Å; D728-S731 PolarHBondContact O-OG 3.48Å; S731-S734 WeakPolarHBondContact CA-OG 3.42Å; S731-S734 PolarHBondContact O-N 2.82Å; S731-S734 PolarHBondContact O-OG 2.92Å; S731-A735 PolarHBondContact O-N 2.78Å |
| 732 | I | 81.6 | Confident | 70.4 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 177.6 | -146.2 | 167.3 | 0 | 0 | 0 | 110.9 | S734 A735 L736 D891 E892 | I732-S734 VanDerWaalsContact C-N 3.34Å; I732-S734 PolarHBondContact O-N 3.39Å; I732-A735 WeakPolarHBondContact O-CB 3.43Å; I732-A735 PolarHBondContact O-N 2.79Å; I732-L736 WeakPolarHBondContact O-CB 3.44Å; I732-L736 VanDerWaalsContact O-CG 3.3Å; I732-L736 WeakPolarHBondContact O-CG 3.25Å; I732-L736 PolarHBondContact O-N 3.27Å; I732-D891 HydrophobicContact CD1-CB 3.6Å; I732-E892 HydrophobicContact CD1-CB 4.39Å; I732-E892 HydrophobicContact CD1-CG 3.49Å; I732-E892 VanDerWaalsContact CD1-CG 3.49Å; I732-E892 HydrophobicContact CG1-CG 4.06Å |
| 733 | N | 84.1 | Confident | 73.5 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.7 | -77 | -36.7 | 0 | 0 | 0 | 112 | P696 R700 D729 K730 L736 H737 | P696-N733 WeakPolarHBondContact CD-OD1 3.42Å; P696-N733 HydrophobicContact CG-CB 4.2Å; P696-N733 WeakPolarHBondContact CG-OD1 3.31Å; R700-N733 PolarHBondContact NH2-OD1 3.13Å; D729-N733 VanDerWaalsContact O-CB 3.31Å; D729-N733 WeakPolarHBondContact O-CB 3.26Å; D729-N733 PolarHBondContact O-N 3.25Å; D729-N733 PolarHBondContact O-ND2 3.23Å; K730-N733 PolarHBondContact O-N 3.03Å; N733-L736 PolarHBondContact O-N 3.41Å; N733-H737 PolarHBondContact O-CD2 3.38Å; N733-H737 PolarHBondContact O-N 3.07Å |
| 734 | S | 85.3 | Confident | 76.3 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.8 | 66 | 0 | 0 | 0 | 0 | 111.2 | K730 S731 I732 H737 L738 W854 | K730-S734 WeakPolarHBondContact O-CB 3.32Å; K730-S734 PolarHBondContact O-N 3.01Å; K730-S734 PolarHBondContact O-OG 2.85Å; S731-S734 WeakPolarHBondContact CA-OG 3.42Å; S731-S734 PolarHBondContact O-N 2.82Å; S731-S734 PolarHBondContact O-OG 2.92Å; I732-S734 VanDerWaalsContact C-N 3.34Å; I732-S734 PolarHBondContact O-N 3.39Å; S734-H737 PolarHBondContact O-N 3.2Å; S734-L738 PolarHBondContact O-N 2.78Å; S734-L738 VanDerWaalsContact O-N 3.09Å; S734-W854 VanDerWaalsContact O-CZ3 3.3Å; S734-W854 WeakPolarHBondContact O-CZ3 3.25Å; S734-W854 WeakPolarHBondContact OG-CZ3 3.37Å |
| 735 | A | 87.3 | Confident | 78.8 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S731 I732 L738 F739 W854 L895 | S731-A735 PolarHBondContact O-N 2.78Å; I732-A735 WeakPolarHBondContact O-CB 3.43Å; I732-A735 PolarHBondContact O-N 2.79Å; A735-L738 PolarHBondContact O-N 2.91Å; A735-F739 WeakPolarHBondContact O-CB 3.25Å; A735-F739 PolarHBondContact O-N 3.33Å; A735-W854 HydrophobicContact CB-CB 4.45Å; A735-W854 WeakPolarHBondContact CB-O 3.38Å; A735-L895 HydrophobicContact CB-CD2 3.61Å |
| 736 | L | 88.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 178.1 | -74.3 | 169.9 | 0 | 0 | 0 | 112.9 | L11 P696 I698 I732 N733 F739 S740 L895 | L11-L736 HydrophobicContact CD1-CD2 4.36Å; L11-L736 HydrophobicContact CD2-CD2 4.18Å; L11-L736 HydrophobicContact CG-CD2 4.49Å; P696-L736 HydrophobicContact CB-CB 3.99Å; P696-L736 HydrophobicContact CG-CB 3.82Å; P696-L736 HydrophobicContact CG-CD1 3.87Å; I698-L736 HydrophobicContact CD1-CB 4.02Å; I698-L736 HydrophobicContact CD1-CD2 3.95Å; I732-L736 WeakPolarHBondContact O-CB 3.44Å; I732-L736 VanDerWaalsContact O-CG 3.3Å; I732-L736 WeakPolarHBondContact O-CG 3.25Å; I732-L736 PolarHBondContact O-N 3.27Å; N733-L736 PolarHBondContact O-N 3.41Å; L736-F739 PolarHBondContact O-N 2.95Å; L736-S740 VanDerWaalsContact O-CB 3.27Å; L736-S740 WeakPolarHBondContact O-CB 3.4Å; L736-S740 PolarHBondContact O-N 3Å; L736-L895 HydrophobicContact CD2-CD1 3.98Å; L736-L895 HydrophobicContact CD2-CD2 4.26Å; L736-L895 HydrophobicContact CG-CD2 4.43Å |
| 737 | H | 89.5 | Confident | 83.1 | Confident | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 173.8 | -78.5 | -62.3 | 0 | 0 | 0 | 111.7 | I655 A687 A690 W694 N733 S734 S740 G741 | I655-H737 HydrophobicContact CD1-CB 4.17Å; I655-H737 VanDerWaalsContact CD1-O 3.31Å; I655-H737 WeakPolarHBondContact CD1-O 3.38Å; A687-H737 HydrophobicContact CB-CB 4.49Å; A690-H737 HydrophobicContact CB-CB 4.45Å; W694-H737 PolarHBondContact O-NE2 2.99Å; N733-H737 PolarHBondContact O-CD2 3.38Å; N733-H737 PolarHBondContact O-N 3.07Å; S734-H737 PolarHBondContact O-N 3.2Å; H737-S740 PolarHBondContact O-N 2.93Å; H737-G741 PolarHBondContact O-N 3.48Å |
| 738 | L | 91.1 | Very high | 84.7 | Confident | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 175.8 | -176 | 65.3 | 0 | 0 | 0 | 111.1 | I655 L684 A687 S734 A735 G741 I742 W854 F855 | I655-L738 HydrophobicContact CG2-CD1 4.1Å; L684-L738 HydrophobicContact CD2-CD1 4.29Å; L684-L738 HydrophobicContact CD2-CD2 3.69Å; A687-L738 HydrophobicContact CB-CB 3.87Å; A687-L738 HydrophobicContact CB-CD1 4.39Å; S734-L738 PolarHBondContact O-N 2.78Å; S734-L738 VanDerWaalsContact O-N 3.09Å; A735-L738 PolarHBondContact O-N 2.91Å; L738-G741 PolarHBondContact O-N 3.01Å; L738-I742 HydrophobicContact CG-CD1 4.11Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.29Å; L738-I742 PolarHBondContact O-N 3.07Å; L738-W854 HydrophobicContact CB-CE3 4.18Å; L738-W854 HydrophobicContact CB-CZ3 4.47Å; L738-W854 HydrophobicContact CD2-CB 4.25Å; L738-W854 HydrophobicContact CD2-CD2 4.29Å; L738-W854 HydrophobicContact CD2-CE3 3.92Å; L738-W854 HydrophobicContact CD2-CG 4.43Å; L738-F855 HydrophobicContact CB-CZ 4.29Å; L738-F855 HydrophobicContact CD2-CE1 4.26Å; L738-F855 HydrophobicContact CD2-CE2 4.19Å; L738-F855 HydrophobicContact CD2-CZ 3.63Å; L738-F855 HydrophobicContact CG-CZ 3.84Å |
| 739 | F | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | -179.9 | -164.9 | -95.7 | 0 | 0 | 0 | 112.3 | W18 A735 L736 G741 I742 C743 F855 L895 L898 A899 L902 | W18-F739 HydrophobicContact CE3-CD1 4.22Å; W18-F739 HydrophobicContact CE3-CE1 4.04Å; W18-F739 AromaticContact CH2-CD1 3.89Å; W18-F739 HydrophobicContact CH2-CD1 3.89Å; W18-F739 HydrophobicContact CH2-CE1 4.22Å; W18-F739 AromaticContact CZ3-CD1 3.53Å; W18-F739 HydrophobicContact CZ3-CD1 3.53Å; W18-F739 AromaticContact CZ3-CE1 3.79Å; W18-F739 HydrophobicContact CZ3-CE1 3.79Å; A735-F739 WeakPolarHBondContact O-CB 3.25Å; A735-F739 PolarHBondContact O-N 3.33Å; L736-F739 PolarHBondContact O-N 2.95Å; F739-G741 PolarHBondContact O-N 3.49Å; F739-I742 WeakPolarHBondContact O-CB 3.45Å; F739-I742 PolarHBondContact O-N 2.83Å; F739-C743 WeakPolarHBondContact CE1-SG 3.49Å; F739-C743 PolarHBondContact O-N 3.08Å; F739-C743 PolarHBondContact O-SG 3.31Å; F739-F855 HydrophobicContact CB-CE1 3.77Å; F739-F855 HydrophobicContact CB-CZ 4.23Å; F739-F855 HydrophobicContact CD2-CD1 4.32Å; F739-F855 AromaticContact CD2-CE1 3.88Å; F739-F855 HydrophobicContact CD2-CE1 3.88Å; F739-F855 HydrophobicContact CD2-CZ 4.04Å; F739-F855 HydrophobicContact CG-CE1 4.31Å; F739-L895 HydrophobicContact CB-CD1 4.05Å; F739-L895 HydrophobicContact CD1-CD1 4.22Å; F739-L895 HydrophobicContact CD2-CD1 4.27Å; F739-L895 HydrophobicContact CG-CD1 3.89Å; F739-L898 HydrophobicContact CE1-CD2 3.6Å; F739-L898 HydrophobicContact CZ-CB 4.32Å; F739-L898 HydrophobicContact CZ-CD2 3.65Å; F739-A899 HydrophobicContact CD2-CB 4.31Å; F739-A899 HydrophobicContact CE2-CB 3.78Å; F739-L902 HydrophobicContact CE1-CD2 4.49Å; F739-L902 HydrophobicContact CE2-CB 4.41Å; F739-L902 HydrophobicContact CE2-CD2 3.66Å; F739-L902 HydrophobicContact CZ-CB 4.1Å; F739-L902 HydrophobicContact CZ-CD2 3.59Å; F739-L902 HydrophobicContact CZ-CG 4.46Å |
| 740 | S | 90 | Very high | 87.3 | Confident | 5 Ų | 5 | 7.5 Ų | 7.5 | 4% | 0.035 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -57.1 | -47.4 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | D652 L736 H737 I742 C743 L744 | D652-S740 VanDerWaalsContact OD1-CB 3.27Å; D652-S740 WeakPolarHBondContact OD1-CB 3.42Å; D652-S740 PolarHBondContact OD1-OG 3.17Å; D652-S740 PolarHBondContact OD2-OG 3.33Å; L736-S740 VanDerWaalsContact O-CB 3.27Å; L736-S740 WeakPolarHBondContact O-CB 3.4Å; L736-S740 PolarHBondContact O-N 3Å; H737-S740 PolarHBondContact O-N 2.93Å; S740-I742 PolarHBondContact O-N 2.89Å; S740-C743 PolarHBondContact O-N 3.16Å; S740-L744 WeakPolarHBondContact O-CB 3.27Å; S740-L744 PolarHBondContact O-N 3.29Å |
| 741 | G | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H737 L738 F739 L744 F745 | H737-G741 PolarHBondContact O-N 3.48Å; L738-G741 PolarHBondContact O-N 3.01Å; F739-G741 PolarHBondContact O-N 3.49Å; G741-L744 PolarHBondContact O-N 2.91Å; G741-F745 PolarHBondContact O-N 2.88Å |
| 742 | I | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 173.1 | -72 | 171 | 0 | 0 | 0 | 110.7 | L659 L738 F739 S740 L744 F745 L746 L840 L843 I844 F855 L902 | L659-I742 HydrophobicContact CD1-CB 4.33Å; L659-I742 HydrophobicContact CD1-CG1 3.62Å; L738-I742 HydrophobicContact CG-CD1 4.11Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.29Å; L738-I742 PolarHBondContact O-N 3.07Å; F739-I742 WeakPolarHBondContact O-CB 3.45Å; F739-I742 PolarHBondContact O-N 2.83Å; S740-I742 PolarHBondContact O-N 2.89Å; I742-L744 VanDerWaalsContact C-N 3.3Å; I742-L744 PolarHBondContact O-N 3.06Å; I742-F745 PolarHBondContact O-N 3.02Å; I742-L746 PolarHBondContact O-N 2.83Å; I742-L840 HydrophobicContact CG2-CD2 3.41Å; I742-L840 VanDerWaalsContact CG2-CD2 3.41Å; I742-L840 HydrophobicContact CG2-CG 4.28Å; I742-L843 HydrophobicContact CD1-CD2 3.71Å; I742-L843 HydrophobicContact CG1-CD2 4.18Å; I742-I844 HydrophobicContact CD1-CG1 4.36Å; I742-I844 HydrophobicContact CG2-CD1 3.95Å; I742-I844 HydrophobicContact CG2-CG1 4.29Å; I742-F855 HydrophobicContact CD1-CE2 3.9Å; I742-F855 HydrophobicContact CD1-CZ 3.74Å; I742-L902 HydrophobicContact CG2-CD2 4.07Å |
| 743 | C | 91.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 4.3 Ų | 4.3 | 2% | 0.02 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -64 | -35.5 | 177.1 | -71 | 0 | 0 | 0 | 0 | 112.1 | W18 L22 F739 S740 L746 A747 | W18-C743 HydrophobicContact CE3-CB 4.05Å; L22-C743 HydrophobicContact CD1-CB 3.65Å; F739-C743 WeakPolarHBondContact CE1-SG 3.49Å; F739-C743 PolarHBondContact O-N 3.08Å; F739-C743 PolarHBondContact O-SG 3.31Å; S740-C743 PolarHBondContact O-N 3.16Å; C743-L746 PolarHBondContact O-N 2.89Å; C743-A747 WeakPolarHBondContact O-CB 3.5Å; C743-A747 PolarHBondContact O-N 2.86Å |
| 744 | L | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 175 | -168.2 | 73.4 | 0 | 0 | 0 | 111.4 | L22 D652 E653 C656 S740 G741 I742 L746 A747 R748 | L22-L744 HydrophobicContact CD2-CD1 3.98Å; D652-L744 HydrophobicContact CB-CD2 3.87Å; E653-L744 HydrophobicContact CG-CD2 4.49Å; C656-L744 HydrophobicContact CB-CD2 4.02Å; C656-L744 HydrophobicContact CB-CG 4.49Å; S740-L744 WeakPolarHBondContact O-CB 3.27Å; S740-L744 PolarHBondContact O-N 3.29Å; G741-L744 PolarHBondContact O-N 2.91Å; I742-L744 VanDerWaalsContact C-N 3.3Å; I742-L744 PolarHBondContact O-N 3.06Å; L744-L746 VanDerWaalsContact C-N 3.33Å; L744-L746 PolarHBondContact O-N 2.91Å; L744-A747 WeakPolarHBondContact O-CB 3.47Å; L744-A747 PolarHBondContact O-N 3Å; L744-R748 PolarHBondContact O-N 3.14Å |
| 745 | F | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 175 | 178.7 | -128.6 | 0 | 0 | 0 | 111.4 | I565 C656 L659 A660 A663 G741 I742 A747 R748 I749 Y839 L840 | I565-F745 HydrophobicContact CD1-CD2 3.63Å; I565-F745 HydrophobicContact CD1-CE2 3.73Å; I565-F745 HydrophobicContact CG1-CE2 4.46Å; C656-F745 HydrophobicContact CB-CB 4.4Å; C656-F745 VanDerWaalsContact SG-CA 3.59Å; L659-F745 HydrophobicContact CB-CD1 3.9Å; L659-F745 HydrophobicContact CB-CE1 4.32Å; L659-F745 HydrophobicContact CB-CG 4.14Å; L659-F745 HydrophobicContact CD1-CB 4.38Å; A660-F745 VanDerWaalsContact CA-CE2 3.47Å; A660-F745 HydrophobicContact CB-CD2 4.01Å; A660-F745 HydrophobicContact CB-CE2 3.52Å; A660-F745 HydrophobicContact CB-CZ 4.28Å; A663-F745 HydrophobicContact CB-CE1 4.04Å; A663-F745 HydrophobicContact CB-CZ 3.68Å; G741-F745 PolarHBondContact O-N 2.88Å; I742-F745 PolarHBondContact O-N 3.02Å; F745-A747 PolarHBondContact O-N 2.8Å; F745-R748 PolarHBondContact O-N 2.99Å; F745-I749 HydrophobicContact CD1-CD1 4.08Å; F745-I749 HydrophobicContact CD2-CD1 4Å; F745-I749 HydrophobicContact CD2-CG1 4.37Å; F745-I749 HydrophobicContact CE1-CD1 3.62Å; F745-I749 HydrophobicContact CE2-CD1 3.53Å; F745-I749 HydrophobicContact CE2-CG1 3.99Å; F745-I749 HydrophobicContact CG-CD1 4.24Å; F745-I749 HydrophobicContact CZ-CD1 3.32Å; F745-I749 HydrophobicContact CZ-CG1 4.26Å; F745-I749 WeakPolarHBondContact O-CG1 3.38Å; F745-I749 PolarHBondContact O-N 3.38Å; F745-Y839 HydrophobicContact CE1-CD1 4.45Å; F745-L840 HydrophobicContact CD1-CD1 3.28Å; F745-L840 HydrophobicContact CD1-CG 4.06Å; F745-L840 HydrophobicContact CE1-CD1 3.7Å; F745-L840 HydrophobicContact CE1-CG 4.37Å; F745-L840 HydrophobicContact CG-CD1 4.26Å |
| 746 | L | 91.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 173.4 | 179.8 | 61.7 | 0 | 0 | 0 | 111.8 | L19 I742 C743 L744 R748 I749 A750 I837 L840 L902 L906 | L19-L746 HydrophobicContact CD1-CD2 4.24Å; L19-L746 HydrophobicContact CD1-CG 3.92Å; I742-L746 PolarHBondContact O-N 2.83Å; C743-L746 PolarHBondContact O-N 2.89Å; L744-L746 VanDerWaalsContact C-N 3.33Å; L744-L746 PolarHBondContact O-N 2.91Å; L746-R748 VanDerWaalsContact C-N 3.29Å; L746-R748 PolarHBondContact O-N 3.05Å; L746-I749 PolarHBondContact O-N 2.81Å; L746-A750 WeakPolarHBondContact O-CB 3.36Å; L746-A750 PolarHBondContact O-N 2.79Å; L746-I837 HydrophobicContact CD1-CD1 3.5Å; L746-L840 HydrophobicContact CB-CD1 4.12Å; L746-L902 HydrophobicContact CD2-CD1 3.73Å; L746-L906 HydrophobicContact CD1-CD2 3.6Å; L746-L906 HydrophobicContact CD2-CD2 3.92Å; L746-L906 HydrophobicContact CG-CD2 4.35Å |
| 747 | A | 88.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L19 L22 L23 C743 L744 F745 A750 R751 | L19-A747 HydrophobicContact CD1-CB 3.81Å; L22-A747 HydrophobicContact CB-CB 3.72Å; L22-A747 HydrophobicContact CD1-CB 4.34Å; L23-A747 VanDerWaalsContact CD2-O 3.23Å; L23-A747 WeakPolarHBondContact CD2-O 3.48Å; L23-A747 HydrophobicContact CG-CB 4.43Å; C743-A747 WeakPolarHBondContact O-CB 3.5Å; C743-A747 PolarHBondContact O-N 2.86Å; L744-A747 WeakPolarHBondContact O-CB 3.47Å; L744-A747 PolarHBondContact O-N 3Å; F745-A747 PolarHBondContact O-N 2.8Å; A747-A750 PolarHBondContact O-N 3.18Å; A747-R751 PolarHBondContact O-N 2.77Å |
| 748 | R | 86 | Confident | 87 | Confident | 4 Ų | 4 | 13 Ų | 13 | 2% | 0.015 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | 178.6 | -68.3 | -157.1 | 171.4 | 141.9 | 23.2 | 113.5 | D26 V561 L562 I565 E653 L744 F745 L746 R751 | D26-R748 IonicContact OD2-NE 3.61Å; V561-R748 PolarHBondContact O-NH1 2.72Å; L562-R748 WeakPolarHBondContact O-CD 3.38Å; L562-R748 PolarHBondContact O-NE 2.96Å; I565-R748 HydrophobicContact CD1-CB 3.71Å; I565-R748 HydrophobicContact CD1-CG 4.49Å; E653-R748 IonicContact OE1-CZ 3.33Å; E653-R748 IonicContact OE1-NH2 3.07Å; E653-R748 PolarHBondContact OE1-NH2 2.79Å; E653-R748 IonicContact OE2-CZ 3.65Å; E653-R748 IonicContact OE2-NH1 3.69Å; E653-R748 PolarHBondContact OE2-NH1 2.94Å; E653-R748 IonicContact OE2-NH2 2.86Å; E653-R748 PolarHBondContact OE2-NH2 2.74Å; L744-R748 PolarHBondContact O-N 3.14Å; F745-R748 PolarHBondContact O-N 2.99Å; L746-R748 VanDerWaalsContact C-N 3.29Å; L746-R748 PolarHBondContact O-N 3.05Å; R748-R751 WeakPolarHBondContact O-CB 3.28Å; R748-R751 PolarHBondContact O-N 2.84Å |
| 749 | I | 86.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.6 | -45.6 | 175 | -59.8 | 164.6 | 0 | 0 | 0 | 109.6 | F745 L746 R751 S752 F753 L833 Q836 | F745-I749 HydrophobicContact CD1-CD1 4.08Å; F745-I749 HydrophobicContact CD2-CD1 4Å; F745-I749 HydrophobicContact CD2-CG1 4.37Å; F745-I749 HydrophobicContact CE1-CD1 3.62Å; F745-I749 HydrophobicContact CE2-CD1 3.53Å; F745-I749 HydrophobicContact CE2-CG1 3.99Å; F745-I749 HydrophobicContact CG-CD1 4.24Å; F745-I749 HydrophobicContact CZ-CD1 3.32Å; F745-I749 HydrophobicContact CZ-CG1 4.26Å; F745-I749 WeakPolarHBondContact O-CG1 3.38Å; F745-I749 PolarHBondContact O-N 3.38Å; L746-I749 PolarHBondContact O-N 2.81Å; I749-R751 PolarHBondContact O-N 2.95Å; I749-S752 PolarHBondContact O-N 3.09Å; I749-S752 VanDerWaalsContact O-N 3.11Å; I749-S752 PolarHBondContact O-OG 2.93Å; I749-F753 HydrophobicContact CG2-CE1 4.07Å; I749-L833 HydrophobicContact CG2-CD2 3.5Å; I749-Q836 HydrophobicContact CD1-CB 3.71Å; I749-Q836 HydrophobicContact CD1-CG 4.38Å; I749-Q836 HydrophobicContact CG2-CB 4.43Å |
| 750 | A | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.7 | -23.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L19 L746 A747 S752 F753 W754 | L19-A750 HydrophobicContact CD1-CB 3.91Å; L19-A750 HydrophobicContact CD2-CB 4.27Å; L746-A750 WeakPolarHBondContact O-CB 3.36Å; L746-A750 PolarHBondContact O-N 2.79Å; A747-A750 PolarHBondContact O-N 3.18Å; A750-S752 PolarHBondContact O-N 2.71Å; A750-S752 VanDerWaalsContact O-N 3.09Å; A750-F753 HydrophobicContact CB-CZ 4.33Å; A750-F753 PolarHBondContact O-N 2.93Å; A750-W754 HydrophobicContact CB-CB 3.99Å; A750-W754 WeakPolarHBondContact O-CB 3.37Å; A750-W754 PolarHBondContact O-N 2.7Å |
| 751 | R | 80.5 | Confident | 85.4 | Confident | 29 Ų | 29 | 17 Ų | 17 | 11% | 0.109 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.3 | 173.9 | -160.8 | -175.2 | -152.9 | 124.8 | 3.6 | 112.5 | L23 D26 N27 A747 R748 I749 Y756 | L23-R751 HydrophobicContact CD2-CB 4.08Å; L23-R751 HydrophobicContact CD2-CG 4.35Å; D26-R751 IonicContact OD2-NH1 3.85Å; N27-R751 PolarHBondContact OD1-NH2 3.5Å; A747-R751 PolarHBondContact O-N 2.77Å; R748-R751 WeakPolarHBondContact O-CB 3.28Å; R748-R751 PolarHBondContact O-N 2.84Å; I749-R751 PolarHBondContact O-N 2.95Å; R751-Y756 WeakPolarHBondContact O-CD2 3.48Å; R751-Y756 WeakPolarHBondContact O-CE2 3.42Å |
| 752 | S | 77.5 | Confident | 84.3 | Confident | 7 Ų | 7 | 17 Ų | 17 | 5% | 0.049 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22.6 | -179.8 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | I749 A750 R824 L833 | I749-S752 PolarHBondContact O-N 3.09Å; I749-S752 VanDerWaalsContact O-N 3.11Å; I749-S752 PolarHBondContact O-OG 2.93Å; A750-S752 PolarHBondContact O-N 2.71Å; A750-S752 VanDerWaalsContact O-N 3.09Å; S752-R824 PolarHBondContact O-NH1 2.91Å; S752-R824 PolarHBondContact O-NH2 3.49Å; S752-L833 WeakPolarHBondContact OG-CD2 3.34Å |
| 753 | F | 85.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | -20.7 | -169.6 | 68.4 | -104.5 | 0 | 0 | 0 | 116.9 | I749 A750 L833 I837 I909 L913 W916 I944 | I749-F753 HydrophobicContact CG2-CE1 4.07Å; A750-F753 HydrophobicContact CB-CZ 4.33Å; A750-F753 PolarHBondContact O-N 2.93Å; F753-L833 HydrophobicContact CD1-CD1 3.96Å; F753-L833 HydrophobicContact CD1-CD2 4.1Å; F753-L833 HydrophobicContact CE1-CD2 4.25Å; F753-I837 HydrophobicContact CZ-CD1 4.12Å; F753-I909 HydrophobicContact CE2-CG2 3.68Å; F753-I909 HydrophobicContact CZ-CG2 3.65Å; F753-L913 HydrophobicContact CE1-CD1 4.31Å; F753-L913 HydrophobicContact CG-CD2 4.38Å; F753-L913 HydrophobicContact CZ-CD1 4.29Å; F753-W916 HydrophobicContact CB-CZ3 4.33Å; F753-I944 HydrophobicContact CB-CD1 4.12Å; F753-I944 HydrophobicContact CD2-CB 4.39Å; F753-I944 HydrophobicContact CD2-CD1 3.42Å; F753-I944 VanDerWaalsContact CD2-CD1 3.42Å; F753-I944 HydrophobicContact CD2-CG1 4.46Å; F753-I944 HydrophobicContact CD2-CG2 4.39Å; F753-I944 HydrophobicContact CE2-CD1 4.2Å; F753-I944 HydrophobicContact CE2-CG2 4.39Å; F753-I944 HydrophobicContact CG-CD1 4.11Å |
| 754 | W | 86.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -65.4 | -48.8 | -166.2 | -175.6 | -110.5 | 0 | 0 | 0 | 113.9 | L19 N20 L23 A750 L905 I909 I944 E945 I948 | L19-W754 HydrophobicContact CD2-CD2 3.58Å; L19-W754 HydrophobicContact CD2-CE3 3.88Å; L19-W754 HydrophobicContact CD2-CG 4.09Å; L19-W754 HydrophobicContact CD2-CH2 4.12Å; L19-W754 HydrophobicContact CD2-CZ2 3.82Å; L19-W754 HydrophobicContact CD2-CZ3 4.11Å; N20-W754 PolarHBondContact OD1-NE1 3.27Å; N20-W754 VanDerWaalsContact OD1-NE1 3.14Å; L23-W754 HydrophobicContact CD1-CB 4.43Å; L23-W754 HydrophobicContact CD1-CG 4.27Å; A750-W754 HydrophobicContact CB-CB 3.99Å; A750-W754 WeakPolarHBondContact O-CB 3.37Å; A750-W754 PolarHBondContact O-N 2.7Å; W754-L905 HydrophobicContact CH2-CD1 4.12Å; W754-I909 HydrophobicContact CE3-CD1 4.25Å; W754-I909 HydrophobicContact CH2-CD1 4.48Å; W754-I909 HydrophobicContact CZ3-CD1 3.63Å; W754-I909 HydrophobicContact CZ3-CG1 3.85Å; W754-I944 HydrophobicContact CE3-CG2 3.88Å; W754-I944 HydrophobicContact CZ3-CG2 3.89Å; W754-E945 HydrophobicContact CD2-CB 4.22Å; W754-E945 HydrophobicContact CG-CB 4.39Å; W754-E945 HydrophobicContact CZ2-CB 4.13Å; W754-E945 HydrophobicContact CZ2-CG 4.15Å; W754-E945 WeakPolarHBondContact O-CB 3.47Å; W754-E945 PolarHBondContact O-N 2.9Å; W754-I948 HydrophobicContact CH2-CB 4.27Å; W754-I948 HydrophobicContact CH2-CD1 3.76Å; W754-I948 HydrophobicContact CH2-CG2 4.25Å; W754-I948 HydrophobicContact CZ3-CD1 3.51Å |
| 755 | R | 83.3 | Confident | 79.5 | Confident | 115 Ų | 115 | 23.3 Ų | 23.3 | 43% | 0.434 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -100.1 | 0.2 | -178.5 | -63.7 | -157 | 158.5 | 160.6 | 0.2 | 114.5 | N20 T943 E945 | N20-R755 VanDerWaalsContact CG-NH2 3.29Å; N20-R755 PolarHBondContact OD1-NH2 3.2Å; R755-T943 WeakPolarHBondContact O-CG2 3.32Å; R755-E945 VanDerWaalsContact CG-OE2 3.31Å; R755-E945 WeakPolarHBondContact CG-OE2 3.48Å; R755-E945 IonicContact CZ-OE2 2.91Å; R755-E945 IonicContact NE-OE2 3.58Å; R755-E945 PolarHBondContact NE-OE2 3.17Å; R755-E945 IonicContact NH2-OE1 2.62Å; R755-E945 IonicContact NH2-OE2 3.91Å |
| 756 | Y | 79.9 | Confident | 77.2 | Confident | 72 Ų | 72 | 24.3 Ų | 24.3 | 28% | 0.282 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -100.2 | 149.3 | -175.7 | -67.2 | -78.5 | 0 | 0 | 0 | 110.1 | E535 R751 | E535-Y756 HydrophobicContact CB-CE1 4.49Å; E535-Y756 VanDerWaalsContact CD-CZ 3.43Å; E535-Y756 HydrophobicContact CG-CD1 4.47Å; E535-Y756 HydrophobicContact CG-CE1 3.95Å; E535-Y756 VanDerWaalsContact OE1-CD1 3.24Å; E535-Y756 WeakPolarHBondContact OE1-CD1 3.39Å; E535-Y756 WeakPolarHBondContact OE1-CE1 3.5Å; E535-Y756 WeakPolarHBondContact OE2-CE1 3.42Å; E535-Y756 PolarHBondContact OE2-OH 2.84Å; R751-Y756 WeakPolarHBondContact O-CD2 3.48Å; R751-Y756 WeakPolarHBondContact O-CE2 3.42Å |
| 757 | S | 83.6 | Confident | 74.8 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -65 | 146.5 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | F759 R824 L940 L942 | S757-F759 VanDerWaalsContact C-N 3.3Å; S757-F759 PolarHBondContact OG-N 3.28Å; S757-F759 PolarHBondContact OG-O 2.49Å; S757-F759 VanDerWaalsContact OG-O 3.12Å; S757-R824 WeakPolarHBondContact O-CD 3.39Å; S757-R824 PolarHBondContact O-NE 3.35Å; S757-L940 VanDerWaalsContact CB-O 3.26Å; S757-L940 WeakPolarHBondContact CB-O 3.36Å; S757-L940 PolarHBondContact OG-O 2.94Å; S757-L942 WeakPolarHBondContact CA-O 3.49Å |
| 758 | M | 83.1 | Confident | 72.5 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -72.3 | -27.3 | 174.3 | -66.5 | 173.1 | 59.2 | 0 | 0 | 112 | R824 W916 L942 I944 | M758-R824 WeakPolarHBondContact O-CB 3.5Å; M758-R824 PolarHBondContact O-N 3.47Å; M758-W916 HydrophobicContact CB-CD2 4.46Å; M758-W916 HydrophobicContact CB-CZ2 4.29Å; M758-W916 HydrophobicContact CE-CB 3.54Å; M758-W916 HydrophobicContact CE-CD2 3.87Å; M758-W916 HydrophobicContact CE-CE3 4.48Å; M758-W916 HydrophobicContact CE-CG 3.42Å; M758-W916 VanDerWaalsContact CE-CG 3.42Å; M758-W916 HydrophobicContact CG-CD2 4.38Å; M758-W916 HydrophobicContact CG-CE3 4.49Å; M758-W916 VanDerWaalsContact O-CZ2 3.27Å; M758-W916 WeakPolarHBondContact O-CZ2 3.12Å; M758-L942 PolarHBondContact N-O 3.15Å; M758-I944 HydrophobicContact CG-CG1 4.46Å; M758-I944 HydrophobicContact SD-CG1 4.37Å |
| 759 | F | 85.8 | Confident | 70.1 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.3 | -172.9 | -52.6 | -71.8 | 0 | 0 | 0 | 112.1 | S757 I821 I822 L919 V924 M928 A939 L940 L1018 | S757-F759 VanDerWaalsContact C-N 3.3Å; S757-F759 PolarHBondContact OG-N 3.28Å; S757-F759 PolarHBondContact OG-O 2.49Å; S757-F759 VanDerWaalsContact OG-O 3.12Å; F759-I821 HydrophobicContact CB-CG2 3.89Å; F759-I822 WeakPolarHBondContact CA-O 3.21Å; F759-L919 HydrophobicContact CZ-CD1 4.16Å; F759-V924 HydrophobicContact CD1-CG1 3.82Å; F759-V924 HydrophobicContact CE1-CG1 3.83Å; F759-M928 HydrophobicContact CD2-CE 4.44Å; F759-A939 HydrophobicContact CD2-CB 4.44Å; F759-L940 HydrophobicContact CB-CD2 4.25Å; F759-L1018 HydrophobicContact CE2-CD1 3.94Å; F759-L1018 HydrophobicContact CZ-CD1 4.25Å; F759-L1018 HydrophobicContact CZ-CD2 4.34Å |
| 760 | Y | 76.5 | Confident | 67.6 | Low | 53 Ų | 53 | 47.3 Ų | 47.3 | 21% | 0.208 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 142.5 | -179.8 | -176.1 | -102.6 | 0 | 0 | 0 | 111.7 | I538 I765 I821 I822 | I538-Y760 HydrophobicContact CD1-CD2 4.45Å; I538-Y760 HydrophobicContact CD1-CE2 3.53Å; I538-Y760 HydrophobicContact CG1-CE2 4.17Å; I538-Y760 HydrophobicContact CG2-CE2 4.08Å; Y760-I765 HydrophobicContact CE1-CD1 3.64Å; Y760-I765 HydrophobicContact CE1-CG1 4.44Å; Y760-I821 WeakPolarHBondContact O-CA 3.43Å; Y760-I822 PolarHBondContact N-O 2.93Å; Y760-I822 PolarHBondContact O-N 3.12Å |
| 761 | D | 75.5 | Confident | 65.2 | Low | 36 Ų | 36 | 50.3 Ų | 50.3 | 19% | 0.193 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 109.7 | 172.5 | -177.3 | -3.7 | 0 | 0 | 0 | 110.1 | T763 Q819 L940 | D761-T763 VanDerWaalsContact CG-OG1 3.28Å; D761-T763 WeakPolarHBondContact OD1-CB 3.36Å; D761-T763 WeakPolarHBondContact OD1-CG2 3.5Å; D761-T763 PolarHBondContact OD1-N 3.36Å; D761-T763 PolarHBondContact OD1-OG1 3.29Å; D761-T763 PolarHBondContact OD2-OG1 3.4Å; D761-Q819 WeakPolarHBondContact OD2-CG 3.25Å; D761-Q819 PolarHBondContact OD2-NE2 2.87Å; D761-L940 HydrophobicContact CB-CD2 4.39Å |
| 762 | A | 68.9 | Low | 62.9 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -85.7 | -3.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S764 I765 C766 L797 I820 I822 | A762-S764 VanDerWaalsContact C-N 3.33Å; A762-S764 PolarHBondContact O-N 3.36Å; A762-I765 WeakPolarHBondContact O-CB 3.36Å; A762-I765 PolarHBondContact O-N 2.98Å; A762-I765 VanDerWaalsContact O-N 3.09Å; A762-C766 PolarHBondContact O-N 3.49Å; A762-L797 HydrophobicContact CB-CD1 3.29Å; A762-I820 HydrophobicContact CB-CB 4.33Å; A762-I820 HydrophobicContact CB-CG2 4.09Å; A762-I820 WeakPolarHBondContact CB-O 3.4Å; A762-I820 PolarHBondContact N-O 3.47Å; A762-I822 HydrophobicContact CB-CD1 4.19Å; A762-I822 HydrophobicContact CB-CG1 4.29Å | ||
| 763 | T | 67 | Low | 61 | Low | 28 Ų | 28 | 61 Ų | 61 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.3 | -40.7 | -173.3 | 45 | 0 | 0 | 0 | 0 | 114.6 | D761 I765 C766 S767 V817 E818 Q819 I820 | D761-T763 VanDerWaalsContact CG-OG1 3.28Å; D761-T763 WeakPolarHBondContact OD1-CB 3.36Å; D761-T763 WeakPolarHBondContact OD1-CG2 3.5Å; D761-T763 PolarHBondContact OD1-N 3.36Å; D761-T763 PolarHBondContact OD1-OG1 3.29Å; D761-T763 PolarHBondContact OD2-OG1 3.4Å; T763-I765 PolarHBondContact O-N 3.35Å; T763-C766 PolarHBondContact O-N 3.32Å; T763-S767 PolarHBondContact O-N 2.88Å; T763-S767 VanDerWaalsContact O-N 3.08Å; T763-V817 HydrophobicContact CG2-CG1 4.32Å; T763-E818 WeakPolarHBondContact CG2-O 2.82Å; T763-Q819 VanDerWaalsContact CG2-CA 3.47Å; T763-Q819 HydrophobicContact CG2-CB 4.38Å; T763-Q819 HydrophobicContact CG2-CG 4.03Å; T763-I820 VanDerWaalsContact CG2-N 3.34Å |
| 764 | S | 53.5 | Low | 58.5 | Low | 65 Ų | 65 | 63.8 Ų | 63.8 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -21.4 | -178.1 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | A762 S767 | A762-S764 VanDerWaalsContact C-N 3.33Å; A762-S764 PolarHBondContact O-N 3.36Å; S764-S767 PolarHBondContact O-OG 3.09Å |
| 765 | I | 51.5 | Low | 55.9 | Low | 42 Ų | 42 | 68.4 Ų | 68.4 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -84.9 | -45 | -178.2 | -54.5 | -171.9 | 0 | 0 | 0 | 108.8 | Y760 A762 T763 S767 K768 C769 W793 | Y760-I765 HydrophobicContact CE1-CD1 3.64Å; Y760-I765 HydrophobicContact CE1-CG1 4.44Å; A762-I765 WeakPolarHBondContact O-CB 3.36Å; A762-I765 PolarHBondContact O-N 2.98Å; A762-I765 VanDerWaalsContact O-N 3.09Å; T763-I765 PolarHBondContact O-N 3.35Å; I765-S767 VanDerWaalsContact C-N 3.27Å; I765-S767 PolarHBondContact O-N 3.05Å; I765-K768 PolarHBondContact O-N 3.38Å; I765-K768 VanDerWaalsContact O-N 3.1Å; I765-C769 PolarHBondContact O-N 3.49Å; I765-W793 HydrophobicContact CD1-CH2 3.15Å; I765-W793 HydrophobicContact CD1-CZ2 4.04Å; I765-W793 HydrophobicContact CD1-CZ3 3.46Å; I765-W793 VanDerWaalsContact CD1-CZ3 3.46Å; I765-W793 HydrophobicContact CG1-CH2 4.37Å; I765-W793 HydrophobicContact CG2-CH2 3.94Å; I765-W793 HydrophobicContact CG2-CZ3 4.42Å |
| 766 | C | 44.7 | Very low | 53.4 | Low | 21 Ų | 21 | 66.2 Ų | 66.2 | 14% | 0.142 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.4 | -30.7 | 173 | -68.3 | 0 | 0 | 0 | 0 | 113.3 | A762 T763 K768 C769 V771 L801 | A762-C766 PolarHBondContact O-N 3.49Å; T763-C766 PolarHBondContact O-N 3.32Å; C766-K768 PolarHBondContact O-N 2.87Å; C766-C769 PolarHBondContact O-N 3.42Å; C766-V771 HydrophobicContact CB-CG2 4.34Å; C766-L801 VanDerWaalsContact SG-CD2 3.58Å |
| 767 | S | 40.4 | Very low | 51.1 | Low | 94 Ų | 94 | 67.3 Ų | 67.3 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.2 | 176.2 | 65.6 | 0 | 0 | 0 | 0 | 114 | T763 S764 I765 | T763-S767 PolarHBondContact O-N 2.88Å; T763-S767 VanDerWaalsContact O-N 3.08Å; S764-S767 PolarHBondContact O-OG 3.09Å; I765-S767 VanDerWaalsContact C-N 3.27Å; I765-S767 PolarHBondContact O-N 3.05Å |
| 768 | K | 39.4 | Very low | 48.3 | Very low | 180 Ų | 180 | 75 Ų | 75 | 78% | 0.783 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -24.6 | 176.6 | -77.5 | -178.2 | 176.1 | 179.1 | 0 | 113.4 | I765 C766 | I765-K768 PolarHBondContact O-N 3.38Å; I765-K768 VanDerWaalsContact O-N 3.1Å; C766-K768 PolarHBondContact O-N 2.87Å |
| 769 | C | 36.5 | Very low | 45.5 | Very low | 70 Ų | 70 | 81.8 Ų | 81.8 | 47% | 0.473 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -102 | 111.9 | -179.5 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | I765 C766 V771 | I765-C769 PolarHBondContact O-N 3.49Å; C766-C769 PolarHBondContact O-N 3.42Å; C769-V771 VanDerWaalsContact O-CG2 3.3Å; C769-V771 WeakPolarHBondContact O-CG2 2.83Å; C769-V771 PolarHBondContact O-N 2.94Å |
| 770 | N | 34.8 | Very low | 42.7 | Very low | 145 Ų | 145 | 87.3 Ų | 87.3 | 78% | 0.775 | 49% | 0.489 | S | S | * | . | trans | -68.6 | 101.2 | -177.2 | -141.9 | -1.9 | 0 | 0 | 0 | 109.7 | K772 | N770-K772 PolarHBondContact O-N 3.42Š| ||
| 771 | V | 34.6 | Very low | 40.2 | Very low | 62 Ų | 62 | 91.4 Ų | 91.4 | 38% | 0.376 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -63.1 | -0.9 | -162.7 | 178.7 | 0 | 0 | 0 | 0 | 115.8 | C766 C769 S773 L801 | C766-V771 HydrophobicContact CB-CG2 4.34Å; C769-V771 VanDerWaalsContact O-CG2 3.3Å; C769-V771 WeakPolarHBondContact O-CG2 2.83Å; C769-V771 PolarHBondContact O-N 2.94Å; V771-S773 VanDerWaalsContact C-N 3.28Å; V771-S773 PolarHBondContact O-N 3.28Å; V771-L801 HydrophobicContact CG1-CD2 4.24Å |
| 772 | K | 33.9 | Very low | 37.8 | Very low | 198 Ų | 198 | 94.8 Ų | 94.8 | 86% | 0.861 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -71 | -13.1 | -174.5 | -78.1 | -174.7 | 175.6 | -178.8 | 0 | 115.7 | N770 | N770-K772 PolarHBondContact O-N 3.42Š|
| 773 | S | 37.3 | Very low | 35.7 | Very low | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -105.9 | -13.4 | -169 | -174.7 | 0 | 0 | 0 | 0 | 115.6 | E142 V771 S775 | E142-S773 WeakPolarHBondContact OE2-CB 3.26Å; E142-S773 PolarHBondContact OE2-OG 3.08Å; V771-S773 VanDerWaalsContact C-N 3.28Å; V771-S773 PolarHBondContact O-N 3.28Å; S773-S775 PolarHBondContact O-N 3.46Å; S773-S775 VanDerWaalsContact O-N 3.12Å |
| 774 | M | 32.4 | Very low | 33.7 | Very low | 61 Ų | 61 | 108.1 Ų | 108.1 | 30% | 0.3 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -77.8 | 4.8 | -172.4 | -94.8 | 167.5 | 52.7 | 0 | 0 | 115.9 | G776 I798 L801 | M774-G776 VanDerWaalsContact C-N 3.25Å; M774-G776 PolarHBondContact O-N 3.18Å; M774-I798 VanDerWaalsContact CE-CA 3.48Å; M774-I798 HydrophobicContact CE-CB 3.72Å; M774-I798 HydrophobicContact CE-CG1 3.33Å; M774-I798 HydrophobicContact CE-CG2 3.91Å; M774-I798 HydrophobicContact SD-CG1 4.31Å; M774-L801 HydrophobicContact CE-CB 4.18Å; M774-L801 HydrophobicContact CE-CD1 3.55Å; M774-L801 HydrophobicContact SD-CD1 4.47Å |
| 775 | S | 32.3 | Very low | 32.4 | Very low | 97 Ų | 97 | 110 Ų | 110 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -76.3 | -5.5 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | S773 | S773-S775 PolarHBondContact O-N 3.46Å; S773-S775 VanDerWaalsContact O-N 3.12Å |
| 776 | G | 30.1 | Very low | 31.3 | Very low | 69 Ų | 69 | 111.2 Ų | 111.2 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -85.3 | -12.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117 | M774 K778 | M774-G776 VanDerWaalsContact C-N 3.25Å; M774-G776 PolarHBondContact O-N 3.18Å; G776-K778 PolarHBondContact O-N 3.09Å |
| 777 | I | 31.2 | Very low | 30.7 | Very low | 95 Ų | 95 | 114.3 Ų | 114.3 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | trans | -95.3 | 83 | -175.3 | -53.4 | 175.2 | 0 | 0 | 0 | 109.4 | D522 | D522-I777 WeakPolarHBondContact OD2-CD1 3.29Š| ||
| 778 | K | 24.4 | Very low | 30.3 | Very low | 187 Ų | 187 | 112.2 Ų | 112.2 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | trans | -94.4 | 115.7 | 166.1 | -80.7 | -178.3 | 172.7 | 178.2 | 0 | 109.8 | G776 | G776-K778 PolarHBondContact O-N 3.09Š| ||
| 779 | N | 25.5 | Very low | 30.2 | Very low | 147 Ų | 147 | 105.3 Ų | 105.3 | 79% | 0.786 | 62% | 0.624 | S | S | * | * | trans | 51.4 | 89.1 | 155.9 | -65.3 | -7.2 | 0 | 0 | 0 | 118.4 | ||||
| 780 | T | 25.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 103.6 Ų | 103.6 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | trans | -128.4 | 74.7 | 150.4 | 39 | 0 | 0 | 0 | 0 | 110.1 | T782 | T780-T782 PolarHBondContact O-N 2.9Š| ||
| 781 | T | 24.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 100.4 Ų | 100.4 | 85% | 0.847 | 59% | 0.587 | S | S | * | * | trans | -76.9 | 88.4 | 163.2 | 45.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 782 | T | 25.3 | Very low | 31.6 | Very low | 107 Ų | 107 | 97.8 Ų | 97.8 | 66% | 0.656 | 57% | 0.571 | S | S | * | * | trans | -90 | 128.8 | 167.9 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | T780 I784 | T780-T782 PolarHBondContact O-N 2.9Å; T782-I784 PolarHBondContact O-N 2.98Å | ||
| 783 | N | 24 | Very low | 32.5 | Very low | 174 Ų | 174 | 91 Ų | 91 | 93% | 0.93 | 54% | 0.54 | S | S | * | . | trans | -58.5 | 94.1 | 172.1 | -81.5 | -33.5 | 0 | 0 | 0 | 110 | ||||
| 784 | I | 25.2 | Very low | 33.2 | Very low | 134 Ų | 134 | 90.1 Ų | 90.1 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | trans | -96 | 118.1 | 166.4 | -63.1 | 175.3 | 0 | 0 | 0 | 107.3 | T782 S786 | T782-I784 PolarHBondContact O-N 2.98Å; I784-S786 PolarHBondContact O-N 2.95Å | ||
| 785 | S | 26.9 | Very low | 34.1 | Very low | 104 Ų | 104 | 95 Ų | 95 | 73% | 0.727 | 55% | 0.547 | S | S | * | . | trans | -48.3 | 127.2 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | N787 | S785-N787 PolarHBondContact O-N 3.25Å; S785-N787 VanDerWaalsContact O-N 3.08Å | ||
| 786 | S | 27.7 | Very low | 35 | Very low | 68 Ų | 68 | 91.6 Ų | 91.6 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -31.6 | 103.1 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | I784 | I784-S786 PolarHBondContact O-N 2.95Š|
| 787 | N | 31.9 | Very low | 36.1 | Very low | 87 Ų | 87 | 89 Ų | 89 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | trans | -151.5 | 105.4 | 148.8 | -96.2 | -18.3 | 0 | 0 | 0 | 106.1 | Q518 S785 | Q518-N787 PolarHBondContact NE2-O 3.42Å; Q518-N787 PolarHBondContact OE1-O 3.28Å; S785-N787 PolarHBondContact O-N 3.25Å; S785-N787 VanDerWaalsContact O-N 3.08Å | ||
| 788 | G | 31.6 | Very low | 37.2 | Very low | 50 Ų | 50 | 86 Ų | 86 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | trans | -67.6 | 126.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 789 | G | 37.7 | Very low | 38.5 | Very low | 34 Ų | 34 | 83.9 Ų | 83.9 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | trans | -130.3 | 132.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109 | R791 | G789-R791 PolarHBondContact O-N 2.9Š| ||
| 790 | L | 40.1 | Very low | 40 | Very low | 34 Ų | 34 | 77 Ų | 77 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -74.8 | 73.3 | -172.6 | -77 | 163.1 | 0 | 0 | 0 | 112.8 | Y531 L566 L825 E829 | Y531-L790 HydrophobicContact CD1-CB 4.36Å; Y531-L790 WeakPolarHBondContact CD2-O 3.26Å; Y531-L790 HydrophobicContact CE1-CB 4.16Å; Y531-L790 HydrophobicContact CE2-CB 4.33Å; Y531-L790 WeakPolarHBondContact CE2-O 3.39Å; Y531-L790 HydrophobicContact CG-CB 4.5Å; L566-L790 HydrophobicContact CD2-CD1 3.82Å; L790-L825 HydrophobicContact CD2-CD2 3.43Å; L790-L825 VanDerWaalsContact CD2-CD2 3.43Å; L790-E829 VanDerWaalsContact CA-OE1 3.26Å; L790-E829 WeakPolarHBondContact CA-OE1 3.46Å |
| 791 | R | 43.1 | Very low | 41.1 | Very low | 79 Ų | 79 | 71.8 Ų | 71.8 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | trans | -149 | 69.8 | 175.4 | -72.1 | -165.3 | 172.9 | -152.3 | -8.1 | 112.7 | N526 D527 L528 G530 Y531 G789 E829 | N526-R791 PolarHBondContact O-NH1 2.61Å; D527-R791 PolarHBondContact O-NH2 3.23Å; L528-R791 PolarHBondContact O-NH2 2.83Å; G530-R791 VanDerWaalsContact CA-NH2 3.32Å; Y531-R791 HydrophobicContact CD2-CG 4.17Å; G789-R791 PolarHBondContact O-N 2.9Å; R791-E829 PolarHBondContact N-OE1 3.08Å; R791-E829 VanDerWaalsContact N-OE1 3.11Å | ||
| 792 | S | 52.3 | Low | 42.3 | Very low | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | trans | -125.1 | -14 | -173.1 | 73.7 | 0 | 0 | 0 | 0 | 117 | V794 R795 E826 E829 | S792-V794 PolarHBondContact O-N 3.47Å; S792-R795 PolarHBondContact O-N 3.42Å; S792-E826 WeakPolarHBondContact CB-OE2 3.44Å; S792-E826 VanDerWaalsContact OG-CB 3.31Å; S792-E826 WeakPolarHBondContact OG-CB 3.48Å; S792-E826 PolarHBondContact OG-N 3.17Å; S792-E829 VanDerWaalsContact OG-CD 3.25Å; S792-E829 PolarHBondContact OG-OE1 2.95Å; S792-E829 PolarHBondContact OG-OE2 3.27Å | ||
| 793 | W | 53 | Low | 43.5 | Very low | 57 Ų | 57 | 64.2 Ų | 64.2 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.9 | -26.3 | -169.2 | 77.3 | -85.9 | 0 | 0 | 0 | 114.3 | I765 R795 S796 L797 I822 | I765-W793 HydrophobicContact CD1-CH2 3.15Å; I765-W793 HydrophobicContact CD1-CZ2 4.04Å; I765-W793 HydrophobicContact CD1-CZ3 3.46Å; I765-W793 VanDerWaalsContact CD1-CZ3 3.46Å; I765-W793 HydrophobicContact CG1-CH2 4.37Å; I765-W793 HydrophobicContact CG2-CH2 3.94Å; I765-W793 HydrophobicContact CG2-CZ3 4.42Å; W793-R795 VanDerWaalsContact C-N 3.35Å; W793-R795 PolarHBondContact O-N 3.42Å; W793-S796 PolarHBondContact O-N 3Å; W793-L797 HydrophobicContact CE3-CB 4.36Å; W793-L797 HydrophobicContact CZ3-CB 4.33Å; W793-L797 HydrophobicContact CZ3-CD1 4.17Å; W793-L797 HydrophobicContact CZ3-CD2 4.17Å; W793-L797 HydrophobicContact CZ3-CG 4.45Å; W793-L797 WeakPolarHBondContact O-CB 3.5Å; W793-L797 PolarHBondContact O-N 3.46Å; W793-I822 HydrophobicContact CE3-CD1 3.83Å; W793-I822 HydrophobicContact CZ3-CD1 4.48Å |
| 794 | V | 51.9 | Low | 44.7 | Very low | 42 Ų | 42 | 58.4 Ų | 58.4 | 26% | 0.255 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | S792 L797 I798 | S792-V794 PolarHBondContact O-N 3.47Å; V794-L797 WeakPolarHBondContact O-CB 3.33Å; V794-L797 PolarHBondContact O-N 3.03Å; V794-I798 HydrophobicContact CG1-CD1 3.81Å; V794-I798 HydrophobicContact CG1-CG1 4.32Å; V794-I798 WeakPolarHBondContact O-CD1 3.37Å; V794-I798 WeakPolarHBondContact O-CG1 3.48Å; V794-I798 PolarHBondContact O-N 2.94Å |
| 795 | R | 51.8 | Low | 45.7 | Very low | 164 Ų | 164 | 55.6 Ų | 55.6 | 62% | 0.619 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | 175.3 | -80.4 | -173.8 | 178.2 | 133.6 | 1.4 | 111.8 | S792 W793 L797 I798 Y799 E826 | S792-R795 PolarHBondContact O-N 3.42Å; W793-R795 VanDerWaalsContact C-N 3.35Å; W793-R795 PolarHBondContact O-N 3.42Å; R795-L797 VanDerWaalsContact C-N 3.3Å; R795-L797 PolarHBondContact O-N 3.44Å; R795-I798 PolarHBondContact O-N 2.98Å; R795-Y799 WeakPolarHBondContact O-CB 3.25Å; R795-Y799 PolarHBondContact O-N 3.28Å; R795-E826 WeakPolarHBondContact CB-OE1 3.31Å |
| 796 | S | 50.4 | Low | 46.4 | Very low | 26 Ų | 26 | 55.8 Ų | 55.8 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -39 | 176.3 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | W793 T800 | W793-S796 PolarHBondContact O-N 3Å; S796-T800 VanDerWaalsContact O-CB 3.32Å; S796-T800 WeakPolarHBondContact O-CB 3.46Å; S796-T800 PolarHBondContact O-N 3.03Å; S796-T800 PolarHBondContact O-OG1 3.27Å |
| 797 | L | 53.6 | Low | 46.7 | Very low | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 172.1 | -176.5 | 94.3 | 0 | 0 | 0 | 112 | A762 W793 V794 R795 Y799 T800 L801 I822 | A762-L797 HydrophobicContact CB-CD1 3.29Å; W793-L797 HydrophobicContact CE3-CB 4.36Å; W793-L797 HydrophobicContact CZ3-CB 4.33Å; W793-L797 HydrophobicContact CZ3-CD1 4.17Å; W793-L797 HydrophobicContact CZ3-CD2 4.17Å; W793-L797 HydrophobicContact CZ3-CG 4.45Å; W793-L797 WeakPolarHBondContact O-CB 3.5Å; W793-L797 PolarHBondContact O-N 3.46Å; V794-L797 WeakPolarHBondContact O-CB 3.33Å; V794-L797 PolarHBondContact O-N 3.03Å; R795-L797 VanDerWaalsContact C-N 3.3Å; R795-L797 PolarHBondContact O-N 3.44Å; L797-Y799 VanDerWaalsContact C-N 3.33Å; L797-Y799 PolarHBondContact O-N 3.14Å; L797-T800 PolarHBondContact O-N 2.64Å; L797-L801 HydrophobicContact CD1-CD1 4.44Å; L797-L801 HydrophobicContact CD2-CD1 3.91Å; L797-L801 HydrophobicContact CG-CD1 3.78Å; L797-L801 HydrophobicContact CG-CG 4.41Å; L797-L801 WeakPolarHBondContact O-CB 3.01Å; L797-L801 WeakPolarHBondContact O-CG 3.24Å; L797-L801 PolarHBondContact O-N 3.24Å; L797-I822 HydrophobicContact CB-CD1 4.13Å; L797-I822 HydrophobicContact CD1-CD1 4.06Å |
| 798 | I | 53.8 | Low | 46.7 | Very low | 33 Ų | 33 | 60.8 Ų | 60.8 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 179.4 | -68 | 159.9 | 0 | 0 | 0 | 110.4 | M774 V794 R795 L801 S802 | M774-I798 VanDerWaalsContact CE-CA 3.48Å; M774-I798 HydrophobicContact CE-CB 3.72Å; M774-I798 HydrophobicContact CE-CG1 3.33Å; M774-I798 HydrophobicContact CE-CG2 3.91Å; M774-I798 HydrophobicContact SD-CG1 4.31Å; V794-I798 HydrophobicContact CG1-CD1 3.81Å; V794-I798 HydrophobicContact CG1-CG1 4.32Å; V794-I798 WeakPolarHBondContact O-CD1 3.37Å; V794-I798 WeakPolarHBondContact O-CG1 3.48Å; V794-I798 PolarHBondContact O-N 2.94Å; R795-I798 PolarHBondContact O-N 2.98Å; I798-L801 PolarHBondContact O-N 2.72Å; I798-S802 PolarHBondContact O-N 3.47Å |
| 799 | Y | 53.4 | Low | 46.5 | Very low | 142 Ų | 142 | 63 Ų | 63 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.2 | -48.5 | 177.4 | -173.2 | -100 | 0 | 0 | 0 | 111.3 | R795 L797 L801 S802 T803 V923 | R795-Y799 WeakPolarHBondContact O-CB 3.25Å; R795-Y799 PolarHBondContact O-N 3.28Å; L797-Y799 VanDerWaalsContact C-N 3.33Å; L797-Y799 PolarHBondContact O-N 3.14Å; Y799-L801 PolarHBondContact O-N 2.83Å; Y799-S802 PolarHBondContact O-N 3.15Å; Y799-S802 PolarHBondContact O-OG 3.36Å; Y799-T803 HydrophobicContact CE1-CG2 4.37Å; Y799-T803 PolarHBondContact O-N 2.95Å; Y799-T803 VanDerWaalsContact O-N 3.12Å; Y799-V923 HydrophobicContact CE1-CG2 3.9Å |
| 800 | T | 55.2 | Low | 46.1 | Very low | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.025 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 177.8 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | S796 L797 S802 T803 V804 I820 I822 V923 H925 | S796-T800 VanDerWaalsContact O-CB 3.32Å; S796-T800 WeakPolarHBondContact O-CB 3.46Å; S796-T800 PolarHBondContact O-N 3.03Å; S796-T800 PolarHBondContact O-OG1 3.27Å; L797-T800 PolarHBondContact O-N 2.64Å; T800-S802 VanDerWaalsContact C-N 3.34Å; T800-S802 PolarHBondContact O-N 2.93Å; T800-T803 PolarHBondContact O-N 2.68Å; T800-T803 PolarHBondContact O-OG1 3.17Å; T800-V804 HydrophobicContact CG2-CG2 4.39Å; T800-V804 VanDerWaalsContact O-CG2 3.29Å; T800-V804 WeakPolarHBondContact O-CG2 3.35Å; T800-V804 PolarHBondContact O-N 3.11Å; T800-I820 HydrophobicContact CG2-CG2 4.15Å; T800-I822 HydrophobicContact CG2-CG2 4.1Å; T800-V923 HydrophobicContact CG2-CG1 4.45Å; T800-H925 HydrophobicContact CG2-CB 3.77Å |
| 801 | L | 50.3 | Low | 45.7 | Very low | 11 Ų | 11 | 72.8 Ų | 72.8 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 176.8 | -75.6 | 167.5 | 0 | 0 | 0 | 112.5 | C766 V771 M774 L797 I798 Y799 T803 V804 S805 I820 | C766-L801 VanDerWaalsContact SG-CD2 3.58Å; V771-L801 HydrophobicContact CG1-CD2 4.24Å; M774-L801 HydrophobicContact CE-CB 4.18Å; M774-L801 HydrophobicContact CE-CD1 3.55Å; M774-L801 HydrophobicContact SD-CD1 4.47Å; L797-L801 HydrophobicContact CD1-CD1 4.44Å; L797-L801 HydrophobicContact CD2-CD1 3.91Å; L797-L801 HydrophobicContact CG-CD1 3.78Å; L797-L801 HydrophobicContact CG-CG 4.41Å; L797-L801 WeakPolarHBondContact O-CB 3.01Å; L797-L801 WeakPolarHBondContact O-CG 3.24Å; L797-L801 PolarHBondContact O-N 3.24Å; I798-L801 PolarHBondContact O-N 2.72Å; Y799-L801 PolarHBondContact O-N 2.83Å; L801-T803 VanDerWaalsContact C-N 3.3Å; L801-T803 PolarHBondContact O-N 2.85Å; L801-V804 PolarHBondContact O-N 3.34Å; L801-S805 VanDerWaalsContact O-CB 3.24Å; L801-S805 WeakPolarHBondContact O-CB 3.4Å; L801-S805 PolarHBondContact O-N 2.61Å; L801-S805 PolarHBondContact O-OG 3.47Å; L801-I820 HydrophobicContact CD2-CD1 3.9Å |
| 802 | S | 49.1 | Very low | 45.1 | Very low | 50 Ų | 50 | 74.4 Ų | 74.4 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 175 | 79.2 | 0 | 0 | 0 | 0 | 111.6 | I798 Y799 T800 S805 | I798-S802 PolarHBondContact O-N 3.47Å; Y799-S802 PolarHBondContact O-N 3.15Å; Y799-S802 PolarHBondContact O-OG 3.36Å; T800-S802 VanDerWaalsContact C-N 3.34Å; T800-S802 PolarHBondContact O-N 2.93Å; S802-S805 PolarHBondContact O-N 3.37Å; S802-S805 PolarHBondContact O-OG 2.77Å |
| 803 | T | 51.1 | Low | 44 | Very low | 36 Ų | 36 | 81.2 Ų | 81.2 | 22% | 0.221 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -75.6 | -24.4 | 177.9 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | Y799 T800 L801 T806 V923 | Y799-T803 HydrophobicContact CE1-CG2 4.37Å; Y799-T803 PolarHBondContact O-N 2.95Å; Y799-T803 VanDerWaalsContact O-N 3.12Å; T800-T803 PolarHBondContact O-N 2.68Å; T800-T803 PolarHBondContact O-OG1 3.17Å; L801-T803 VanDerWaalsContact C-N 3.3Å; L801-T803 PolarHBondContact O-N 2.85Å; T803-T806 PolarHBondContact O-OG1 3.11Å; T803-T806 VanDerWaalsContact O-OG1 3.11Å; T803-V923 HydrophobicContact CG2-CG2 4.17Å |
| 804 | V | 49 | Very low | 43.2 | Very low | 53 Ų | 53 | 85.9 Ų | 85.9 | 32% | 0.321 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -83.7 | -31.5 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | T800 L801 T806 F807 | T800-V804 HydrophobicContact CG2-CG2 4.39Å; T800-V804 VanDerWaalsContact O-CG2 3.29Å; T800-V804 WeakPolarHBondContact O-CG2 3.35Å; T800-V804 PolarHBondContact O-N 3.11Å; L801-V804 PolarHBondContact O-N 3.34Å; V804-T806 VanDerWaalsContact C-N 3.26Å; V804-T806 PolarHBondContact O-N 3.35Å; V804-F807 PolarHBondContact O-N 2.84Å |
| 805 | S | 45.8 | Very low | 42.5 | Very low | 75 Ų | 75 | 88.6 Ų | 88.6 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.6 | -15.9 | -177.7 | 73.3 | 0 | 0 | 0 | 0 | 115.1 | L801 S802 F807 | L801-S805 VanDerWaalsContact O-CB 3.24Å; L801-S805 WeakPolarHBondContact O-CB 3.4Å; L801-S805 PolarHBondContact O-N 2.61Å; L801-S805 PolarHBondContact O-OG 3.47Å; S802-S805 PolarHBondContact O-N 3.37Å; S802-S805 PolarHBondContact O-OG 2.77Å; S805-F807 PolarHBondContact O-N 3.46Å |
| 806 | T | 42.2 | Very low | 42.2 | Very low | 107 Ų | 107 | 86.2 Ų | 86.2 | 66% | 0.656 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -6.8 | 177.9 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | T803 V804 | T803-T806 PolarHBondContact O-OG1 3.11Å; T803-T806 VanDerWaalsContact O-OG1 3.11Å; V804-T806 VanDerWaalsContact C-N 3.26Å; V804-T806 PolarHBondContact O-N 3.35Å |
| 807 | F | 33.4 | Very low | 42.4 | Very low | 190 Ų | 190 | 90.6 Ų | 90.6 | 83% | 0.833 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -119.3 | 98.9 | 174.2 | -85.8 | -90.7 | 0 | 0 | 0 | 111 | V804 S805 | V804-F807 PolarHBondContact O-N 2.84Å; S805-F807 PolarHBondContact O-N 3.46Å |
| 808 | G | 32.4 | Very low | 42.8 | Very low | 71 Ų | 71 | 94.7 Ų | 94.7 | 73% | 0.732 | 58% | 0.581 | S | S | * | * | trans | 134.1 | 64.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | G810 | G808-G810 VanDerWaalsContact C-N 3.28Å; G808-G810 PolarHBondContact O-N 3.4Å; G808-G810 VanDerWaalsContact O-N 3.1Å | ||
| 809 | G | 28 | Very low | 43.5 | Very low | 96 Ų | 96 | 96.8 Ų | 96.8 | 99% | 0.99 | 59% | 0.59 | S | S | * | * | trans | -73 | 83 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 810 | G | 28.8 | Very low | 44.4 | Very low | 64 Ų | 64 | 90.8 Ų | 90.8 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | trans | -156 | 128 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G808 | G808-G810 VanDerWaalsContact C-N 3.28Å; G808-G810 PolarHBondContact O-N 3.4Å; G808-G810 VanDerWaalsContact O-N 3.1Å | ||
| 811 | K | 31.1 | Very low | 45.5 | Very low | 210 Ų | 210 | 90.7 Ų | 90.7 | 91% | 0.913 | 57% | 0.567 | S | S | * | * | trans | -57.5 | 138.6 | -173.2 | -74.3 | 172.3 | 175.3 | 173 | 0 | 113.1 | N813 | K811-N813 PolarHBondContact O-N 3.37Š| ||
| 812 | S | 30.5 | Very low | 47 | Very low | 113 Ų | 113 | 90.2 Ų | 90.2 | 79% | 0.79 | 57% | 0.565 | S | S | * | * | trans | -33.9 | 118.6 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 813 | N | 30.3 | Very low | 48.5 | Very low | 148 Ų | 148 | 88 Ų | 88 | 79% | 0.791 | 55% | 0.549 | S | S | * | . | trans | -125.6 | 135.4 | 145.1 | -89.9 | -18.4 | 0 | 0 | 0 | 107.6 | K811 S815 | K811-N813 PolarHBondContact O-N 3.37Å; N813-S815 PolarHBondContact O-N 3.26Å; N813-S815 PolarHBondContact O-OG 2.64Å | ||
| 814 | T | 36.3 | Very low | 49.9 | Very low | 156 Ų | 156 | 87.7 Ų | 87.7 | 96% | 0.957 | 54% | 0.544 | S | S | * | . | trans | -66.2 | 63.9 | -177.9 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 815 | S | 35.8 | Very low | 51.1 | Low | 99 Ų | 99 | 85.2 Ų | 85.2 | 69% | 0.692 | 53% | 0.529 | S | S | * | . | trans | -90.8 | 140.9 | 166.1 | 54.7 | 0 | 0 | 0 | 0 | 108.6 | N813 V817 | N813-S815 PolarHBondContact O-N 3.26Å; N813-S815 PolarHBondContact O-OG 2.64Å; S815-V817 PolarHBondContact O-N 2.85Å | ||
| 816 | S | 45.8 | Very low | 52.4 | Low | 113 Ų | 113 | 84 Ų | 84 | 79% | 0.79 | 52% | 0.515 | S | S | * | . | trans | -40.2 | 122.9 | -177.4 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | E818 | S816-E818 PolarHBondContact O-N 2.84Š| ||
| 817 | V | 54.9 | Low | 54.1 | Low | 119 Ų | 119 | 80.6 Ų | 80.6 | 72% | 0.721 | 49% | 0.494 | S | S | * | . | trans | -51.5 | 116.6 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | T763 S815 Q819 | T763-V817 HydrophobicContact CG2-CG1 4.32Å; S815-V817 PolarHBondContact O-N 2.85Å; V817-Q819 PolarHBondContact O-N 2.86Å | ||
| 818 | E | 61.7 | Low | 56.1 | Low | 98 Ų | 98 | 75 Ų | 75 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | trans | -60.7 | 133.3 | -177.4 | -163.2 | 176.4 | 171.6 | 0 | 0 | 109.9 | T763 S816 I820 K929 | T763-E818 WeakPolarHBondContact CG2-O 2.82Å; S816-E818 PolarHBondContact O-N 2.84Å; E818-I820 PolarHBondContact O-N 2.83Å; E818-I820 VanDerWaalsContact O-N 3.17Å; E818-K929 WeakPolarHBondContact OE1-CD 3.48Å; E818-K929 WeakPolarHBondContact OE1-CE 3.23Å; E818-K929 IonicContact OE1-NZ 3.2Å; E818-K929 PolarHBondContact OE1-NZ 3.47Å; E818-K929 IonicContact OE2-NZ 3.63Å | ||
| 819 | Q | 67.6 | Low | 58.2 | Low | 77 Ų | 77 | 72.3 Ų | 72.3 | 36% | 0.36 | 45% | 0.447 | S | S | . | . | trans | -73 | 105.5 | -173.6 | -114.9 | 179.7 | -22.1 | 0 | 0 | 111.9 | D761 T763 V817 I821 | D761-Q819 WeakPolarHBondContact OD2-CG 3.25Å; D761-Q819 PolarHBondContact OD2-NE2 2.87Å; T763-Q819 VanDerWaalsContact CG2-CA 3.47Å; T763-Q819 HydrophobicContact CG2-CB 4.38Å; T763-Q819 HydrophobicContact CG2-CG 4.03Å; V817-Q819 PolarHBondContact O-N 2.86Å; Q819-I821 PolarHBondContact O-N 3.27Å | ||
| 820 | I | 72.9 | Confident | 60.8 | Low | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.087 | 40% | 0.4 | C | S | . | . | trans | -83.2 | 112 | 179.8 | -58.4 | 176.7 | 0 | 0 | 0 | 110.1 | A762 T763 T800 L801 E818 I822 H925 | A762-I820 HydrophobicContact CB-CB 4.33Å; A762-I820 HydrophobicContact CB-CG2 4.09Å; A762-I820 WeakPolarHBondContact CB-O 3.4Å; A762-I820 PolarHBondContact N-O 3.47Å; T763-I820 VanDerWaalsContact CG2-N 3.34Å; T800-I820 HydrophobicContact CG2-CG2 4.15Å; L801-I820 HydrophobicContact CD2-CD1 3.9Å; E818-I820 PolarHBondContact O-N 2.83Å; E818-I820 VanDerWaalsContact O-N 3.17Å; I820-I822 HydrophobicContact CG2-CG2 4.47Å; I820-H925 VanDerWaalsContact CA-CD2 3.49Å; I820-H925 WeakPolarHBondContact CA-CD2 3.24Å | ||
| 821 | I | 79 | Confident | 63.5 | Low | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.7 | 179.2 | -56.2 | 175.5 | 0 | 0 | 0 | 110.5 | F759 Y760 Q819 H925 M928 R936 L940 | F759-I821 HydrophobicContact CB-CG2 3.89Å; Y760-I821 WeakPolarHBondContact O-CA 3.43Å; Q819-I821 PolarHBondContact O-N 3.27Å; I821-H925 PolarHBondContact O-N 3.45Å; I821-M928 HydrophobicContact CB-CB 4.44Å; I821-M928 HydrophobicContact CB-CG 4.35Å; I821-M928 HydrophobicContact CD1-CB 4.29Å; I821-M928 HydrophobicContact CD1-CE 3.85Å; I821-M928 HydrophobicContact CG2-CE 3.94Å; I821-M928 HydrophobicContact CG2-CG 4.11Å; I821-R936 HydrophobicContact CD1-CG 4.41Å; I821-L940 HydrophobicContact CD1-CD1 4.18Å; I821-L940 HydrophobicContact CD1-CD2 4.32Å; I821-L940 HydrophobicContact CD1-CG 4.28Å; I821-L940 HydrophobicContact CG1-CD2 4.33Å; I821-L940 HydrophobicContact CG2-CD2 4.02Å |
| 822 | I | 80.7 | Confident | 66 | Low | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 160.4 | 178.7 | 58.3 | 171.9 | 0 | 0 | 0 | 111.9 | F759 Y760 A762 W793 L797 T800 I820 | F759-I822 WeakPolarHBondContact CA-O 3.21Å; Y760-I822 PolarHBondContact N-O 2.93Å; Y760-I822 PolarHBondContact O-N 3.12Å; A762-I822 HydrophobicContact CB-CD1 4.19Å; A762-I822 HydrophobicContact CB-CG1 4.29Å; W793-I822 HydrophobicContact CE3-CD1 3.83Å; W793-I822 HydrophobicContact CZ3-CD1 4.48Å; L797-I822 HydrophobicContact CB-CD1 4.13Å; L797-I822 HydrophobicContact CD1-CD1 4.06Å; T800-I822 HydrophobicContact CG2-CG2 4.1Å; I820-I822 HydrophobicContact CG2-CG2 4.47Å |
| 823 | S | 81.8 | Confident | 68.7 | Low | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 142 | 168.4 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | L825 W916 | S823-L825 WeakPolarHBondContact CB-O 3.13Å; S823-L825 PolarHBondContact OG-N 3.01Å; S823-L825 PolarHBondContact OG-O 3.3Å; S823-W916 PolarHBondContact OG-NE1 2.83Å |
| 824 | R | 79.5 | Confident | 71.5 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -72.6 | -34.4 | 175.5 | -170.8 | 178.5 | 62.2 | 88.2 | 16.8 | 112.9 | Y531 E535 S752 S757 M758 W916 | Y531-R824 PolarHBondContact OH-O 2.88Å; E535-R824 IonicContact OE1-NH1 2.73Å; S752-R824 PolarHBondContact O-NH1 2.91Å; S752-R824 PolarHBondContact O-NH2 3.49Å; S757-R824 WeakPolarHBondContact O-CD 3.39Å; S757-R824 PolarHBondContact O-NE 3.35Å; M758-R824 WeakPolarHBondContact O-CB 3.5Å; M758-R824 PolarHBondContact O-N 3.47Å; R824-W916 HydrophobicContact CB-CZ2 4.25Å |
| 825 | L | 75.7 | Confident | 73.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -116 | 149.2 | 179.6 | -63.4 | -179.2 | 0 | 0 | 0 | 110.7 | Y531 L790 S823 E829 I830 L833 W916 | Y531-L825 VanDerWaalsContact OH-CD2 3.32Å; Y531-L825 WeakPolarHBondContact OH-CD2 3.28Å; L790-L825 HydrophobicContact CD2-CD2 3.43Å; L790-L825 VanDerWaalsContact CD2-CD2 3.43Å; S823-L825 WeakPolarHBondContact CB-O 3.13Å; S823-L825 PolarHBondContact OG-N 3.01Å; S823-L825 PolarHBondContact OG-O 3.3Å; L825-E829 WeakPolarHBondContact CA-OE2 3.16Å; L825-E829 HydrophobicContact CB-CB 4.39Å; L825-I830 HydrophobicContact CB-CD1 4.08Å; L825-I830 HydrophobicContact CB-CG1 3.67Å; L825-I830 HydrophobicContact CD1-CG1 4.29Å; L825-L833 HydrophobicContact CD1-CD1 3.59Å; L825-W916 HydrophobicContact CB-CH2 3.77Å; L825-W916 HydrophobicContact CB-CZ2 3.83Å; L825-W916 HydrophobicContact CD1-CH2 3.36Å; L825-W916 HydrophobicContact CD1-CZ2 4.28Å; L825-W916 HydrophobicContact CD1-CZ3 3.62Å; L825-W916 HydrophobicContact CG-CH2 3.47Å; L825-W916 VanDerWaalsContact CG-CH2 3.47Å; L825-W916 HydrophobicContact CG-CZ2 3.99Å; L825-W916 HydrophobicContact CG-CZ3 4.23Å |
| 826 | E | 71.9 | Confident | 76.4 | Confident | 50 Ų | 50 | 40 Ų | 40 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | trans | -74.4 | 158.8 | 169.4 | -106.4 | -176.4 | 179.1 | 0 | 0 | 111.3 | S792 R795 S828 E829 I830 | S792-E826 WeakPolarHBondContact CB-OE2 3.44Å; S792-E826 VanDerWaalsContact OG-CB 3.31Å; S792-E826 WeakPolarHBondContact OG-CB 3.48Å; S792-E826 PolarHBondContact OG-N 3.17Å; R795-E826 WeakPolarHBondContact CB-OE1 3.31Å; E826-S828 PolarHBondContact O-N 2.99Å; E826-E829 HydrophobicContact CB-CG 4.49Å; E826-E829 PolarHBondContact N-OE2 3.09Å; E826-E829 PolarHBondContact O-N 2.9Å; E826-E829 VanDerWaalsContact O-N 3.11Å; E826-I830 WeakPolarHBondContact O-CG1 3.12Å; E826-I830 PolarHBondContact O-N 3.43Å | ||
| 827 | T | 78.6 | Confident | 78.6 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.2 | -39.3 | 176.2 | -41.5 | 0 | 0 | 0 | 0 | 112.4 | E829 I830 S831 E917 S920 E921 | T827-E829 PolarHBondContact O-N 2.86Å; T827-I830 PolarHBondContact O-N 3.23Å; T827-S831 WeakPolarHBondContact O-CB 3.31Å; T827-S831 PolarHBondContact O-N 3.34Å; T827-E917 HydrophobicContact CG2-CG 3.65Å; T827-S920 WeakPolarHBondContact CA-OG 3.42Å; T827-S920 PolarHBondContact OG1-O 2.74Å; T827-S920 PolarHBondContact OG1-OG 3.43Å; T827-E921 HydrophobicContact CG2-CG 3.5Å; T827-E921 VanDerWaalsContact CG2-CG 3.5Å |
| 828 | S | 75.3 | Confident | 80.3 | Confident | 73 Ų | 73 | 30.8 Ų | 30.8 | 51% | 0.51 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 179 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | E826 W832 | E826-S828 PolarHBondContact O-N 2.99Å; S828-W832 WeakPolarHBondContact O-CB 3.31Å; S828-W832 PolarHBondContact O-N 3.05Å |
| 829 | E | 75.4 | Confident | 81.6 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.9 | -43.1 | 178.4 | -64.5 | 170.7 | 150.6 | 0 | 0 | 111 | L790 R791 S792 L825 E826 T827 S831 W832 L833 | L790-E829 VanDerWaalsContact CA-OE1 3.26Å; L790-E829 WeakPolarHBondContact CA-OE1 3.46Å; R791-E829 PolarHBondContact N-OE1 3.08Å; R791-E829 VanDerWaalsContact N-OE1 3.11Å; S792-E829 VanDerWaalsContact OG-CD 3.25Å; S792-E829 PolarHBondContact OG-OE1 2.95Å; S792-E829 PolarHBondContact OG-OE2 3.27Å; L825-E829 WeakPolarHBondContact CA-OE2 3.16Å; L825-E829 HydrophobicContact CB-CB 4.39Å; E826-E829 HydrophobicContact CB-CG 4.49Å; E826-E829 PolarHBondContact N-OE2 3.09Å; E826-E829 PolarHBondContact O-N 2.9Å; E826-E829 VanDerWaalsContact O-N 3.11Å; T827-E829 PolarHBondContact O-N 2.86Å; E829-S831 VanDerWaalsContact C-N 3.35Å; E829-W832 PolarHBondContact O-N 3.37Å; E829-L833 WeakPolarHBondContact O-CG 3.13Å; E829-L833 PolarHBondContact O-N 2.97Å |
| 830 | I | 84.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.9 | -60.1 | 162.4 | 0 | 0 | 0 | 110.2 | L825 E826 T827 W832 L833 R834 L913 W916 E917 | L825-I830 HydrophobicContact CB-CD1 4.08Å; L825-I830 HydrophobicContact CB-CG1 3.67Å; L825-I830 HydrophobicContact CD1-CG1 4.29Å; E826-I830 WeakPolarHBondContact O-CG1 3.12Å; E826-I830 PolarHBondContact O-N 3.43Å; T827-I830 PolarHBondContact O-N 3.23Å; I830-W832 VanDerWaalsContact C-N 3.35Å; I830-W832 PolarHBondContact O-N 3.37Å; I830-L833 PolarHBondContact O-N 3.22Å; I830-R834 WeakPolarHBondContact O-CB 3.47Å; I830-R834 PolarHBondContact O-N 3.1Å; I830-L913 HydrophobicContact CG2-CB 4.34Å; I830-L913 HydrophobicContact CG2-CD2 4.41Å; I830-L913 WeakPolarHBondContact CG2-O 3.39Å; I830-W916 HydrophobicContact CD1-CB 4.48Å; I830-W916 HydrophobicContact CD1-CD2 3.62Å; I830-W916 HydrophobicContact CD1-CE3 4.14Å; I830-W916 HydrophobicContact CD1-CG 3.77Å; I830-W916 HydrophobicContact CD1-CZ2 4.26Å; I830-W916 HydrophobicContact CG1-CD2 4.04Å; I830-W916 HydrophobicContact CG1-CE3 4.03Å; I830-W916 HydrophobicContact CG1-CZ3 4.32Å; I830-W916 HydrophobicContact CG2-CB 4.42Å; I830-W916 HydrophobicContact CG2-CE3 4.38Å; I830-E917 HydrophobicContact CB-CB 4.47Å; I830-E917 HydrophobicContact CG2-CB 3.83Å |
| 831 | S | 84.6 | Confident | 83.6 | Confident | 35 Ų | 35 | 23.5 Ų | 23.5 | 25% | 0.245 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | T827 E829 R834 N835 E917 | T827-S831 WeakPolarHBondContact O-CB 3.31Å; T827-S831 PolarHBondContact O-N 3.34Å; E829-S831 VanDerWaalsContact C-N 3.35Å; S831-R834 PolarHBondContact O-N 3.33Å; S831-N835 VanDerWaalsContact O-CG 3.3Å; S831-N835 PolarHBondContact O-N 2.9Å; S831-N835 PolarHBondContact O-ND2 3.5Å; S831-N835 VanDerWaalsContact O-ND2 3.1Å; S831-E917 VanDerWaalsContact CB-OE1 3.32Å; S831-E917 WeakPolarHBondContact CB-OE1 3.1Å; S831-E917 PolarHBondContact OG-OE1 3.13Å |
| 832 | W | 84.4 | Confident | 84.1 | Confident | 51 Ų | 51 | 28.1 Ų | 28.1 | 19% | 0.193 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -49.1 | 174.8 | 178.2 | 86.1 | 0 | 0 | 0 | 111.6 | I565 S828 E829 I830 R834 N835 Q836 | I565-W832 HydrophobicContact CG2-CH2 3.77Å; I565-W832 HydrophobicContact CG2-CZ2 4.23Å; S828-W832 WeakPolarHBondContact O-CB 3.31Å; S828-W832 PolarHBondContact O-N 3.05Å; E829-W832 PolarHBondContact O-N 3.37Å; I830-W832 VanDerWaalsContact C-N 3.35Å; I830-W832 PolarHBondContact O-N 3.37Å; W832-R834 VanDerWaalsContact C-N 3.35Å; W832-R834 PolarHBondContact O-N 3.44Å; W832-N835 PolarHBondContact O-N 2.83Å; W832-Q836 HydrophobicContact CD2-CG 4.14Å; W832-Q836 HydrophobicContact CE3-CG 4.31Å; W832-Q836 HydrophobicContact CH2-CG 3.97Å; W832-Q836 HydrophobicContact CZ2-CG 3.8Å; W832-Q836 HydrophobicContact CZ3-CG 4.24Å; W832-Q836 WeakPolarHBondContact O-CG 3.46Å; W832-Q836 PolarHBondContact O-N 2.92Å; W832-Q836 VanDerWaalsContact O-N 3.09Å |
| 833 | L | 86.5 | Confident | 84.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 177.4 | -74.3 | 170 | 0 | 0 | 0 | 112.1 | I749 S752 F753 L825 E829 I830 N835 Q836 I837 L913 | I749-L833 HydrophobicContact CG2-CD2 3.5Å; S752-L833 WeakPolarHBondContact OG-CD2 3.34Å; F753-L833 HydrophobicContact CD1-CD1 3.96Å; F753-L833 HydrophobicContact CD1-CD2 4.1Å; F753-L833 HydrophobicContact CE1-CD2 4.25Å; L825-L833 HydrophobicContact CD1-CD1 3.59Å; E829-L833 WeakPolarHBondContact O-CG 3.13Å; E829-L833 PolarHBondContact O-N 2.97Å; I830-L833 PolarHBondContact O-N 3.22Å; L833-N835 VanDerWaalsContact C-N 3.32Å; L833-N835 PolarHBondContact O-N 3.14Å; L833-Q836 WeakPolarHBondContact O-CB 3.33Å; L833-Q836 PolarHBondContact O-N 3.31Å; L833-I837 WeakPolarHBondContact O-CG1 3.34Å; L833-I837 PolarHBondContact O-N 3Å; L833-I837 VanDerWaalsContact O-N 3.08Å; L833-L913 HydrophobicContact CB-CD1 4.23Å |
| 834 | R | 88.7 | Confident | 84.7 | Confident | 58 Ų | 58 | 28.4 Ų | 28.4 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 178.6 | -174.3 | 172.7 | 177 | -109.2 | -5.7 | 111.2 | I830 S831 W832 Q836 I837 I838 A910 L913 E917 | I830-R834 WeakPolarHBondContact O-CB 3.47Å; I830-R834 PolarHBondContact O-N 3.1Å; S831-R834 PolarHBondContact O-N 3.33Å; W832-R834 VanDerWaalsContact C-N 3.35Å; W832-R834 PolarHBondContact O-N 3.44Å; R834-Q836 PolarHBondContact O-N 3.47Å; R834-I837 PolarHBondContact O-N 2.85Å; R834-I838 HydrophobicContact CG-CD1 3.87Å; R834-I838 VanDerWaalsContact O-CG1 3.28Å; R834-I838 WeakPolarHBondContact O-CG1 3.41Å; R834-I838 PolarHBondContact O-N 3.36Å; R834-A910 PolarHBondContact NE-O 3.36Å; R834-L913 HydrophobicContact CB-CB 4.17Å; R834-L913 HydrophobicContact CG-CB 4.4Å; R834-E917 WeakPolarHBondContact CD-OE2 3.47Å; R834-E917 IonicContact NH1-OE2 2.84Å |
| 835 | N | 87.9 | Confident | 85.2 | Confident | 58 Ų | 58 | 30.4 Ų | 30.4 | 31% | 0.31 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63 | -38.9 | 175.7 | -72.7 | -35.7 | 0 | 0 | 0 | 112.6 | V667 S831 W832 L833 I838 Y839 | V667-N835 HydrophobicContact CG2-CB 4.37Å; S831-N835 VanDerWaalsContact O-CG 3.3Å; S831-N835 PolarHBondContact O-N 2.9Å; S831-N835 PolarHBondContact O-ND2 3.5Å; S831-N835 VanDerWaalsContact O-ND2 3.1Å; W832-N835 PolarHBondContact O-N 2.83Å; L833-N835 VanDerWaalsContact C-N 3.32Å; L833-N835 PolarHBondContact O-N 3.14Å; N835-I838 PolarHBondContact O-N 3.48Å; N835-Y839 WeakPolarHBondContact O-CB 3.32Å; N835-Y839 PolarHBondContact O-N 3.3Å |
| 836 | Q | 88 | Confident | 85.6 | Confident | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 175 | -59 | -54.6 | -64.7 | 0 | 0 | 111.8 | A663 I749 W832 L833 R834 Y839 L840 | A663-Q836 PolarHBondContact O-NE2 3Å; I749-Q836 HydrophobicContact CD1-CB 3.71Å; I749-Q836 HydrophobicContact CD1-CG 4.38Å; I749-Q836 HydrophobicContact CG2-CB 4.43Å; W832-Q836 HydrophobicContact CD2-CG 4.14Å; W832-Q836 HydrophobicContact CE3-CG 4.31Å; W832-Q836 HydrophobicContact CH2-CG 3.97Å; W832-Q836 HydrophobicContact CZ2-CG 3.8Å; W832-Q836 HydrophobicContact CZ3-CG 4.24Å; W832-Q836 WeakPolarHBondContact O-CG 3.46Å; W832-Q836 PolarHBondContact O-N 2.92Å; W832-Q836 VanDerWaalsContact O-N 3.09Å; L833-Q836 WeakPolarHBondContact O-CB 3.33Å; L833-Q836 PolarHBondContact O-N 3.31Å; R834-Q836 PolarHBondContact O-N 3.47Å; Q836-Y839 PolarHBondContact O-N 3.02Å; Q836-L840 WeakPolarHBondContact O-CB 3.41Å; Q836-L840 PolarHBondContact O-N 3.5Å |
| 837 | I | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 177.5 | -64.7 | -78.2 | 0 | 0 | 0 | 110.9 | L746 F753 L833 R834 Y839 L840 Q841 L906 I909 A910 L913 | L746-I837 HydrophobicContact CD1-CD1 3.5Å; F753-I837 HydrophobicContact CZ-CD1 4.12Å; L833-I837 WeakPolarHBondContact O-CG1 3.34Å; L833-I837 PolarHBondContact O-N 3Å; L833-I837 VanDerWaalsContact O-N 3.08Å; R834-I837 PolarHBondContact O-N 2.85Å; I837-Y839 PolarHBondContact O-N 2.87Å; I837-L840 WeakPolarHBondContact O-CB 3.29Å; I837-L840 PolarHBondContact O-N 3.08Å; I837-Q841 WeakPolarHBondContact O-CB 3.43Å; I837-Q841 PolarHBondContact O-N 3.15Å; I837-L906 HydrophobicContact CD1-CD2 4.04Å; I837-L906 HydrophobicContact CG2-CB 4.22Å; I837-L906 HydrophobicContact CG2-CD2 4.01Å; I837-L906 WeakPolarHBondContact CG2-O 2.99Å; I837-I909 HydrophobicContact CD1-CG2 3.76Å; I837-I909 HydrophobicContact CG1-CG2 4.05Å; I837-I909 HydrophobicContact CG2-CB 4.47Å; I837-I909 HydrophobicContact CG2-CG2 4.36Å; I837-A910 HydrophobicContact CG2-CB 3.92Å; I837-L913 HydrophobicContact CG1-CD1 3.96Å |
| 838 | I | 90.3 | Very high | 86.3 | Confident | 39 Ų | 39 | 31.9 Ų | 31.9 | 20% | 0.2 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 179.7 | -69.9 | 167.9 | 0 | 0 | 0 | 111 | R834 N835 L840 Q841 Q842 A910 | R834-I838 HydrophobicContact CG-CD1 3.87Å; R834-I838 VanDerWaalsContact O-CG1 3.28Å; R834-I838 WeakPolarHBondContact O-CG1 3.41Å; R834-I838 PolarHBondContact O-N 3.36Å; N835-I838 PolarHBondContact O-N 3.48Å; I838-L840 VanDerWaalsContact C-N 3.31Å; I838-L840 PolarHBondContact O-N 3.46Å; I838-Q841 WeakPolarHBondContact O-CB 3.3Å; I838-Q841 PolarHBondContact O-N 3.03Å; I838-Q842 HydrophobicContact CG2-CG 4.31Å; I838-Q842 WeakPolarHBondContact O-CB 3.34Å; I838-Q842 VanDerWaalsContact O-CG 3.29Å; I838-Q842 WeakPolarHBondContact O-CG 3.26Å; I838-Q842 PolarHBondContact O-N 3.11Å; I838-A910 HydrophobicContact CG1-CB 4.32Å |
| 839 | Y | 90.6 | Very high | 86.4 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.5 | -47.7 | 174.7 | 164.5 | -97.2 | 0 | 0 | 0 | 111.5 | L659 A663 T666 Q676 E680 F745 N835 Q836 I837 Q842 L843 | L659-Y839 HydrophobicContact CD2-CE1 4.45Å; L659-Y839 WeakPolarHBondContact O-CE1 3.21Å; A663-Y839 HydrophobicContact CB-CD1 3.34Å; A663-Y839 HydrophobicContact CB-CE1 3.65Å; A663-Y839 HydrophobicContact CB-CG 3.84Å; T666-Y839 HydrophobicContact CG2-CD2 3.75Å; T666-Y839 HydrophobicContact CG2-CE2 4.35Å; Q676-Y839 HydrophobicContact CG-CE2 3.84Å; E680-Y839 HydrophobicContact CG-CE2 4.41Å; E680-Y839 VanDerWaalsContact CG-OH 3.29Å; E680-Y839 WeakPolarHBondContact CG-OH 3.4Å; E680-Y839 WeakPolarHBondContact OE1-CE2 3.17Å; F745-Y839 HydrophobicContact CE1-CD1 4.45Å; N835-Y839 WeakPolarHBondContact O-CB 3.32Å; N835-Y839 PolarHBondContact O-N 3.3Å; Q836-Y839 PolarHBondContact O-N 3.02Å; I837-Y839 PolarHBondContact O-N 2.87Å; Y839-Q842 PolarHBondContact O-N 2.91Å; Y839-L843 WeakPolarHBondContact O-CB 3.41Å; Y839-L843 PolarHBondContact O-N 3.07Å |
| 840 | L | 91.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | -178.7 | -150.5 | 162.3 | 0 | 0 | 0 | 110.8 | I742 F745 L746 Q836 I837 I838 L843 I844 L906 | I742-L840 HydrophobicContact CG2-CD2 3.41Å; I742-L840 VanDerWaalsContact CG2-CD2 3.41Å; I742-L840 HydrophobicContact CG2-CG 4.28Å; F745-L840 HydrophobicContact CD1-CD1 3.28Å; F745-L840 HydrophobicContact CD1-CG 4.06Å; F745-L840 HydrophobicContact CE1-CD1 3.7Å; F745-L840 HydrophobicContact CE1-CG 4.37Å; F745-L840 HydrophobicContact CG-CD1 4.26Å; L746-L840 HydrophobicContact CB-CD1 4.12Å; Q836-L840 WeakPolarHBondContact O-CB 3.41Å; Q836-L840 PolarHBondContact O-N 3.5Å; I837-L840 WeakPolarHBondContact O-CB 3.29Å; I837-L840 PolarHBondContact O-N 3.08Å; I838-L840 VanDerWaalsContact C-N 3.31Å; I838-L840 PolarHBondContact O-N 3.46Å; L840-L843 PolarHBondContact O-N 3.14Å; L840-I844 HydrophobicContact CD2-CD1 3.71Å; L840-I844 HydrophobicContact CD2-CG1 4.48Å; L840-I844 WeakPolarHBondContact O-CG1 3.27Å; L840-I844 PolarHBondContact O-N 2.99Å; L840-L906 HydrophobicContact CD2-CD1 3.58Å; L840-L906 HydrophobicContact CD2-CD2 4.14Å |
| 841 | Q | 90.4 | Very high | 84.7 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 172.8 | -174.5 | -172.4 | 8.1 | 0 | 0 | 111.9 | I837 I838 L843 I844 Q845 H903 L906 | I837-Q841 WeakPolarHBondContact O-CB 3.43Å; I837-Q841 PolarHBondContact O-N 3.15Å; I838-Q841 WeakPolarHBondContact O-CB 3.3Å; I838-Q841 PolarHBondContact O-N 3.03Å; Q841-L843 VanDerWaalsContact C-N 3.34Å; Q841-I844 PolarHBondContact O-N 3.47Å; Q841-Q845 WeakPolarHBondContact O-CB 3.32Å; Q841-Q845 PolarHBondContact O-N 2.74Å; Q841-H903 WeakPolarHBondContact CG-CE1 3.44Å; Q841-H903 WeakPolarHBondContact CG-ND1 3.5Å; Q841-H903 PolarHBondContact NE2-CE1 3.49Å; Q841-H903 PolarHBondContact NE2-NE2 2.88Å; Q841-L906 HydrophobicContact CB-CB 4.2Å; Q841-L906 HydrophobicContact CB-CD1 4.46Å; Q841-L906 HydrophobicContact CG-CB 4.46Å |
| 842 | Q | 88.5 | Confident | 83.4 | Confident | 99 Ų | 99 | 43 Ų | 43 | 46% | 0.463 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66 | -35.4 | 178.4 | -72.9 | 176.4 | 4.8 | 0 | 0 | 112.2 | I838 Y839 R846 | I838-Q842 HydrophobicContact CG2-CG 4.31Å; I838-Q842 WeakPolarHBondContact O-CB 3.34Å; I838-Q842 VanDerWaalsContact O-CG 3.29Å; I838-Q842 WeakPolarHBondContact O-CG 3.26Å; I838-Q842 PolarHBondContact O-N 3.11Å; Y839-Q842 PolarHBondContact O-N 2.91Å; Q842-R846 WeakPolarHBondContact O-CB 3.5Å; Q842-R846 VanDerWaalsContact O-CG 3.24Å; Q842-R846 WeakPolarHBondContact O-CG 3.39Å; Q842-R846 PolarHBondContact O-N 3.28Å; Q842-R846 PolarHBondContact O-NE 2.78Å; Q842-R846 VanDerWaalsContact O-NE 3.07Å |
| 843 | L | 88.2 | Confident | 82.4 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -49.6 | 175.7 | -177.9 | 123.1 | 0 | 0 | 0 | 110.8 | L659 E680 I742 Y839 L840 Q841 Q845 R846 Q847 | L659-L843 HydrophobicContact CD2-CD1 3.86Å; L659-L843 HydrophobicContact CD2-CD2 4.08Å; E680-L843 HydrophobicContact CB-CD1 4.43Å; E680-L843 HydrophobicContact CG-CD1 3.64Å; I742-L843 HydrophobicContact CD1-CD2 3.71Å; I742-L843 HydrophobicContact CG1-CD2 4.18Å; Y839-L843 WeakPolarHBondContact O-CB 3.41Å; Y839-L843 PolarHBondContact O-N 3.07Å; L840-L843 PolarHBondContact O-N 3.14Å; Q841-L843 VanDerWaalsContact C-N 3.34Å; L843-Q845 PolarHBondContact O-N 3.49Å; L843-R846 PolarHBondContact O-N 2.95Å; L843-Q847 WeakPolarHBondContact O-CG 3.5Å; L843-Q847 PolarHBondContact O-N 2.78Å |
| 844 | I | 88.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.8 | -66.9 | 165.5 | 0 | 0 | 0 | 110.9 | I742 L840 Q841 R846 Q847 L848 L902 H903 L906 | I742-I844 HydrophobicContact CD1-CG1 4.36Å; I742-I844 HydrophobicContact CG2-CD1 3.95Å; I742-I844 HydrophobicContact CG2-CG1 4.29Å; L840-I844 HydrophobicContact CD2-CD1 3.71Å; L840-I844 HydrophobicContact CD2-CG1 4.48Å; L840-I844 WeakPolarHBondContact O-CG1 3.27Å; L840-I844 PolarHBondContact O-N 2.99Å; Q841-I844 PolarHBondContact O-N 3.47Å; I844-R846 VanDerWaalsContact C-N 3.31Å; I844-R846 PolarHBondContact O-N 3.45Å; I844-Q847 PolarHBondContact O-N 3.02Å; I844-L848 HydrophobicContact CG2-CD1 3.78Å; I844-L848 HydrophobicContact CG2-CG 4.35Å; I844-L848 PolarHBondContact O-N 3.39Å; I844-L902 HydrophobicContact CD1-CD2 3.62Å; I844-L902 HydrophobicContact CD1-CG 3.94Å; I844-H903 HydrophobicContact CG2-CB 4.15Å; I844-L906 HydrophobicContact CD1-CD1 3.47Å; I844-L906 VanDerWaalsContact CD1-CD1 3.47Å |
| 845 | Q | 88.1 | Confident | 81.2 | Confident | 74 Ų | 74 | 39.7 Ų | 39.7 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.5 | -44.5 | 177.2 | -171.1 | 74.2 | 18.6 | 0 | 0 | 111.5 | Q841 L843 L848 N849 H903 | Q841-Q845 WeakPolarHBondContact O-CB 3.32Å; Q841-Q845 PolarHBondContact O-N 2.74Å; L843-Q845 PolarHBondContact O-N 3.49Å; Q845-L848 PolarHBondContact O-N 2.93Å; Q845-N849 WeakPolarHBondContact O-CB 3.46Å; Q845-N849 VanDerWaalsContact O-CG 3.27Å; Q845-N849 PolarHBondContact O-N 2.85Å; Q845-N849 PolarHBondContact O-ND2 2.89Å; Q845-H903 PolarHBondContact OE1-CE1 3.32Å; Q845-H903 PolarHBondContact OE1-ND1 2.97Å; Q845-H903 PolarHBondContact OE1-NE2 3.3Å |
| 846 | R | 84.8 | Confident | 80.4 | Confident | 75 Ų | 75 | 41.8 Ų | 41.8 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.8 | -77.6 | 177.6 | -85.9 | 157.2 | -2.3 | 111.2 | E680 Q842 L843 I844 L848 N849 I850 | E680-R846 IonicContact OE1-CZ 2.7Å; E680-R846 IonicContact OE1-NH1 3.23Å; E680-R846 PolarHBondContact OE1-NH1 3.12Å; E680-R846 IonicContact OE1-NH2 3.16Å; E680-R846 PolarHBondContact OE1-NH2 3.35Å; E680-R846 IonicContact OE2-CZ 2.79Å; E680-R846 IonicContact OE2-NH1 3.77Å; E680-R846 PolarHBondContact OE2-NH1 3.49Å; Q842-R846 WeakPolarHBondContact O-CB 3.5Å; Q842-R846 VanDerWaalsContact O-CG 3.24Å; Q842-R846 WeakPolarHBondContact O-CG 3.39Å; Q842-R846 PolarHBondContact O-N 3.28Å; Q842-R846 PolarHBondContact O-NE 2.78Å; Q842-R846 VanDerWaalsContact O-NE 3.07Å; L843-R846 PolarHBondContact O-N 2.95Å; I844-R846 VanDerWaalsContact C-N 3.31Å; I844-R846 PolarHBondContact O-N 3.45Å; R846-L848 PolarHBondContact O-N 3.24Å; R846-N849 PolarHBondContact O-N 2.72Å; R846-I850 WeakPolarHBondContact O-CD1 3.46Å; R846-I850 VanDerWaalsContact O-CG1 3.28Å; R846-I850 WeakPolarHBondContact O-CG1 3.26Å; R846-I850 PolarHBondContact O-N 2.88Å |
| 847 | Q | 83.9 | Confident | 79.1 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.2 | -33.4 | 179 | -65.4 | -56 | -40.8 | 0 | 0 | 113.7 | L843 I844 F855 | L843-Q847 WeakPolarHBondContact O-CG 3.5Å; L843-Q847 PolarHBondContact O-N 2.78Å; I844-Q847 PolarHBondContact O-N 3.02Å; Q847-F855 HydrophobicContact CB-CD2 3.57Å; Q847-F855 HydrophobicContact CB-CE2 3.89Å; Q847-F855 HydrophobicContact CG-CD2 4.38Å; Q847-F855 HydrophobicContact CG-CE2 4.2Å |
| 848 | L | 81.5 | Confident | 77.6 | Confident | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.7 | -30.5 | 173.7 | -76.2 | 167.4 | 0 | 0 | 0 | 112.8 | I844 Q845 R846 F855 R856 Q896 A899 E900 | I844-L848 HydrophobicContact CG2-CD1 3.78Å; I844-L848 HydrophobicContact CG2-CG 4.35Å; I844-L848 PolarHBondContact O-N 3.39Å; Q845-L848 PolarHBondContact O-N 2.93Å; R846-L848 PolarHBondContact O-N 3.24Å; L848-F855 HydrophobicContact CD2-CB 3.94Å; L848-F855 HydrophobicContact CG-CB 4.47Å; L848-R856 VanDerWaalsContact O-CD 3.25Å; L848-R856 WeakPolarHBondContact O-CD 3.42Å; L848-R856 PolarHBondContact O-NE 2.67Å; L848-R856 PolarHBondContact O-NH1 3.04Å; L848-Q896 HydrophobicContact CD2-CG 4.2Å; L848-A899 HydrophobicContact CD2-CB 4.21Å; L848-E900 HydrophobicContact CD1-CG 4.16Å; L848-E900 HydrophobicContact CD2-CG 4.26Å |
| 849 | N | 77.9 | Confident | 75.7 | Confident | 100 Ų | 100 | 48 Ų | 48 | 54% | 0.535 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -78.2 | -30.1 | -178 | -80.3 | -13.8 | 0 | 0 | 0 | 113.5 | Q845 R846 R851 R856 | Q845-N849 WeakPolarHBondContact O-CB 3.46Å; Q845-N849 VanDerWaalsContact O-CG 3.27Å; Q845-N849 PolarHBondContact O-N 2.85Å; Q845-N849 PolarHBondContact O-ND2 2.89Å; R846-N849 PolarHBondContact O-N 2.72Å; N849-R851 PolarHBondContact O-N 3.41Å; N849-R856 PolarHBondContact O-NH1 2.6Å |
| 850 | I | 74.4 | Confident | 73.6 | Confident | 71 Ų | 71 | 51.9 Ų | 51.9 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -66.3 | 130.8 | -180 | -65.3 | 160.3 | 0 | 0 | 0 | 109.8 | R846 G852 G853 | R846-I850 WeakPolarHBondContact O-CD1 3.46Å; R846-I850 VanDerWaalsContact O-CG1 3.28Å; R846-I850 WeakPolarHBondContact O-CG1 3.26Å; R846-I850 PolarHBondContact O-N 2.88Å; I850-G852 PolarHBondContact O-N 3.16Å; I850-G853 PolarHBondContact O-N 3.22Å |
| 851 | R | 48.9 | Very low | 71.4 | Confident | 178 Ų | 178 | 57 Ų | 57 | 67% | 0.672 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 121.9 | 175.2 | -90.9 | -178 | 168.8 | 171.2 | -2.9 | 109.7 | N849 G853 | N849-R851 PolarHBondContact O-N 3.41Å; R851-G853 PolarHBondContact O-N 3.01Å |
| 852 | G | 57.2 | Low | 68.8 | Low | 7 Ų | 7 | 62.6 Ų | 62.6 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 24.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I850 | I850-G852 PolarHBondContact O-N 3.16Š|
| 853 | G | 64.4 | Low | 66 | Low | 6 Ų | 6 | 63.2 Ų | 63.2 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | trans | -64.6 | 161 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I850 R851 F855 R856 | I850-G853 PolarHBondContact O-N 3.22Å; R851-G853 PolarHBondContact O-N 3.01Å; G853-F855 PolarHBondContact O-N 2.83Å; G853-R856 PolarHBondContact O-N 3.43Å | ||
| 854 | W | 72 | Confident | 63.3 | Low | 31 Ų | 31 | 70.4 Ų | 70.4 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.8 | -169.4 | -73 | 48.7 | 0 | 0 | 0 | 114.1 | L627 L684 A687 A688 S734 A735 L738 | L627-W854 HydrophobicContact CD1-CZ2 4.26Å; L684-W854 HydrophobicContact CD2-CD2 4.27Å; L684-W854 HydrophobicContact CD2-CZ2 4.46Å; A687-W854 HydrophobicContact CB-CE3 4.46Å; A687-W854 HydrophobicContact CB-CH2 4.02Å; A687-W854 HydrophobicContact CB-CZ3 3.5Å; A687-W854 VanDerWaalsContact CB-CZ3 3.5Å; A688-W854 HydrophobicContact CB-CH2 3.88Å; A688-W854 HydrophobicContact CB-CZ2 4.42Å; S734-W854 VanDerWaalsContact O-CZ3 3.3Å; S734-W854 WeakPolarHBondContact O-CZ3 3.25Å; S734-W854 WeakPolarHBondContact OG-CZ3 3.37Å; A735-W854 HydrophobicContact CB-CB 4.45Å; A735-W854 WeakPolarHBondContact CB-O 3.38Å; L738-W854 HydrophobicContact CB-CE3 4.18Å; L738-W854 HydrophobicContact CB-CZ3 4.47Å; L738-W854 HydrophobicContact CD2-CB 4.25Å; L738-W854 HydrophobicContact CD2-CD2 4.29Å; L738-W854 HydrophobicContact CD2-CE3 3.92Å; L738-W854 HydrophobicContact CD2-CG 4.43Å |
| 855 | F | 78.2 | Confident | 60.5 | Low | 5 Ų | 5 | 73.6 Ų | 73.6 | 2% | 0.022 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 7.3 | 177.7 | -55.2 | -45.5 | 0 | 0 | 0 | 113.9 | L738 F739 I742 Q847 L848 G853 L895 Q896 A899 | L738-F855 HydrophobicContact CB-CZ 4.29Å; L738-F855 HydrophobicContact CD2-CE1 4.26Å; L738-F855 HydrophobicContact CD2-CE2 4.19Å; L738-F855 HydrophobicContact CD2-CZ 3.63Å; L738-F855 HydrophobicContact CG-CZ 3.84Å; F739-F855 HydrophobicContact CB-CE1 3.77Å; F739-F855 HydrophobicContact CB-CZ 4.23Å; F739-F855 HydrophobicContact CD2-CD1 4.32Å; F739-F855 AromaticContact CD2-CE1 3.88Å; F739-F855 HydrophobicContact CD2-CE1 3.88Å; F739-F855 HydrophobicContact CD2-CZ 4.04Å; F739-F855 HydrophobicContact CG-CE1 4.31Å; I742-F855 HydrophobicContact CD1-CE2 3.9Å; I742-F855 HydrophobicContact CD1-CZ 3.74Å; Q847-F855 HydrophobicContact CB-CD2 3.57Å; Q847-F855 HydrophobicContact CB-CE2 3.89Å; Q847-F855 HydrophobicContact CG-CD2 4.38Å; Q847-F855 HydrophobicContact CG-CE2 4.2Å; L848-F855 HydrophobicContact CD2-CB 3.94Å; L848-F855 HydrophobicContact CG-CB 4.47Å; G853-F855 PolarHBondContact O-N 2.83Å; F855-L895 HydrophobicContact CD1-CD2 4.34Å; F855-L895 HydrophobicContact CD1-CG 4.4Å; F855-Q896 WeakPolarHBondContact O-CA 3.28Å; F855-Q896 VanDerWaalsContact O-CB 3.25Å; F855-Q896 WeakPolarHBondContact O-CB 3.34Å; F855-Q896 VanDerWaalsContact O-CG 3.32Å; F855-Q896 WeakPolarHBondContact O-CG 3.46Å; F855-A899 HydrophobicContact CB-CB 4.08Å; F855-A899 HydrophobicContact CD2-CB 4.48Å; F855-A899 HydrophobicContact CG-CB 4.2Å |
| 856 | R | 69.4 | Low | 57.5 | Low | 101 Ų | 101 | 77.7 Ų | 77.7 | 38% | 0.381 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -118 | 131.2 | -175.5 | -155.9 | -174.9 | -159.2 | 165.6 | 4.2 | 110.1 | L848 N849 G853 S858 | L848-R856 VanDerWaalsContact O-CD 3.25Å; L848-R856 WeakPolarHBondContact O-CD 3.42Å; L848-R856 PolarHBondContact O-NE 2.67Å; L848-R856 PolarHBondContact O-NH1 3.04Å; N849-R856 PolarHBondContact O-NH1 2.6Å; G853-R856 PolarHBondContact O-N 3.43Å; R856-S858 PolarHBondContact O-N 3.24Å |
| 857 | L | 61.9 | Low | 54.9 | Low | 42 Ų | 42 | 80.3 Ų | 80.3 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | trans | -47.5 | 126.7 | 176.9 | -88.9 | 139.9 | 0 | 0 | 0 | 112.1 | Y889 E892 V893 | L857-Y889 HydrophobicContact CD2-CD2 3.72Å; L857-Y889 HydrophobicContact CD2-CE2 3.41Å; L857-Y889 VanDerWaalsContact CD2-CE2 3.41Å; L857-Y889 HydrophobicContact CD2-CG 4.48Å; L857-E892 HydrophobicContact CD2-CB 3.82Å; L857-E892 HydrophobicContact CG-CB 4.06Å; L857-V893 HydrophobicContact CD1-CB 4.35Å; L857-V893 HydrophobicContact CD1-CG2 3.61Å; L857-V893 HydrophobicContact CD2-CG2 4.12Å; L857-V893 HydrophobicContact CG-CG2 4.41Å | ||
| 858 | S | 58.5 | Low | 52.1 | Low | 30 Ų | 30 | 86.8 Ų | 86.8 | 21% | 0.21 | 48% | 0.475 | C | S | . | . | trans | -72.8 | 126.9 | 176.2 | -90.5 | 0 | 0 | 0 | 0 | 110.2 | R856 S860 | R856-S858 PolarHBondContact O-N 3.24Å; S858-S860 PolarHBondContact O-N 3.38Å | ||
| 859 | P | 51 | Low | 49.5 | Very low | 102 Ų | 102 | 88.7 Ų | 88.7 | 66% | 0.662 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -70.1 | -0.5 | -176.1 | 26.1 | -32.2 | 0 | 0 | 0 | 114.3 | H861 | P859-H861 PolarHBondContact O-N 2.85Š|
| 860 | S | 47.5 | Very low | 47.1 | Very low | 83 Ų | 83 | 91 Ų | 91 | 58% | 0.58 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -70.8 | -7.5 | -175.2 | 43.6 | 0 | 0 | 0 | 0 | 115.5 | S858 | S858-S860 PolarHBondContact O-N 3.38Š|
| 861 | H | 44.3 | Very low | 44.9 | Very low | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -91.3 | -2.3 | 178.2 | -76.9 | -72.2 | 0 | 0 | 0 | 115.7 | P859 | P859-H861 PolarHBondContact O-N 2.85Š|
| 862 | H | 35.9 | Very low | 43.8 | Very low | 151 Ų | 151 | 92.6 Ų | 92.6 | 70% | 0.699 | 53% | 0.527 | S | S | * | . | trans | -110.3 | 78.5 | 172.9 | -79.1 | -57.3 | 0 | 0 | 0 | 112.3 | ||||
| 863 | S | 30.3 | Very low | 42.4 | Very low | 112 Ų | 112 | 99 Ų | 99 | 78% | 0.783 | 56% | 0.559 | S | S | * | * | trans | -119.1 | 57.2 | 155.4 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 864 | I | 31.4 | Very low | 40.4 | Very low | 160 Ų | 160 | 106.2 Ų | 106.2 | 82% | 0.821 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -129.8 | 112.3 | 161.6 | -62 | 177.5 | 0 | 0 | 0 | 107.7 | ||
| 865 | G | 29.1 | Very low | 38.4 | Very low | 66 Ų | 66 | 109.3 Ų | 109.3 | 68% | 0.68 | 62% | 0.618 | S | S | * | * | trans | 72.9 | 94.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | V867 | G865-V867 PolarHBondContact O-N 3.1Š| ||
| 866 | N | 26.2 | Very low | 36 | Very low | 161 Ų | 161 | 115.6 Ų | 115.6 | 86% | 0.861 | 66% | 0.657 | S | S | * | * | trans | -53.1 | 99.3 | 158.7 | -161 | 21.1 | 0 | 0 | 0 | 111 | ||||
| 867 | V | 29 | Very low | 34 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 78% | 0.782 | 68% | 0.684 | S | S | * | * | trans | -141.2 | 110.2 | 162.5 | -176.5 | 0 | 0 | 0 | 0 | 110 | G865 G869 | G865-V867 PolarHBondContact O-N 3.1Å; V867-G869 PolarHBondContact O-N 3.04Å | ||
| 868 | N | 26 | Very low | 32.4 | Very low | 161 Ų | 161 | 122.1 Ų | 122.1 | 86% | 0.861 | 71% | 0.706 | S | S | * | * | trans | -58.6 | 119.5 | 161.9 | -76.6 | -29.5 | 0 | 0 | 0 | 109.7 | ||||
| 869 | G | 27.2 | Very low | 31.1 | Very low | 56 Ų | 56 | 128 Ų | 128 | 58% | 0.577 | 74% | 0.735 | S | S | * | * | trans | -176.7 | 118.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V867 I871 | V867-G869 PolarHBondContact O-N 3.04Å; G869-I871 PolarHBondContact O-N 2.99Å | ||
| 870 | N | 26 | Very low | 30.5 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -50.4 | 131.8 | 168.9 | -75.3 | -30.7 | 0 | 0 | 0 | 110.6 | ||||
| 871 | I | 28.5 | Very low | 29.9 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | trans | -119.6 | 105 | 171.4 | -63 | 176.7 | 0 | 0 | 0 | 108.4 | G869 L873 | G869-I871 PolarHBondContact O-N 2.99Å; I871-L873 HydrophobicContact CG2-CD1 4.02Å; I871-L873 HydrophobicContact CG2-CG 4.05Å | ||
| 872 | H | 25.2 | Very low | 29.5 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 137.8 | 145.5 | -98.5 | -91.7 | 0 | 0 | 0 | 108 | D1189 | H872-D1189 IonicContact CE1-OD2 3.86Å; H872-D1189 PolarHBondContact CE1-OD2 2.84Å; H872-D1189 VanDerWaalsContact CE1-OD2 3.27Å; H872-D1189 IonicContact ND1-OD2 3.01Å | ||
| 873 | L | 28.5 | Very low | 29.6 | Very low | 142 Ų | 142 | 129 Ų | 129 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -122.9 | 96.4 | 178.2 | -121.7 | 151.4 | 0 | 0 | 0 | 109.7 | I871 | I871-L873 HydrophobicContact CG2-CD1 4.02Å; I871-L873 HydrophobicContact CG2-CG 4.05Å | ||
| 874 | E | 23.2 | Very low | 30.2 | Very low | 156 Ų | 156 | 130 Ų | 130 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | trans | -125.6 | 122.2 | 159.5 | -119.3 | -171.7 | 173.4 | 0 | 0 | 109.5 | M961 | E874-M961 HydrophobicContact CG-CE 3.5Š| ||
| 875 | S | 29.7 | Very low | 30.9 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 47.5 | 123.2 | 158 | 73.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 876 | T | 26.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | 179.7 | 128 | 115.4 | 28.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 877 | L | 28.3 | Very low | 33.7 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 94% | 0.942 | 73% | 0.726 | S | S | * | * | trans | -77.5 | 116.8 | 167.1 | -85.5 | 146.8 | 0 | 0 | 0 | 109.4 | ||||
| 878 | S | 28.3 | Very low | 35.1 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -169.7 | 133.3 | 144.7 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 879 | D | 30.8 | Very low | 37.2 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | 79.2 | 107 | 154.8 | -60.1 | -19 | 0 | 0 | 0 | 120.8 | ||||
| 880 | N | 37.4 | Very low | 39.3 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | trans | -8.6 | 130.4 | 158.8 | -75 | -30 | 0 | 0 | 0 | 117.2 | ||||
| 881 | P | 36.4 | Very low | 41.8 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | -120 | 131.1 | 130 | 33.5 | -22.6 | 0 | 0 | 0 | 110.3 | G883 | P881-G883 PolarHBondContact O-N 3.25Š| |||
| 882 | T | 34.4 | Very low | 44.1 | Very low | 152 Ų | 152 | 113.8 Ų | 113.8 | 93% | 0.933 | 62% | 0.623 | S | S | * | * | trans | -48.7 | 106.2 | 160.4 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 883 | G | 37.8 | Very low | 46.8 | Very low | 33 Ų | 33 | 109.3 Ų | 109.3 | 34% | 0.34 | 61% | 0.606 | S | S | . | * | trans | -151.9 | 77.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | P881 N885 T886 | P881-G883 PolarHBondContact O-N 3.25Å; G883-N885 PolarHBondContact O-N 3.19Å; G883-T886 PolarHBondContact O-N 3.36Å; G883-T886 PolarHBondContact O-OG1 2.93Å | ||
| 884 | L | 43.2 | Very low | 49.3 | Very low | 133 Ų | 133 | 104 Ų | 104 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -13.3 | 170.6 | -83.8 | 148.8 | 0 | 0 | 0 | 113.4 | ||
| 885 | N | 47.3 | Very low | 52.3 | Low | 123 Ų | 123 | 96.8 Ų | 96.8 | 66% | 0.658 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -82.2 | -6.6 | 177.7 | -64.2 | 8.2 | 0 | 0 | 0 | 113.7 | G883 | G883-N885 PolarHBondContact O-N 3.19Å |
| 886 | T | 55.4 | Low | 55.1 | Low | 93 Ų | 93 | 94 Ų | 94 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80.6 | -26.9 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | G883 M890 | G883-T886 PolarHBondContact O-N 3.36Å; G883-T886 PolarHBondContact O-OG1 2.93Å; T886-M890 WeakPolarHBondContact O-CG 3.36Å; T886-M890 PolarHBondContact O-N 3.16Å; T886-M890 VanDerWaalsContact O-N 3.15Å |
| 887 | E | 58.7 | Low | 57.9 | Low | 123 Ų | 123 | 95.2 Ų | 95.2 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.1 | -45.5 | -178.4 | -70.5 | -172.4 | 165.5 | 0 | 0 | 112 | Y889 M890 D891 | E887-Y889 VanDerWaalsContact C-N 3.35Å; E887-Y889 PolarHBondContact O-N 3.31Å; E887-M890 WeakPolarHBondContact O-CB 3.32Å; E887-M890 PolarHBondContact O-N 3.42Å; E887-M890 VanDerWaalsContact O-N 3.16Å; E887-D891 PolarHBondContact O-N 3.31Å |
| 888 | E | 57.8 | Low | 60.7 | Low | 64 Ų | 64 | 86.8 Ų | 86.8 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 177.4 | -74 | 177.5 | 165.5 | 0 | 0 | 112.6 | M890 D891 E892 | E888-M890 VanDerWaalsContact C-N 3.32Å; E888-M890 PolarHBondContact O-N 2.84Å; E888-D891 PolarHBondContact O-N 3.32Å; E888-E892 PolarHBondContact O-N 3.43Å |
| 889 | Y | 69.9 | Low | 63.6 | Low | 98 Ų | 98 | 82.1 Ų | 82.1 | 38% | 0.384 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.9 | -175.7 | -93.2 | 0 | 0 | 0 | 111.7 | L857 E887 D891 E892 V893 | L857-Y889 HydrophobicContact CD2-CD2 3.72Å; L857-Y889 HydrophobicContact CD2-CE2 3.41Å; L857-Y889 VanDerWaalsContact CD2-CE2 3.41Å; L857-Y889 HydrophobicContact CD2-CG 4.48Å; E887-Y889 VanDerWaalsContact C-N 3.35Å; E887-Y889 PolarHBondContact O-N 3.31Å; Y889-D891 VanDerWaalsContact C-N 3.34Å; Y889-E892 PolarHBondContact O-N 3.46Å; Y889-V893 HydrophobicContact CD1-CG2 4.02Å; Y889-V893 HydrophobicContact CE1-CG2 3.7Å; Y889-V893 WeakPolarHBondContact O-CG2 3.37Å; Y889-V893 PolarHBondContact O-N 3.48Å |
| 890 | M | 71.4 | Confident | 66.3 | Low | 124 Ų | 124 | 78.9 Ų | 78.9 | 61% | 0.611 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.2 | -36.5 | 176.2 | -70.3 | -68.1 | -70.2 | 0 | 0 | 111.9 | T886 E887 E888 V893 A894 | T886-M890 WeakPolarHBondContact O-CG 3.36Å; T886-M890 PolarHBondContact O-N 3.16Å; T886-M890 VanDerWaalsContact O-N 3.15Å; E887-M890 WeakPolarHBondContact O-CB 3.32Å; E887-M890 PolarHBondContact O-N 3.42Å; E887-M890 VanDerWaalsContact O-N 3.16Å; E888-M890 VanDerWaalsContact C-N 3.32Å; E888-M890 PolarHBondContact O-N 2.84Å; M890-V893 PolarHBondContact O-N 2.98Å; M890-A894 WeakPolarHBondContact O-CB 3.5Å; M890-A894 PolarHBondContact O-N 2.91Å |
| 891 | D | 77.8 | Confident | 68.8 | Low | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.064 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.9 | -71.8 | -21.8 | 0 | 0 | 0 | 111.8 | L11 R700 I732 E887 E888 Y889 A894 L895 | L11-D891 HydrophobicContact CD1-CB 4.4Å; R700-D891 WeakPolarHBondContact CD-OD2 3.39Å; R700-D891 IonicContact NE-OD2 2.96Å; R700-D891 IonicContact NH1-OD2 2.84Å; R700-D891 PolarHBondContact NH1-OD2 3.14Å; I732-D891 HydrophobicContact CD1-CB 3.6Å; E887-D891 PolarHBondContact O-N 3.31Å; E888-D891 PolarHBondContact O-N 3.32Å; Y889-D891 VanDerWaalsContact C-N 3.34Å; D891-A894 PolarHBondContact O-N 2.89Å; D891-L895 WeakPolarHBondContact O-CB 3.48Å; D891-L895 PolarHBondContact O-N 3.35Å |
| 892 | E | 77.8 | Confident | 71.3 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 19% | 0.192 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.4 | -73.5 | -162.1 | 163.4 | 0 | 0 | 111.7 | I732 L857 E888 Y889 A894 L895 Q896 | I732-E892 HydrophobicContact CD1-CB 4.39Å; I732-E892 HydrophobicContact CD1-CG 3.49Å; I732-E892 VanDerWaalsContact CD1-CG 3.49Å; I732-E892 HydrophobicContact CG1-CG 4.06Å; L857-E892 HydrophobicContact CD2-CB 3.82Å; L857-E892 HydrophobicContact CG-CB 4.06Å; E888-E892 PolarHBondContact O-N 3.43Å; Y889-E892 PolarHBondContact O-N 3.46Å; E892-A894 VanDerWaalsContact C-N 3.35Å; E892-L895 PolarHBondContact O-N 2.95Å; E892-Q896 WeakPolarHBondContact O-CB 3.2Å; E892-Q896 PolarHBondContact O-N 3.17Å |
| 893 | V | 81 | Confident | 74 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 33% | 0.327 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L857 Y889 M890 Q896 R897 | L857-V893 HydrophobicContact CD1-CB 4.35Å; L857-V893 HydrophobicContact CD1-CG2 3.61Å; L857-V893 HydrophobicContact CD2-CG2 4.12Å; L857-V893 HydrophobicContact CG-CG2 4.41Å; Y889-V893 HydrophobicContact CD1-CG2 4.02Å; Y889-V893 HydrophobicContact CE1-CG2 3.7Å; Y889-V893 WeakPolarHBondContact O-CG2 3.37Å; Y889-V893 PolarHBondContact O-N 3.48Å; M890-V893 PolarHBondContact O-N 2.98Å; V893-Q896 PolarHBondContact O-N 3.16Å; V893-R897 WeakPolarHBondContact O-CB 3.37Å; V893-R897 PolarHBondContact O-N 3.47Å |
| 894 | A | 82.7 | Confident | 76.5 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L11 M890 D891 E892 R897 L898 | L11-A894 HydrophobicContact CB-CB 4.36Å; L11-A894 HydrophobicContact CD2-CB 4.23Å; M890-A894 WeakPolarHBondContact O-CB 3.5Å; M890-A894 PolarHBondContact O-N 2.91Å; D891-A894 PolarHBondContact O-N 2.89Å; E892-A894 VanDerWaalsContact C-N 3.35Å; A894-R897 PolarHBondContact O-N 3.22Å; A894-L898 WeakPolarHBondContact O-CB 3.43Å; A894-L898 PolarHBondContact O-N 3.27Å |
| 895 | L | 86.2 | Confident | 78.7 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.3 | -177.2 | 60.9 | 0 | 0 | 0 | 112.2 | L11 A735 L736 F739 F855 D891 E892 R897 L898 A899 | L11-L895 HydrophobicContact CD2-CB 4.22Å; L11-L895 HydrophobicContact CD2-CD1 4.41Å; A735-L895 HydrophobicContact CB-CD2 3.61Å; L736-L895 HydrophobicContact CD2-CD1 3.98Å; L736-L895 HydrophobicContact CD2-CD2 4.26Å; L736-L895 HydrophobicContact CG-CD2 4.43Å; F739-L895 HydrophobicContact CB-CD1 4.05Å; F739-L895 HydrophobicContact CD1-CD1 4.22Å; F739-L895 HydrophobicContact CD2-CD1 4.27Å; F739-L895 HydrophobicContact CG-CD1 3.89Å; F855-L895 HydrophobicContact CD1-CD2 4.34Å; F855-L895 HydrophobicContact CD1-CG 4.4Å; D891-L895 WeakPolarHBondContact O-CB 3.48Å; D891-L895 PolarHBondContact O-N 3.35Å; E892-L895 PolarHBondContact O-N 2.95Å; L895-R897 VanDerWaalsContact C-N 3.35Å; L895-R897 PolarHBondContact O-N 2.96Å; L895-L898 PolarHBondContact O-N 2.68Å; L895-A899 WeakPolarHBondContact O-CB 3.41Å; L895-A899 PolarHBondContact O-N 3.48Å |
| 896 | Q | 87.2 | Confident | 80.8 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 176.2 | -178.1 | 175.8 | -28.9 | 0 | 0 | 110.8 | L848 F855 E892 V893 L898 A899 E900 | L848-Q896 HydrophobicContact CD2-CG 4.2Å; F855-Q896 WeakPolarHBondContact O-CA 3.28Å; F855-Q896 VanDerWaalsContact O-CB 3.25Å; F855-Q896 WeakPolarHBondContact O-CB 3.34Å; F855-Q896 VanDerWaalsContact O-CG 3.32Å; F855-Q896 WeakPolarHBondContact O-CG 3.46Å; E892-Q896 WeakPolarHBondContact O-CB 3.2Å; E892-Q896 PolarHBondContact O-N 3.17Å; V893-Q896 PolarHBondContact O-N 3.16Å; Q896-L898 VanDerWaalsContact C-N 3.34Å; Q896-L898 PolarHBondContact O-N 3.24Å; Q896-A899 PolarHBondContact O-N 3.24Å; Q896-E900 PolarHBondContact NE2-OE1 3.33Å; Q896-E900 WeakPolarHBondContact O-CG 3.44Å; Q896-E900 PolarHBondContact O-N 3.41Å |
| 897 | R | 85.9 | Confident | 82.4 | Confident | 164 Ų | 164 | 50.4 Ų | 50.4 | 62% | 0.619 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.7 | -45.4 | 176 | 178.1 | -178.9 | 170 | 169.5 | -1.5 | 111.6 | V893 A894 L895 A899 E900 E901 | V893-R897 WeakPolarHBondContact O-CB 3.37Å; V893-R897 PolarHBondContact O-N 3.47Å; A894-R897 PolarHBondContact O-N 3.22Å; L895-R897 VanDerWaalsContact C-N 3.35Å; L895-R897 PolarHBondContact O-N 2.96Å; R897-A899 VanDerWaalsContact C-N 3.28Å; R897-A899 PolarHBondContact O-N 2.92Å; R897-E900 PolarHBondContact O-N 3.28Å; R897-E901 HydrophobicContact CG-CG 4.44Å; R897-E901 IonicContact CZ-OE1 2.82Å; R897-E901 IonicContact NE-OE1 3.59Å; R897-E901 PolarHBondContact NE-OE1 2.72Å; R897-E901 IonicContact NH2-OE1 2.88Å; R897-E901 PolarHBondContact NH2-OE1 3.36Å; R897-E901 WeakPolarHBondContact O-CG 3.25Å; R897-E901 PolarHBondContact O-N 3.02Å |
| 898 | L | 87.4 | Confident | 83.8 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | 179.2 | -133.2 | 161.6 | 0 | 0 | 0 | 111.2 | L11 P15 W18 F739 A894 L895 Q896 L902 | L11-L898 HydrophobicContact CD2-CD1 4.21Å; L11-L898 WeakPolarHBondContact O-CD1 3.33Å; P15-L898 HydrophobicContact CB-CD2 4.3Å; P15-L898 HydrophobicContact CG-CD2 3.95Å; W18-L898 HydrophobicContact CZ2-CD1 4.15Å; F739-L898 HydrophobicContact CE1-CD2 3.6Å; F739-L898 HydrophobicContact CZ-CB 4.32Å; F739-L898 HydrophobicContact CZ-CD2 3.65Å; A894-L898 WeakPolarHBondContact O-CB 3.43Å; A894-L898 PolarHBondContact O-N 3.27Å; L895-L898 PolarHBondContact O-N 2.68Å; Q896-L898 VanDerWaalsContact C-N 3.34Å; Q896-L898 PolarHBondContact O-N 3.24Å; L898-L902 WeakPolarHBondContact O-CB 3.21Å; L898-L902 PolarHBondContact O-N 2.99Å |
| 899 | A | 88.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F739 L848 F855 L895 Q896 R897 L902 H903 | F739-A899 HydrophobicContact CD2-CB 4.31Å; F739-A899 HydrophobicContact CE2-CB 3.78Å; L848-A899 HydrophobicContact CD2-CB 4.21Å; F855-A899 HydrophobicContact CB-CB 4.08Å; F855-A899 HydrophobicContact CD2-CB 4.48Å; F855-A899 HydrophobicContact CG-CB 4.2Å; L895-A899 WeakPolarHBondContact O-CB 3.41Å; L895-A899 PolarHBondContact O-N 3.48Å; Q896-A899 PolarHBondContact O-N 3.24Å; R897-A899 VanDerWaalsContact C-N 3.28Å; R897-A899 PolarHBondContact O-N 2.92Å; A899-L902 PolarHBondContact O-N 3.4Å; A899-H903 PolarHBondContact O-N 2.85Å |
| 900 | E | 88.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 38.3 Ų | 38.3 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65 | -43.3 | 173.5 | -70.6 | 172.5 | -171.5 | 0 | 0 | 111.5 | L848 Q896 R897 H903 H904 | L848-E900 HydrophobicContact CD1-CG 4.16Å; L848-E900 HydrophobicContact CD2-CG 4.26Å; Q896-E900 PolarHBondContact NE2-OE1 3.33Å; Q896-E900 WeakPolarHBondContact O-CG 3.44Å; Q896-E900 PolarHBondContact O-N 3.41Å; R897-E900 PolarHBondContact O-N 3.28Å; E900-H903 PolarHBondContact O-N 3.03Å; E900-H904 PolarHBondContact O-N 3.44Å; E900-H904 VanDerWaalsContact O-N 3.09Å |
| 901 | E | 88.2 | Confident | 87.2 | Confident | 64 Ų | 64 | 33 Ų | 33 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.1 | -72.4 | -177.5 | -172.2 | 0 | 0 | 111.7 | P15 R897 H904 L905 | P15-E901 WeakPolarHBondContact CD-OE2 3.35Å; P15-E901 HydrophobicContact CG-CB 3.6Å; R897-E901 HydrophobicContact CG-CG 4.44Å; R897-E901 IonicContact CZ-OE1 2.82Å; R897-E901 IonicContact NE-OE1 3.59Å; R897-E901 PolarHBondContact NE-OE1 2.72Å; R897-E901 IonicContact NH2-OE1 2.88Å; R897-E901 PolarHBondContact NH2-OE1 3.36Å; R897-E901 WeakPolarHBondContact O-CG 3.25Å; R897-E901 PolarHBondContact O-N 3.02Å; E901-H904 PolarHBondContact O-N 3.07Å; E901-L905 PolarHBondContact O-N 3.25Å |
| 902 | L | 90.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.6 | -180 | 63.5 | 0 | 0 | 0 | 111.6 | P15 F739 I742 L746 I844 L898 A899 H904 L905 L906 | P15-L902 HydrophobicContact CB-CB 4.07Å; P15-L902 HydrophobicContact CB-CD1 3.92Å; P15-L902 HydrophobicContact CG-CB 4.18Å; F739-L902 HydrophobicContact CE1-CD2 4.49Å; F739-L902 HydrophobicContact CE2-CB 4.41Å; F739-L902 HydrophobicContact CE2-CD2 3.66Å; F739-L902 HydrophobicContact CZ-CB 4.1Å; F739-L902 HydrophobicContact CZ-CD2 3.59Å; F739-L902 HydrophobicContact CZ-CG 4.46Å; I742-L902 HydrophobicContact CG2-CD2 4.07Å; L746-L902 HydrophobicContact CD2-CD1 3.73Å; I844-L902 HydrophobicContact CD1-CD2 3.62Å; I844-L902 HydrophobicContact CD1-CG 3.94Å; L898-L902 WeakPolarHBondContact O-CB 3.21Å; L898-L902 PolarHBondContact O-N 2.99Å; A899-L902 PolarHBondContact O-N 3.4Å; L902-H904 VanDerWaalsContact C-N 3.32Å; L902-H904 PolarHBondContact O-N 2.9Å; L902-L905 HydrophobicContact CD1-CD2 4.4Å; L902-L905 WeakPolarHBondContact O-CB 3.4Å; L902-L905 PolarHBondContact O-N 2.93Å; L902-L906 HydrophobicContact CD1-CD1 4.47Å; L902-L906 HydrophobicContact CD1-CG 4.4Å; L902-L906 HydrophobicContact CG-CD1 4.09Å; L902-L906 HydrophobicContact CG-CG 4.49Å; L902-L906 VanDerWaalsContact O-CG 3.29Å; L902-L906 WeakPolarHBondContact O-CG 3.36Å; L902-L906 PolarHBondContact O-N 3.38Å |
| 903 | H | 91.2 | Very high | 88.3 | Confident | 28 Ų | 28 | 30.5 Ų | 30.5 | 13% | 0.13 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 174.8 | 177.1 | 85.3 | 0 | 0 | 0 | 111.6 | Q841 I844 Q845 A899 E900 L906 S907 | Q841-H903 WeakPolarHBondContact CG-CE1 3.44Å; Q841-H903 WeakPolarHBondContact CG-ND1 3.5Å; Q841-H903 PolarHBondContact NE2-CE1 3.49Å; Q841-H903 PolarHBondContact NE2-NE2 2.88Å; I844-H903 HydrophobicContact CG2-CB 4.15Å; Q845-H903 PolarHBondContact OE1-CE1 3.32Å; Q845-H903 PolarHBondContact OE1-ND1 2.97Å; Q845-H903 PolarHBondContact OE1-NE2 3.3Å; A899-H903 PolarHBondContact O-N 2.85Å; E900-H903 PolarHBondContact O-N 3.03Å; H903-L906 PolarHBondContact O-N 3.21Å; H903-S907 PolarHBondContact O-N 3.3Å |
| 904 | H | 88.9 | Confident | 88.7 | Confident | 92 Ų | 92 | 28 Ų | 28 | 43% | 0.426 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 175.4 | -78.9 | -30 | 0 | 0 | 0 | 113.1 | E900 E901 L902 S907 M908 | E900-H904 PolarHBondContact O-N 3.44Å; E900-H904 VanDerWaalsContact O-N 3.09Å; E901-H904 PolarHBondContact O-N 3.07Å; L902-H904 VanDerWaalsContact C-N 3.32Å; L902-H904 PolarHBondContact O-N 2.9Å; H904-S907 WeakPolarHBondContact O-CB 3.38Å; H904-S907 PolarHBondContact O-N 3.46Å; H904-M908 VanDerWaalsContact O-CG 3.27Å; H904-M908 WeakPolarHBondContact O-CG 3.37Å; H904-M908 PolarHBondContact O-N 2.91Å; H904-M908 VanDerWaalsContact O-N 3.09Å |
| 905 | L | 90 | Very high | 89 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.7 | 178.7 | 63.1 | 0 | 0 | 0 | 111.5 | P15 W754 E901 L902 S907 M908 I909 I948 | P15-L905 HydrophobicContact CB-CD2 3.98Å; W754-L905 HydrophobicContact CH2-CD1 4.12Å; E901-L905 PolarHBondContact O-N 3.25Å; L902-L905 HydrophobicContact CD1-CD2 4.4Å; L902-L905 WeakPolarHBondContact O-CB 3.4Å; L902-L905 PolarHBondContact O-N 2.93Å; L905-S907 VanDerWaalsContact C-N 3.29Å; L905-S907 PolarHBondContact O-N 3.35Å; L905-M908 WeakPolarHBondContact O-CB 3.16Å; L905-M908 PolarHBondContact O-N 3.03Å; L905-M908 VanDerWaalsContact O-N 3.13Å; L905-I909 HydrophobicContact CD1-CD1 4.35Å; L905-I909 HydrophobicContact CG-CD1 4.06Å; L905-I909 WeakPolarHBondContact O-CG1 3.42Å; L905-I909 PolarHBondContact O-N 2.88Å; L905-I948 HydrophobicContact CD1-CD1 4.27Å; L905-I948 HydrophobicContact CD1-CG2 3.58Å |
| 906 | L | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 177.2 | -69.9 | 163.5 | 0 | 0 | 0 | 111.9 | L746 I837 L840 Q841 I844 L902 H903 M908 I909 A910 | L746-L906 HydrophobicContact CD1-CD2 3.6Å; L746-L906 HydrophobicContact CD2-CD2 3.92Å; L746-L906 HydrophobicContact CG-CD2 4.35Å; I837-L906 HydrophobicContact CD1-CD2 4.04Å; I837-L906 HydrophobicContact CG2-CB 4.22Å; I837-L906 HydrophobicContact CG2-CD2 4.01Å; I837-L906 WeakPolarHBondContact CG2-O 2.99Å; L840-L906 HydrophobicContact CD2-CD1 3.58Å; L840-L906 HydrophobicContact CD2-CD2 4.14Å; Q841-L906 HydrophobicContact CB-CB 4.2Å; Q841-L906 HydrophobicContact CB-CD1 4.46Å; Q841-L906 HydrophobicContact CG-CB 4.46Å; I844-L906 HydrophobicContact CD1-CD1 3.47Å; I844-L906 VanDerWaalsContact CD1-CD1 3.47Å; L902-L906 HydrophobicContact CD1-CD1 4.47Å; L902-L906 HydrophobicContact CD1-CG 4.4Å; L902-L906 HydrophobicContact CG-CD1 4.09Å; L902-L906 HydrophobicContact CG-CG 4.49Å; L902-L906 VanDerWaalsContact O-CG 3.29Å; L902-L906 WeakPolarHBondContact O-CG 3.36Å; L902-L906 PolarHBondContact O-N 3.38Å; H903-L906 PolarHBondContact O-N 3.21Å; L906-M908 VanDerWaalsContact C-N 3.35Å; L906-M908 PolarHBondContact O-N 3.45Å; L906-I909 PolarHBondContact O-N 2.8Å; L906-A910 WeakPolarHBondContact O-CB 3.49Å; L906-A910 PolarHBondContact O-N 3.44Å |
| 907 | S | 90.3 | Very high | 89.3 | Confident | 21 Ų | 21 | 25.7 Ų | 25.7 | 15% | 0.147 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 174.7 | -159 | 0 | 0 | 0 | 0 | 111.7 | H903 H904 L905 A910 E911 | H903-S907 PolarHBondContact O-N 3.3Å; H904-S907 WeakPolarHBondContact O-CB 3.38Å; H904-S907 PolarHBondContact O-N 3.46Å; L905-S907 VanDerWaalsContact C-N 3.29Å; L905-S907 PolarHBondContact O-N 3.35Å; S907-A910 PolarHBondContact O-N 2.66Å; S907-E911 WeakPolarHBondContact O-CG 3.4Å; S907-E911 PolarHBondContact O-N 2.78Å |
| 908 | M | 87.3 | Confident | 89.3 | Confident | 23 Ų | 23 | 18 Ų | 18 | 11% | 0.113 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 176.8 | -61.1 | -107.8 | 55.1 | 0 | 0 | 111.6 | H904 L905 L906 E911 I912 I948 L951 R1066 | H904-M908 VanDerWaalsContact O-CG 3.27Å; H904-M908 WeakPolarHBondContact O-CG 3.37Å; H904-M908 PolarHBondContact O-N 2.91Å; H904-M908 VanDerWaalsContact O-N 3.09Å; L905-M908 WeakPolarHBondContact O-CB 3.16Å; L905-M908 PolarHBondContact O-N 3.03Å; L905-M908 VanDerWaalsContact O-N 3.13Å; L906-M908 VanDerWaalsContact C-N 3.35Å; L906-M908 PolarHBondContact O-N 3.45Å; M908-E911 PolarHBondContact O-N 3.26Å; M908-I912 PolarHBondContact O-N 3.31Å; M908-I912 VanDerWaalsContact O-N 3.14Å; M908-I948 HydrophobicContact CB-CD1 4.49Å; M908-L951 HydrophobicContact CE-CD1 3.71Å; M908-L951 HydrophobicContact SD-CD1 3.86Å; M908-R1066 HydrophobicContact CE-CB 4.47Å; M908-R1066 PolarHBondContact SD-NH1 2.73Å; M908-R1066 VanDerWaalsContact SD-NH1 3.37Å |
| 909 | I | 90.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 176.3 | -65.1 | 168.8 | 0 | 0 | 0 | 110.6 | F753 W754 I837 L905 L906 E911 I912 L913 I948 | F753-I909 HydrophobicContact CE2-CG2 3.68Å; F753-I909 HydrophobicContact CZ-CG2 3.65Å; W754-I909 HydrophobicContact CE3-CD1 4.25Å; W754-I909 HydrophobicContact CH2-CD1 4.48Å; W754-I909 HydrophobicContact CZ3-CD1 3.63Å; W754-I909 HydrophobicContact CZ3-CG1 3.85Å; I837-I909 HydrophobicContact CD1-CG2 3.76Å; I837-I909 HydrophobicContact CG1-CG2 4.05Å; I837-I909 HydrophobicContact CG2-CB 4.47Å; I837-I909 HydrophobicContact CG2-CG2 4.36Å; L905-I909 HydrophobicContact CD1-CD1 4.35Å; L905-I909 HydrophobicContact CG-CD1 4.06Å; L905-I909 WeakPolarHBondContact O-CG1 3.42Å; L905-I909 PolarHBondContact O-N 2.88Å; L906-I909 PolarHBondContact O-N 2.8Å; I909-E911 PolarHBondContact O-N 3.38Å; I909-I912 PolarHBondContact O-N 3.33Å; I909-L913 HydrophobicContact CG2-CD1 3.81Å; I909-L913 HydrophobicContact CG2-CG 4.21Å; I909-L913 WeakPolarHBondContact O-CB 3.46Å; I909-L913 WeakPolarHBondContact O-CG 3.45Å; I909-L913 PolarHBondContact O-N 3.1Å; I909-I948 HydrophobicContact CD1-CD1 4.48Å; I909-I948 HydrophobicContact CG1-CD1 3.52Å |
| 910 | A | 90.5 | Very high | 88.9 | Confident | 7 Ų | 7 | 18.6 Ų | 18.6 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R834 I837 I838 L906 S907 G914 | R834-A910 PolarHBondContact NE-O 3.36Å; I837-A910 HydrophobicContact CG2-CB 3.92Å; I838-A910 HydrophobicContact CG1-CB 4.32Å; L906-A910 WeakPolarHBondContact O-CB 3.49Å; L906-A910 PolarHBondContact O-N 3.44Å; S907-A910 PolarHBondContact O-N 2.66Å; A910-G914 PolarHBondContact O-N 3.09Å |
| 911 | E | 90.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 18.1 Ų | 18.1 | 6% | 0.061 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.2 | -74 | -177.5 | -139.3 | 0 | 0 | 111.2 | S907 M908 I909 G914 F915 C1064 R1066 | S907-E911 WeakPolarHBondContact O-CG 3.4Å; S907-E911 PolarHBondContact O-N 2.78Å; M908-E911 PolarHBondContact O-N 3.26Å; I909-E911 PolarHBondContact O-N 3.38Å; E911-G914 PolarHBondContact O-N 2.94Å; E911-F915 PolarHBondContact O-N 3.47Å; E911-C1064 HydrophobicContact CB-CB 4.19Å; E911-R1066 WeakPolarHBondContact OE1-CD 3.35Å; E911-R1066 IonicContact OE1-CZ 2.89Å; E911-R1066 IonicContact OE1-NE 3.48Å; E911-R1066 PolarHBondContact OE1-NE 3.29Å; E911-R1066 VanDerWaalsContact OE2-CB 3.25Å; E911-R1066 WeakPolarHBondContact OE2-CB 3.32Å; E911-R1066 WeakPolarHBondContact OE2-CG 3.35Å; E911-R1066 PolarHBondContact OE2-N 2.97Å |
| 912 | I | 89.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.4 | -39.9 | 179.5 | -119.9 | 174.7 | 0 | 0 | 0 | 112.9 | M908 I909 G914 F915 W916 I944 Y947 I1015 L1067 | M908-I912 PolarHBondContact O-N 3.31Å; M908-I912 VanDerWaalsContact O-N 3.14Å; I909-I912 PolarHBondContact O-N 3.33Å; I912-G914 VanDerWaalsContact C-N 3.26Å; I912-G914 PolarHBondContact O-N 3.34Å; I912-F915 PolarHBondContact O-N 3.48Å; I912-W916 WeakPolarHBondContact O-CB 3.31Å; I912-W916 PolarHBondContact O-N 3.37Å; I912-I944 HydrophobicContact CG2-CD1 3.75Å; I912-I944 HydrophobicContact CG2-CG1 3.78Å; I912-I944 HydrophobicContact CG2-CG2 4.08Å; I912-Y947 HydrophobicContact CD1-CD1 2.94Å; I912-Y947 HydrophobicContact CD1-CD2 4.34Å; I912-Y947 HydrophobicContact CD1-CE1 3.19Å; I912-Y947 HydrophobicContact CD1-CG 3.55Å; I912-Y947 HydrophobicContact CG1-CD1 4.21Å; I912-Y947 HydrophobicContact CG1-CE1 4.04Å; I912-I1015 HydrophobicContact CD1-CD1 3.74Å; I912-I1015 HydrophobicContact CG1-CD1 4.02Å; I912-L1067 HydrophobicContact CG1-CD1 4.35Å |
| 913 | L | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 175 | -72.6 | 174.8 | 0 | 0 | 0 | 109.9 | F753 I830 L833 R834 I837 I909 W916 E917 I944 | F753-L913 HydrophobicContact CE1-CD1 4.31Å; F753-L913 HydrophobicContact CG-CD2 4.38Å; F753-L913 HydrophobicContact CZ-CD1 4.29Å; I830-L913 HydrophobicContact CG2-CB 4.34Å; I830-L913 HydrophobicContact CG2-CD2 4.41Å; I830-L913 WeakPolarHBondContact CG2-O 3.39Å; L833-L913 HydrophobicContact CB-CD1 4.23Å; R834-L913 HydrophobicContact CB-CB 4.17Å; R834-L913 HydrophobicContact CG-CB 4.4Å; I837-L913 HydrophobicContact CG1-CD1 3.96Å; I909-L913 HydrophobicContact CG2-CD1 3.81Å; I909-L913 HydrophobicContact CG2-CG 4.21Å; I909-L913 WeakPolarHBondContact O-CB 3.46Å; I909-L913 WeakPolarHBondContact O-CG 3.45Å; I909-L913 PolarHBondContact O-N 3.1Å; L913-W916 HydrophobicContact CD2-CE3 3.98Å; L913-W916 HydrophobicContact CD2-CZ3 4.35Å; L913-W916 PolarHBondContact O-N 3.24Å; L913-E917 WeakPolarHBondContact O-CB 3.39Å; L913-E917 PolarHBondContact O-N 3.21Å; L913-I944 HydrophobicContact CD2-CD1 4.17Å |
| 914 | G | 88.3 | Confident | 87 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A910 E911 I912 E917 I918 | A910-G914 PolarHBondContact O-N 3.09Å; E911-G914 PolarHBondContact O-N 2.94Å; I912-G914 VanDerWaalsContact C-N 3.26Å; I912-G914 PolarHBondContact O-N 3.34Å; G914-E917 WeakPolarHBondContact O-CB 3.44Å; G914-E917 PolarHBondContact O-N 3.06Å; G914-I918 WeakPolarHBondContact O-CG1 3.46Å; G914-I918 PolarHBondContact O-N 3.13Å; G914-I918 VanDerWaalsContact O-N 3.16Å |
| 915 | F | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 171.5 | 173.4 | -114.6 | 0 | 0 | 0 | 111.9 | E911 I912 E917 I918 L919 I1015 L1018 I1019 L1022 L1060 | E911-F915 PolarHBondContact O-N 3.47Å; I912-F915 PolarHBondContact O-N 3.48Å; F915-E917 VanDerWaalsContact C-N 3.34Å; F915-I918 PolarHBondContact O-N 3.25Å; F915-L919 HydrophobicContact CD1-CD1 3.99Å; F915-L919 HydrophobicContact CE1-CD1 3.3Å; F915-L919 HydrophobicContact CE1-CG 4.41Å; F915-L919 HydrophobicContact CE2-CD1 3.94Å; F915-L919 HydrophobicContact CE2-CG 4.24Å; F915-L919 HydrophobicContact CZ-CD1 3.29Å; F915-L919 HydrophobicContact CZ-CG 4.03Å; F915-L919 PolarHBondContact O-N 3.37Å; F915-I1015 HydrophobicContact CD1-CG2 4.15Å; F915-I1015 HydrophobicContact CE1-CG2 3.79Å; F915-I1015 HydrophobicContact CZ-CG2 4.33Å; F915-L1018 HydrophobicContact CE1-CB 4.35Å; F915-L1018 HydrophobicContact CZ-CB 4.01Å; F915-I1019 HydrophobicContact CD2-CG1 4.19Å; F915-I1019 HydrophobicContact CE2-CB 4.5Å; F915-I1019 HydrophobicContact CE2-CD1 4.35Å; F915-I1019 HydrophobicContact CE2-CG1 3.41Å; F915-I1019 VanDerWaalsContact CE2-CG1 3.41Å; F915-I1019 HydrophobicContact CZ-CG1 3.58Å; F915-L1022 HydrophobicContact CE2-CD2 4.42Å; F915-L1060 HydrophobicContact CD2-CD2 3.91Å; F915-L1060 HydrophobicContact CE2-CD2 4.31Å |
| 916 | W | 90 | Very high | 86.2 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 176.5 | -170.2 | 14.1 | 0 | 0 | 0 | 112.4 | F753 M758 S823 R824 L825 I830 I912 L913 I918 L919 S920 | F753-W916 HydrophobicContact CB-CZ3 4.33Å; M758-W916 HydrophobicContact CB-CD2 4.46Å; M758-W916 HydrophobicContact CB-CZ2 4.29Å; M758-W916 HydrophobicContact CE-CB 3.54Å; M758-W916 HydrophobicContact CE-CD2 3.87Å; M758-W916 HydrophobicContact CE-CE3 4.48Å; M758-W916 HydrophobicContact CE-CG 3.42Å; M758-W916 VanDerWaalsContact CE-CG 3.42Å; M758-W916 HydrophobicContact CG-CD2 4.38Å; M758-W916 HydrophobicContact CG-CE3 4.49Å; M758-W916 VanDerWaalsContact O-CZ2 3.27Å; M758-W916 WeakPolarHBondContact O-CZ2 3.12Å; S823-W916 PolarHBondContact OG-NE1 2.83Å; R824-W916 HydrophobicContact CB-CZ2 4.25Å; L825-W916 HydrophobicContact CB-CH2 3.77Å; L825-W916 HydrophobicContact CB-CZ2 3.83Å; L825-W916 HydrophobicContact CD1-CH2 3.36Å; L825-W916 HydrophobicContact CD1-CZ2 4.28Å; L825-W916 HydrophobicContact CD1-CZ3 3.62Å; L825-W916 HydrophobicContact CG-CH2 3.47Å; L825-W916 VanDerWaalsContact CG-CH2 3.47Å; L825-W916 HydrophobicContact CG-CZ2 3.99Å; L825-W916 HydrophobicContact CG-CZ3 4.23Å; I830-W916 HydrophobicContact CD1-CB 4.48Å; I830-W916 HydrophobicContact CD1-CD2 3.62Å; I830-W916 HydrophobicContact CD1-CE3 4.14Å; I830-W916 HydrophobicContact CD1-CG 3.77Å; I830-W916 HydrophobicContact CD1-CZ2 4.26Å; I830-W916 HydrophobicContact CG1-CD2 4.04Å; I830-W916 HydrophobicContact CG1-CE3 4.03Å; I830-W916 HydrophobicContact CG1-CZ3 4.32Å; I830-W916 HydrophobicContact CG2-CB 4.42Å; I830-W916 HydrophobicContact CG2-CE3 4.38Å; I912-W916 WeakPolarHBondContact O-CB 3.31Å; I912-W916 PolarHBondContact O-N 3.37Å; L913-W916 HydrophobicContact CD2-CE3 3.98Å; L913-W916 HydrophobicContact CD2-CZ3 4.35Å; L913-W916 PolarHBondContact O-N 3.24Å; W916-I918 VanDerWaalsContact C-N 3.34Å; W916-I918 PolarHBondContact O-N 3.14Å; W916-L919 PolarHBondContact O-N 3.32Å; W916-S920 WeakPolarHBondContact O-CB 3.49Å; W916-S920 PolarHBondContact O-N 3.38Å; W916-S920 PolarHBondContact O-OG 2.84Å |
| 917 | E | 89.1 | Confident | 85.8 | Confident | 22 Ų | 22 | 15.4 Ų | 15.4 | 10% | 0.103 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -54.6 | -52 | 174 | -170.9 | 178.2 | -174.9 | 0 | 0 | 109.8 | T827 I830 S831 R834 L913 G914 F915 L919 S920 E921 | T827-E917 HydrophobicContact CG2-CG 3.65Å; I830-E917 HydrophobicContact CB-CB 4.47Å; I830-E917 HydrophobicContact CG2-CB 3.83Å; S831-E917 VanDerWaalsContact CB-OE1 3.32Å; S831-E917 WeakPolarHBondContact CB-OE1 3.1Å; S831-E917 PolarHBondContact OG-OE1 3.13Å; R834-E917 WeakPolarHBondContact CD-OE2 3.47Å; R834-E917 IonicContact NH1-OE2 2.84Å; L913-E917 WeakPolarHBondContact O-CB 3.39Å; L913-E917 PolarHBondContact O-N 3.21Å; G914-E917 WeakPolarHBondContact O-CB 3.44Å; G914-E917 PolarHBondContact O-N 3.06Å; F915-E917 VanDerWaalsContact C-N 3.34Å; E917-L919 PolarHBondContact O-N 2.67Å; E917-S920 PolarHBondContact O-N 3.4Å; E917-S920 VanDerWaalsContact O-N 3.16Å; E917-S920 PolarHBondContact O-OG 2.91Å; E917-E921 PolarHBondContact O-N 3.11Å |
| 918 | I | 86 | Confident | 85.4 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 177.7 | -64.7 | 165.7 | 0 | 0 | 0 | 111.5 | G914 F915 W916 S920 E921 H922 L1022 I1056 R1059 L1060 T1063 | G914-I918 WeakPolarHBondContact O-CG1 3.46Å; G914-I918 PolarHBondContact O-N 3.13Å; G914-I918 VanDerWaalsContact O-N 3.16Å; F915-I918 PolarHBondContact O-N 3.25Å; W916-I918 VanDerWaalsContact C-N 3.34Å; W916-I918 PolarHBondContact O-N 3.14Å; I918-S920 VanDerWaalsContact C-N 3.29Å; I918-S920 PolarHBondContact O-N 3.31Å; I918-E921 PolarHBondContact O-N 2.94Å; I918-H922 PolarHBondContact O-CD2 3.11Å; I918-H922 PolarHBondContact O-NE2 2.83Å; I918-L1022 HydrophobicContact CG2-CD2 4.13Å; I918-I1056 HydrophobicContact CG2-CD1 3.68Å; I918-R1059 HydrophobicContact CD1-CG 4.14Å; I918-L1060 HydrophobicContact CD1-CD2 3.86Å; I918-L1060 HydrophobicContact CD1-CG 4.44Å; I918-L1060 HydrophobicContact CG2-CD2 4.49Å; I918-T1063 HydrophobicContact CD1-CG2 4.14Å |
| 919 | L | 86 | Confident | 85.2 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 177.3 | -94.6 | 165.7 | 0 | 0 | 0 | 112.8 | F759 F915 W916 E917 E921 H922 V924 I927 L1018 L1022 | F759-L919 HydrophobicContact CZ-CD1 4.16Å; F915-L919 HydrophobicContact CD1-CD1 3.99Å; F915-L919 HydrophobicContact CE1-CD1 3.3Å; F915-L919 HydrophobicContact CE1-CG 4.41Å; F915-L919 HydrophobicContact CE2-CD1 3.94Å; F915-L919 HydrophobicContact CE2-CG 4.24Å; F915-L919 HydrophobicContact CZ-CD1 3.29Å; F915-L919 HydrophobicContact CZ-CG 4.03Å; F915-L919 PolarHBondContact O-N 3.37Å; W916-L919 PolarHBondContact O-N 3.32Å; E917-L919 PolarHBondContact O-N 2.67Å; L919-E921 VanDerWaalsContact C-N 3.29Å; L919-E921 PolarHBondContact O-N 3.22Å; L919-H922 PolarHBondContact O-N 2.99Å; L919-V924 WeakPolarHBondContact O-CG2 3.45Å; L919-I927 HydrophobicContact CD2-CD1 3.8Å; L919-I927 HydrophobicContact CD2-CG2 4.1Å; L919-L1018 HydrophobicContact CD1-CD2 4.35Å; L919-L1022 HydrophobicContact CD2-CD1 4.34Å |
| 920 | S | 82.3 | Confident | 84.7 | Confident | 16 Ų | 16 | 23.3 Ų | 23.3 | 11% | 0.112 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.6 | -18.6 | -176.7 | 72.5 | 0 | 0 | 0 | 0 | 114 | T827 W916 E917 I918 H922 | T827-S920 WeakPolarHBondContact CA-OG 3.42Å; T827-S920 PolarHBondContact OG1-O 2.74Å; T827-S920 PolarHBondContact OG1-OG 3.43Å; W916-S920 WeakPolarHBondContact O-CB 3.49Å; W916-S920 PolarHBondContact O-N 3.38Å; W916-S920 PolarHBondContact O-OG 2.84Å; E917-S920 PolarHBondContact O-N 3.4Å; E917-S920 VanDerWaalsContact O-N 3.16Å; E917-S920 PolarHBondContact O-OG 2.91Å; I918-S920 VanDerWaalsContact C-N 3.29Å; I918-S920 PolarHBondContact O-N 3.31Å; S920-H922 PolarHBondContact O-N 2.97Å |
| 921 | E | 81 | Confident | 84.3 | Confident | 76 Ų | 76 | 23.5 Ų | 23.5 | 36% | 0.355 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -17 | 173.2 | -71.6 | 178.1 | -172.9 | 0 | 0 | 112.6 | T827 E917 I918 L919 R1059 | T827-E921 HydrophobicContact CG2-CG 3.5Å; T827-E921 VanDerWaalsContact CG2-CG 3.5Å; E917-E921 PolarHBondContact O-N 3.11Å; I918-E921 PolarHBondContact O-N 2.94Å; L919-E921 VanDerWaalsContact C-N 3.29Å; L919-E921 PolarHBondContact O-N 3.22Å; E921-R1059 VanDerWaalsContact CD-NH2 3.31Å; E921-R1059 IonicContact OE1-CZ 3.92Å; E921-R1059 IonicContact OE1-NH1 3.46Å; E921-R1059 IonicContact OE1-NH2 3.12Å; E921-R1059 PolarHBondContact OE1-NH2 3.22Å; E921-R1059 IonicContact OE2-CZ 3.98Å; E921-R1059 VanDerWaalsContact OE2-CZ 3.29Å; E921-R1059 IonicContact OE2-NH1 3.85Å; E921-R1059 PolarHBondContact OE2-NH1 2.95Å; E921-R1059 IonicContact OE2-NH2 3.18Å; E921-R1059 PolarHBondContact OE2-NH2 2.87Å |
| 922 | H | 78.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 26 Ų | 26 | 15% | 0.148 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -110.3 | 170.1 | -176.5 | -56.3 | -51.7 | 0 | 0 | 0 | 112.7 | I918 L919 S920 V924 I927 Y1026 | I918-H922 PolarHBondContact O-CD2 3.11Å; I918-H922 PolarHBondContact O-NE2 2.83Å; L919-H922 PolarHBondContact O-N 2.99Å; S920-H922 PolarHBondContact O-N 2.97Å; H922-V924 VanDerWaalsContact C-N 3.3Å; H922-V924 PolarHBondContact O-N 3.18Å; H922-I927 HydrophobicContact CB-CD1 3.82Å; H922-Y1026 AromaticContact CD2-CE2 3.98Å; H922-Y1026 AromaticContact CE1-CE2 3.8Å; H922-Y1026 AromaticContact CE1-CZ 3.65Å; H922-Y1026 PolarHBondContact CE1-OH 2.73Å; H922-Y1026 AromaticContact NE2-CE2 3.56Å; H922-Y1026 AromaticContact NE2-CZ 3.74Å; H922-Y1026 PolarHBondContact NE2-OH 2.87Å |
| 923 | V | 76.7 | Confident | 83.3 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | trans | -72.4 | 86.9 | 173.5 | -173 | 0 | 0 | 0 | 0 | 109.4 | Y799 T800 T803 H925 K926 I927 | Y799-V923 HydrophobicContact CE1-CG2 3.9Å; T800-V923 HydrophobicContact CG2-CG1 4.45Å; T803-V923 HydrophobicContact CG2-CG2 4.17Å; V923-H925 HydrophobicContact CG1-CB 4.3Å; V923-H925 PolarHBondContact O-N 3.19Å; V923-K926 HydrophobicContact CB-CB 4.45Å; V923-K926 HydrophobicContact CB-CD 4.3Å; V923-K926 HydrophobicContact CB-CG 4.29Å; V923-K926 HydrophobicContact CG1-CB 4.41Å; V923-K926 HydrophobicContact CG1-CD 4.41Å; V923-K926 HydrophobicContact CG1-CG 4Å; V923-K926 PolarHBondContact O-N 2.67Å; V923-I927 PolarHBondContact O-N 3.09Å | ||
| 924 | V | 81.6 | Confident | 82.8 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -48.7 | -38.5 | -177.1 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | F759 L919 H922 K926 I927 M928 | F759-V924 HydrophobicContact CD1-CG1 3.82Å; F759-V924 HydrophobicContact CE1-CG1 3.83Å; L919-V924 WeakPolarHBondContact O-CG2 3.45Å; H922-V924 VanDerWaalsContact C-N 3.3Å; H922-V924 PolarHBondContact O-N 3.18Å; V924-K926 PolarHBondContact O-N 3.41Å; V924-I927 PolarHBondContact O-N 2.95Å; V924-M928 HydrophobicContact CG1-CG 3.85Å; V924-M928 WeakPolarHBondContact O-CB 3.38Å; V924-M928 VanDerWaalsContact O-CG 3.27Å; V924-M928 WeakPolarHBondContact O-CG 3.42Å; V924-M928 PolarHBondContact O-N 3.01Å |
| 925 | H | 82.3 | Confident | 82.6 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.7 | -47.5 | 176.6 | -177.3 | -59.9 | 0 | 0 | 0 | 113.1 | T800 I820 I821 V923 I927 M928 K929 | T800-H925 HydrophobicContact CG2-CB 3.77Å; I820-H925 VanDerWaalsContact CA-CD2 3.49Å; I820-H925 WeakPolarHBondContact CA-CD2 3.24Å; I821-H925 PolarHBondContact O-N 3.45Å; V923-H925 HydrophobicContact CG1-CB 4.3Å; V923-H925 PolarHBondContact O-N 3.19Å; H925-I927 VanDerWaalsContact C-N 3.27Å; H925-I927 PolarHBondContact O-N 2.7Å; H925-M928 PolarHBondContact O-N 3.35Å; H925-K929 WeakPolarHBondContact O-CB 3.18Å; H925-K929 PolarHBondContact O-N 3.28Å |
| 926 | K | 78.3 | Confident | 82.2 | Confident | 79 Ų | 79 | 37.9 Ų | 37.9 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65 | -35.4 | -178.7 | -75.6 | -173.8 | 177.1 | -168.5 | 0 | 111 | V923 V924 R930 Y1025 E1029 | V923-K926 HydrophobicContact CB-CB 4.45Å; V923-K926 HydrophobicContact CB-CD 4.3Å; V923-K926 HydrophobicContact CB-CG 4.29Å; V923-K926 HydrophobicContact CG1-CB 4.41Å; V923-K926 HydrophobicContact CG1-CD 4.41Å; V923-K926 HydrophobicContact CG1-CG 4Å; V923-K926 PolarHBondContact O-N 2.67Å; V924-K926 PolarHBondContact O-N 3.41Å; K926-R930 PolarHBondContact O-NH1 3.34Å; K926-Y1025 HydrophobicContact CB-CD2 3.83Å; K926-Y1025 HydrophobicContact CB-CE2 3.48Å; K926-Y1025 VanDerWaalsContact CB-CE2 3.48Å; K926-Y1025 HydrophobicContact CD-CE2 3.67Å; K926-Y1025 HydrophobicContact CG-CE2 4.24Å; K926-E1029 IonicContact NZ-OE1 3.77Å; K926-E1029 PolarHBondContact NZ-OE1 2.87Å |
| 927 | I | 83 | Confident | 81.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.8 | -49.8 | 175.5 | -59.6 | 169.4 | 0 | 0 | 0 | 109.8 | L919 H922 V923 V924 H925 K929 R930 A1021 L1022 Y1025 | L919-I927 HydrophobicContact CD2-CD1 3.8Å; L919-I927 HydrophobicContact CD2-CG2 4.1Å; H922-I927 HydrophobicContact CB-CD1 3.82Å; V923-I927 PolarHBondContact O-N 3.09Å; V924-I927 PolarHBondContact O-N 2.95Å; H925-I927 VanDerWaalsContact C-N 3.27Å; H925-I927 PolarHBondContact O-N 2.7Å; I927-K929 PolarHBondContact O-N 3.19Å; I927-R930 WeakPolarHBondContact O-CB 3.43Å; I927-R930 PolarHBondContact O-N 2.83Å; I927-A1021 HydrophobicContact CG2-CB 4.04Å; I927-L1022 HydrophobicContact CD1-CD1 3.57Å; I927-L1022 HydrophobicContact CG1-CD1 4.46Å; I927-L1022 HydrophobicContact CG2-CB 4.45Å; I927-Y1025 HydrophobicContact CG1-CD2 3.54Å; I927-Y1025 HydrophobicContact CG1-CE2 4.26Å; I927-Y1025 HydrophobicContact CG1-CG 3.76Å |
| 928 | M | 83.2 | Confident | 81.4 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -32 | -179.1 | -70.4 | -64.5 | -88 | 0 | 0 | 112.8 | F759 I821 V924 H925 R930 L931 R936 A939 L1018 | F759-M928 HydrophobicContact CD2-CE 4.44Å; I821-M928 HydrophobicContact CB-CB 4.44Å; I821-M928 HydrophobicContact CB-CG 4.35Å; I821-M928 HydrophobicContact CD1-CB 4.29Å; I821-M928 HydrophobicContact CD1-CE 3.85Å; I821-M928 HydrophobicContact CG2-CE 3.94Å; I821-M928 HydrophobicContact CG2-CG 4.11Å; V924-M928 HydrophobicContact CG1-CG 3.85Å; V924-M928 WeakPolarHBondContact O-CB 3.38Å; V924-M928 VanDerWaalsContact O-CG 3.27Å; V924-M928 WeakPolarHBondContact O-CG 3.42Å; V924-M928 PolarHBondContact O-N 3.01Å; H925-M928 PolarHBondContact O-N 3.35Å; M928-R930 PolarHBondContact O-N 3.17Å; M928-L931 PolarHBondContact O-N 2.71Å; M928-L931 VanDerWaalsContact O-N 3.08Å; M928-L931 HydrophobicContact SD-CD1 4.14Å; M928-R936 HydrophobicContact CE-CG 4.42Å; M928-R936 VanDerWaalsContact O-CD 3.23Å; M928-R936 WeakPolarHBondContact O-CD 3.41Å; M928-R936 WeakPolarHBondContact O-CG 3.05Å; M928-A939 HydrophobicContact CE-CB 3.62Å; M928-L1018 HydrophobicContact SD-CD2 3.7Å |
| 929 | K | 82.8 | Confident | 81.3 | Confident | 127 Ų | 127 | 44.2 Ų | 44.2 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.8 | 177.2 | -165 | 168 | 175.8 | 167.2 | 0 | 113.2 | E818 H925 I927 | E818-K929 WeakPolarHBondContact OE1-CD 3.48Å; E818-K929 WeakPolarHBondContact OE1-CE 3.23Å; E818-K929 IonicContact OE1-NZ 3.2Å; E818-K929 PolarHBondContact OE1-NZ 3.47Å; E818-K929 IonicContact OE2-NZ 3.63Å; H925-K929 WeakPolarHBondContact O-CB 3.18Å; H925-K929 PolarHBondContact O-N 3.28Å; I927-K929 PolarHBondContact O-N 3.19Å |
| 930 | R | 80.1 | Confident | 81.2 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 30% | 0.302 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.4 | 175.3 | -62.4 | -170.6 | 174.1 | 93.2 | -7.5 | 113.5 | K926 I927 M928 A1021 Y1025 | K926-R930 PolarHBondContact O-NH1 3.34Å; I927-R930 WeakPolarHBondContact O-CB 3.43Å; I927-R930 PolarHBondContact O-N 2.83Å; M928-R930 PolarHBondContact O-N 3.17Å; R930-A1021 HydrophobicContact CB-CB 4.29Å; R930-Y1025 VanDerWaalsContact CZ-CA 3.4Å |
| 931 | L | 81.3 | Confident | 81.2 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -78.3 | 146.5 | 174.4 | -80.7 | 96.3 | 0 | 0 | 0 | 112 | M928 H935 R936 A1017 L1018 A1021 | M928-L931 PolarHBondContact O-N 2.71Å; M928-L931 VanDerWaalsContact O-N 3.08Å; M928-L931 HydrophobicContact SD-CD1 4.14Å; L931-H935 HydrophobicContact CB-CB 4.32Å; L931-H935 HydrophobicContact CD2-CB 3.64Å; L931-R936 HydrophobicContact CB-CG 3.98Å; L931-R936 PolarHBondContact O-NE 3.34Å; L931-A1017 HydrophobicContact CD2-CB 4.06Å; L931-L1018 HydrophobicContact CD1-CD2 4.09Å; L931-L1018 HydrophobicContact CD1-CG 4.49Å; L931-L1018 HydrophobicContact CD2-CG 4.29Å; L931-A1021 HydrophobicContact CD1-CB 3.45Å; L931-A1021 VanDerWaalsContact CD1-CB 3.45Å; L931-A1021 HydrophobicContact CG-CB 4.16Å |
| 932 | S | 82 | Confident | 81.3 | Confident | 65 Ų | 65 | 49.5 Ų | 49.5 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | trans | -60.1 | 153.8 | 171.2 | 80.1 | 0 | 0 | 0 | 0 | 111.1 | G934 H935 R936 | S932-G934 VanDerWaalsContact C-N 3.27Å; S932-G934 PolarHBondContact O-N 2.99Å; S932-H935 PolarHBondContact O-N 2.91Å; S932-H935 VanDerWaalsContact O-N 3.07Å; S932-H935 PolarHBondContact OG-ND1 3.02Å; S932-R936 PolarHBondContact O-N 3.35Å | ||
| 933 | S | 77.6 | Confident | 81.6 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 57% | 0.573 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -55.1 | -41.3 | -176.8 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | H935 R936 D937 | S933-H935 PolarHBondContact O-N 3.18Å; S933-R936 PolarHBondContact O-N 3.16Å; S933-D937 PolarHBondContact O-N 3.28Å |
| 934 | G | 78.7 | Confident | 82 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S932 L938 | S932-G934 VanDerWaalsContact C-N 3.27Å; S932-G934 PolarHBondContact O-N 2.99Å; G934-L938 WeakPolarHBondContact O-CG 3.39Å; G934-L938 PolarHBondContact O-N 3.44Å |
| 935 | H | 83.2 | Confident | 82.2 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.7 | -33 | 177.9 | -64 | 114.5 | 0 | 0 | 0 | 112.6 | L931 S932 S933 L938 A939 | L931-H935 HydrophobicContact CB-CB 4.32Å; L931-H935 HydrophobicContact CD2-CB 3.64Å; S932-H935 PolarHBondContact O-N 2.91Å; S932-H935 VanDerWaalsContact O-N 3.07Å; S932-H935 PolarHBondContact OG-ND1 3.02Å; S933-H935 PolarHBondContact O-N 3.18Å; H935-L938 PolarHBondContact O-N 3.4Å; H935-A939 VanDerWaalsContact O-CB 3.3Å; H935-A939 WeakPolarHBondContact O-CB 3.41Å; H935-A939 PolarHBondContact O-N 3.32Å |
| 936 | R | 82.5 | Confident | 82 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 173.8 | -87.8 | -171.7 | -75.1 | 138.1 | 0.1 | 112.2 | I821 M928 L931 S932 S933 L938 A939 L940 | I821-R936 HydrophobicContact CD1-CG 4.41Å; M928-R936 HydrophobicContact CE-CG 4.42Å; M928-R936 VanDerWaalsContact O-CD 3.23Å; M928-R936 WeakPolarHBondContact O-CD 3.41Å; M928-R936 WeakPolarHBondContact O-CG 3.05Å; L931-R936 HydrophobicContact CB-CG 3.98Å; L931-R936 PolarHBondContact O-NE 3.34Å; S932-R936 PolarHBondContact O-N 3.35Å; S933-R936 PolarHBondContact O-N 3.16Å; R936-L938 VanDerWaalsContact C-N 3.31Å; R936-L938 PolarHBondContact O-N 3.43Å; R936-A939 PolarHBondContact O-N 3.24Å; R936-L940 PolarHBondContact O-N 2.89Å; R936-L940 VanDerWaalsContact O-N 3.07Å |
| 937 | D | 80.7 | Confident | 82.1 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 178 | -76.8 | -13.6 | 0 | 0 | 0 | 112.3 | S933 | S933-D937 PolarHBondContact O-N 3.28Å |
| 938 | L | 82.1 | Confident | 81.9 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 174.4 | -73 | 171.6 | 0 | 0 | 0 | 111.9 | G934 H935 R936 L940 K941 L942 V1014 | G934-L938 WeakPolarHBondContact O-CG 3.39Å; G934-L938 PolarHBondContact O-N 3.44Å; H935-L938 PolarHBondContact O-N 3.4Å; R936-L938 VanDerWaalsContact C-N 3.31Å; R936-L938 PolarHBondContact O-N 3.43Å; L938-L940 VanDerWaalsContact C-N 3.33Å; L938-L940 PolarHBondContact O-N 3.49Å; L938-K941 CarbonylContact O-C 3.32Å; L938-K941 WeakPolarHBondContact O-CA 3.39Å; L938-K941 PolarHBondContact O-N 3.14Å; L938-L942 PolarHBondContact O-N 3.34Å; L938-V1014 HydrophobicContact CB-CG2 3.73Å; L938-V1014 HydrophobicContact CD1-CG2 4.07Å |
| 939 | A | 83.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F759 M928 H935 R936 K941 L942 V1014 | F759-A939 HydrophobicContact CD2-CB 4.44Å; M928-A939 HydrophobicContact CE-CB 3.62Å; H935-A939 VanDerWaalsContact O-CB 3.3Å; H935-A939 WeakPolarHBondContact O-CB 3.41Å; H935-A939 PolarHBondContact O-N 3.32Å; R936-A939 PolarHBondContact O-N 3.24Å; A939-K941 PolarHBondContact O-N 3.39Å; A939-L942 PolarHBondContact O-N 3.37Å; A939-V1014 HydrophobicContact CB-CG1 3.94Å |
| 940 | L | 83.1 | Confident | 80.8 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -19.9 | 173.1 | -74.4 | 170.6 | 0 | 0 | 0 | 113.3 | S757 F759 D761 I821 R936 L938 | S757-L940 VanDerWaalsContact CB-O 3.26Å; S757-L940 WeakPolarHBondContact CB-O 3.36Å; S757-L940 PolarHBondContact OG-O 2.94Å; F759-L940 HydrophobicContact CB-CD2 4.25Å; D761-L940 HydrophobicContact CB-CD2 4.39Å; I821-L940 HydrophobicContact CD1-CD1 4.18Å; I821-L940 HydrophobicContact CD1-CD2 4.32Å; I821-L940 HydrophobicContact CD1-CG 4.28Å; I821-L940 HydrophobicContact CG1-CD2 4.33Å; I821-L940 HydrophobicContact CG2-CD2 4.02Å; R936-L940 PolarHBondContact O-N 2.89Å; R936-L940 VanDerWaalsContact O-N 3.07Å; L938-L940 VanDerWaalsContact C-N 3.33Å; L938-L940 PolarHBondContact O-N 3.49Å |
| 941 | K | 82.3 | Confident | 80.2 | Confident | 160 Ų | 160 | 43.5 Ų | 43.5 | 70% | 0.696 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -7 | 177.4 | -65.4 | 173.4 | -175.6 | 170.1 | 0 | 113.4 | L938 A939 T943 | L938-K941 CarbonylContact O-C 3.32Å; L938-K941 WeakPolarHBondContact O-CA 3.39Å; L938-K941 PolarHBondContact O-N 3.14Å; A939-K941 PolarHBondContact O-N 3.39Å; K941-T943 PolarHBondContact O-N 3.49Å |
| 942 | L | 83 | Confident | 79.4 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | trans | -71.8 | 117.2 | -174.1 | -175.1 | 70.1 | 0 | 0 | 0 | 110.2 | S757 M758 L938 A939 V1014 I1015 | S757-L942 WeakPolarHBondContact CA-O 3.49Å; M758-L942 PolarHBondContact N-O 3.15Å; L938-L942 PolarHBondContact O-N 3.34Å; A939-L942 PolarHBondContact O-N 3.37Å; L942-V1014 HydrophobicContact CD2-CG1 4.08Å; L942-I1015 HydrophobicContact CD2-CD1 4.21Å; L942-I1015 HydrophobicContact CD2-CG1 3.78Å | ||
| 943 | T | 86.1 | Confident | 77.9 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 17% | 0.172 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -104.7 | 154.7 | 171.9 | 66.5 | 0 | 0 | 0 | 0 | 110.1 | R755 K941 E945 A946 Y947 | R755-T943 WeakPolarHBondContact O-CG2 3.32Å; K941-T943 PolarHBondContact O-N 3.49Å; T943-E945 PolarHBondContact O-N 3.25Å; T943-A946 PolarHBondContact O-N 3.36Å; T943-A946 VanDerWaalsContact O-N 3.15Å; T943-A946 WeakPolarHBondContact OG1-CB 3.24Å; T943-A946 PolarHBondContact OG1-N 2.99Å; T943-A946 VanDerWaalsContact OG1-N 3.14Å; T943-Y947 PolarHBondContact O-N 3.42Å; T943-Y947 VanDerWaalsContact O-N 3.14Å |
| 944 | I | 85.5 | Confident | 76.2 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 176.6 | -69.5 | 171.3 | 0 | 0 | 0 | 110.6 | F753 W754 M758 I912 L913 Y947 I948 | F753-I944 HydrophobicContact CB-CD1 4.12Å; F753-I944 HydrophobicContact CD2-CB 4.39Å; F753-I944 HydrophobicContact CD2-CD1 3.42Å; F753-I944 VanDerWaalsContact CD2-CD1 3.42Å; F753-I944 HydrophobicContact CD2-CG1 4.46Å; F753-I944 HydrophobicContact CD2-CG2 4.39Å; F753-I944 HydrophobicContact CE2-CD1 4.2Å; F753-I944 HydrophobicContact CE2-CG2 4.39Å; F753-I944 HydrophobicContact CG-CD1 4.11Å; W754-I944 HydrophobicContact CE3-CG2 3.88Å; W754-I944 HydrophobicContact CZ3-CG2 3.89Å; M758-I944 HydrophobicContact CG-CG1 4.46Å; M758-I944 HydrophobicContact SD-CG1 4.37Å; I912-I944 HydrophobicContact CG2-CD1 3.75Å; I912-I944 HydrophobicContact CG2-CG1 3.78Å; I912-I944 HydrophobicContact CG2-CG2 4.08Å; L913-I944 HydrophobicContact CD2-CD1 4.17Å; I944-Y947 PolarHBondContact O-N 2.92Å; I944-I948 HydrophobicContact CG2-CD1 3.63Å; I944-I948 HydrophobicContact CG2-CG1 4.38Å; I944-I948 WeakPolarHBondContact O-CB 3.49Å; I944-I948 WeakPolarHBondContact O-CG1 3.46Å; I944-I948 PolarHBondContact O-N 2.86Å |
| 945 | E | 84.9 | Confident | 73.9 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 172.1 | -178.9 | 175.2 | -167 | 0 | 0 | 112.2 | N20 W754 R755 T943 Y947 I948 S949 | N20-E945 PolarHBondContact ND2-OE1 2.89Å; N20-E945 PolarHBondContact OD1-OE1 2.83Å; W754-E945 HydrophobicContact CD2-CB 4.22Å; W754-E945 HydrophobicContact CG-CB 4.39Å; W754-E945 HydrophobicContact CZ2-CB 4.13Å; W754-E945 HydrophobicContact CZ2-CG 4.15Å; W754-E945 WeakPolarHBondContact O-CB 3.47Å; W754-E945 PolarHBondContact O-N 2.9Å; R755-E945 VanDerWaalsContact CG-OE2 3.31Å; R755-E945 WeakPolarHBondContact CG-OE2 3.48Å; R755-E945 IonicContact CZ-OE2 2.91Å; R755-E945 IonicContact NE-OE2 3.58Å; R755-E945 PolarHBondContact NE-OE2 3.17Å; R755-E945 IonicContact NH2-OE1 2.62Å; R755-E945 IonicContact NH2-OE2 3.91Å; T943-E945 PolarHBondContact O-N 3.25Å; E945-Y947 PolarHBondContact O-N 3.43Å; E945-I948 PolarHBondContact O-N 3.28Å; E945-S949 VanDerWaalsContact O-CB 3.25Å; E945-S949 WeakPolarHBondContact O-CB 3.3Å; E945-S949 PolarHBondContact O-N 2.9Å; E945-S949 PolarHBondContact O-OG 3.37Å |
| 946 | A | 78.3 | Confident | 71.2 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | T943 S950 | T943-A946 PolarHBondContact O-N 3.36Å; T943-A946 VanDerWaalsContact O-N 3.15Å; T943-A946 WeakPolarHBondContact OG1-CB 3.24Å; T943-A946 PolarHBondContact OG1-N 2.99Å; T943-A946 VanDerWaalsContact OG1-N 3.14Å; A946-S950 WeakPolarHBondContact O-CB 3.39Å; A946-S950 PolarHBondContact O-N 3.03Å; A946-S950 VanDerWaalsContact O-N 3.07Å |
| 947 | Y | 80.7 | Confident | 68.4 | Low | 9 Ų | 9 | 58.7 Ų | 58.7 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 176.9 | 175.1 | -93 | 0 | 0 | 0 | 112.6 | I912 T943 I944 E945 S949 S950 L951 T1012 I1015 L1067 | I912-Y947 HydrophobicContact CD1-CD1 2.94Å; I912-Y947 HydrophobicContact CD1-CD2 4.34Å; I912-Y947 HydrophobicContact CD1-CE1 3.19Å; I912-Y947 HydrophobicContact CD1-CG 3.55Å; I912-Y947 HydrophobicContact CG1-CD1 4.21Å; I912-Y947 HydrophobicContact CG1-CE1 4.04Å; T943-Y947 PolarHBondContact O-N 3.42Å; T943-Y947 VanDerWaalsContact O-N 3.14Å; I944-Y947 PolarHBondContact O-N 2.92Å; E945-Y947 PolarHBondContact O-N 3.43Å; Y947-S949 VanDerWaalsContact C-N 3.31Å; Y947-S949 PolarHBondContact O-N 3.35Å; Y947-S950 VanDerWaalsContact O-CB 3.3Å; Y947-S950 WeakPolarHBondContact O-CB 3.22Å; Y947-S950 PolarHBondContact O-N 2.67Å; Y947-S950 VanDerWaalsContact O-N 3.15Å; Y947-L951 HydrophobicContact CD1-CD1 3.8Å; Y947-L951 HydrophobicContact CE1-CD1 3.1Å; Y947-L951 HydrophobicContact CE1-CG 4.2Å; Y947-L951 HydrophobicContact CE2-CD1 4.3Å; Y947-L951 PolarHBondContact O-N 3.5Å; Y947-L951 VanDerWaalsContact O-N 3.08Å; Y947-L951 WeakPolarHBondContact OH-CD1 3.47Å; Y947-T1012 HydrophobicContact CE2-CG2 3.92Å; Y947-I1015 HydrophobicContact CD1-CD1 4.33Å; Y947-I1015 HydrophobicContact CD2-CB 4.48Å; Y947-I1015 HydrophobicContact CD2-CD1 3.32Å; Y947-I1015 HydrophobicContact CD2-CG1 3.79Å; Y947-I1015 HydrophobicContact CE1-CD1 4.33Å; Y947-I1015 HydrophobicContact CE2-CB 4.09Å; Y947-I1015 HydrophobicContact CE2-CD1 3.43Å; Y947-I1015 VanDerWaalsContact CE2-CD1 3.43Å; Y947-I1015 HydrophobicContact CE2-CG1 3.88Å; Y947-I1015 HydrophobicContact CG-CD1 3.79Å; Y947-L1067 HydrophobicContact CE2-CD2 4.4Å; Y947-L1067 WeakPolarHBondContact OH-CD2 3.28Å; Y947-L1067 WeakPolarHBondContact OH-CG 3.43Å |
| 948 | I | 79.6 | Confident | 65.7 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67 | -37 | -178 | -70.6 | 172.1 | 0 | 0 | 0 | 110.9 | W754 L905 M908 I909 I944 E945 S950 L951 L952 | W754-I948 HydrophobicContact CH2-CB 4.27Å; W754-I948 HydrophobicContact CH2-CD1 3.76Å; W754-I948 HydrophobicContact CH2-CG2 4.25Å; W754-I948 HydrophobicContact CZ3-CD1 3.51Å; L905-I948 HydrophobicContact CD1-CD1 4.27Å; L905-I948 HydrophobicContact CD1-CG2 3.58Å; M908-I948 HydrophobicContact CB-CD1 4.49Å; I909-I948 HydrophobicContact CD1-CD1 4.48Å; I909-I948 HydrophobicContact CG1-CD1 3.52Å; I944-I948 HydrophobicContact CG2-CD1 3.63Å; I944-I948 HydrophobicContact CG2-CG1 4.38Å; I944-I948 WeakPolarHBondContact O-CB 3.49Å; I944-I948 WeakPolarHBondContact O-CG1 3.46Å; I944-I948 PolarHBondContact O-N 2.86Å; E945-I948 PolarHBondContact O-N 3.28Å; I948-S950 VanDerWaalsContact C-N 3.28Å; I948-S950 PolarHBondContact O-N 2.91Å; I948-L951 PolarHBondContact O-N 3.46Å; I948-L952 HydrophobicContact CG2-CD1 3.71Å; I948-L952 HydrophobicContact CG2-CG 4.32Å; I948-L952 WeakPolarHBondContact O-CG 3.47Å; I948-L952 PolarHBondContact O-N 2.81Å |
| 949 | S | 73.8 | Confident | 62.8 | Low | 43 Ų | 43 | 59.6 Ų | 59.6 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | E945 Y947 N953 | E945-S949 VanDerWaalsContact O-CB 3.25Å; E945-S949 WeakPolarHBondContact O-CB 3.3Å; E945-S949 PolarHBondContact O-N 2.9Å; E945-S949 PolarHBondContact O-OG 3.37Å; Y947-S949 VanDerWaalsContact C-N 3.31Å; Y947-S949 PolarHBondContact O-N 3.35Å; S949-N953 WeakPolarHBondContact O-CB 3.44Å; S949-N953 PolarHBondContact O-N 3.07Å; S949-N953 PolarHBondContact O-ND2 3.23Å |
| 950 | S | 68.2 | Low | 59.9 | Low | 8 Ų | 8 | 66.6 Ų | 66.6 | 6% | 0.056 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 173 | 163.1 | 0 | 0 | 0 | 0 | 111.6 | A946 Y947 I948 N953 N1008 | A946-S950 WeakPolarHBondContact O-CB 3.39Å; A946-S950 PolarHBondContact O-N 3.03Å; A946-S950 VanDerWaalsContact O-N 3.07Å; Y947-S950 VanDerWaalsContact O-CB 3.3Å; Y947-S950 WeakPolarHBondContact O-CB 3.22Å; Y947-S950 PolarHBondContact O-N 2.67Å; Y947-S950 VanDerWaalsContact O-N 3.15Å; I948-S950 VanDerWaalsContact C-N 3.28Å; I948-S950 PolarHBondContact O-N 2.91Å; S950-N953 PolarHBondContact O-N 3.24Å; S950-N1008 VanDerWaalsContact CB-O 3.26Å; S950-N1008 WeakPolarHBondContact CB-O 3.3Å; S950-N1008 PolarHBondContact OG-O 3.28Å |
| 951 | L | 67.9 | Low | 57 | Low | 46 Ų | 46 | 70.6 Ų | 70.6 | 24% | 0.241 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177 | -89.3 | 163.4 | 0 | 0 | 0 | 113.8 | M908 Y947 I948 N953 I954 T1012 | M908-L951 HydrophobicContact CE-CD1 3.71Å; M908-L951 HydrophobicContact SD-CD1 3.86Å; Y947-L951 HydrophobicContact CD1-CD1 3.8Å; Y947-L951 HydrophobicContact CE1-CD1 3.1Å; Y947-L951 HydrophobicContact CE1-CG 4.2Å; Y947-L951 HydrophobicContact CE2-CD1 4.3Å; Y947-L951 PolarHBondContact O-N 3.5Å; Y947-L951 VanDerWaalsContact O-N 3.08Å; Y947-L951 WeakPolarHBondContact OH-CD1 3.47Å; I948-L951 PolarHBondContact O-N 3.46Å; L951-N953 VanDerWaalsContact C-N 3.3Å; L951-N953 PolarHBondContact O-N 3.48Å; L951-I954 HydrophobicContact CD2-CD1 4.3Å; L951-I954 PolarHBondContact O-N 3.17Å; L951-T1012 HydrophobicContact CD2-CG2 4.36Å; L951-T1012 HydrophobicContact CG-CG2 4.16Å |
| 952 | L | 64.4 | Low | 54.2 | Low | 109 Ų | 109 | 67.8 Ų | 67.8 | 57% | 0.571 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.8 | -24.2 | -178.8 | -72.7 | 167.5 | 0 | 0 | 0 | 112.8 | I948 | I948-L952 HydrophobicContact CG2-CD1 3.71Å; I948-L952 HydrophobicContact CG2-CG 4.32Å; I948-L952 WeakPolarHBondContact O-CG 3.47Å; I948-L952 PolarHBondContact O-N 2.81Å |
| 953 | N | 49.3 | Very low | 51.2 | Low | 102 Ų | 102 | 75.5 Ų | 75.5 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.3 | 179.3 | -82.5 | -34.2 | 0 | 0 | 0 | 114.3 | S949 S950 L951 P955 | S949-N953 WeakPolarHBondContact O-CB 3.44Å; S949-N953 PolarHBondContact O-N 3.07Å; S949-N953 PolarHBondContact O-ND2 3.23Å; S950-N953 PolarHBondContact O-N 3.24Å; L951-N953 VanDerWaalsContact C-N 3.3Å; L951-N953 PolarHBondContact O-N 3.48Å; N953-P955 VanDerWaalsContact O-CD 3.29Å; N953-P955 WeakPolarHBondContact O-CD 3.39Å |
| 954 | I | 43.5 | Very low | 48.1 | Very low | 81 Ų | 81 | 80.2 Ų | 80.2 | 42% | 0.415 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -68.1 | 114.6 | 170.6 | -56.6 | 172.2 | 0 | 0 | 0 | 106.4 | L951 C956 | L951-I954 HydrophobicContact CD2-CD1 4.3Å; L951-I954 PolarHBondContact O-N 3.17Å; I954-C956 PolarHBondContact O-N 3.26Å |
| 955 | P | 30.4 | Very low | 45 | Very low | 104 Ų | 104 | 88.8 Ų | 88.8 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | trans | -65.2 | 104.1 | -175.7 | 25.8 | -30.1 | 0 | 0 | 0 | 107.8 | N953 I957 | N953-P955 VanDerWaalsContact O-CD 3.29Å; N953-P955 WeakPolarHBondContact O-CD 3.39Å; P955-I957 VanDerWaalsContact C-N 3.28Å; P955-I957 PolarHBondContact O-N 3.18Å | ||
| 956 | C | 25.5 | Very low | 42.1 | Very low | 102 Ų | 102 | 93.8 Ų | 93.8 | 69% | 0.689 | 56% | 0.56 | S | S | * | * | trans | -62.9 | 99.2 | 162.8 | -64 | 0 | 0 | 0 | 0 | 105.9 | I954 G958 | I954-C956 PolarHBondContact O-N 3.26Å; C956-G958 VanDerWaalsContact C-N 3.33Å; C956-G958 PolarHBondContact O-N 3.08Å | ||
| 957 | I | 24.5 | Very low | 39.3 | Very low | 149 Ų | 149 | 96.2 Ų | 96.2 | 76% | 0.764 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -57.1 | 102.4 | 166.7 | -64.4 | 169.3 | 0 | 0 | 0 | 105.8 | P955 | P955-I957 VanDerWaalsContact C-N 3.28Å; P955-I957 PolarHBondContact O-N 3.18Å |
| 958 | G | 22.6 | Very low | 36.5 | Very low | 68 Ų | 68 | 102.6 Ų | 102.6 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | trans | 157.1 | 44.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C956 | C956-G958 VanDerWaalsContact C-N 3.33Å; C956-G958 PolarHBondContact O-N 3.08Å | ||
| 959 | S | 22.9 | Very low | 33.8 | Very low | 109 Ų | 109 | 110 Ų | 110 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | trans | -165.7 | 65.5 | 154.3 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | M961 | S959-M961 PolarHBondContact O-N 2.95Š| ||
| 960 | V | 21.9 | Very low | 31.4 | Very low | 147 Ų | 147 | 111 Ų | 111 | 89% | 0.891 | 66% | 0.662 | S | S | * | * | trans | -89.8 | 88.6 | 154.7 | 179.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 961 | M | 22.3 | Very low | 29.3 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 58% | 0.581 | 70% | 0.698 | S | S | * | * | trans | -128.7 | 124.3 | 147.5 | -83.9 | -143.8 | 99.9 | 0 | 0 | 108.9 | E874 S959 | E874-M961 HydrophobicContact CG-CE 3.5Å; S959-M961 PolarHBondContact O-N 2.95Å | ||
| 962 | S | 22.4 | Very low | 27.2 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 75.5 | 86.4 | 167.6 | 70.6 | 0 | 0 | 0 | 0 | 118 | V964 | S962-V964 PolarHBondContact O-N 2.88Š| ||
| 963 | N | 19.8 | Very low | 25.2 | Very low | 173 Ų | 173 | 126.2 Ų | 126.2 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -56.7 | 108 | 132 | -88.6 | -27.2 | 0 | 0 | 0 | 108.5 | ||||
| 964 | V | 22.8 | Very low | 24.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -120.1 | 117.5 | 149.7 | 176 | 0 | 0 | 0 | 0 | 107.2 | S962 | S962-V964 PolarHBondContact O-N 2.88Š| ||
| 965 | Q | 20.3 | Very low | 23.2 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -45.2 | 138.5 | 169.3 | -65.2 | 164.3 | -41.9 | 0 | 0 | 111.3 | ||||
| 966 | T | 22.9 | Very low | 23 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | -158.8 | 112.8 | 120.7 | 41.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 967 | S | 19.5 | Very low | 23 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 163.4 | 154.5 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 968 | L | 22.5 | Very low | 23.4 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | 104.2 | 107.5 | 157.4 | -66.4 | 138.8 | 0 | 0 | 0 | 118.8 | ||||
| 969 | I | 23.4 | Very low | 23.6 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | 85.1 | 123.9 | 128.1 | -62.2 | 168.3 | 0 | 0 | 0 | 117.9 | |||||
| 970 | G | 23.7 | Very low | 23.8 | Very low | 62 Ų | 62 | 137.5 Ų | 137.5 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | 134.8 | 72.5 | 126.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 971 | D | 22.3 | Very low | 24.1 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 35.1 | 125.9 | 135.8 | -72.2 | -40.2 | 0 | 0 | 0 | 121.5 | ||||
| 972 | S | 24.8 | Very low | 24.4 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 145.8 | 108.6 | 106.2 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 973 | R | 22.5 | Very low | 24.5 | Very low | 228 Ų | 228 | 137.2 Ų | 137.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | 49.5 | 113.3 | 103.3 | -70.4 | -174.6 | -172.6 | -178.1 | 4.5 | 115.2 | |||||
| 974 | I | 26.2 | Very low | 24.9 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 92% | 0.923 | 77% | 0.773 | S | S | * | * | -135.1 | 127.3 | 116.7 | -60.2 | -175 | 0 | 0 | 0 | 108.1 | |||||
| 975 | S | 25 | Very low | 25 | Very low | 78 Ų | 78 | 132 Ų | 132 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | trans | -120.6 | 168.3 | 177.9 | 63 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 976 | R | 26.1 | Very low | 25.1 | Very low | 228 Ų | 228 | 130.3 Ų | 130.3 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 92.2 | 143.8 | 150.8 | -72.3 | 171.2 | -174 | -164.7 | 0.6 | 116.7 | ||||
| 977 | S | 25.6 | Very low | 25.2 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | -174 | -177.4 | 63.7 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 978 | P | 31.8 | Very low | 25.3 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | cis | -128.7 | 170.3 | -45.7 | 27.3 | -6.5 | 0 | 0 | 0 | 111 | ||||
| 979 | I | 27.1 | Very low | 25.4 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | 178.3 | 138 | 80.7 | -78 | 174.6 | 0 | 0 | 0 | 109.9 | |||||
| 980 | S | 26.7 | Very low | 25.3 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 53.9 | 139.2 | 154.7 | 75.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 981 | S | 29.1 | Very low | 25.2 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | cis | -172.5 | 145.1 | 5.4 | 37.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 982 | S | 28.9 | Very low | 25.3 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 46.6 | 110.4 | 150.3 | 60.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 983 | V | 24.4 | Very low | 25.2 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 95% | 0.952 | 79% | 0.789 | S | S | * | * | 60.6 | 115.9 | 73 | -174 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 984 | G | 27.8 | Very low | 25.3 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -171.9 | 143 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 985 | S | 23.8 | Very low | 25.2 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -121 | 167.8 | -153.1 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 986 | V | 22.7 | Very low | 25.3 | Very low | 144 Ų | 144 | 122 Ų | 122 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | 81.6 | 134.4 | 156.1 | -166.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 987 | G | 25 | Very low | 25.2 | Very low | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 156.2 | 104.9 | 146 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 988 | V | 22.7 | Very low | 25.2 | Very low | 151 Ų | 151 | 116.3 Ų | 116.3 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | trans | -77.8 | 142.8 | 167.3 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 989 | A | 23.1 | Very low | 24.8 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -176.4 | 138.5 | 141.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 990 | S | 21.4 | Very low | 24.6 | Very low | 122 Ų | 122 | 115.7 Ų | 115.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -81.7 | 148.8 | 166.3 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 991 | A | 23.1 | Very low | 24.7 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | 150.4 | 144.2 | 113.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 992 | T | 23 | Very low | 24.5 | Very low | 128 Ų | 128 | 114.9 Ų | 114.9 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 81.7 | 104.1 | 148.5 | 46.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 993 | T | 22.7 | Very low | 24.3 | Very low | 127 Ų | 127 | 118 Ų | 118 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | 39.8 | 113.5 | 127 | 44.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 994 | T | 26 | Very low | 24.2 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | -151.7 | 137.9 | 126.7 | 43.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 995 | T | 24.2 | Very low | 24.1 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 148.9 | 166 | 44.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 996 | P | 26.8 | Very low | 24.5 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -148.2 | 153.1 | 89.8 | 35.8 | -16.4 | 0 | 0 | 0 | 115.9 | |||||
| 997 | T | 23.7 | Very low | 25.3 | Very low | 143 Ų | 143 | 116.8 Ų | 116.8 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 5.7 | 119.2 | 146.7 | 56.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 998 | G | 26 | Very low | 26.2 | Very low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | 160.8 | 80.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1000 | G998-S1000 PolarHBondContact O-N 2.57Å; G998-S1000 VanDerWaalsContact O-N 3.07Å | ||
| 999 | S | 23.8 | Very low | 27.5 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -70.3 | 95.2 | 172.9 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1000 | S | 22.5 | Very low | 29.4 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -110.2 | 107 | 151.9 | 61.3 | 0 | 0 | 0 | 0 | 108.2 | G998 G1002 | G998-S1000 PolarHBondContact O-N 2.57Å; G998-S1000 VanDerWaalsContact O-N 3.07Å; S1000-G1002 PolarHBondContact O-N 3.46Å | ||
| 1001 | V | 29 | Very low | 31.5 | Very low | 121 Ų | 121 | 106.4 Ų | 106.4 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -69.9 | 114.3 | 170.9 | 174.4 | 0 | 0 | 0 | 0 | 107 | F1003 | V1001-F1003 HydrophobicContact CG1-CD2 3.76Å; V1001-F1003 HydrophobicContact CG1-CE2 3.66Å | ||
| 1002 | G | 23 | Very low | 33.8 | Very low | 69 Ų | 69 | 104.3 Ų | 104.3 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | -71.3 | 128.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1000 | S1000-G1002 PolarHBondContact O-N 3.46Š| ||
| 1003 | F | 25.5 | Very low | 36.3 | Very low | 166 Ų | 166 | 103.7 Ų | 103.7 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | trans | -123.5 | 95.7 | 156.1 | -89.5 | -81.4 | 0 | 0 | 0 | 107.8 | V1001 | V1001-F1003 HydrophobicContact CG1-CD2 3.76Å; V1001-F1003 HydrophobicContact CG1-CE2 3.66Å | ||
| 1004 | N | 22.5 | Very low | 39.1 | Very low | 175 Ų | 175 | 97.8 Ų | 97.8 | 94% | 0.936 | 61% | 0.607 | S | S | * | * | trans | -100.1 | 75.1 | 162.8 | -92.5 | -13.5 | 0 | 0 | 0 | 107.8 | ||||
| 1005 | T | 25.2 | Very low | 41.8 | Very low | 98 Ų | 98 | 91.1 Ų | 91.1 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | trans | -155.4 | 133.8 | 164.3 | 44.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1006 | T | 32.2 | Very low | 44.4 | Very low | 95 Ų | 95 | 86.3 Ų | 86.3 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | trans | 104.6 | 68 | 176.6 | 78.9 | 0 | 0 | 0 | 0 | 117.3 | N1008 H1009 | T1006-N1008 VanDerWaalsContact C-N 3.28Å; T1006-H1009 VanDerWaalsContact CG2-CD2 3.46Å; T1006-H1009 WeakPolarHBondContact CG2-CD2 3.32Å | ||
| 1007 | S | 41.1 | Very low | 47 | Very low | 99 Ų | 99 | 82 Ų | 82 | 69% | 0.692 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -80.1 | -4.2 | 161.7 | 57.3 | 0 | 0 | 0 | 0 | 114 | ||
| 1008 | N | 42.5 | Very low | 49.9 | Very low | 77 Ų | 77 | 75.3 Ų | 75.3 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -106.6 | -8.8 | -168.5 | -69.3 | 1.7 | 0 | 0 | 0 | 115.2 | S950 T1006 | S950-N1008 VanDerWaalsContact CB-O 3.26Å; S950-N1008 WeakPolarHBondContact CB-O 3.3Å; S950-N1008 PolarHBondContact OG-O 3.28Å; T1006-N1008 VanDerWaalsContact C-N 3.28Å |
| 1009 | H | 49.4 | Very low | 52.6 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -97 | -2.8 | -177.8 | -60.6 | -50.3 | 0 | 0 | 0 | 114.2 | T1006 G1011 T1012 E1013 | T1006-H1009 VanDerWaalsContact CG2-CD2 3.46Å; T1006-H1009 WeakPolarHBondContact CG2-CD2 3.32Å; H1009-G1011 VanDerWaalsContact C-N 3.35Å; H1009-G1011 PolarHBondContact O-N 3.33Å; H1009-T1012 PolarHBondContact O-OG1 3.44Å; H1009-E1013 WeakPolarHBondContact O-CG 3.27Å; H1009-E1013 PolarHBondContact O-N 2.91Å |
| 1010 | T | 63.1 | Low | 55.3 | Low | 64 Ų | 64 | 69 Ų | 69 | 39% | 0.393 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.8 | -30.6 | -171.5 | 56 | 0 | 0 | 0 | 0 | 113.7 | V1014 | T1010-V1014 WeakPolarHBondContact O-CG2 3.38Å; T1010-V1014 PolarHBondContact O-N 3.44Å |
| 1011 | G | 66.1 | Low | 58.1 | Low | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.7 | -48.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1009 V1014 I1015 | H1009-G1011 VanDerWaalsContact C-N 3.35Å; H1009-G1011 PolarHBondContact O-N 3.33Å; G1011-V1014 PolarHBondContact O-N 3.31Å; G1011-I1015 PolarHBondContact O-N 2.83Å |
| 1012 | T | 72.3 | Confident | 60.8 | Low | 44 Ų | 44 | 58 Ų | 58 | 27% | 0.27 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | -178.7 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | Y947 L951 H1009 I1015 G1016 | Y947-T1012 HydrophobicContact CE2-CG2 3.92Å; L951-T1012 HydrophobicContact CD2-CG2 4.36Å; L951-T1012 HydrophobicContact CG-CG2 4.16Å; H1009-T1012 PolarHBondContact O-OG1 3.44Å; T1012-I1015 PolarHBondContact O-N 3.11Å; T1012-G1016 PolarHBondContact O-N 3.07Å |
| 1013 | E | 75 | Confident | 63.5 | Low | 115 Ų | 115 | 55.5 Ų | 55.5 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.6 | -73 | 175.8 | 175.6 | 0 | 0 | 111.9 | H1009 G1016 A1017 | H1009-E1013 WeakPolarHBondContact O-CG 3.27Å; H1009-E1013 PolarHBondContact O-N 2.91Å; E1013-G1016 PolarHBondContact O-N 3.42Å; E1013-A1017 WeakPolarHBondContact O-CB 3.34Å; E1013-A1017 PolarHBondContact O-N 2.53Å |
| 1014 | V | 81.4 | Confident | 66 | Low | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | -179.2 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | L938 A939 L942 T1010 G1011 A1017 L1018 | L938-V1014 HydrophobicContact CB-CG2 3.73Å; L938-V1014 HydrophobicContact CD1-CG2 4.07Å; A939-V1014 HydrophobicContact CB-CG1 3.94Å; L942-V1014 HydrophobicContact CD2-CG1 4.08Å; T1010-V1014 WeakPolarHBondContact O-CG2 3.38Å; T1010-V1014 PolarHBondContact O-N 3.44Å; G1011-V1014 PolarHBondContact O-N 3.31Å; V1014-A1017 PolarHBondContact O-N 3.28Å; V1014-L1018 HydrophobicContact CG1-CD1 4.26Å; V1014-L1018 PolarHBondContact O-N 3.32Å |
| 1015 | I | 82.6 | Confident | 68.8 | Low | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 175.9 | -61.8 | -160.6 | 0 | 0 | 0 | 111.1 | I912 F915 L942 Y947 G1011 T1012 A1017 L1018 I1019 L1067 | I912-I1015 HydrophobicContact CD1-CD1 3.74Å; I912-I1015 HydrophobicContact CG1-CD1 4.02Å; F915-I1015 HydrophobicContact CD1-CG2 4.15Å; F915-I1015 HydrophobicContact CE1-CG2 3.79Å; F915-I1015 HydrophobicContact CZ-CG2 4.33Å; L942-I1015 HydrophobicContact CD2-CD1 4.21Å; L942-I1015 HydrophobicContact CD2-CG1 3.78Å; Y947-I1015 HydrophobicContact CD1-CD1 4.33Å; Y947-I1015 HydrophobicContact CD2-CB 4.48Å; Y947-I1015 HydrophobicContact CD2-CD1 3.32Å; Y947-I1015 HydrophobicContact CD2-CG1 3.79Å; Y947-I1015 HydrophobicContact CE1-CD1 4.33Å; Y947-I1015 HydrophobicContact CE2-CB 4.09Å; Y947-I1015 HydrophobicContact CE2-CD1 3.43Å; Y947-I1015 VanDerWaalsContact CE2-CD1 3.43Å; Y947-I1015 HydrophobicContact CE2-CG1 3.88Å; Y947-I1015 HydrophobicContact CG-CD1 3.79Å; G1011-I1015 PolarHBondContact O-N 2.83Å; T1012-I1015 PolarHBondContact O-N 3.11Å; I1015-A1017 VanDerWaalsContact C-N 3.3Å; I1015-A1017 PolarHBondContact O-N 3.34Å; I1015-L1018 WeakPolarHBondContact O-CB 3.49Å; I1015-L1018 PolarHBondContact O-N 3.15Å; I1015-I1019 HydrophobicContact CG2-CD1 4.06Å; I1015-I1019 HydrophobicContact CG2-CG1 4.38Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.07Å; I1015-I1019 PolarHBondContact O-N 2.81Å; I1015-L1067 HydrophobicContact CB-CD2 4.35Å; I1015-L1067 HydrophobicContact CG2-CD2 3.47Å; I1015-L1067 VanDerWaalsContact CG2-CD2 3.47Å |
| 1016 | G | 77.9 | Confident | 71.2 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.4 | -42 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1012 E1013 I1019 T1020 | T1012-G1016 PolarHBondContact O-N 3.07Å; E1013-G1016 PolarHBondContact O-N 3.42Å; G1016-I1019 PolarHBondContact O-N 3.29Å; G1016-T1020 PolarHBondContact O-N 3.47Å; G1016-T1020 PolarHBondContact O-OG1 2.95Å |
| 1017 | A | 81.4 | Confident | 73.1 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 20% | 0.198 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L931 E1013 V1014 I1015 T1020 A1021 | L931-A1017 HydrophobicContact CD2-CB 4.06Å; E1013-A1017 WeakPolarHBondContact O-CB 3.34Å; E1013-A1017 PolarHBondContact O-N 2.53Å; V1014-A1017 PolarHBondContact O-N 3.28Å; I1015-A1017 VanDerWaalsContact C-N 3.3Å; I1015-A1017 PolarHBondContact O-N 3.34Å; A1017-T1020 PolarHBondContact O-N 3.31Å; A1017-A1021 WeakPolarHBondContact O-CB 3.32Å; A1017-A1021 PolarHBondContact O-N 3.07Å |
| 1018 | L | 84.9 | Confident | 74.5 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 174.4 | -89.6 | 160.6 | 0 | 0 | 0 | 112.4 | F759 F915 L919 M928 L931 V1014 I1015 T1020 A1021 L1022 | F759-L1018 HydrophobicContact CE2-CD1 3.94Å; F759-L1018 HydrophobicContact CZ-CD1 4.25Å; F759-L1018 HydrophobicContact CZ-CD2 4.34Å; F915-L1018 HydrophobicContact CE1-CB 4.35Å; F915-L1018 HydrophobicContact CZ-CB 4.01Å; L919-L1018 HydrophobicContact CD1-CD2 4.35Å; M928-L1018 HydrophobicContact SD-CD2 3.7Å; L931-L1018 HydrophobicContact CD1-CD2 4.09Å; L931-L1018 HydrophobicContact CD1-CG 4.49Å; L931-L1018 HydrophobicContact CD2-CG 4.29Å; V1014-L1018 HydrophobicContact CG1-CD1 4.26Å; V1014-L1018 PolarHBondContact O-N 3.32Å; I1015-L1018 WeakPolarHBondContact O-CB 3.49Å; I1015-L1018 PolarHBondContact O-N 3.15Å; L1018-T1020 VanDerWaalsContact C-N 3.33Å; L1018-A1021 PolarHBondContact O-N 3.39Å; L1018-L1022 WeakPolarHBondContact O-CB 3.4Å; L1018-L1022 PolarHBondContact O-N 3.19Å |
| 1019 | I | 82.9 | Confident | 75.7 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 174.6 | -69.9 | 169.1 | 0 | 0 | 0 | 109.7 | F915 I1015 G1016 A1021 L1022 I1023 L1067 F1068 | F915-I1019 HydrophobicContact CD2-CG1 4.19Å; F915-I1019 HydrophobicContact CE2-CB 4.5Å; F915-I1019 HydrophobicContact CE2-CD1 4.35Å; F915-I1019 HydrophobicContact CE2-CG1 3.41Å; F915-I1019 VanDerWaalsContact CE2-CG1 3.41Å; F915-I1019 HydrophobicContact CZ-CG1 3.58Å; I1015-I1019 HydrophobicContact CG2-CD1 4.06Å; I1015-I1019 HydrophobicContact CG2-CG1 4.38Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.07Å; I1015-I1019 PolarHBondContact O-N 2.81Å; G1016-I1019 PolarHBondContact O-N 3.29Å; I1019-A1021 VanDerWaalsContact C-N 3.32Å; I1019-A1021 PolarHBondContact O-N 2.86Å; I1019-L1022 PolarHBondContact O-N 3.37Å; I1019-I1023 HydrophobicContact CG2-CD1 3.8Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.3Å; I1019-I1023 PolarHBondContact O-N 2.83Å; I1019-L1067 HydrophobicContact CD1-CB 4.3Å; I1019-L1067 HydrophobicContact CD1-CD2 4.29Å; I1019-F1068 HydrophobicContact CG2-CD2 3.63Å; I1019-F1068 HydrophobicContact CG2-CE2 3.86Å |
| 1020 | T | 79.8 | Confident | 76 | Confident | 57 Ų | 57 | 28.3 Ų | 28.3 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 178.5 | -48.3 | 0 | 0 | 0 | 0 | 110.9 | G1016 A1017 L1018 I1023 E1024 | G1016-T1020 PolarHBondContact O-N 3.47Å; G1016-T1020 PolarHBondContact O-OG1 2.95Å; A1017-T1020 PolarHBondContact O-N 3.31Å; L1018-T1020 VanDerWaalsContact C-N 3.33Å; T1020-I1023 PolarHBondContact O-N 3.13Å; T1020-E1024 WeakPolarHBondContact O-CB 3.23Å; T1020-E1024 WeakPolarHBondContact O-CG 3.33Å; T1020-E1024 PolarHBondContact O-N 3Å |
| 1021 | A | 82.7 | Confident | 75.8 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I927 R930 L931 A1017 L1018 I1019 Y1025 | I927-A1021 HydrophobicContact CG2-CB 4.04Å; R930-A1021 HydrophobicContact CB-CB 4.29Å; L931-A1021 HydrophobicContact CD1-CB 3.45Å; L931-A1021 VanDerWaalsContact CD1-CB 3.45Å; L931-A1021 HydrophobicContact CG-CB 4.16Å; A1017-A1021 WeakPolarHBondContact O-CB 3.32Å; A1017-A1021 PolarHBondContact O-N 3.07Å; L1018-A1021 PolarHBondContact O-N 3.39Å; I1019-A1021 VanDerWaalsContact C-N 3.32Å; I1019-A1021 PolarHBondContact O-N 2.86Å; A1021-Y1025 WeakPolarHBondContact O-CB 3.23Å; A1021-Y1025 PolarHBondContact O-N 3.43Å |
| 1022 | L | 84.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 172.8 | 175.9 | 70.6 | 0 | 0 | 0 | 110.6 | F915 I918 L919 I927 L1018 I1019 Y1025 Y1026 L1060 | F915-L1022 HydrophobicContact CE2-CD2 4.42Å; I918-L1022 HydrophobicContact CG2-CD2 4.13Å; L919-L1022 HydrophobicContact CD2-CD1 4.34Å; I927-L1022 HydrophobicContact CD1-CD1 3.57Å; I927-L1022 HydrophobicContact CG1-CD1 4.46Å; I927-L1022 HydrophobicContact CG2-CB 4.45Å; L1018-L1022 WeakPolarHBondContact O-CB 3.4Å; L1018-L1022 PolarHBondContact O-N 3.19Å; I1019-L1022 PolarHBondContact O-N 3.37Å; L1022-Y1025 VanDerWaalsContact O-CB 3.3Å; L1022-Y1025 WeakPolarHBondContact O-CB 3.36Å; L1022-Y1025 PolarHBondContact O-N 3.44Å; L1022-Y1026 HydrophobicContact CD1-CD2 4.21Å; L1022-Y1026 HydrophobicContact CD1-CE2 4.11Å; L1022-Y1026 WeakPolarHBondContact O-CD2 3.33Å; L1022-Y1026 PolarHBondContact O-N 3.07Å; L1022-Y1026 VanDerWaalsContact O-N 3.08Å; L1022-L1060 HydrophobicContact CD2-CD1 4.31Å; L1022-L1060 HydrophobicContact CD2-CD2 4.44Å |
| 1023 | I | 80.4 | Confident | 74.6 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 176.8 | -67.3 | 165.4 | 0 | 0 | 0 | 110 | I1019 T1020 Y1025 Y1026 L1027 F1068 A1076 | I1019-I1023 HydrophobicContact CG2-CD1 3.8Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.3Å; I1019-I1023 PolarHBondContact O-N 2.83Å; T1020-I1023 PolarHBondContact O-N 3.13Å; I1023-Y1025 PolarHBondContact O-N 3.41Å; I1023-Y1026 PolarHBondContact O-N 3.09Å; I1023-L1027 HydrophobicContact CG2-CD1 3.79Å; I1023-L1027 HydrophobicContact CG2-CG 4.25Å; I1023-L1027 WeakPolarHBondContact O-CB 3.34Å; I1023-L1027 VanDerWaalsContact O-CG 3.22Å; I1023-L1027 WeakPolarHBondContact O-CG 3.45Å; I1023-L1027 PolarHBondContact O-N 3.35Å; I1023-F1068 HydrophobicContact CD1-CE2 3.48Å; I1023-F1068 VanDerWaalsContact CD1-CE2 3.48Å; I1023-F1068 HydrophobicContact CD1-CZ 3.81Å; I1023-A1076 HydrophobicContact CD1-CB 4.16Å; I1023-A1076 HydrophobicContact CG2-CB 3.76Å |
| 1024 | E | 78.2 | Confident | 73.5 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.5 | -32.8 | 172.8 | -75.4 | -178.5 | 175 | 0 | 0 | 112.7 | T1020 V1028 R1143 | T1020-E1024 WeakPolarHBondContact O-CB 3.23Å; T1020-E1024 WeakPolarHBondContact O-CG 3.33Å; T1020-E1024 PolarHBondContact O-N 3Å; E1024-V1028 VanDerWaalsContact O-CG2 3.3Å; E1024-V1028 WeakPolarHBondContact O-CG2 3.49Å; E1024-V1028 PolarHBondContact O-N 2.97Å; E1024-V1028 VanDerWaalsContact O-N 3.09Å; E1024-R1143 IonicContact OE1-CZ 3.89Å; E1024-R1143 IonicContact OE1-NH2 3.96Å; E1024-R1143 PolarHBondContact OE1-NH2 2.96Å |
| 1025 | Y | 80.6 | Confident | 71.9 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -51.2 | 172.6 | 174.7 | -77.5 | 0 | 0 | 0 | 112.1 | K926 I927 R930 A1021 L1022 I1023 V1028 E1029 | K926-Y1025 HydrophobicContact CB-CD2 3.83Å; K926-Y1025 HydrophobicContact CB-CE2 3.48Å; K926-Y1025 VanDerWaalsContact CB-CE2 3.48Å; K926-Y1025 HydrophobicContact CD-CE2 3.67Å; K926-Y1025 HydrophobicContact CG-CE2 4.24Å; I927-Y1025 HydrophobicContact CG1-CD2 3.54Å; I927-Y1025 HydrophobicContact CG1-CE2 4.26Å; I927-Y1025 HydrophobicContact CG1-CG 3.76Å; R930-Y1025 VanDerWaalsContact CZ-CA 3.4Å; A1021-Y1025 WeakPolarHBondContact O-CB 3.23Å; A1021-Y1025 PolarHBondContact O-N 3.43Å; L1022-Y1025 VanDerWaalsContact O-CB 3.3Å; L1022-Y1025 WeakPolarHBondContact O-CB 3.36Å; L1022-Y1025 PolarHBondContact O-N 3.44Å; I1023-Y1025 PolarHBondContact O-N 3.41Å; Y1025-V1028 PolarHBondContact O-N 3.07Å; Y1025-E1029 HydrophobicContact CE1-CG 4.16Å; Y1025-E1029 VanDerWaalsContact CE1-OE2 3.27Å; Y1025-E1029 WeakPolarHBondContact CE1-OE2 3.25Å; Y1025-E1029 HydrophobicContact CE2-CG 4.47Å; Y1025-E1029 PolarHBondContact O-N 2.79Å; Y1025-E1029 PolarHBondContact OH-OE1 2.86Å; Y1025-E1029 PolarHBondContact OH-OE2 3.33Å |
| 1026 | Y | 77 | Confident | 70.3 | Confident | 18 Ų | 18 | 43 Ų | 43 | 7% | 0.071 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 178.5 | -94.5 | -96.5 | 0 | 0 | 0 | 112.3 | H922 L1022 I1023 V1028 A1030 L1051 I1056 | H922-Y1026 AromaticContact CD2-CE2 3.98Å; H922-Y1026 AromaticContact CE1-CE2 3.8Å; H922-Y1026 AromaticContact CE1-CZ 3.65Å; H922-Y1026 PolarHBondContact CE1-OH 2.73Å; H922-Y1026 AromaticContact NE2-CE2 3.56Å; H922-Y1026 AromaticContact NE2-CZ 3.74Å; H922-Y1026 PolarHBondContact NE2-OH 2.87Å; L1022-Y1026 HydrophobicContact CD1-CD2 4.21Å; L1022-Y1026 HydrophobicContact CD1-CE2 4.11Å; L1022-Y1026 WeakPolarHBondContact O-CD2 3.33Å; L1022-Y1026 PolarHBondContact O-N 3.07Å; L1022-Y1026 VanDerWaalsContact O-N 3.08Å; I1023-Y1026 PolarHBondContact O-N 3.09Å; Y1026-V1028 VanDerWaalsContact C-N 3.28Å; Y1026-V1028 PolarHBondContact O-N 3.37Å; Y1026-A1030 WeakPolarHBondContact O-CB 3.34Å; Y1026-A1030 PolarHBondContact O-N 2.86Å; Y1026-L1051 HydrophobicContact CD1-CD2 3.98Å; Y1026-L1051 HydrophobicContact CD1-CG 4.44Å; Y1026-L1051 HydrophobicContact CE1-CB 4.12Å; Y1026-L1051 HydrophobicContact CE1-CD2 3.23Å; Y1026-L1051 HydrophobicContact CE1-CG 3.61Å; Y1026-I1056 HydrophobicContact CD1-CB 4.34Å; Y1026-I1056 HydrophobicContact CD1-CG2 4.17Å; Y1026-I1056 HydrophobicContact CD2-CG1 4.23Å; Y1026-I1056 HydrophobicContact CD2-CG2 4.42Å; Y1026-I1056 HydrophobicContact CE1-CB 4.08Å; Y1026-I1056 HydrophobicContact CE1-CG1 4.43Å; Y1026-I1056 HydrophobicContact CE1-CG2 4.42Å; Y1026-I1056 HydrophobicContact CE2-CB 4.38Å; Y1026-I1056 HydrophobicContact CE2-CD1 3.95Å; Y1026-I1056 HydrophobicContact CE2-CG1 3.86Å; Y1026-I1056 HydrophobicContact CG-CG2 4.14Å |
| 1027 | L | 71 | Confident | 68.8 | Low | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -36.2 | 179.2 | -73.1 | 169.8 | 0 | 0 | 0 | 112.8 | I1023 S1031 V1053 E1080 I1083 | I1023-L1027 HydrophobicContact CG2-CD1 3.79Å; I1023-L1027 HydrophobicContact CG2-CG 4.25Å; I1023-L1027 WeakPolarHBondContact O-CB 3.34Å; I1023-L1027 VanDerWaalsContact O-CG 3.22Å; I1023-L1027 WeakPolarHBondContact O-CG 3.45Å; I1023-L1027 PolarHBondContact O-N 3.35Å; L1027-S1031 PolarHBondContact O-N 2.76Å; L1027-V1053 HydrophobicContact CD2-CG2 3.8Å; L1027-V1053 HydrophobicContact CG-CG2 4.39Å; L1027-E1080 VanDerWaalsContact CD2-CA 3.42Å; L1027-E1080 HydrophobicContact CD2-CB 3.54Å; L1027-E1080 HydrophobicContact CD2-CG 3.94Å; L1027-I1083 HydrophobicContact CB-CD1 3.71Å; L1027-I1083 HydrophobicContact CD1-CD1 3.89Å; L1027-I1083 HydrophobicContact CD2-CD1 4.19Å; L1027-I1083 HydrophobicContact CG-CD1 4.16Å |
| 1028 | V | 71.3 | Confident | 67 | Low | 55 Ų | 55 | 50.2 Ų | 50.2 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -83.8 | -41.7 | -180 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | E1024 Y1025 Y1026 A1030 S1031 E1032 | E1024-V1028 VanDerWaalsContact O-CG2 3.3Å; E1024-V1028 WeakPolarHBondContact O-CG2 3.49Å; E1024-V1028 PolarHBondContact O-N 2.97Å; E1024-V1028 VanDerWaalsContact O-N 3.09Å; Y1025-V1028 PolarHBondContact O-N 3.07Å; Y1026-V1028 VanDerWaalsContact C-N 3.28Å; Y1026-V1028 PolarHBondContact O-N 3.37Å; V1028-A1030 VanDerWaalsContact C-N 3.31Å; V1028-A1030 PolarHBondContact O-N 3.46Å; V1028-S1031 WeakPolarHBondContact CA-OG 3.37Å; V1028-S1031 WeakPolarHBondContact O-CA 3.41Å; V1028-S1031 WeakPolarHBondContact O-CB 3.32Å; V1028-S1031 PolarHBondContact O-N 3.18Å; V1028-S1031 PolarHBondContact O-OG 3.42Å; V1028-E1032 PolarHBondContact O-N 3.27Å; V1028-E1032 VanDerWaalsContact O-N 3.16Å |
| 1029 | E | 67 | Low | 65 | Low | 48 Ų | 48 | 58.2 Ų | 58.2 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 175.8 | -77.6 | -154.6 | 162 | 0 | 0 | 111.9 | K926 Y1025 S1031 E1032 E1033 | K926-E1029 IonicContact NZ-OE1 3.77Å; K926-E1029 PolarHBondContact NZ-OE1 2.87Å; Y1025-E1029 HydrophobicContact CE1-CG 4.16Å; Y1025-E1029 VanDerWaalsContact CE1-OE2 3.27Å; Y1025-E1029 WeakPolarHBondContact CE1-OE2 3.25Å; Y1025-E1029 HydrophobicContact CE2-CG 4.47Å; Y1025-E1029 PolarHBondContact O-N 2.79Å; Y1025-E1029 PolarHBondContact OH-OE1 2.86Å; Y1025-E1029 PolarHBondContact OH-OE2 3.33Å; E1029-S1031 PolarHBondContact O-N 2.94Å; E1029-E1032 PolarHBondContact O-N 3.23Å; E1029-E1033 PolarHBondContact O-N 3.4Å |
| 1030 | A | 56.2 | Low | 62.7 | Low | 27 Ų | 27 | 63.3 Ų | 63.3 | 22% | 0.223 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -27.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1026 V1028 L1034 | Y1026-A1030 WeakPolarHBondContact O-CB 3.34Å; Y1026-A1030 PolarHBondContact O-N 2.86Å; V1028-A1030 VanDerWaalsContact C-N 3.31Å; V1028-A1030 PolarHBondContact O-N 3.46Å; A1030-L1034 WeakPolarHBondContact O-CG 3.39Å; A1030-L1034 PolarHBondContact O-N 3.42Å |
| 1031 | S | 59 | Low | 60.6 | Low | 23 Ų | 23 | 67.8 Ų | 67.8 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.5 | -33.9 | 175.2 | 72 | 0 | 0 | 0 | 0 | 113.5 | L1027 V1028 E1029 L1034 E1035 | L1027-S1031 PolarHBondContact O-N 2.76Å; V1028-S1031 WeakPolarHBondContact CA-OG 3.37Å; V1028-S1031 WeakPolarHBondContact O-CA 3.41Å; V1028-S1031 WeakPolarHBondContact O-CB 3.32Å; V1028-S1031 PolarHBondContact O-N 3.18Å; V1028-S1031 PolarHBondContact O-OG 3.42Å; E1029-S1031 PolarHBondContact O-N 2.94Å; S1031-L1034 PolarHBondContact O-N 2.93Å; S1031-E1035 PolarHBondContact O-N 3.05Å; S1031-E1035 VanDerWaalsContact O-N 3.1Å |
| 1032 | E | 61.4 | Low | 58 | Low | 119 Ų | 119 | 75.2 Ų | 75.2 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70 | -37.5 | 177.5 | -71.6 | -176.8 | 171.1 | 0 | 0 | 111.4 | V1028 E1029 E1035 E1036 | V1028-E1032 PolarHBondContact O-N 3.27Å; V1028-E1032 VanDerWaalsContact O-N 3.16Å; E1029-E1032 PolarHBondContact O-N 3.23Å; E1032-E1035 PolarHBondContact O-N 2.79Å; E1032-E1036 PolarHBondContact O-N 2.75Å |
| 1033 | E | 51.9 | Low | 55.3 | Low | 114 Ų | 114 | 79.9 Ų | 79.9 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 173 | -75.3 | -174.1 | 164.5 | 0 | 0 | 112.3 | E1029 E1035 E1036 E1037 | E1029-E1033 PolarHBondContact O-N 3.4Å; E1033-E1035 VanDerWaalsContact C-N 3.35Å; E1033-E1035 PolarHBondContact O-N 3.08Å; E1033-E1036 PolarHBondContact O-N 3.25Å; E1033-E1037 PolarHBondContact O-N 2.97Å |
| 1034 | L | 50.2 | Low | 52.8 | Low | 75 Ų | 75 | 84.4 Ų | 84.4 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 174.7 | -80.5 | 166.2 | 0 | 0 | 0 | 112.6 | A1030 S1031 S1038 | A1030-L1034 WeakPolarHBondContact O-CG 3.39Å; A1030-L1034 PolarHBondContact O-N 3.42Å; S1031-L1034 PolarHBondContact O-N 2.93Å; L1034-S1038 WeakPolarHBondContact O-CB 3.23Å; L1034-S1038 PolarHBondContact O-N 3.18Å; L1034-S1038 VanDerWaalsContact O-N 3.08Å |
| 1035 | E | 48.9 | Very low | 50.3 | Low | 76 Ų | 76 | 88.5 Ų | 88.5 | 36% | 0.355 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 171.4 | -81.2 | -162 | -167 | 0 | 0 | 112.2 | S1031 E1032 E1033 S1038 R1039 | S1031-E1035 PolarHBondContact O-N 3.05Å; S1031-E1035 VanDerWaalsContact O-N 3.1Å; E1032-E1035 PolarHBondContact O-N 2.79Å; E1033-E1035 VanDerWaalsContact C-N 3.35Å; E1033-E1035 PolarHBondContact O-N 3.08Å; E1035-S1038 PolarHBondContact O-N 3.12Å; E1035-S1038 PolarHBondContact O-OG 3.23Å; E1035-R1039 PolarHBondContact O-N 3.33Å; E1035-R1039 IonicContact OE2-CZ 3.13Å; E1035-R1039 IonicContact OE2-NH1 2.93Å; E1035-R1039 IonicContact OE2-NH2 2.77Å; E1035-R1039 PolarHBondContact OE2-NH2 3.42Å |
| 1036 | E | 49.2 | Very low | 47.8 | Very low | 132 Ų | 132 | 93.7 Ų | 93.7 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.7 | -39.5 | 176.2 | -79 | -167.8 | 155.7 | 0 | 0 | 113 | E1032 E1033 S1038 R1039 N1040 | E1032-E1036 PolarHBondContact O-N 2.75Å; E1033-E1036 PolarHBondContact O-N 3.25Å; E1036-S1038 VanDerWaalsContact C-N 3.29Å; E1036-S1038 PolarHBondContact O-N 3.43Å; E1036-R1039 PolarHBondContact O-N 2.85Å; E1036-R1039 VanDerWaalsContact O-N 3.16Å; E1036-N1040 PolarHBondContact O-N 3.06Å |
| 1037 | E | 45.4 | Very low | 45.4 | Very low | 140 Ų | 140 | 97.6 Ų | 97.6 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.4 | -37.9 | 172.4 | -83.9 | -169.6 | 147 | 0 | 0 | 111.6 | E1033 R1039 N1040 | E1033-E1037 PolarHBondContact O-N 2.97Å; E1037-R1039 VanDerWaalsContact C-N 3.27Å; E1037-R1039 PolarHBondContact O-N 3.37Å; E1037-N1040 PolarHBondContact O-N 2.73Å |
| 1038 | S | 45.2 | Very low | 43.4 | Very low | 67 Ų | 67 | 104.1 Ų | 104.1 | 47% | 0.469 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.3 | -24.7 | 176.6 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | L1034 E1035 E1036 | L1034-S1038 WeakPolarHBondContact O-CB 3.23Å; L1034-S1038 PolarHBondContact O-N 3.18Å; L1034-S1038 VanDerWaalsContact O-N 3.08Å; E1035-S1038 PolarHBondContact O-N 3.12Å; E1035-S1038 PolarHBondContact O-OG 3.23Å; E1036-S1038 VanDerWaalsContact C-N 3.29Å; E1036-S1038 PolarHBondContact O-N 3.43Å |
| 1039 | R | 41.6 | Very low | 41.9 | Very low | 170 Ų | 170 | 108.1 Ų | 108.1 | 64% | 0.642 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -86.8 | -19.7 | 176 | -70.2 | -175.6 | -164.3 | 110.4 | 10.2 | 113.4 | E1035 E1036 E1037 | E1035-R1039 PolarHBondContact O-N 3.33Å; E1035-R1039 IonicContact OE2-CZ 3.13Å; E1035-R1039 IonicContact OE2-NH1 2.93Å; E1035-R1039 IonicContact OE2-NH2 2.77Å; E1035-R1039 PolarHBondContact OE2-NH2 3.42Å; E1036-R1039 PolarHBondContact O-N 2.85Å; E1036-R1039 VanDerWaalsContact O-N 3.16Å; E1037-R1039 VanDerWaalsContact C-N 3.27Å; E1037-R1039 PolarHBondContact O-N 3.37Å |
| 1040 | N | 34.4 | Very low | 40.9 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | trans | -123.2 | 67.2 | -174.4 | -79.1 | -27.6 | 0 | 0 | 0 | 113.1 | E1036 E1037 L1042 | E1036-N1040 PolarHBondContact O-N 3.06Å; E1037-N1040 PolarHBondContact O-N 2.73Å; N1040-L1042 PolarHBondContact O-N 2.97Å | ||
| 1041 | I | 36.1 | Very low | 40.8 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 77% | 0.774 | 62% | 0.622 | S | S | * | * | trans | -77.9 | 67.9 | 158.9 | -51.4 | 175.7 | 0 | 0 | 0 | 108.6 | ||||
| 1042 | L | 28 | Very low | 41.1 | Very low | 159 Ų | 159 | 116.3 Ų | 116.3 | 83% | 0.832 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 171.3 | 86.7 | 154.6 | -117.3 | 90.1 | 0 | 0 | 0 | 108.2 | N1040 | N1040-L1042 PolarHBondContact O-N 2.97Š|
| 1043 | S | 27.6 | Very low | 41.7 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 69% | 0.685 | 60% | 0.604 | S | S | * | * | trans | 166.2 | 120 | 134.5 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1044 | T | 28.3 | Very low | 42.9 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | trans | 64 | 105.7 | 140.7 | 58.3 | 0 | 0 | 0 | 0 | 121.1 | T1046 | T1044-T1046 PolarHBondContact O-N 3.43Å; T1044-T1046 VanDerWaalsContact O-N 3.11Å | ||
| 1045 | T | 26.7 | Very low | 44.4 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 87% | 0.871 | 61% | 0.606 | S | S | * | * | trans | -19.9 | 99.6 | 132.4 | 38.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1046 | T | 27.7 | Very low | 45.9 | Very low | 119 Ų | 119 | 107 Ų | 107 | 73% | 0.73 | 59% | 0.591 | S | S | * | * | trans | -136.1 | 115 | 146.5 | 37.4 | 0 | 0 | 0 | 0 | 107.9 | T1044 N1048 | T1044-T1046 PolarHBondContact O-N 3.43Å; T1044-T1046 VanDerWaalsContact O-N 3.11Å; T1046-N1048 PolarHBondContact O-N 2.67Å; T1046-N1048 VanDerWaalsContact O-N 3.14Å | ||
| 1047 | A | 26.9 | Very low | 47.6 | Very low | 101 Ų | 101 | 101.3 Ų | 101.3 | 84% | 0.835 | 57% | 0.565 | S | S | * | * | trans | -54.2 | 112.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1048 | N | 29.2 | Very low | 49.4 | Very low | 142 Ų | 142 | 97.6 Ų | 97.6 | 76% | 0.759 | 56% | 0.555 | S | S | * | * | trans | -146.8 | 94.7 | 160.7 | -89.3 | -24 | 0 | 0 | 0 | 107.6 | T1046 | T1046-N1048 PolarHBondContact O-N 2.67Å; T1046-N1048 VanDerWaalsContact O-N 3.14Å | ||
| 1049 | N | 39 | Very low | 51.3 | Low | 139 Ų | 139 | 98.8 Ų | 98.8 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | trans | 28.3 | 89.4 | 164.2 | -59.4 | -14.2 | 0 | 0 | 0 | 116.5 | L1051 | N1049-L1051 HydrophobicContact CB-CD1 4.39Å; N1049-L1051 WeakPolarHBondContact O-CD1 3.45Å; N1049-L1051 PolarHBondContact O-N 3.19Å | ||
| 1050 | N | 45.9 | Very low | 53.3 | Low | 141 Ų | 141 | 90.7 Ų | 90.7 | 75% | 0.754 | 52% | 0.518 | S | S | * | . | trans | -52.2 | 101.4 | 164.8 | -63.5 | 7.8 | 0 | 0 | 0 | 109.2 | T1052 | N1050-T1052 VanDerWaalsContact C-N 3.25Å; N1050-T1052 HydrophobicContact CB-CG2 4.36Å; N1050-T1052 PolarHBondContact O-N 3.33Å | ||
| 1051 | L | 54.4 | Low | 55.8 | Low | 72 Ų | 72 | 87.9 Ų | 87.9 | 38% | 0.377 | 50% | 0.501 | S | S | . | . | trans | -76 | 73.9 | -179.7 | -113.1 | 85.3 | 0 | 0 | 0 | 109 | Y1026 N1049 | Y1026-L1051 HydrophobicContact CD1-CD2 3.98Å; Y1026-L1051 HydrophobicContact CD1-CG 4.44Å; Y1026-L1051 HydrophobicContact CE1-CB 4.12Å; Y1026-L1051 HydrophobicContact CE1-CD2 3.23Å; Y1026-L1051 HydrophobicContact CE1-CG 3.61Å; N1049-L1051 HydrophobicContact CB-CD1 4.39Å; N1049-L1051 WeakPolarHBondContact O-CD1 3.45Å; N1049-L1051 PolarHBondContact O-N 3.19Å | ||
| 1052 | T | 64.6 | Low | 58.1 | Low | 56 Ų | 56 | 85.1 Ų | 85.1 | 34% | 0.344 | 50% | 0.495 | S | S | . | . | trans | -82.1 | 145.3 | 177.7 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | N1050 E1054 T1055 I1056 | N1050-T1052 VanDerWaalsContact C-N 3.25Å; N1050-T1052 HydrophobicContact CB-CG2 4.36Å; N1050-T1052 PolarHBondContact O-N 3.33Å; T1052-E1054 PolarHBondContact O-N 3.35Å; T1052-T1055 WeakPolarHBondContact O-CB 3.29Å; T1052-T1055 PolarHBondContact O-N 3.12Å; T1052-T1055 PolarHBondContact OG1-OG1 3.45Å; T1052-I1056 PolarHBondContact O-N 3.07Å | ||
| 1053 | V | 74.7 | Confident | 60.7 | Low | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58.6 | -30.4 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | L1027 T1055 I1056 T1057 A1076 E1080 | L1027-V1053 HydrophobicContact CD2-CG2 3.8Å; L1027-V1053 HydrophobicContact CG-CG2 4.39Å; V1053-T1055 VanDerWaalsContact C-N 3.29Å; V1053-T1055 PolarHBondContact O-N 3.49Å; V1053-I1056 WeakPolarHBondContact O-CG2 3.48Å; V1053-I1056 PolarHBondContact O-N 2.85Å; V1053-T1057 HydrophobicContact CG1-CG2 3.96Å; V1053-T1057 WeakPolarHBondContact O-CB 3.4Å; V1053-T1057 VanDerWaalsContact O-CG2 3.32Å; V1053-T1057 WeakPolarHBondContact O-CG2 3.45Å; V1053-T1057 PolarHBondContact O-N 3.21Å; V1053-T1057 PolarHBondContact O-OG1 3.41Å; V1053-A1076 HydrophobicContact CG1-CB 4.4Å; V1053-E1080 WeakPolarHBondContact CB-OE2 3.37Å; V1053-E1080 HydrophobicContact CG2-CB 4.47Å; V1053-E1080 HydrophobicContact CG2-CG 4.1Å |
| 1054 | E | 77.7 | Confident | 63.2 | Low | 103 Ų | 103 | 73.7 Ų | 73.7 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.5 | -35 | 172.6 | -73.3 | -170.1 | 154.9 | 0 | 0 | 113 | T1052 T1057 S1058 K1077 | T1052-E1054 PolarHBondContact O-N 3.35Å; E1054-T1057 WeakPolarHBondContact CA-OG1 3.49Å; E1054-T1057 PolarHBondContact O-OG1 3.07Å; E1054-S1058 VanDerWaalsContact O-CB 3.23Å; E1054-S1058 WeakPolarHBondContact O-CB 3.42Å; E1054-S1058 PolarHBondContact O-N 3.28Å; E1054-S1058 PolarHBondContact O-OG 3.07Å; E1054-K1077 IonicContact OE1-NZ 3.1Å; E1054-K1077 PolarHBondContact OE1-NZ 3.49Å |
| 1055 | T | 80.2 | Confident | 65.7 | Low | 79 Ų | 79 | 71.9 Ų | 71.9 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 179.3 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | T1052 V1053 S1058 R1059 | T1052-T1055 WeakPolarHBondContact O-CB 3.29Å; T1052-T1055 PolarHBondContact O-N 3.12Å; T1052-T1055 PolarHBondContact OG1-OG1 3.45Å; V1053-T1055 VanDerWaalsContact C-N 3.29Å; V1053-T1055 PolarHBondContact O-N 3.49Å; T1055-S1058 PolarHBondContact O-OG 2.82Å; T1055-S1058 VanDerWaalsContact O-OG 3.07Å; T1055-R1059 VanDerWaalsContact O-CB 3.25Å; T1055-R1059 WeakPolarHBondContact O-CB 3.4Å; T1055-R1059 PolarHBondContact O-N 3.06Å; T1055-R1059 VanDerWaalsContact O-N 3.13Å |
| 1056 | I | 82.4 | Confident | 68 | Low | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74.3 | -39.3 | 179.8 | -160.3 | 65.4 | 0 | 0 | 0 | 112.1 | I918 Y1026 T1052 V1053 R1059 L1060 | I918-I1056 HydrophobicContact CG2-CD1 3.68Å; Y1026-I1056 HydrophobicContact CD1-CB 4.34Å; Y1026-I1056 HydrophobicContact CD1-CG2 4.17Å; Y1026-I1056 HydrophobicContact CD2-CG1 4.23Å; Y1026-I1056 HydrophobicContact CD2-CG2 4.42Å; Y1026-I1056 HydrophobicContact CE1-CB 4.08Å; Y1026-I1056 HydrophobicContact CE1-CG1 4.43Å; Y1026-I1056 HydrophobicContact CE1-CG2 4.42Å; Y1026-I1056 HydrophobicContact CE2-CB 4.38Å; Y1026-I1056 HydrophobicContact CE2-CD1 3.95Å; Y1026-I1056 HydrophobicContact CE2-CG1 3.86Å; Y1026-I1056 HydrophobicContact CG-CG2 4.14Å; T1052-I1056 PolarHBondContact O-N 3.07Å; V1053-I1056 WeakPolarHBondContact O-CG2 3.48Å; V1053-I1056 PolarHBondContact O-N 2.85Å; I1056-R1059 PolarHBondContact O-N 2.76Å; I1056-L1060 HydrophobicContact CG1-CD1 4.37Å; I1056-L1060 WeakPolarHBondContact O-CB 3.24Å; I1056-L1060 WeakPolarHBondContact O-CG 3.46Å; I1056-L1060 PolarHBondContact O-N 3.1Å |
| 1057 | T | 83.7 | Confident | 70.3 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 8% | 0.08 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 179.4 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | V1053 E1054 R1059 L1060 Q1061 F1068 A1073 A1076 | V1053-T1057 HydrophobicContact CG1-CG2 3.96Å; V1053-T1057 WeakPolarHBondContact O-CB 3.4Å; V1053-T1057 VanDerWaalsContact O-CG2 3.32Å; V1053-T1057 WeakPolarHBondContact O-CG2 3.45Å; V1053-T1057 PolarHBondContact O-N 3.21Å; V1053-T1057 PolarHBondContact O-OG1 3.41Å; E1054-T1057 WeakPolarHBondContact CA-OG1 3.49Å; E1054-T1057 PolarHBondContact O-OG1 3.07Å; T1057-R1059 VanDerWaalsContact C-N 3.32Å; T1057-R1059 PolarHBondContact O-N 3.31Å; T1057-L1060 PolarHBondContact O-N 3.1Å; T1057-Q1061 WeakPolarHBondContact O-CG 3.48Å; T1057-Q1061 PolarHBondContact O-N 3.21Å; T1057-F1068 HydrophobicContact CG2-CE1 3.94Å; T1057-F1068 HydrophobicContact CG2-CZ 3.87Å; T1057-A1073 HydrophobicContact CG2-CB 4.46Å; T1057-A1076 HydrophobicContact CG2-CB 3.89Å |
| 1058 | S | 84.1 | Confident | 72.7 | Confident | 62 Ų | 62 | 62 Ų | 62 | 43% | 0.434 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 172.8 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | E1054 T1055 Q1061 S1062 | E1054-S1058 VanDerWaalsContact O-CB 3.23Å; E1054-S1058 WeakPolarHBondContact O-CB 3.42Å; E1054-S1058 PolarHBondContact O-N 3.28Å; E1054-S1058 PolarHBondContact O-OG 3.07Å; T1055-S1058 PolarHBondContact O-OG 2.82Å; T1055-S1058 VanDerWaalsContact O-OG 3.07Å; S1058-Q1061 PolarHBondContact O-N 3.23Å; S1058-S1062 WeakPolarHBondContact O-CB 3.35Å; S1058-S1062 PolarHBondContact O-N 3.18Å; S1058-S1062 PolarHBondContact O-OG 3Å |
| 1059 | R | 84.2 | Confident | 75 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 175.3 | -167.5 | 170.4 | 178.5 | -172.6 | -6.5 | 111.6 | I918 E921 T1055 I1056 T1057 S1062 T1063 | I918-R1059 HydrophobicContact CD1-CG 4.14Å; E921-R1059 VanDerWaalsContact CD-NH2 3.31Å; E921-R1059 IonicContact OE1-CZ 3.92Å; E921-R1059 IonicContact OE1-NH1 3.46Å; E921-R1059 IonicContact OE1-NH2 3.12Å; E921-R1059 PolarHBondContact OE1-NH2 3.22Å; E921-R1059 IonicContact OE2-CZ 3.98Å; E921-R1059 VanDerWaalsContact OE2-CZ 3.29Å; E921-R1059 IonicContact OE2-NH1 3.85Å; E921-R1059 PolarHBondContact OE2-NH1 2.95Å; E921-R1059 IonicContact OE2-NH2 3.18Å; E921-R1059 PolarHBondContact OE2-NH2 2.87Å; T1055-R1059 VanDerWaalsContact O-CB 3.25Å; T1055-R1059 WeakPolarHBondContact O-CB 3.4Å; T1055-R1059 PolarHBondContact O-N 3.06Å; T1055-R1059 VanDerWaalsContact O-N 3.13Å; I1056-R1059 PolarHBondContact O-N 2.76Å; T1057-R1059 VanDerWaalsContact C-N 3.32Å; T1057-R1059 PolarHBondContact O-N 3.31Å; R1059-S1062 PolarHBondContact O-N 3.37Å; R1059-S1062 PolarHBondContact O-OG 3.1Å; R1059-T1063 VanDerWaalsContact O-CB 3.28Å; R1059-T1063 WeakPolarHBondContact O-CB 3.4Å; R1059-T1063 PolarHBondContact O-N 3.11Å; R1059-T1063 PolarHBondContact O-OG1 3.08Å |
| 1060 | L | 84.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 174.6 | -74.7 | 167.6 | 0 | 0 | 0 | 111.7 | F915 I918 L1022 I1056 T1057 S1062 T1063 C1064 F1068 | F915-L1060 HydrophobicContact CD2-CD2 3.91Å; F915-L1060 HydrophobicContact CE2-CD2 4.31Å; I918-L1060 HydrophobicContact CD1-CD2 3.86Å; I918-L1060 HydrophobicContact CD1-CG 4.44Å; I918-L1060 HydrophobicContact CG2-CD2 4.49Å; L1022-L1060 HydrophobicContact CD2-CD1 4.31Å; L1022-L1060 HydrophobicContact CD2-CD2 4.44Å; I1056-L1060 HydrophobicContact CG1-CD1 4.37Å; I1056-L1060 WeakPolarHBondContact O-CB 3.24Å; I1056-L1060 WeakPolarHBondContact O-CG 3.46Å; I1056-L1060 PolarHBondContact O-N 3.1Å; T1057-L1060 PolarHBondContact O-N 3.1Å; L1060-S1062 VanDerWaalsContact C-N 3.34Å; L1060-S1062 PolarHBondContact O-N 2.96Å; L1060-T1063 PolarHBondContact O-N 3.33Å; L1060-C1064 PolarHBondContact O-N 3.38Å; L1060-C1064 PolarHBondContact O-SG 3.33Å; L1060-F1068 HydrophobicContact CB-CB 4.14Å; L1060-F1068 HydrophobicContact CB-CD1 3.56Å; L1060-F1068 HydrophobicContact CB-CE1 4.16Å; L1060-F1068 HydrophobicContact CB-CG 3.92Å; L1060-F1068 HydrophobicContact CD1-CD1 4.41Å; L1060-F1068 HydrophobicContact CD1-CE1 4.45Å; L1060-F1068 HydrophobicContact CD1-CG 4.47Å |
| 1061 | Q | 86.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 50.1 Ų | 50.1 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 176.4 | -75.2 | -179.1 | -8.8 | 0 | 0 | 112.8 | T1057 S1058 T1063 F1068 N1070 | T1057-Q1061 WeakPolarHBondContact O-CG 3.48Å; T1057-Q1061 PolarHBondContact O-N 3.21Å; S1058-Q1061 PolarHBondContact O-N 3.23Å; Q1061-T1063 VanDerWaalsContact C-N 3.33Å; Q1061-F1068 HydrophobicContact CG-CD1 3.87Å; Q1061-F1068 HydrophobicContact CG-CE1 4.27Å; Q1061-N1070 PolarHBondContact NE2-OD1 3.46Å; Q1061-N1070 VanDerWaalsContact NE2-OD1 3.15Å |
| 1062 | S | 84.4 | Confident | 79.9 | Confident | 92 Ų | 92 | 50 Ų | 50 | 64% | 0.643 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -71 | -29.5 | 179.1 | 71.8 | 0 | 0 | 0 | 0 | 113 | S1058 R1059 L1060 | S1058-S1062 WeakPolarHBondContact O-CB 3.35Å; S1058-S1062 PolarHBondContact O-N 3.18Å; S1058-S1062 PolarHBondContact O-OG 3Å; R1059-S1062 PolarHBondContact O-N 3.37Å; R1059-S1062 PolarHBondContact O-OG 3.1Å; L1060-S1062 VanDerWaalsContact C-N 3.34Å; L1060-S1062 PolarHBondContact O-N 2.96Å |
| 1063 | T | 82.2 | Confident | 80.8 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -94.4 | -39.1 | -171.3 | -49.3 | 0 | 0 | 0 | 0 | 112.4 | I918 R1059 L1060 Q1061 | I918-T1063 HydrophobicContact CD1-CG2 4.14Å; R1059-T1063 VanDerWaalsContact O-CB 3.28Å; R1059-T1063 WeakPolarHBondContact O-CB 3.4Å; R1059-T1063 PolarHBondContact O-N 3.11Å; R1059-T1063 PolarHBondContact O-OG1 3.08Å; L1060-T1063 PolarHBondContact O-N 3.33Å; Q1061-T1063 VanDerWaalsContact C-N 3.33Å |
| 1064 | C | 81.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -139.4 | 67.5 | -175 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | E911 L1060 R1066 L1067 F1068 | E911-C1064 HydrophobicContact CB-CB 4.19Å; L1060-C1064 PolarHBondContact O-N 3.38Å; L1060-C1064 PolarHBondContact O-SG 3.33Å; C1064-R1066 VanDerWaalsContact C-N 3.29Å; C1064-R1066 PolarHBondContact O-N 3.31Å; C1064-L1067 HydrophobicContact CB-CB 3.95Å; C1064-L1067 HydrophobicContact CB-CD1 3.91Å; C1064-L1067 PolarHBondContact O-N 3.22Å; C1064-L1067 VanDerWaalsContact O-N 3.11Å; C1064-F1068 PolarHBondContact O-N 3.05Å | ||
| 1065 | P | 79.5 | Confident | 81.5 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.2 | -172.7 | 26.3 | -35.4 | 0 | 0 | 0 | 114.9 | ||
| 1066 | R | 75 | Confident | 81.5 | Confident | 125 Ų | 125 | 42.6 Ų | 42.6 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -22.9 | 174.8 | -60 | 174.6 | -176.7 | -178.3 | 4.2 | 112.7 | M908 E911 C1064 | M908-R1066 HydrophobicContact CE-CB 4.47Å; M908-R1066 PolarHBondContact SD-NH1 2.73Å; M908-R1066 VanDerWaalsContact SD-NH1 3.37Å; E911-R1066 WeakPolarHBondContact OE1-CD 3.35Å; E911-R1066 IonicContact OE1-CZ 2.89Å; E911-R1066 IonicContact OE1-NE 3.48Å; E911-R1066 PolarHBondContact OE1-NE 3.29Å; E911-R1066 VanDerWaalsContact OE2-CB 3.25Å; E911-R1066 WeakPolarHBondContact OE2-CB 3.32Å; E911-R1066 WeakPolarHBondContact OE2-CG 3.35Å; E911-R1066 PolarHBondContact OE2-N 2.97Å; C1064-R1066 VanDerWaalsContact C-N 3.29Å; C1064-R1066 PolarHBondContact O-N 3.31Å |
| 1067 | L | 75.4 | Confident | 81.6 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -36.9 | -177.8 | -88.8 | 157.7 | 0 | 0 | 0 | 112 | I912 Y947 I1015 I1019 C1064 | I912-L1067 HydrophobicContact CG1-CD1 4.35Å; Y947-L1067 HydrophobicContact CE2-CD2 4.4Å; Y947-L1067 WeakPolarHBondContact OH-CD2 3.28Å; Y947-L1067 WeakPolarHBondContact OH-CG 3.43Å; I1015-L1067 HydrophobicContact CB-CD2 4.35Å; I1015-L1067 HydrophobicContact CG2-CD2 3.47Å; I1015-L1067 VanDerWaalsContact CG2-CD2 3.47Å; I1019-L1067 HydrophobicContact CD1-CB 4.3Å; I1019-L1067 HydrophobicContact CD1-CD2 4.29Å; C1064-L1067 HydrophobicContact CB-CB 3.95Å; C1064-L1067 HydrophobicContact CB-CD1 3.91Å; C1064-L1067 PolarHBondContact O-N 3.22Å; C1064-L1067 VanDerWaalsContact O-N 3.11Å |
| 1068 | F | 77.9 | Confident | 81.7 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -128.6 | 99.6 | -178 | -165 | -108.3 | 0 | 0 | 0 | 110 | I1019 I1023 T1057 L1060 Q1061 C1064 D1072 A1073 | I1019-F1068 HydrophobicContact CG2-CD2 3.63Å; I1019-F1068 HydrophobicContact CG2-CE2 3.86Å; I1023-F1068 HydrophobicContact CD1-CE2 3.48Å; I1023-F1068 VanDerWaalsContact CD1-CE2 3.48Å; I1023-F1068 HydrophobicContact CD1-CZ 3.81Å; T1057-F1068 HydrophobicContact CG2-CE1 3.94Å; T1057-F1068 HydrophobicContact CG2-CZ 3.87Å; L1060-F1068 HydrophobicContact CB-CB 4.14Å; L1060-F1068 HydrophobicContact CB-CD1 3.56Å; L1060-F1068 HydrophobicContact CB-CE1 4.16Å; L1060-F1068 HydrophobicContact CB-CG 3.92Å; L1060-F1068 HydrophobicContact CD1-CD1 4.41Å; L1060-F1068 HydrophobicContact CD1-CE1 4.45Å; L1060-F1068 HydrophobicContact CD1-CG 4.47Å; Q1061-F1068 HydrophobicContact CG-CD1 3.87Å; Q1061-F1068 HydrophobicContact CG-CE1 4.27Å; C1064-F1068 PolarHBondContact O-N 3.05Å; F1068-D1072 HydrophobicContact CD2-CB 3.58Å; F1068-D1072 HydrophobicContact CE2-CB 3.32Å; F1068-D1072 HydrophobicContact CG-CB 4.32Å; F1068-D1072 HydrophobicContact CZ-CB 3.87Å; F1068-A1073 HydrophobicContact CE1-CB 3.69Å; F1068-A1073 HydrophobicContact CZ-CB 4.09Å |
| 1069 | A | 78.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 24% | 0.24 | 22% | 0.223 | C | C | . | . | trans | -81.5 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1071 D1072 A1073 | A1069-E1071 PolarHBondContact O-N 2.79Å; A1069-D1072 PolarHBondContact N-OD2 3.2Å; A1069-D1072 PolarHBondContact O-N 3.38Å; A1069-A1073 PolarHBondContact O-N 3.39Å | ||
| 1070 | N | 82.1 | Confident | 81.5 | Confident | 99 Ų | 99 | 39.6 Ų | 39.6 | 53% | 0.529 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -31.1 | 174.1 | -166.8 | 47.4 | 0 | 0 | 0 | 112.8 | Q1061 A1073 M1074 | Q1061-N1070 PolarHBondContact NE2-OD1 3.46Å; Q1061-N1070 VanDerWaalsContact NE2-OD1 3.15Å; N1070-A1073 PolarHBondContact O-N 3.44Å; N1070-M1074 WeakPolarHBondContact O-CG 3.09Å; N1070-M1074 PolarHBondContact O-N 3.04Å; N1070-M1074 VanDerWaalsContact O-N 3.08Å |
| 1071 | E | 80 | Confident | 81.4 | Confident | 45 Ų | 45 | 39.9 Ų | 39.9 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | -180 | -55.7 | 163.4 | -168 | 0 | 0 | 110.6 | A1069 M1074 C1075 A1131 S1134 | A1069-E1071 PolarHBondContact O-N 2.79Å; E1071-M1074 PolarHBondContact O-N 3.39Å; E1071-C1075 PolarHBondContact O-N 2.92Å; E1071-C1075 PolarHBondContact O-SG 2.9Å; E1071-A1131 HydrophobicContact CB-CB 4.49Å; E1071-A1131 WeakPolarHBondContact CG-O 3.43Å; E1071-S1134 VanDerWaalsContact CD-OG 3.28Å; E1071-S1134 WeakPolarHBondContact OE2-CB 3.42Å; E1071-S1134 PolarHBondContact OE2-OG 3.36Å |
| 1072 | D | 80.8 | Confident | 81.3 | Confident | 70 Ų | 70 | 37.2 Ų | 37.2 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67 | -38.2 | 177.1 | -55.9 | -50.2 | 0 | 0 | 0 | 111.7 | F1068 A1069 C1075 A1076 | F1068-D1072 HydrophobicContact CD2-CB 3.58Å; F1068-D1072 HydrophobicContact CE2-CB 3.32Å; F1068-D1072 HydrophobicContact CG-CB 4.32Å; F1068-D1072 HydrophobicContact CZ-CB 3.87Å; A1069-D1072 PolarHBondContact N-OD2 3.2Å; A1069-D1072 PolarHBondContact O-N 3.38Å; D1072-C1075 PolarHBondContact O-N 3Å; D1072-A1076 WeakPolarHBondContact O-CB 3.46Å; D1072-A1076 PolarHBondContact O-N 2.95Å |
| 1073 | A | 81.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1057 F1068 A1069 N1070 C1075 A1076 K1077 | T1057-A1073 HydrophobicContact CG2-CB 4.46Å; F1068-A1073 HydrophobicContact CE1-CB 3.69Å; F1068-A1073 HydrophobicContact CZ-CB 4.09Å; A1069-A1073 PolarHBondContact O-N 3.39Å; N1070-A1073 PolarHBondContact O-N 3.44Å; A1073-C1075 VanDerWaalsContact C-N 3.33Å; A1073-A1076 PolarHBondContact O-N 3.3Å; A1073-K1077 PolarHBondContact O-N 3.43Å |
| 1074 | M | 83.5 | Confident | 80.6 | Confident | 43 Ų | 43 | 37 Ų | 37 | 21% | 0.212 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 173.2 | -73.4 | -175.6 | 148 | 0 | 0 | 111.4 | N1070 E1071 K1077 A1078 E1130 A1131 | N1070-M1074 WeakPolarHBondContact O-CG 3.09Å; N1070-M1074 PolarHBondContact O-N 3.04Å; N1070-M1074 VanDerWaalsContact O-N 3.08Å; E1071-M1074 PolarHBondContact O-N 3.39Å; M1074-K1077 PolarHBondContact O-N 2.89Å; M1074-A1078 WeakPolarHBondContact O-CB 3.34Å; M1074-A1078 PolarHBondContact O-N 3.44Å; M1074-E1130 HydrophobicContact CE-CB 4.22Å; M1074-E1130 WeakPolarHBondContact CE-OE2 3.41Å; M1074-E1130 HydrophobicContact SD-CB 4.04Å; M1074-A1131 HydrophobicContact CB-CB 4.37Å |
| 1075 | C | 83.3 | Confident | 80.4 | Confident | 25 Ų | 25 | 37 Ų | 37 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 175.9 | -65.5 | 0 | 0 | 0 | 0 | 112.9 | E1071 D1072 A1073 S1079 Y1128 | E1071-C1075 PolarHBondContact O-N 2.92Å; E1071-C1075 PolarHBondContact O-SG 2.9Å; D1072-C1075 PolarHBondContact O-N 3Å; A1073-C1075 VanDerWaalsContact C-N 3.33Å; C1075-S1079 WeakPolarHBondContact O-CB 3.4Å; C1075-S1079 PolarHBondContact O-N 3.24Å; C1075-S1079 PolarHBondContact O-OG 3.07Å; C1075-S1079 VanDerWaalsContact O-OG 3.08Å; C1075-Y1128 HydrophobicContact CB-CD1 4.35Å; C1075-Y1128 HydrophobicContact CB-CE1 3.98Å |
| 1076 | A | 81.7 | Confident | 80.2 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1023 V1053 T1057 D1072 A1073 S1079 E1080 | I1023-A1076 HydrophobicContact CD1-CB 4.16Å; I1023-A1076 HydrophobicContact CG2-CB 3.76Å; V1053-A1076 HydrophobicContact CG1-CB 4.4Å; T1057-A1076 HydrophobicContact CG2-CB 3.89Å; D1072-A1076 WeakPolarHBondContact O-CB 3.46Å; D1072-A1076 PolarHBondContact O-N 2.95Å; A1073-A1076 PolarHBondContact O-N 3.3Å; A1076-S1079 VanDerWaalsContact O-CB 3.29Å; A1076-S1079 WeakPolarHBondContact O-CB 3.48Å; A1076-S1079 PolarHBondContact O-N 3.27Å; A1076-E1080 PolarHBondContact O-N 2.84Å |
| 1077 | K | 83.6 | Confident | 80 | Confident | 66 Ų | 66 | 30.7 Ų | 30.7 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.8 | -42 | 176.2 | -170.5 | 169.5 | 179.1 | 169.9 | 0 | 112.2 | E1054 A1073 M1074 S1079 E1080 C1081 L1127 | E1054-K1077 IonicContact OE1-NZ 3.1Å; E1054-K1077 PolarHBondContact OE1-NZ 3.49Å; A1073-K1077 PolarHBondContact O-N 3.43Å; M1074-K1077 PolarHBondContact O-N 2.89Å; K1077-S1079 VanDerWaalsContact C-N 3.26Å; K1077-S1079 PolarHBondContact O-N 2.91Å; K1077-E1080 WeakPolarHBondContact O-CB 3.46Å; K1077-E1080 PolarHBondContact O-N 2.89Å; K1077-E1080 VanDerWaalsContact O-N 3.14Å; K1077-C1081 PolarHBondContact O-N 3.4Å; K1077-C1081 VanDerWaalsContact O-N 3.08Å; K1077-C1081 PolarHBondContact O-SG 2.78Å; K1077-C1081 VanDerWaalsContact O-SG 3.37Å; K1077-L1127 HydrophobicContact CB-CD1 4.21Å; K1077-L1127 HydrophobicContact CD-CD1 4.33Å; K1077-L1127 HydrophobicContact CG-CD1 3.93Å |
| 1078 | A | 86.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1074 C1081 L1082 A1124 L1127 Y1128 | M1074-A1078 WeakPolarHBondContact O-CB 3.34Å; M1074-A1078 PolarHBondContact O-N 3.44Å; A1078-C1081 PolarHBondContact O-N 3.27Å; A1078-L1082 WeakPolarHBondContact O-CG 3.29Å; A1078-L1082 PolarHBondContact O-N 3.13Å; A1078-A1124 HydrophobicContact CB-CB 4.26Å; A1078-A1124 WeakPolarHBondContact O-CB 3.39Å; A1078-L1127 HydrophobicContact CB-CB 3.84Å; A1078-L1127 HydrophobicContact CB-CD1 4.28Å; A1078-Y1128 HydrophobicContact CB-CD1 3.7Å; A1078-Y1128 HydrophobicContact CB-CD2 3.86Å; A1078-Y1128 HydrophobicContact CB-CE1 3.56Å; A1078-Y1128 HydrophobicContact CB-CE2 3.7Å; A1078-Y1128 HydrophobicContact CB-CG 3.87Å |
| 1079 | S | 83.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.2 | -77.8 | 0 | 0 | 0 | 0 | 113.6 | C1075 A1076 K1077 L1082 I1083 Y1128 R1143 | C1075-S1079 WeakPolarHBondContact O-CB 3.4Å; C1075-S1079 PolarHBondContact O-N 3.24Å; C1075-S1079 PolarHBondContact O-OG 3.07Å; C1075-S1079 VanDerWaalsContact O-OG 3.08Å; A1076-S1079 VanDerWaalsContact O-CB 3.29Å; A1076-S1079 WeakPolarHBondContact O-CB 3.48Å; A1076-S1079 PolarHBondContact O-N 3.27Å; K1077-S1079 VanDerWaalsContact C-N 3.26Å; K1077-S1079 PolarHBondContact O-N 2.91Å; S1079-L1082 PolarHBondContact O-N 3.43Å; S1079-I1083 WeakPolarHBondContact O-CG1 3.45Å; S1079-I1083 PolarHBondContact O-N 3.23Å; S1079-Y1128 PolarHBondContact OG-OH 3.17Å; S1079-R1143 PolarHBondContact OG-NH1 3.1Å |
| 1080 | E | 79.9 | Confident | 79.1 | Confident | 34 Ų | 34 | 35.3 Ų | 35.3 | 16% | 0.159 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 174 | -171.4 | -176.7 | -170.6 | 0 | 0 | 111.5 | L1027 V1053 A1076 K1077 L1082 I1083 Q1084 | L1027-E1080 VanDerWaalsContact CD2-CA 3.42Å; L1027-E1080 HydrophobicContact CD2-CB 3.54Å; L1027-E1080 HydrophobicContact CD2-CG 3.94Å; V1053-E1080 WeakPolarHBondContact CB-OE2 3.37Å; V1053-E1080 HydrophobicContact CG2-CB 4.47Å; V1053-E1080 HydrophobicContact CG2-CG 4.1Å; A1076-E1080 PolarHBondContact O-N 2.84Å; K1077-E1080 WeakPolarHBondContact O-CB 3.46Å; K1077-E1080 PolarHBondContact O-N 2.89Å; K1077-E1080 VanDerWaalsContact O-N 3.14Å; E1080-L1082 PolarHBondContact O-N 2.92Å; E1080-I1083 PolarHBondContact O-N 3.23Å; E1080-I1083 VanDerWaalsContact O-N 3.13Å; E1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; E1080-Q1084 PolarHBondContact O-N 3.19Å |
| 1081 | C | 83.2 | Confident | 78.4 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.8 | -40.9 | 177.1 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | K1077 A1078 A1085 L1120 A1124 | K1077-C1081 PolarHBondContact O-N 3.4Å; K1077-C1081 VanDerWaalsContact O-N 3.08Å; K1077-C1081 PolarHBondContact O-SG 2.78Å; K1077-C1081 VanDerWaalsContact O-SG 3.37Å; A1078-C1081 PolarHBondContact O-N 3.27Å; C1081-A1085 WeakPolarHBondContact O-CB 3.22Å; C1081-A1085 PolarHBondContact O-N 3.32Å; C1081-L1120 HydrophobicContact CB-CB 4.48Å; C1081-L1120 HydrophobicContact CB-CD2 4.26Å; C1081-A1124 HydrophobicContact CB-CB 4.09Å |
| 1082 | L | 82.2 | Confident | 77.8 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.4 | -40 | 178.2 | -70.3 | 179.6 | 0 | 0 | 0 | 113.1 | A1078 S1079 E1080 A1085 S1086 I1121 A1124 Y1128 R1143 L1144 C1147 | A1078-L1082 WeakPolarHBondContact O-CG 3.29Å; A1078-L1082 PolarHBondContact O-N 3.13Å; S1079-L1082 PolarHBondContact O-N 3.43Å; E1080-L1082 PolarHBondContact O-N 2.92Å; L1082-A1085 PolarHBondContact O-N 2.85Å; L1082-S1086 PolarHBondContact O-N 3.32Å; L1082-I1121 HydrophobicContact CD2-CG1 4.26Å; L1082-A1124 HydrophobicContact CD1-CB 4.46Å; L1082-A1124 HydrophobicContact CD2-CB 3.82Å; L1082-A1124 HydrophobicContact CG-CB 3.78Å; L1082-Y1128 HydrophobicContact CD1-CE2 3.94Å; L1082-R1143 HydrophobicContact CD1-CB 3.94Å; L1082-L1144 HydrophobicContact CD1-CD2 3.94Å; L1082-L1144 HydrophobicContact CD1-CG 4.13Å; L1082-L1144 HydrophobicContact CD2-CD2 3.8Å; L1082-L1144 HydrophobicContact CG-CD2 4.5Å; L1082-C1147 HydrophobicContact CD2-CB 4.33Å; L1082-C1147 PolarHBondContact O-SG 3.47Å |
| 1083 | I | 77 | Confident | 76.9 | Confident | 42 Ų | 42 | 33.3 Ų | 33.3 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -45.4 | 177.2 | -71.5 | 170.2 | 0 | 0 | 0 | 110 | L1027 S1079 E1080 A1085 S1086 I1087 | L1027-I1083 HydrophobicContact CB-CD1 3.71Å; L1027-I1083 HydrophobicContact CD1-CD1 3.89Å; L1027-I1083 HydrophobicContact CD2-CD1 4.19Å; L1027-I1083 HydrophobicContact CG-CD1 4.16Å; S1079-I1083 WeakPolarHBondContact O-CG1 3.45Å; S1079-I1083 PolarHBondContact O-N 3.23Å; E1080-I1083 PolarHBondContact O-N 3.23Å; E1080-I1083 VanDerWaalsContact O-N 3.13Å; I1083-A1085 VanDerWaalsContact C-N 3.31Å; I1083-A1085 PolarHBondContact O-N 3.31Å; I1083-S1086 WeakPolarHBondContact O-CB 3.46Å; I1083-S1086 PolarHBondContact O-N 3.18Å; I1083-S1086 PolarHBondContact O-OG 3.4Å; I1083-I1087 HydrophobicContact CG2-CD1 3.73Å; I1083-I1087 HydrophobicContact CG2-CG1 4.45Å; I1083-I1087 WeakPolarHBondContact O-CD1 3.27Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.48Å; I1083-I1087 PolarHBondContact O-N 3.38Å |
| 1084 | Q | 76 | Confident | 75.8 | Confident | 61 Ų | 61 | 35.7 Ų | 35.7 | 29% | 0.285 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.9 | -46.1 | 173.3 | -71.8 | 176.9 | -3.7 | 0 | 0 | 111.5 | E1080 S1086 I1087 I1088 L1120 | E1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; E1080-Q1084 PolarHBondContact O-N 3.19Å; Q1084-S1086 VanDerWaalsContact C-N 3.3Å; Q1084-S1086 PolarHBondContact O-N 3.19Å; Q1084-I1087 PolarHBondContact O-N 2.69Å; Q1084-I1088 VanDerWaalsContact O-CG1 3.28Å; Q1084-I1088 WeakPolarHBondContact O-CG1 3.41Å; Q1084-I1088 PolarHBondContact O-N 3.35Å; Q1084-L1120 HydrophobicContact CB-CD1 4.12Å |
| 1085 | A | 76.7 | Confident | 74.5 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1081 L1082 I1083 R1089 I1117 L1120 I1121 | C1081-A1085 WeakPolarHBondContact O-CB 3.22Å; C1081-A1085 PolarHBondContact O-N 3.32Å; L1082-A1085 PolarHBondContact O-N 2.85Å; I1083-A1085 VanDerWaalsContact C-N 3.31Å; I1083-A1085 PolarHBondContact O-N 3.31Å; A1085-R1089 VanDerWaalsContact O-CB 3.31Å; A1085-R1089 WeakPolarHBondContact O-CB 2.99Å; A1085-R1089 PolarHBondContact O-N 2.89Å; A1085-R1089 VanDerWaalsContact O-N 3.16Å; A1085-I1117 HydrophobicContact CB-CG2 4.32Å; A1085-L1120 HydrophobicContact CB-CB 4.12Å; A1085-L1120 HydrophobicContact CB-CD1 4.21Å; A1085-I1121 HydrophobicContact CB-CG1 4.28Å |
| 1086 | S | 76.2 | Confident | 73.2 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 177.6 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | L1082 I1083 Q1084 R1089 T1090 | L1082-S1086 PolarHBondContact O-N 3.32Å; I1083-S1086 WeakPolarHBondContact O-CB 3.46Å; I1083-S1086 PolarHBondContact O-N 3.18Å; I1083-S1086 PolarHBondContact O-OG 3.4Å; Q1084-S1086 VanDerWaalsContact C-N 3.3Å; Q1084-S1086 PolarHBondContact O-N 3.19Å; S1086-R1089 WeakPolarHBondContact O-CB 3.45Å; S1086-R1089 PolarHBondContact O-N 2.91Å; S1086-T1090 PolarHBondContact O-N 3.08Å; S1086-T1090 PolarHBondContact O-OG1 2.97Å |
| 1087 | I | 71 | Confident | 71.8 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.7 | -46 | -179.1 | -64.7 | 157.6 | 0 | 0 | 0 | 110.8 | I1083 Q1084 R1089 T1090 N1091 | I1083-I1087 HydrophobicContact CG2-CD1 3.73Å; I1083-I1087 HydrophobicContact CG2-CG1 4.45Å; I1083-I1087 WeakPolarHBondContact O-CD1 3.27Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.48Å; I1083-I1087 PolarHBondContact O-N 3.38Å; Q1084-I1087 PolarHBondContact O-N 2.69Å; I1087-R1089 PolarHBondContact O-N 2.68Å; I1087-T1090 WeakPolarHBondContact CA-OG1 3.3Å; I1087-T1090 PolarHBondContact O-N 3.36Å; I1087-T1090 PolarHBondContact O-OG1 3.42Å; I1087-N1091 PolarHBondContact O-N 2.73Å |
| 1088 | I | 73.6 | Confident | 69.6 | Low | 42 Ų | 42 | 50.8 Ų | 50.8 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 175.4 | -64.1 | 166.9 | 0 | 0 | 0 | 109.3 | Q1084 N1091 L1092 D1113 H1116 I1117 L1120 | Q1084-I1088 VanDerWaalsContact O-CG1 3.28Å; Q1084-I1088 WeakPolarHBondContact O-CG1 3.41Å; Q1084-I1088 PolarHBondContact O-N 3.35Å; I1088-N1091 PolarHBondContact O-N 2.85Å; I1088-L1092 WeakPolarHBondContact O-CB 3.35Å; I1088-L1092 PolarHBondContact O-N 3.45Å; I1088-D1113 HydrophobicContact CG2-CB 4.43Å; I1088-H1116 WeakPolarHBondContact CD1-ND1 3.24Å; I1088-I1117 HydrophobicContact CB-CD1 4.49Å; I1088-I1117 HydrophobicContact CB-CG1 4.27Å; I1088-I1117 HydrophobicContact CG2-CD1 4Å; I1088-I1117 HydrophobicContact CG2-CG1 3.96Å; I1088-L1120 HydrophobicContact CD1-CD1 3.96Å |
| 1089 | R | 69.9 | Low | 67.2 | Low | 34 Ų | 34 | 54.3 Ų | 54.3 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 178 | -167.2 | -177.9 | -145.4 | 120.2 | 4.1 | 113.1 | A1085 S1086 I1087 L1092 L1093 I1117 C1147 N1282 | A1085-R1089 VanDerWaalsContact O-CB 3.31Å; A1085-R1089 WeakPolarHBondContact O-CB 2.99Å; A1085-R1089 PolarHBondContact O-N 2.89Å; A1085-R1089 VanDerWaalsContact O-N 3.16Å; S1086-R1089 WeakPolarHBondContact O-CB 3.45Å; S1086-R1089 PolarHBondContact O-N 2.91Å; I1087-R1089 PolarHBondContact O-N 2.68Å; R1089-L1092 PolarHBondContact O-N 3.39Å; R1089-L1093 PolarHBondContact O-N 3.11Å; R1089-L1093 VanDerWaalsContact O-N 3.07Å; R1089-I1117 HydrophobicContact CB-CD1 4.16Å; R1089-C1147 PolarHBondContact NH1-O 3.24Å; R1089-N1282 PolarHBondContact NH2-ND2 2.85Å; R1089-N1282 PolarHBondContact NH2-O 3.29Å; R1089-N1282 VanDerWaalsContact NH2-O 3.1Å; R1089-N1282 PolarHBondContact NH2-OD1 3.5Å |
| 1090 | T | 68.5 | Low | 64.7 | Low | 81 Ų | 81 | 62 Ų | 62 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 177.5 | 43 | 0 | 0 | 0 | 0 | 111.9 | S1086 I1087 L1093 S1094 | S1086-T1090 PolarHBondContact O-N 3.08Å; S1086-T1090 PolarHBondContact O-OG1 2.97Å; I1087-T1090 WeakPolarHBondContact CA-OG1 3.3Å; I1087-T1090 PolarHBondContact O-N 3.36Å; I1087-T1090 PolarHBondContact O-OG1 3.42Å; T1090-L1093 PolarHBondContact O-N 2.63Å; T1090-S1094 PolarHBondContact O-N 3.28Å |
| 1091 | N | 67.2 | Low | 62.5 | Low | 58 Ų | 58 | 66.6 Ų | 66.6 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.8 | -72.2 | -15.1 | 0 | 0 | 0 | 111 | I1087 I1088 L1093 S1094 S1095 | I1087-N1091 PolarHBondContact O-N 2.73Å; I1088-N1091 PolarHBondContact O-N 2.85Å; N1091-L1093 VanDerWaalsContact C-N 3.29Å; N1091-L1093 PolarHBondContact O-N 3.49Å; N1091-S1094 PolarHBondContact O-N 2.68Å; N1091-S1094 VanDerWaalsContact O-N 3.14Å; N1091-S1094 PolarHBondContact O-OG 3.07Å; N1091-S1095 PolarHBondContact O-N 2.96Å; N1091-S1095 VanDerWaalsContact O-N 3.13Å; N1091-S1095 PolarHBondContact O-OG 3.22Å |
| 1092 | L | 67.5 | Low | 60.1 | Low | 37 Ų | 37 | 75.3 Ų | 75.3 | 19% | 0.194 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 177.4 | -146.7 | 145.8 | 0 | 0 | 0 | 112.1 | I1088 R1089 I1096 D1113 | I1088-L1092 WeakPolarHBondContact O-CB 3.35Å; I1088-L1092 PolarHBondContact O-N 3.45Å; R1089-L1092 PolarHBondContact O-N 3.39Å; L1092-I1096 HydrophobicContact CD2-CD1 3.99Å; L1092-I1096 WeakPolarHBondContact O-CD1 3.49Å; L1092-I1096 WeakPolarHBondContact O-CG1 3.37Å; L1092-I1096 PolarHBondContact O-N 3.32Å; L1092-D1113 HydrophobicContact CD1-CB 3.63Å |
| 1093 | L | 62 | Low | 57.8 | Low | 76 Ų | 76 | 79.5 Ų | 79.5 | 40% | 0.398 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 174.9 | -132 | 111 | 0 | 0 | 0 | 112.4 | R1089 T1090 N1091 S1095 I1096 N1097 | R1089-L1093 PolarHBondContact O-N 3.11Å; R1089-L1093 VanDerWaalsContact O-N 3.07Å; T1090-L1093 PolarHBondContact O-N 2.63Å; N1091-L1093 VanDerWaalsContact C-N 3.29Å; N1091-L1093 PolarHBondContact O-N 3.49Å; L1093-S1095 VanDerWaalsContact C-N 3.34Å; L1093-I1096 PolarHBondContact O-N 2.74Å; L1093-N1097 PolarHBondContact O-N 3.49Å |
| 1094 | S | 58.5 | Low | 55.7 | Low | 61 Ų | 61 | 84.4 Ų | 84.4 | 43% | 0.427 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 178.3 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | T1090 N1091 I1096 N1098 | T1090-S1094 PolarHBondContact O-N 3.28Å; N1091-S1094 PolarHBondContact O-N 2.68Å; N1091-S1094 VanDerWaalsContact O-N 3.14Å; N1091-S1094 PolarHBondContact O-OG 3.07Å; S1094-I1096 VanDerWaalsContact C-N 3.31Å; S1094-I1096 PolarHBondContact O-N 2.67Å; S1094-N1098 PolarHBondContact O-N 2.85Å |
| 1095 | S | 56.4 | Low | 54 | Low | 84 Ų | 84 | 88.1 Ų | 88.1 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69 | -27.2 | 174.7 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | N1091 L1093 | N1091-S1095 PolarHBondContact O-N 2.96Å; N1091-S1095 VanDerWaalsContact O-N 3.13Å; N1091-S1095 PolarHBondContact O-OG 3.22Å; L1093-S1095 VanDerWaalsContact C-N 3.34Å |
| 1096 | I | 57.2 | Low | 52.2 | Low | 109 Ų | 109 | 94.7 Ų | 94.7 | 56% | 0.559 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -80.5 | -32.2 | 179.2 | -66.4 | 166.9 | 0 | 0 | 0 | 111.7 | L1092 L1093 S1094 | L1092-I1096 HydrophobicContact CD2-CD1 3.99Å; L1092-I1096 WeakPolarHBondContact O-CD1 3.49Å; L1092-I1096 WeakPolarHBondContact O-CG1 3.37Å; L1092-I1096 PolarHBondContact O-N 3.32Å; L1093-I1096 PolarHBondContact O-N 2.74Å; S1094-I1096 VanDerWaalsContact C-N 3.31Å; S1094-I1096 PolarHBondContact O-N 2.67Å |
| 1097 | N | 50.4 | Low | 50.8 | Low | 127 Ų | 127 | 103 Ų | 103 | 68% | 0.679 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -83.1 | -21.8 | -178.2 | -85 | -20.7 | 0 | 0 | 0 | 114.4 | L1093 G1099 | L1093-N1097 PolarHBondContact O-N 3.49Å; N1097-G1099 PolarHBondContact O-N 3.02Å; N1097-G1099 VanDerWaalsContact O-N 3.16Å |
| 1098 | N | 38.9 | Very low | 49.6 | Very low | 135 Ų | 135 | 109.5 Ų | 109.5 | 72% | 0.722 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -83.8 | 87.3 | 172.7 | -73.4 | -20.2 | 0 | 0 | 0 | 109.6 | S1094 E1100 | S1094-N1098 PolarHBondContact O-N 2.85Å; N1098-E1100 PolarHBondContact O-N 3.22Å; N1098-E1100 VanDerWaalsContact O-N 3.08Å |
| 1099 | G | 35.7 | Very low | 48.2 | Very low | 74 Ų | 74 | 112.4 Ų | 112.4 | 76% | 0.763 | 60% | 0.603 | S | S | * | * | trans | -63.9 | 104.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | N1097 | N1097-G1099 PolarHBondContact O-N 3.02Å; N1097-G1099 VanDerWaalsContact O-N 3.16Å | ||
| 1100 | E | 31.2 | Very low | 47.3 | Very low | 170 Ų | 170 | 112.2 Ų | 112.2 | 79% | 0.794 | 61% | 0.612 | S | S | * | * | trans | -135 | 117.2 | 150.9 | -73.7 | -165.3 | 159.3 | 0 | 0 | 109.9 | N1098 | N1098-E1100 PolarHBondContact O-N 3.22Å; N1098-E1100 VanDerWaalsContact O-N 3.08Å | ||
| 1101 | N | 32.7 | Very low | 46.6 | Very low | 132 Ų | 132 | 113.8 Ų | 113.8 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | trans | 44.5 | 93.4 | 165.1 | -63.6 | -33.9 | 0 | 0 | 0 | 119 | S1103 | N1101-S1103 PolarHBondContact O-N 3.24Š| ||
| 1102 | L | 33.5 | Very low | 46.3 | Very low | 188 Ų | 188 | 113.7 Ų | 113.7 | 98% | 0.984 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 40.2 | 172.2 | -126.8 | 138.7 | 0 | 0 | 0 | 113.8 | ||
| 1103 | S | 33.6 | Very low | 46.1 | Very low | 92 Ų | 92 | 115.3 Ų | 115.3 | 64% | 0.643 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | -13.1 | 174.8 | 60 | 0 | 0 | 0 | 0 | 115.8 | N1101 | N1101-S1103 PolarHBondContact O-N 3.24Š|
| 1104 | D | 34.2 | Very low | 46.2 | Very low | 144 Ų | 144 | 116.5 Ų | 116.5 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -139.3 | 20.7 | -174.6 | -71.1 | -54.9 | 0 | 0 | 0 | 115.7 | Q1106 | D1104-Q1106 PolarHBondContact O-N 3.49Š|
| 1105 | I | 40.2 | Very low | 47 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -87.8 | 111.5 | 170.6 | -59.2 | 177 | 0 | 0 | 0 | 109.2 | Y1107 | I1105-Y1107 PolarHBondContact O-N 3.26Š|
| 1106 | Q | 38.3 | Very low | 47.8 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | trans | -45.8 | 116.9 | 177.8 | -68.7 | 160.3 | -53.8 | 0 | 0 | 112 | D1104 E1108 | D1104-Q1106 PolarHBondContact O-N 3.49Å; Q1106-E1108 PolarHBondContact O-N 2.94Å | ||
| 1107 | Y | 46.2 | Very low | 48.7 | Very low | 220 Ų | 220 | 112.5 Ų | 112.5 | 86% | 0.863 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -10 | 174 | -107 | -98.3 | 0 | 0 | 0 | 114.3 | I1105 | I1105-Y1107 PolarHBondContact O-N 3.26Š|
| 1108 | E | 45.5 | Very low | 50 | Low | 156 Ų | 156 | 108.7 Ų | 108.7 | 73% | 0.729 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -37.4 | -176.7 | -76.8 | -175.2 | 149.9 | 0 | 0 | 114.1 | Q1106 L1111 S1112 | Q1106-E1108 PolarHBondContact O-N 2.94Å; E1108-L1111 PolarHBondContact O-N 3.38Å; E1108-S1112 PolarHBondContact O-N 3.47Å |
| 1109 | N | 44.7 | Very low | 52.2 | Low | 102 Ų | 102 | 108.3 Ų | 108.3 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -76.1 | -32.7 | -175.7 | -70.2 | -10.5 | 0 | 0 | 0 | 113 | L1111 S1112 D1113 | N1109-L1111 VanDerWaalsContact C-N 3.26Å; N1109-L1111 PolarHBondContact O-N 3.1Å; N1109-S1112 PolarHBondContact O-OG 3Å; N1109-D1113 PolarHBondContact O-N 2.68Å |
| 1110 | G | 50.3 | Low | 54.5 | Low | 30 Ų | 30 | 105.2 Ų | 105.2 | 31% | 0.309 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.9 | -20.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1114 | G1110-R1114 WeakPolarHBondContact O-CD 3.38Å; G1110-R1114 VanDerWaalsContact O-CG 3.25Å; G1110-R1114 WeakPolarHBondContact O-CG 3.47Å |
| 1111 | L | 54.3 | Low | 57 | Low | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -81.1 | -41.1 | 178.4 | -142.4 | 88.7 | 0 | 0 | 0 | 111.3 | E1108 N1109 R1114 T1115 | E1108-L1111 PolarHBondContact O-N 3.38Å; N1109-L1111 VanDerWaalsContact C-N 3.26Å; N1109-L1111 PolarHBondContact O-N 3.1Å; L1111-R1114 PolarHBondContact O-N 3Å; L1111-T1115 WeakPolarHBondContact O-CG2 3.41Å; L1111-T1115 PolarHBondContact O-N 2.91Å; L1111-T1115 VanDerWaalsContact O-N 3.08Å; L1111-T1115 PolarHBondContact O-OG1 3.14Å |
| 1112 | S | 62 | Low | 59.6 | Low | 56 Ų | 56 | 95.2 Ų | 95.2 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.9 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | E1108 N1109 R1114 T1115 H1116 | E1108-S1112 PolarHBondContact O-N 3.47Å; N1109-S1112 PolarHBondContact O-OG 3Å; S1112-R1114 VanDerWaalsContact C-N 3.35Å; S1112-R1114 PolarHBondContact O-N 3.49Å; S1112-T1115 WeakPolarHBondContact CA-OG1 3.4Å; S1112-T1115 PolarHBondContact O-N 3.38Å; S1112-T1115 PolarHBondContact O-OG1 2.94Å; S1112-H1116 WeakPolarHBondContact O-CB 3.3Å; S1112-H1116 PolarHBondContact O-N 2.9Å |
| 1113 | D | 62.9 | Low | 62.2 | Low | 70 Ų | 70 | 90.4 Ų | 90.4 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | -177.6 | -65.9 | -10.2 | 0 | 0 | 0 | 111.9 | I1088 L1092 N1109 H1116 I1117 | I1088-D1113 HydrophobicContact CG2-CB 4.43Å; L1092-D1113 HydrophobicContact CD1-CB 3.63Å; N1109-D1113 PolarHBondContact O-N 2.68Å; D1113-H1116 PolarHBondContact O-N 2.66Å; D1113-I1117 WeakPolarHBondContact O-CG1 3.36Å; D1113-I1117 PolarHBondContact O-N 2.9Å |
| 1114 | R | 64.5 | Low | 64.8 | Low | 102 Ų | 102 | 86 Ų | 86 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 173.4 | -75.6 | 175 | -175.8 | -168.2 | -1 | 112.1 | G1110 L1111 S1112 H1116 I1117 D1118 | G1110-R1114 WeakPolarHBondContact O-CD 3.38Å; G1110-R1114 VanDerWaalsContact O-CG 3.25Å; G1110-R1114 WeakPolarHBondContact O-CG 3.47Å; L1111-R1114 PolarHBondContact O-N 3Å; S1112-R1114 VanDerWaalsContact C-N 3.35Å; S1112-R1114 PolarHBondContact O-N 3.49Å; R1114-H1116 VanDerWaalsContact C-N 3.26Å; R1114-H1116 PolarHBondContact O-N 3.21Å; R1114-I1117 PolarHBondContact O-N 3.49Å; R1114-D1118 PolarHBondContact O-N 2.88Å |
| 1115 | T | 74.2 | Confident | 67.4 | Low | 78 Ų | 78 | 81 Ų | 81 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65 | -32.2 | 175.1 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | L1111 S1112 D1118 Q1119 | L1111-T1115 WeakPolarHBondContact O-CG2 3.41Å; L1111-T1115 PolarHBondContact O-N 2.91Å; L1111-T1115 VanDerWaalsContact O-N 3.08Å; L1111-T1115 PolarHBondContact O-OG1 3.14Å; S1112-T1115 WeakPolarHBondContact CA-OG1 3.4Å; S1112-T1115 PolarHBondContact O-N 3.38Å; S1112-T1115 PolarHBondContact O-OG1 2.94Å; T1115-D1118 PolarHBondContact O-N 2.93Å; T1115-Q1119 PolarHBondContact O-N 3.15Å |
| 1116 | H | 74.3 | Confident | 69.8 | Low | 84 Ų | 84 | 79.1 Ų | 79.1 | 39% | 0.389 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 177.2 | -167.2 | -115.7 | 0 | 0 | 0 | 111.9 | I1088 S1112 D1113 R1114 D1118 Q1119 L1120 | I1088-H1116 WeakPolarHBondContact CD1-ND1 3.24Å; S1112-H1116 WeakPolarHBondContact O-CB 3.3Å; S1112-H1116 PolarHBondContact O-N 2.9Å; D1113-H1116 PolarHBondContact O-N 2.66Å; R1114-H1116 VanDerWaalsContact C-N 3.26Å; R1114-H1116 PolarHBondContact O-N 3.21Å; H1116-D1118 PolarHBondContact O-N 3.29Å; H1116-Q1119 PolarHBondContact O-N 3.34Å; H1116-L1120 WeakPolarHBondContact O-CG 3.37Å; H1116-L1120 PolarHBondContact O-N 3.14Å |
| 1117 | I | 75.7 | Confident | 72.3 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 172.8 | -69.2 | 165.7 | 0 | 0 | 0 | 111 | A1085 I1088 R1089 D1113 R1114 Q1119 L1120 I1121 | A1085-I1117 HydrophobicContact CB-CG2 4.32Å; I1088-I1117 HydrophobicContact CB-CD1 4.49Å; I1088-I1117 HydrophobicContact CB-CG1 4.27Å; I1088-I1117 HydrophobicContact CG2-CD1 4Å; I1088-I1117 HydrophobicContact CG2-CG1 3.96Å; R1089-I1117 HydrophobicContact CB-CD1 4.16Å; D1113-I1117 WeakPolarHBondContact O-CG1 3.36Å; D1113-I1117 PolarHBondContact O-N 2.9Å; R1114-I1117 PolarHBondContact O-N 3.49Å; I1117-Q1119 VanDerWaalsContact C-N 3.32Å; I1117-Q1119 PolarHBondContact O-N 3.08Å; I1117-L1120 PolarHBondContact O-N 3Å; I1117-I1121 HydrophobicContact CG2-CD1 3.83Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.34Å; I1117-I1121 PolarHBondContact O-N 3.34Å |
| 1118 | D | 77.7 | Confident | 74.3 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.2 | -33.3 | -179.2 | -73.1 | -20 | 0 | 0 | 0 | 112.2 | R1114 T1115 H1116 S1122 | R1114-D1118 PolarHBondContact O-N 2.88Å; T1115-D1118 PolarHBondContact O-N 2.93Å; H1116-D1118 PolarHBondContact O-N 3.29Å; D1118-S1122 VanDerWaalsContact O-CB 3.31Å; D1118-S1122 WeakPolarHBondContact O-CB 3.29Å; D1118-S1122 PolarHBondContact O-N 3.3Å; D1118-S1122 PolarHBondContact O-OG 3.35Å |
| 1119 | Q | 85.2 | Confident | 76.3 | Confident | 127 Ų | 127 | 57.9 Ų | 57.9 | 59% | 0.593 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.9 | -49 | 171.4 | -87.7 | -179.8 | -26.6 | 0 | 0 | 111.8 | T1115 H1116 I1117 I1121 S1122 E1123 | T1115-Q1119 PolarHBondContact O-N 3.15Å; H1116-Q1119 PolarHBondContact O-N 3.34Å; I1117-Q1119 VanDerWaalsContact C-N 3.32Å; I1117-Q1119 PolarHBondContact O-N 3.08Å; Q1119-I1121 VanDerWaalsContact C-N 3.35Å; Q1119-I1121 PolarHBondContact O-N 2.99Å; Q1119-S1122 PolarHBondContact O-N 3.08Å; Q1119-S1122 VanDerWaalsContact O-N 3.16Å; Q1119-E1123 WeakPolarHBondContact O-CB 3.39Å; Q1119-E1123 PolarHBondContact O-N 3.48Å |
| 1120 | L | 82.9 | Confident | 78.3 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 179.4 | -72.6 | 171.4 | 0 | 0 | 0 | 112.2 | C1081 Q1084 A1085 I1088 H1116 I1117 E1123 A1124 | C1081-L1120 HydrophobicContact CB-CB 4.48Å; C1081-L1120 HydrophobicContact CB-CD2 4.26Å; Q1084-L1120 HydrophobicContact CB-CD1 4.12Å; A1085-L1120 HydrophobicContact CB-CB 4.12Å; A1085-L1120 HydrophobicContact CB-CD1 4.21Å; I1088-L1120 HydrophobicContact CD1-CD1 3.96Å; H1116-L1120 WeakPolarHBondContact O-CG 3.37Å; H1116-L1120 PolarHBondContact O-N 3.14Å; I1117-L1120 PolarHBondContact O-N 3Å; L1120-E1123 PolarHBondContact O-N 3.24Å; L1120-A1124 WeakPolarHBondContact O-CB 3.22Å; L1120-A1124 PolarHBondContact O-N 3.44Å |
| 1121 | I | 84.5 | Confident | 79.8 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.8 | -67.8 | 171.1 | 0 | 0 | 0 | 110.7 | L1082 A1085 I1117 Q1119 A1124 I1125 A1149 | L1082-I1121 HydrophobicContact CD2-CG1 4.26Å; A1085-I1121 HydrophobicContact CB-CG1 4.28Å; I1117-I1121 HydrophobicContact CG2-CD1 3.83Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.34Å; I1117-I1121 PolarHBondContact O-N 3.34Å; Q1119-I1121 VanDerWaalsContact C-N 3.35Å; Q1119-I1121 PolarHBondContact O-N 2.99Å; I1121-A1124 PolarHBondContact O-N 3.47Å; I1121-I1125 HydrophobicContact CG2-CD1 3.89Å; I1121-I1125 WeakPolarHBondContact O-CD1 3.24Å; I1121-I1125 VanDerWaalsContact O-CG1 3.28Å; I1121-I1125 WeakPolarHBondContact O-CG1 3.5Å; I1121-I1125 PolarHBondContact O-N 2.95Å; I1121-A1149 HydrophobicContact CG2-CB 3.66Å |
| 1122 | S | 86.5 | Confident | 80.9 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 51% | 0.51 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 178.3 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | D1118 Q1119 I1125 L1126 | D1118-S1122 VanDerWaalsContact O-CB 3.31Å; D1118-S1122 WeakPolarHBondContact O-CB 3.29Å; D1118-S1122 PolarHBondContact O-N 3.3Å; D1118-S1122 PolarHBondContact O-OG 3.35Å; Q1119-S1122 PolarHBondContact O-N 3.08Å; Q1119-S1122 VanDerWaalsContact O-N 3.16Å; S1122-I1125 PolarHBondContact O-N 3.27Å; S1122-L1126 PolarHBondContact O-N 3.49Å; S1122-L1126 VanDerWaalsContact O-N 3.12Å |
| 1123 | E | 89.5 | Confident | 81.7 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.8 | -173.2 | 175.4 | 176.8 | 0 | 0 | 111.4 | Q1119 L1120 I1125 L1126 L1127 | Q1119-E1123 WeakPolarHBondContact O-CB 3.39Å; Q1119-E1123 PolarHBondContact O-N 3.48Å; L1120-E1123 PolarHBondContact O-N 3.24Å; E1123-I1125 VanDerWaalsContact C-N 3.35Å; E1123-I1125 PolarHBondContact O-N 3.08Å; E1123-L1126 WeakPolarHBondContact O-CB 3.43Å; E1123-L1126 PolarHBondContact O-N 3Å; E1123-L1126 VanDerWaalsContact O-N 3.13Å; E1123-L1127 HydrophobicContact CG-CD1 4.14Å; E1123-L1127 WeakPolarHBondContact O-CG 3.25Å; E1123-L1127 PolarHBondContact O-N 3.36Å |
| 1124 | A | 88.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1078 C1081 L1082 L1120 I1121 L1126 L1127 Y1128 | A1078-A1124 HydrophobicContact CB-CB 4.26Å; A1078-A1124 WeakPolarHBondContact O-CB 3.39Å; C1081-A1124 HydrophobicContact CB-CB 4.09Å; L1082-A1124 HydrophobicContact CD1-CB 4.46Å; L1082-A1124 HydrophobicContact CD2-CB 3.82Å; L1082-A1124 HydrophobicContact CG-CB 3.78Å; L1120-A1124 WeakPolarHBondContact O-CB 3.22Å; L1120-A1124 PolarHBondContact O-N 3.44Å; I1121-A1124 PolarHBondContact O-N 3.47Å; A1124-L1126 VanDerWaalsContact C-N 3.31Å; A1124-L1126 PolarHBondContact O-N 2.87Å; A1124-L1127 PolarHBondContact O-N 3.46Å; A1124-Y1128 VanDerWaalsContact O-CD2 3.24Å; A1124-Y1128 WeakPolarHBondContact O-CD2 3.18Å; A1124-Y1128 PolarHBondContact O-N 2.97Å |
| 1125 | I | 88.1 | Confident | 83.3 | Confident | 37 Ų | 37 | 46 Ų | 46 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.1 | -66.3 | 160.3 | 0 | 0 | 0 | 110.8 | I1121 S1122 E1123 Y1128 S1129 L1144 | I1121-I1125 HydrophobicContact CG2-CD1 3.89Å; I1121-I1125 WeakPolarHBondContact O-CD1 3.24Å; I1121-I1125 VanDerWaalsContact O-CG1 3.28Å; I1121-I1125 WeakPolarHBondContact O-CG1 3.5Å; I1121-I1125 PolarHBondContact O-N 2.95Å; S1122-I1125 PolarHBondContact O-N 3.27Å; E1123-I1125 VanDerWaalsContact C-N 3.35Å; E1123-I1125 PolarHBondContact O-N 3.08Å; I1125-Y1128 PolarHBondContact O-N 3.44Å; I1125-S1129 WeakPolarHBondContact O-CB 3.44Å; I1125-S1129 PolarHBondContact O-N 3.26Å; I1125-L1144 HydrophobicContact CG1-CD1 4.47Å; I1125-L1144 HydrophobicContact CG1-CD2 3.94Å |
| 1126 | L | 91.2 | Very high | 83.6 | Confident | 100 Ų | 100 | 47 Ų | 47 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | -179.6 | -143.8 | 155 | 0 | 0 | 0 | 110.6 | S1122 E1123 A1124 Y1128 S1129 E1130 | S1122-L1126 PolarHBondContact O-N 3.49Å; S1122-L1126 VanDerWaalsContact O-N 3.12Å; E1123-L1126 WeakPolarHBondContact O-CB 3.43Å; E1123-L1126 PolarHBondContact O-N 3Å; E1123-L1126 VanDerWaalsContact O-N 3.13Å; A1124-L1126 VanDerWaalsContact C-N 3.31Å; A1124-L1126 PolarHBondContact O-N 2.87Å; L1126-Y1128 PolarHBondContact O-N 3.21Å; L1126-S1129 PolarHBondContact O-N 3Å; L1126-S1129 VanDerWaalsContact O-N 3.1Å; L1126-S1129 PolarHBondContact O-OG 3.09Å; L1126-E1130 HydrophobicContact CD2-CG 4.19Å; L1126-E1130 PolarHBondContact O-N 3.27Å |
| 1127 | L | 88.9 | Confident | 84.1 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 175.2 | -72.4 | 170.7 | 0 | 0 | 0 | 112.5 | K1077 A1078 E1123 A1124 S1129 E1130 A1131 | K1077-L1127 HydrophobicContact CB-CD1 4.21Å; K1077-L1127 HydrophobicContact CD-CD1 4.33Å; K1077-L1127 HydrophobicContact CG-CD1 3.93Å; A1078-L1127 HydrophobicContact CB-CB 3.84Å; A1078-L1127 HydrophobicContact CB-CD1 4.28Å; E1123-L1127 HydrophobicContact CG-CD1 4.14Å; E1123-L1127 WeakPolarHBondContact O-CG 3.25Å; E1123-L1127 PolarHBondContact O-N 3.36Å; A1124-L1127 PolarHBondContact O-N 3.46Å; L1127-S1129 VanDerWaalsContact C-N 3.27Å; L1127-S1129 PolarHBondContact O-N 3.19Å; L1127-E1130 PolarHBondContact O-N 3.23Å; L1127-A1131 PolarHBondContact O-N 3.14Å; L1127-A1131 VanDerWaalsContact O-N 3.11Å |
| 1128 | Y | 89.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 175.3 | -75.4 | -45.1 | 0 | 0 | 0 | 112.7 | C1075 A1078 S1079 L1082 A1124 I1125 L1126 I1135 A1140 L1144 L1156 | C1075-Y1128 HydrophobicContact CB-CD1 4.35Å; C1075-Y1128 HydrophobicContact CB-CE1 3.98Å; A1078-Y1128 HydrophobicContact CB-CD1 3.7Å; A1078-Y1128 HydrophobicContact CB-CD2 3.86Å; A1078-Y1128 HydrophobicContact CB-CE1 3.56Å; A1078-Y1128 HydrophobicContact CB-CE2 3.7Å; A1078-Y1128 HydrophobicContact CB-CG 3.87Å; S1079-Y1128 PolarHBondContact OG-OH 3.17Å; L1082-Y1128 HydrophobicContact CD1-CE2 3.94Å; A1124-Y1128 VanDerWaalsContact O-CD2 3.24Å; A1124-Y1128 WeakPolarHBondContact O-CD2 3.18Å; A1124-Y1128 PolarHBondContact O-N 2.97Å; I1125-Y1128 PolarHBondContact O-N 3.44Å; L1126-Y1128 PolarHBondContact O-N 3.21Å; Y1128-I1135 HydrophobicContact CD1-CD1 3.42Å; Y1128-I1135 VanDerWaalsContact CD1-CD1 3.42Å; Y1128-I1135 HydrophobicContact CE1-CD1 4.3Å; Y1128-I1135 HydrophobicContact CG-CD1 3.94Å; Y1128-I1135 WeakPolarHBondContact O-CD1 3.29Å; Y1128-A1140 HydrophobicContact CD1-CB 4.01Å; Y1128-A1140 HydrophobicContact CD2-CB 4.21Å; Y1128-A1140 HydrophobicContact CE1-CB 3.86Å; Y1128-A1140 HydrophobicContact CE2-CB 4.09Å; Y1128-A1140 HydrophobicContact CG-CB 4.17Å; Y1128-L1144 HydrophobicContact CD2-CD1 4.33Å; Y1128-L1156 HydrophobicContact CD2-CD2 4.43Å; Y1128-L1156 HydrophobicContact CG-CD2 4.42Å |
| 1129 | S | 86.9 | Confident | 84.8 | Confident | 44 Ų | 44 | 48 Ų | 48 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.9 | -33.3 | 175.7 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | I1125 L1126 L1127 | I1125-S1129 WeakPolarHBondContact O-CB 3.44Å; I1125-S1129 PolarHBondContact O-N 3.26Å; L1126-S1129 PolarHBondContact O-N 3Å; L1126-S1129 VanDerWaalsContact O-N 3.1Å; L1126-S1129 PolarHBondContact O-OG 3.09Å; L1127-S1129 VanDerWaalsContact C-N 3.27Å; L1127-S1129 PolarHBondContact O-N 3.19Å |
| 1130 | E | 87.6 | Confident | 84.8 | Confident | 118 Ų | 118 | 42 Ų | 42 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -73.8 | -25.2 | 176.8 | -77 | -172.6 | 168.8 | 0 | 0 | 113.3 | M1074 L1126 L1127 G1132 | M1074-E1130 HydrophobicContact CE-CB 4.22Å; M1074-E1130 WeakPolarHBondContact CE-OE2 3.41Å; M1074-E1130 HydrophobicContact SD-CB 4.04Å; L1126-E1130 HydrophobicContact CD2-CG 4.19Å; L1126-E1130 PolarHBondContact O-N 3.27Å; L1127-E1130 PolarHBondContact O-N 3.23Å; E1130-G1132 PolarHBondContact O-N 2.94Å; E1130-G1132 VanDerWaalsContact O-N 3.1Å |
| 1131 | A | 82.1 | Confident | 85 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1071 M1074 L1127 I1135 | E1071-A1131 HydrophobicContact CB-CB 4.49Å; E1071-A1131 WeakPolarHBondContact CG-O 3.43Å; M1074-A1131 HydrophobicContact CB-CB 4.37Å; L1127-A1131 PolarHBondContact O-N 3.14Å; L1127-A1131 VanDerWaalsContact O-N 3.11Å; A1131-I1135 HydrophobicContact CB-CB 4.47Å; A1131-I1135 HydrophobicContact CB-CD1 4.2Å |
| 1132 | G | 77.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | trans | 87.1 | -164.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1130 S1134 I1135 | E1130-G1132 PolarHBondContact O-N 2.94Å; E1130-G1132 VanDerWaalsContact O-N 3.1Å; G1132-S1134 VanDerWaalsContact C-N 3.34Å; G1132-S1134 PolarHBondContact O-N 2.84Å; G1132-I1135 WeakPolarHBondContact O-CG2 3.23Å | ||
| 1133 | P | 79.2 | Confident | 84.8 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -19.2 | -169.8 | 27.6 | -33.7 | 0 | 0 | 0 | 114.9 | I1135 R1164 | P1133-I1135 VanDerWaalsContact C-N 3.3Å; P1133-I1135 PolarHBondContact O-N 3.39Å; P1133-R1164 HydrophobicContact CB-CB 4.45Å; P1133-R1164 HydrophobicContact CB-CG 3.62Å; P1133-R1164 PolarHBondContact O-NE 3.46Å |
| 1134 | S | 76.2 | Confident | 84.6 | Confident | 50 Ų | 50 | 40.2 Ų | 40.2 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.3 | -178.3 | 39.5 | 0 | 0 | 0 | 0 | 114.1 | E1071 G1132 | E1071-S1134 VanDerWaalsContact CD-OG 3.28Å; E1071-S1134 WeakPolarHBondContact OE2-CB 3.42Å; E1071-S1134 PolarHBondContact OE2-OG 3.36Å; G1132-S1134 VanDerWaalsContact C-N 3.34Å; G1132-S1134 PolarHBondContact O-N 2.84Å |
| 1135 | I | 83 | Confident | 84.3 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -58.4 | 139.2 | -179.8 | -170.6 | 166.9 | 0 | 0 | 0 | 112.4 | Y1128 A1131 G1132 P1133 L1137 A1140 V1160 | Y1128-I1135 HydrophobicContact CD1-CD1 3.42Å; Y1128-I1135 VanDerWaalsContact CD1-CD1 3.42Å; Y1128-I1135 HydrophobicContact CE1-CD1 4.3Å; Y1128-I1135 HydrophobicContact CG-CD1 3.94Å; Y1128-I1135 WeakPolarHBondContact O-CD1 3.29Å; A1131-I1135 HydrophobicContact CB-CB 4.47Å; A1131-I1135 HydrophobicContact CB-CD1 4.2Å; G1132-I1135 WeakPolarHBondContact O-CG2 3.23Å; P1133-I1135 VanDerWaalsContact C-N 3.3Å; P1133-I1135 PolarHBondContact O-N 3.39Å; I1135-L1137 VanDerWaalsContact C-N 3.29Å; I1135-L1137 PolarHBondContact O-N 3.47Å; I1135-A1140 HydrophobicContact CD1-CB 4.16Å; I1135-V1160 HydrophobicContact CG2-CG1 4.13Å; I1135-V1160 HydrophobicContact CG2-CG2 3.9Å |
| 1136 | N | 80.4 | Confident | 83.8 | Confident | 100 Ų | 100 | 42.4 Ų | 42.4 | 54% | 0.535 | 23% | 0.233 | S | C | . | . | trans | -71.6 | 87.5 | 167.1 | -173.5 | -21.8 | 0 | 0 | 0 | 109.7 | D1138 N1139 A1140 | N1136-D1138 VanDerWaalsContact C-N 3.29Å; N1136-D1138 PolarHBondContact O-N 3.13Å; N1136-D1138 PolarHBondContact OD1-N 3.49Å; N1136-N1139 PolarHBondContact O-N 3.03Å; N1136-N1139 PolarHBondContact OD1-N 2.7Å; N1136-A1140 PolarHBondContact O-N 3.23Å | ||
| 1137 | L | 86.1 | Confident | 83 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -34.4 | -173.9 | -172.4 | 66.2 | 0 | 0 | 0 | 112.5 | I1135 A1140 V1141 L1156 V1160 A1216 R1219 | I1135-L1137 VanDerWaalsContact C-N 3.29Å; I1135-L1137 PolarHBondContact O-N 3.47Å; L1137-A1140 PolarHBondContact O-N 3.24Å; L1137-V1141 HydrophobicContact CD1-CG2 3.91Å; L1137-V1141 HydrophobicContact CG-CG2 4.09Å; L1137-V1141 VanDerWaalsContact O-CB 3.29Å; L1137-V1141 WeakPolarHBondContact O-CB 3.48Å; L1137-V1141 VanDerWaalsContact O-CG2 3.25Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.45Å; L1137-V1141 PolarHBondContact O-N 3.02Å; L1137-L1156 HydrophobicContact CD1-CD2 4.05Å; L1137-L1156 HydrophobicContact CD1-CG 4.11Å; L1137-V1160 HydrophobicContact CD1-CB 4.31Å; L1137-V1160 HydrophobicContact CD1-CG1 4.48Å; L1137-V1160 HydrophobicContact CD1-CG2 4.14Å; L1137-A1216 HydrophobicContact CD2-CB 3.78Å; L1137-R1219 HydrophobicContact CD2-CB 4.06Å; L1137-R1219 HydrophobicContact CD2-CG 4.35Å; L1137-R1219 HydrophobicContact CG-CB 4.49Å; L1137-R1219 HydrophobicContact CG-CG 4.26Å |
| 1138 | D | 84.7 | Confident | 82.2 | Confident | 80 Ų | 80 | 38.7 Ų | 38.7 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 178.8 | -87.7 | -59.9 | 0 | 0 | 0 | 112 | N1136 H1142 R1219 | N1136-D1138 VanDerWaalsContact C-N 3.29Å; N1136-D1138 PolarHBondContact O-N 3.13Å; N1136-D1138 PolarHBondContact OD1-N 3.49Å; D1138-H1142 VanDerWaalsContact O-CB 3.31Å; D1138-H1142 WeakPolarHBondContact O-CB 3.39Å; D1138-H1142 PolarHBondContact O-N 3.23Å; D1138-R1219 WeakPolarHBondContact OD1-CD 3.44Å; D1138-R1219 IonicContact OD1-CZ 3.79Å; D1138-R1219 IonicContact OD1-NE 2.93Å; D1138-R1219 IonicContact OD1-NH1 3.31Å; D1138-R1219 PolarHBondContact OD1-NH1 2.96Å |
| 1139 | N | 82 | Confident | 81.9 | Confident | 73 Ų | 73 | 39 Ų | 39 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.8 | -41.5 | -179.2 | -111.4 | 1.7 | 0 | 0 | 0 | 111.9 | N1136 H1142 R1143 | N1136-N1139 PolarHBondContact O-N 3.03Å; N1136-N1139 PolarHBondContact OD1-N 2.7Å; N1139-H1142 PolarHBondContact O-N 2.86Å; N1139-R1143 WeakPolarHBondContact O-CG 3.38Å; N1139-R1143 PolarHBondContact O-N 3.18Å |
| 1140 | A | 86 | Confident | 81.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1128 I1135 N1136 L1137 R1143 L1144 L1156 | Y1128-A1140 HydrophobicContact CD1-CB 4.01Å; Y1128-A1140 HydrophobicContact CD2-CB 4.21Å; Y1128-A1140 HydrophobicContact CE1-CB 3.86Å; Y1128-A1140 HydrophobicContact CE2-CB 4.09Å; Y1128-A1140 HydrophobicContact CG-CB 4.17Å; I1135-A1140 HydrophobicContact CD1-CB 4.16Å; N1136-A1140 PolarHBondContact O-N 3.23Å; L1137-A1140 PolarHBondContact O-N 3.24Å; A1140-R1143 PolarHBondContact O-N 2.86Å; A1140-L1144 WeakPolarHBondContact O-CG 3.39Å; A1140-L1144 PolarHBondContact O-N 2.95Å; A1140-L1144 VanDerWaalsContact O-N 3.08Å; A1140-L1156 HydrophobicContact CB-CD2 3.98Å |
| 1141 | V | 87.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | L1137 R1143 L1144 E1145 A1153 L1156 C1157 R1219 C1223 | L1137-V1141 HydrophobicContact CD1-CG2 3.91Å; L1137-V1141 HydrophobicContact CG-CG2 4.09Å; L1137-V1141 VanDerWaalsContact O-CB 3.29Å; L1137-V1141 WeakPolarHBondContact O-CB 3.48Å; L1137-V1141 VanDerWaalsContact O-CG2 3.25Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.45Å; L1137-V1141 PolarHBondContact O-N 3.02Å; V1141-R1143 VanDerWaalsContact C-N 3.34Å; V1141-R1143 PolarHBondContact O-N 3.46Å; V1141-L1144 PolarHBondContact O-N 2.99Å; V1141-E1145 HydrophobicContact CG1-CG 4.2Å; V1141-E1145 WeakPolarHBondContact CG1-OE1 3.39Å; V1141-E1145 VanDerWaalsContact O-CG 3.3Å; V1141-E1145 WeakPolarHBondContact O-CG 3.31Å; V1141-E1145 PolarHBondContact O-N 3.48Å; V1141-A1153 HydrophobicContact CG1-CB 4.09Å; V1141-L1156 HydrophobicContact CG2-CD2 4.45Å; V1141-C1157 VanDerWaalsContact CG2-SG 3.58Å; V1141-R1219 HydrophobicContact CB-CG 4.08Å; V1141-R1219 HydrophobicContact CG1-CG 4.06Å; V1141-R1219 HydrophobicContact CG2-CG 3.96Å; V1141-C1223 HydrophobicContact CG1-CB 4.46Å |
| 1142 | H | 85.5 | Confident | 81.7 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.8 | -44 | 177.9 | -169.8 | -20.4 | 0 | 0 | 0 | 111.9 | D1138 N1139 L1144 E1145 S1146 | D1138-H1142 VanDerWaalsContact O-CB 3.31Å; D1138-H1142 WeakPolarHBondContact O-CB 3.39Å; D1138-H1142 PolarHBondContact O-N 3.23Å; N1139-H1142 PolarHBondContact O-N 2.86Å; H1142-L1144 VanDerWaalsContact C-N 3.34Å; H1142-L1144 PolarHBondContact O-N 3.2Å; H1142-E1145 WeakPolarHBondContact O-CB 3.02Å; H1142-E1145 PolarHBondContact O-N 3.19Å; H1142-S1146 PolarHBondContact ND1-OG 3.4Å; H1142-S1146 PolarHBondContact O-N 2.57Å; H1142-S1146 PolarHBondContact O-OG 3.4Å |
| 1143 | R | 80.8 | Confident | 82.2 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 18% | 0.177 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 177.5 | -71.9 | -177.1 | 178.7 | -142.7 | -3.8 | 112 | E1024 S1079 L1082 N1139 A1140 V1141 S1146 C1147 | E1024-R1143 IonicContact OE1-CZ 3.89Å; E1024-R1143 IonicContact OE1-NH2 3.96Å; E1024-R1143 PolarHBondContact OE1-NH2 2.96Å; S1079-R1143 PolarHBondContact OG-NH1 3.1Å; L1082-R1143 HydrophobicContact CD1-CB 3.94Å; N1139-R1143 WeakPolarHBondContact O-CG 3.38Å; N1139-R1143 PolarHBondContact O-N 3.18Å; A1140-R1143 PolarHBondContact O-N 2.86Å; V1141-R1143 VanDerWaalsContact C-N 3.34Å; V1141-R1143 PolarHBondContact O-N 3.46Å; R1143-S1146 PolarHBondContact O-N 3.07Å; R1143-C1147 PolarHBondContact O-N 3.37Å; R1143-C1147 PolarHBondContact O-SG 3.04Å |
| 1144 | L | 84.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 173.9 | -73.8 | 166.3 | 0 | 0 | 0 | 112.3 | L1082 I1125 Y1128 A1140 V1141 H1142 C1147 G1148 A1149 A1153 L1156 | L1082-L1144 HydrophobicContact CD1-CD2 3.94Å; L1082-L1144 HydrophobicContact CD1-CG 4.13Å; L1082-L1144 HydrophobicContact CD2-CD2 3.8Å; L1082-L1144 HydrophobicContact CG-CD2 4.5Å; I1125-L1144 HydrophobicContact CG1-CD1 4.47Å; I1125-L1144 HydrophobicContact CG1-CD2 3.94Å; Y1128-L1144 HydrophobicContact CD2-CD1 4.33Å; A1140-L1144 WeakPolarHBondContact O-CG 3.39Å; A1140-L1144 PolarHBondContact O-N 2.95Å; A1140-L1144 VanDerWaalsContact O-N 3.08Å; V1141-L1144 PolarHBondContact O-N 2.99Å; H1142-L1144 VanDerWaalsContact C-N 3.34Å; H1142-L1144 PolarHBondContact O-N 3.2Å; L1144-C1147 PolarHBondContact O-N 2.79Å; L1144-G1148 PolarHBondContact O-N 2.97Å; L1144-A1149 HydrophobicContact CB-CB 4.37Å; L1144-A1149 HydrophobicContact CD2-CB 3.94Å; L1144-A1149 PolarHBondContact O-N 3.29Å; L1144-A1153 HydrophobicContact CB-CB 4.07Å; L1144-A1153 HydrophobicContact CD1-CB 4.36Å; L1144-L1156 HydrophobicContact CD1-CD2 3.97Å |
| 1145 | E | 83.2 | Confident | 83.2 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 174.7 | -71.7 | 175.6 | -164.2 | 0 | 0 | 110.8 | V1141 H1142 C1147 G1148 W1150 R1219 C1223 H1226 | V1141-E1145 HydrophobicContact CG1-CG 4.2Å; V1141-E1145 WeakPolarHBondContact CG1-OE1 3.39Å; V1141-E1145 VanDerWaalsContact O-CG 3.3Å; V1141-E1145 WeakPolarHBondContact O-CG 3.31Å; V1141-E1145 PolarHBondContact O-N 3.48Å; H1142-E1145 WeakPolarHBondContact O-CB 3.02Å; H1142-E1145 PolarHBondContact O-N 3.19Å; E1145-C1147 VanDerWaalsContact C-N 3.25Å; E1145-C1147 PolarHBondContact O-N 3.38Å; E1145-G1148 PolarHBondContact O-N 3.33Å; E1145-W1150 HydrophobicContact CB-CE3 4.49Å; E1145-W1150 HydrophobicContact CB-CH2 4.06Å; E1145-W1150 HydrophobicContact CB-CZ2 4.47Å; E1145-W1150 HydrophobicContact CB-CZ3 4.08Å; E1145-W1150 HydrophobicContact CG-CE3 3.87Å; E1145-W1150 HydrophobicContact CG-CH2 4.05Å; E1145-W1150 HydrophobicContact CG-CZ3 3.56Å; E1145-R1219 IonicContact OE1-NH2 3.02Å; E1145-R1219 PolarHBondContact OE1-NH2 3.4Å; E1145-R1219 VanDerWaalsContact OE1-NH2 3.09Å; E1145-R1219 IonicContact OE2-NH2 2.83Å; E1145-C1223 WeakPolarHBondContact OE1-CB 3.3Å; E1145-C1223 PolarHBondContact OE1-SG 3.33Å; E1145-H1226 IonicContact OE1-ND1 3.15Å; E1145-H1226 IonicContact OE2-CE1 3.25Å; E1145-H1226 IonicContact OE2-ND1 2.67Å; E1145-H1226 PolarHBondContact OE2-ND1 3.03Å |
| 1146 | S | 77.8 | Confident | 83.6 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 46% | 0.462 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.9 | -26.8 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | H1142 R1143 | H1142-S1146 PolarHBondContact ND1-OG 3.4Å; H1142-S1146 PolarHBondContact O-N 2.57Å; H1142-S1146 PolarHBondContact O-OG 3.4Å; R1143-S1146 PolarHBondContact O-N 3.07Å |
| 1147 | C | 73 | Confident | 84.1 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.4 | 173.8 | -68.2 | 0 | 0 | 0 | 0 | 113.6 | L1082 R1089 R1143 L1144 E1145 A1149 | L1082-C1147 HydrophobicContact CD2-CB 4.33Å; L1082-C1147 PolarHBondContact O-SG 3.47Å; R1089-C1147 PolarHBondContact NH1-O 3.24Å; R1143-C1147 PolarHBondContact O-N 3.37Å; R1143-C1147 PolarHBondContact O-SG 3.04Å; L1144-C1147 PolarHBondContact O-N 2.79Å; E1145-C1147 VanDerWaalsContact C-N 3.25Å; E1145-C1147 PolarHBondContact O-N 3.38Å; C1147-A1149 VanDerWaalsContact C-N 3.34Å |
| 1148 | G | 73.4 | Confident | 84.3 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 9.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1144 E1145 W1150 | L1144-G1148 PolarHBondContact O-N 2.97Å; E1145-G1148 PolarHBondContact O-N 3.33Å; G1148-W1150 VanDerWaalsContact C-N 3.27Å; G1148-W1150 VanDerWaalsContact O-CD1 3.26Å; G1148-W1150 PolarHBondContact O-N 3.35Å; G1148-W1150 VanDerWaalsContact O-N 3.08Å |
| 1149 | A | 82.5 | Confident | 84.5 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | trans | -86.6 | 47.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1121 L1144 C1147 R1151 G1152 A1153 | I1121-A1149 HydrophobicContact CG2-CB 3.66Å; L1144-A1149 HydrophobicContact CB-CB 4.37Å; L1144-A1149 HydrophobicContact CD2-CB 3.94Å; L1144-A1149 PolarHBondContact O-N 3.29Å; C1147-A1149 VanDerWaalsContact C-N 3.34Å; A1149-R1151 PolarHBondContact O-N 3.12Å; A1149-G1152 WeakPolarHBondContact O-CA 3.3Å; A1149-G1152 PolarHBondContact O-N 3.46Å; A1149-A1153 PolarHBondContact O-N 3.39Å | ||
| 1150 | W | 84.3 | Confident | 84.8 | Confident | 33 Ų | 33 | 30.9 Ų | 30.9 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.5 | -44.3 | -174.3 | -61.1 | 95.7 | 0 | 0 | 0 | 114.3 | E1145 G1148 G1152 A1153 V1154 H1226 L1227 I1296 I1300 | E1145-W1150 HydrophobicContact CB-CE3 4.49Å; E1145-W1150 HydrophobicContact CB-CH2 4.06Å; E1145-W1150 HydrophobicContact CB-CZ2 4.47Å; E1145-W1150 HydrophobicContact CB-CZ3 4.08Å; E1145-W1150 HydrophobicContact CG-CE3 3.87Å; E1145-W1150 HydrophobicContact CG-CH2 4.05Å; E1145-W1150 HydrophobicContact CG-CZ3 3.56Å; G1148-W1150 VanDerWaalsContact C-N 3.27Å; G1148-W1150 VanDerWaalsContact O-CD1 3.26Å; G1148-W1150 PolarHBondContact O-N 3.35Å; G1148-W1150 VanDerWaalsContact O-N 3.08Å; W1150-G1152 VanDerWaalsContact C-N 3.26Å; W1150-G1152 PolarHBondContact O-N 3.13Å; W1150-A1153 PolarHBondContact O-N 2.96Å; W1150-V1154 PolarHBondContact O-N 3.38Å; W1150-V1154 VanDerWaalsContact O-N 3.16Å; W1150-H1226 HydrophobicContact CH2-CB 3.93Å; W1150-H1226 HydrophobicContact CZ3-CB 3.86Å; W1150-L1227 HydrophobicContact CB-CD1 4.14Å; W1150-L1227 HydrophobicContact CD2-CD1 4.15Å; W1150-L1227 HydrophobicContact CD2-CD2 3.6Å; W1150-L1227 HydrophobicContact CD2-CG 3.83Å; W1150-L1227 HydrophobicContact CE3-CD1 3.87Å; W1150-L1227 HydrophobicContact CE3-CD2 3.84Å; W1150-L1227 HydrophobicContact CE3-CG 3.53Å; W1150-L1227 HydrophobicContact CG-CD1 4.28Å; W1150-L1227 HydrophobicContact CG-CD2 3.9Å; W1150-L1227 HydrophobicContact CG-CG 4.35Å; W1150-L1227 HydrophobicContact CZ2-CD2 4.35Å; W1150-L1227 HydrophobicContact CZ3-CD2 4.32Å; W1150-L1227 HydrophobicContact CZ3-CG 3.92Å; W1150-I1296 HydrophobicContact CB-CG2 4.18Å; W1150-I1300 HydrophobicContact CB-CD1 4.07Å |
| 1151 | R | 85.4 | Confident | 84.9 | Confident | 114 Ų | 114 | 30.8 Ų | 30.8 | 43% | 0.43 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64 | -34.3 | 177.9 | -170.4 | 179.7 | 179 | -132.3 | 3.2 | 111.8 | A1149 K1155 I1300 D1303 | A1149-R1151 PolarHBondContact O-N 3.12Å; R1151-K1155 PolarHBondContact O-N 3.25Å; R1151-I1300 HydrophobicContact CB-CG1 4.46Å; R1151-D1303 IonicContact CZ-OD2 3.42Å; R1151-D1303 IonicContact NE-OD2 3.89Å; R1151-D1303 PolarHBondContact NE-OD2 3.02Å; R1151-D1303 IonicContact NH2-OD1 2.75Å; R1151-D1303 IonicContact NH2-OD2 3.51Å; R1151-D1303 PolarHBondContact NH2-OD2 2.97Å |
| 1152 | G | 83.4 | Confident | 84.9 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1149 W1150 V1154 K1155 L1156 | A1149-G1152 WeakPolarHBondContact O-CA 3.3Å; A1149-G1152 PolarHBondContact O-N 3.46Å; W1150-G1152 VanDerWaalsContact C-N 3.26Å; W1150-G1152 PolarHBondContact O-N 3.13Å; G1152-V1154 PolarHBondContact O-N 2.92Å; G1152-K1155 PolarHBondContact O-N 3.48Å; G1152-L1156 PolarHBondContact O-N 3.09Å |
| 1153 | A | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1141 L1144 A1149 W1150 L1156 C1157 | V1141-A1153 HydrophobicContact CG1-CB 4.09Å; L1144-A1153 HydrophobicContact CB-CB 4.07Å; L1144-A1153 HydrophobicContact CD1-CB 4.36Å; A1149-A1153 PolarHBondContact O-N 3.39Å; W1150-A1153 PolarHBondContact O-N 2.96Å; A1153-L1156 WeakPolarHBondContact O-CB 3.5Å; A1153-L1156 PolarHBondContact O-N 3.24Å; A1153-C1157 PolarHBondContact O-N 3.15Å; A1153-C1157 PolarHBondContact O-SG 3.22Å; A1153-C1157 VanDerWaalsContact O-SG 3.39Å |
| 1154 | V | 88.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | W1150 G1152 L1156 C1157 L1158 M1220 I1300 I1304 | W1150-V1154 PolarHBondContact O-N 3.38Å; W1150-V1154 VanDerWaalsContact O-N 3.16Å; G1152-V1154 PolarHBondContact O-N 2.92Å; V1154-L1156 VanDerWaalsContact C-N 3.32Å; V1154-L1156 PolarHBondContact O-N 3.37Å; V1154-C1157 PolarHBondContact O-N 3.11Å; V1154-L1158 HydrophobicContact CG1-CD1 4.4Å; V1154-L1158 WeakPolarHBondContact O-CG 3.4Å; V1154-L1158 PolarHBondContact O-N 3Å; V1154-L1158 VanDerWaalsContact O-N 3.09Å; V1154-M1220 HydrophobicContact CG1-CG 4.04Å; V1154-M1220 HydrophobicContact CG1-SD 4.01Å; V1154-M1220 HydrophobicContact CG2-CG 4.46Å; V1154-I1300 HydrophobicContact CB-CG2 4.22Å; V1154-I1300 HydrophobicContact CG1-CG2 3.97Å; V1154-I1300 HydrophobicContact CG2-CD1 4.45Å; V1154-I1300 HydrophobicContact CG2-CG2 3.93Å; V1154-I1304 HydrophobicContact CG1-CD1 4.02Å; V1154-I1304 HydrophobicContact CG1-CG1 4.17Å |
| 1155 | K | 88.1 | Confident | 85.4 | Confident | 110 Ų | 110 | 31.9 Ų | 31.9 | 48% | 0.478 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 173.9 | -82.3 | -175.2 | 176 | -176.4 | 0 | 112.3 | R1151 G1152 L1158 S1159 | R1151-K1155 PolarHBondContact O-N 3.25Å; G1152-K1155 PolarHBondContact O-N 3.48Å; K1155-L1158 PolarHBondContact O-N 3.09Å; K1155-S1159 WeakPolarHBondContact O-CB 3.42Å; K1155-S1159 PolarHBondContact O-N 3.42Å |
| 1156 | L | 89.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 175.4 | -177.8 | 70.8 | 0 | 0 | 0 | 110.8 | Y1128 L1137 A1140 V1141 L1144 G1152 A1153 V1154 L1158 S1159 V1160 | Y1128-L1156 HydrophobicContact CD2-CD2 4.43Å; Y1128-L1156 HydrophobicContact CG-CD2 4.42Å; L1137-L1156 HydrophobicContact CD1-CD2 4.05Å; L1137-L1156 HydrophobicContact CD1-CG 4.11Å; A1140-L1156 HydrophobicContact CB-CD2 3.98Å; V1141-L1156 HydrophobicContact CG2-CD2 4.45Å; L1144-L1156 HydrophobicContact CD1-CD2 3.97Å; G1152-L1156 PolarHBondContact O-N 3.09Å; A1153-L1156 WeakPolarHBondContact O-CB 3.5Å; A1153-L1156 PolarHBondContact O-N 3.24Å; V1154-L1156 VanDerWaalsContact C-N 3.32Å; V1154-L1156 PolarHBondContact O-N 3.37Å; L1156-L1158 VanDerWaalsContact C-N 3.32Å; L1156-L1158 PolarHBondContact O-N 3.05Å; L1156-S1159 PolarHBondContact O-N 3.39Å; L1156-S1159 VanDerWaalsContact O-N 3.15Å; L1156-V1160 HydrophobicContact CD1-CG2 4.19Å; L1156-V1160 HydrophobicContact CG-CG2 4.31Å; L1156-V1160 WeakPolarHBondContact O-CG2 3.36Å; L1156-V1160 PolarHBondContact O-N 3.03Å |
| 1157 | C | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 177.5 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | V1141 A1153 V1154 V1160 A1161 M1220 | V1141-C1157 VanDerWaalsContact CG2-SG 3.58Å; A1153-C1157 PolarHBondContact O-N 3.15Å; A1153-C1157 PolarHBondContact O-SG 3.22Å; A1153-C1157 VanDerWaalsContact O-SG 3.39Å; V1154-C1157 PolarHBondContact O-N 3.11Å; C1157-V1160 PolarHBondContact O-N 2.91Å; C1157-A1161 VanDerWaalsContact O-CB 3.3Å; C1157-A1161 WeakPolarHBondContact O-CB 3.5Å; C1157-A1161 PolarHBondContact O-N 3.28Å; C1157-M1220 HydrophobicContact CB-CB 3.89Å |
| 1158 | L | 89.7 | Confident | 86.1 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 177.5 | -69.6 | 172.5 | 0 | 0 | 0 | 112.6 | V1154 K1155 L1156 R1162 Y1217 M1220 I1304 A1312 | V1154-L1158 HydrophobicContact CG1-CD1 4.4Å; V1154-L1158 WeakPolarHBondContact O-CG 3.4Å; V1154-L1158 PolarHBondContact O-N 3Å; V1154-L1158 VanDerWaalsContact O-N 3.09Å; K1155-L1158 PolarHBondContact O-N 3.09Å; L1156-L1158 VanDerWaalsContact C-N 3.32Å; L1156-L1158 PolarHBondContact O-N 3.05Å; L1158-R1162 PolarHBondContact O-N 3.46Å; L1158-Y1217 HydrophobicContact CD2-CE1 4.19Å; L1158-M1220 HydrophobicContact CD2-SD 3.94Å; L1158-M1220 HydrophobicContact CG-SD 4.21Å; L1158-I1304 HydrophobicContact CD1-CG1 4.43Å; L1158-A1312 HydrophobicContact CD2-CB 3.63Å |
| 1159 | S | 89.2 | Confident | 86.7 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 176.1 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | K1155 L1156 A1161 R1162 S1163 | K1155-S1159 WeakPolarHBondContact O-CB 3.42Å; K1155-S1159 PolarHBondContact O-N 3.42Å; L1156-S1159 PolarHBondContact O-N 3.39Å; L1156-S1159 VanDerWaalsContact O-N 3.15Å; S1159-A1161 PolarHBondContact O-N 3.32Å; S1159-R1162 PolarHBondContact O-N 3.45Å; S1159-S1163 PolarHBondContact O-N 3.07Å |
| 1160 | V | 88.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.5 | -35.7 | 179.5 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | I1135 L1137 L1156 C1157 R1162 S1163 R1164 | I1135-V1160 HydrophobicContact CG2-CG1 4.13Å; I1135-V1160 HydrophobicContact CG2-CG2 3.9Å; L1137-V1160 HydrophobicContact CD1-CB 4.31Å; L1137-V1160 HydrophobicContact CD1-CG1 4.48Å; L1137-V1160 HydrophobicContact CD1-CG2 4.14Å; L1156-V1160 HydrophobicContact CD1-CG2 4.19Å; L1156-V1160 HydrophobicContact CG-CG2 4.31Å; L1156-V1160 WeakPolarHBondContact O-CG2 3.36Å; L1156-V1160 PolarHBondContact O-N 3.03Å; C1157-V1160 PolarHBondContact O-N 2.91Å; V1160-R1162 VanDerWaalsContact C-N 3.3Å; V1160-R1162 PolarHBondContact O-N 3.25Å; V1160-S1163 WeakPolarHBondContact CA-OG 3.3Å; V1160-S1163 PolarHBondContact O-N 3.26Å; V1160-S1163 PolarHBondContact O-OG 3.18Å; V1160-R1164 HydrophobicContact CG1-CG 4.27Å; V1160-R1164 WeakPolarHBondContact O-CG 3.22Å; V1160-R1164 PolarHBondContact O-N 3.35Å |
| 1161 | A | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1157 S1159 D1165 R1213 A1216 Y1217 | C1157-A1161 VanDerWaalsContact O-CB 3.3Å; C1157-A1161 WeakPolarHBondContact O-CB 3.5Å; C1157-A1161 PolarHBondContact O-N 3.28Å; S1159-A1161 PolarHBondContact O-N 3.32Å; A1161-D1165 PolarHBondContact O-N 3.13Å; A1161-R1213 HydrophobicContact CB-CG 4.08Å; A1161-A1216 HydrophobicContact CB-CB 3.81Å; A1161-Y1217 HydrophobicContact CB-CD1 4.2Å; A1161-Y1217 HydrophobicContact CB-CE1 3.6Å |
| 1162 | R | 87.8 | Confident | 86.8 | Confident | 120 Ų | 120 | 35.2 Ų | 35.2 | 45% | 0.453 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.8 | -34.6 | 176.4 | -72 | -178.9 | 176.9 | -175.1 | -4.3 | 112.9 | L1158 S1159 V1160 D1165 | L1158-R1162 PolarHBondContact O-N 3.46Å; S1159-R1162 PolarHBondContact O-N 3.45Å; V1160-R1162 VanDerWaalsContact C-N 3.3Å; V1160-R1162 PolarHBondContact O-N 3.25Å; R1162-D1165 CarbonylContact O-C 3.59Å; R1162-D1165 VanDerWaalsContact O-C 3.32Å |
| 1163 | S | 86.1 | Confident | 86.8 | Confident | 43 Ų | 43 | 35.2 Ų | 35.2 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.7 | -28.3 | 178.5 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | S1159 V1160 | S1159-S1163 PolarHBondContact O-N 3.07Å; V1160-S1163 WeakPolarHBondContact CA-OG 3.3Å; V1160-S1163 PolarHBondContact O-N 3.26Å; V1160-S1163 PolarHBondContact O-OG 3.18Å |
| 1164 | R | 87 | Confident | 86.5 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75 | -26.8 | 174.5 | -73.1 | 179.7 | 175.7 | -176 | -1.5 | 113.5 | P1133 V1160 G1212 D1215 | P1133-R1164 HydrophobicContact CB-CB 4.45Å; P1133-R1164 HydrophobicContact CB-CG 3.62Å; P1133-R1164 PolarHBondContact O-NE 3.46Å; V1160-R1164 HydrophobicContact CG1-CG 4.27Å; V1160-R1164 WeakPolarHBondContact O-CG 3.22Å; V1160-R1164 PolarHBondContact O-N 3.35Å; R1164-G1212 WeakPolarHBondContact CD-O 3.48Å; R1164-G1212 PolarHBondContact NH1-O 3.2Å; R1164-G1212 VanDerWaalsContact NH1-O 3.13Å; R1164-D1215 IonicContact CZ-OD2 2.74Å; R1164-D1215 IonicContact NH1-OD2 2.7Å; R1164-D1215 PolarHBondContact NH1-OD2 3.33Å; R1164-D1215 IonicContact NH2-OD2 3.74Å |
| 1165 | D | 87.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | -127.6 | 70.8 | 174.5 | -178.1 | 20.8 | 0 | 0 | 0 | 112 | A1161 R1162 S1167 D1168 I1169 A1170 R1213 | A1161-D1165 PolarHBondContact O-N 3.13Å; R1162-D1165 CarbonylContact O-C 3.59Å; R1162-D1165 VanDerWaalsContact O-C 3.32Å; D1165-S1167 PolarHBondContact O-N 2.89Å; D1165-D1168 PolarHBondContact O-N 2.91Å; D1165-D1168 PolarHBondContact OD1-N 3.17Å; D1165-D1168 WeakPolarHBondContact OD2-CA 3.48Å; D1165-I1169 PolarHBondContact OD1-N 2.96Å; D1165-I1169 PolarHBondContact OD2-N 3.43Å; D1165-I1169 VanDerWaalsContact OD2-N 3.1Å; D1165-A1170 WeakPolarHBondContact OD2-CB 3.11Å; D1165-A1170 PolarHBondContact OD2-N 3.16Å; D1165-R1213 HydrophobicContact CB-CB 4.24Å; D1165-R1213 HydrophobicContact CB-CG 4.43Å; D1165-R1213 IonicContact OD2-CZ 3.15Å; D1165-R1213 IonicContact OD2-NH1 2.8Å; D1165-R1213 PolarHBondContact OD2-NH1 3.12Å | ||
| 1166 | P | 81.5 | Confident | 85.8 | Confident | 98 Ų | 98 | 47.3 Ų | 47.3 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.2 | -175.1 | 26.5 | -33 | 0 | 0 | 0 | 113.6 | ||
| 1167 | S | 81.8 | Confident | 85 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 5.7 | 179.5 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | D1165 I1169 | D1165-S1167 PolarHBondContact O-N 2.89Å; S1167-I1169 PolarHBondContact O-N 3.01Å |
| 1168 | D | 86 | Confident | 84.5 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | trans | 52.2 | 37 | -177.5 | -82.4 | -27.9 | 0 | 0 | 0 | 113.3 | D1165 A1170 V1171 D1172 R1213 | D1165-D1168 PolarHBondContact O-N 2.91Å; D1165-D1168 PolarHBondContact OD1-N 3.17Å; D1165-D1168 WeakPolarHBondContact OD2-CA 3.48Å; D1168-A1170 VanDerWaalsContact C-N 3.25Å; D1168-A1170 PolarHBondContact O-N 3.03Å; D1168-V1171 HydrophobicContact CB-CB 4.14Å; D1168-V1171 HydrophobicContact CB-CG2 4.16Å; D1168-V1171 WeakPolarHBondContact O-CB 3.48Å; D1168-V1171 PolarHBondContact O-N 3.4Å; D1168-V1171 VanDerWaalsContact O-N 3.1Å; D1168-D1172 PolarHBondContact O-N 3.41Å; D1168-R1213 IonicContact OD1-CZ 2.85Å; D1168-R1213 IonicContact OD1-NH1 2.76Å; D1168-R1213 PolarHBondContact OD1-NH1 3.02Å; D1168-R1213 IonicContact OD1-NH2 3.84Å; D1168-R1213 PolarHBondContact OD1-NH2 3.3Å; D1168-R1213 VanDerWaalsContact OD1-NH2 3.07Å | ||
| 1169 | I | 84.8 | Confident | 83.9 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -179.2 | -58.1 | 174.1 | 0 | 0 | 0 | 110 | D1165 S1167 V1171 D1172 C1173 L1185 E1206 A1209 T1210 | D1165-I1169 PolarHBondContact OD1-N 2.96Å; D1165-I1169 PolarHBondContact OD2-N 3.43Å; D1165-I1169 VanDerWaalsContact OD2-N 3.1Å; S1167-I1169 PolarHBondContact O-N 3.01Å; I1169-V1171 VanDerWaalsContact C-N 3.31Å; I1169-V1171 PolarHBondContact O-N 3.45Å; I1169-D1172 PolarHBondContact O-N 3Å; I1169-C1173 WeakPolarHBondContact O-CB 3.44Å; I1169-C1173 PolarHBondContact O-N 3.08Å; I1169-C1173 PolarHBondContact O-SG 3.46Å; I1169-L1185 HydrophobicContact CD1-CD1 3.79Å; I1169-L1185 HydrophobicContact CD1-CD2 4.38Å; I1169-E1206 HydrophobicContact CG2-CB 3.86Å; I1169-E1206 HydrophobicContact CG2-CG 3.91Å; I1169-A1209 HydrophobicContact CD1-CB 4.05Å; I1169-T1210 HydrophobicContact CG2-CG2 4.42Å |
| 1170 | A | 84.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1165 D1168 L1174 T1210 L1311 | D1165-A1170 WeakPolarHBondContact OD2-CB 3.11Å; D1165-A1170 PolarHBondContact OD2-N 3.16Å; D1168-A1170 VanDerWaalsContact C-N 3.25Å; D1168-A1170 PolarHBondContact O-N 3.03Å; A1170-L1174 WeakPolarHBondContact O-CB 3.48Å; A1170-L1174 PolarHBondContact O-N 3.2Å; A1170-T1210 HydrophobicContact CB-CG2 3.76Å; A1170-L1311 HydrophobicContact CB-CD1 3.47Å; A1170-L1311 VanDerWaalsContact CB-CD1 3.47Å |
| 1171 | V | 85.8 | Confident | 83 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 178.3 | -178 | 0 | 0 | 0 | 0 | 110.4 | D1168 I1169 L1174 K1175 I1310 L1311 | D1168-V1171 HydrophobicContact CB-CB 4.14Å; D1168-V1171 HydrophobicContact CB-CG2 4.16Å; D1168-V1171 WeakPolarHBondContact O-CB 3.48Å; D1168-V1171 PolarHBondContact O-N 3.4Å; D1168-V1171 VanDerWaalsContact O-N 3.1Å; I1169-V1171 VanDerWaalsContact C-N 3.31Å; I1169-V1171 PolarHBondContact O-N 3.45Å; V1171-L1174 PolarHBondContact O-N 3.03Å; V1171-K1175 HydrophobicContact CG1-CD 4.15Å; V1171-K1175 WeakPolarHBondContact O-CB 3.46Å; V1171-K1175 WeakPolarHBondContact O-CG 3.38Å; V1171-K1175 PolarHBondContact O-N 3.16Å; V1171-I1310 HydrophobicContact CG1-CD1 4.45Å; V1171-L1311 HydrophobicContact CG2-CD1 3.62Å; V1171-L1311 HydrophobicContact CG2-CG 3.99Å |
| 1172 | D | 84 | Confident | 82.4 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 177.3 | -169.3 | 56.1 | 0 | 0 | 0 | 111.9 | D1168 I1169 L1174 K1175 R1176 | D1168-D1172 PolarHBondContact O-N 3.41Å; I1169-D1172 PolarHBondContact O-N 3Å; D1172-L1174 VanDerWaalsContact C-N 3.33Å; D1172-L1174 PolarHBondContact O-N 3.39Å; D1172-K1175 PolarHBondContact O-N 3.43Å; D1172-R1176 VanDerWaalsContact CG-CZ 3.41Å; D1172-R1176 VanDerWaalsContact CG-NE 3.27Å; D1172-R1176 VanDerWaalsContact CG-NH2 3.3Å; D1172-R1176 WeakPolarHBondContact O-CB 3.41Å; D1172-R1176 WeakPolarHBondContact O-CG 3.47Å; D1172-R1176 PolarHBondContact O-N 3.1Å; D1172-R1176 IonicContact OD1-CZ 2.74Å; D1172-R1176 IonicContact OD1-NE 2.95Å; D1172-R1176 PolarHBondContact OD1-NE 3.01Å; D1172-R1176 IonicContact OD1-NH2 3.43Å; D1172-R1176 PolarHBondContact OD1-NH2 3.2Å; D1172-R1176 IonicContact OD2-CZ 2.83Å; D1172-R1176 IonicContact OD2-NE 3.01Å; D1172-R1176 PolarHBondContact OD2-NE 3.35Å; D1172-R1176 IonicContact OD2-NH1 3.6Å; D1172-R1176 PolarHBondContact OD2-NH1 2.84Å; D1172-R1176 IonicContact OD2-NH2 3.75Å; D1172-R1176 PolarHBondContact OD2-NH2 3.49Å; D1172-R1176 VanDerWaalsContact OD2-NH2 3.07Å |
| 1173 | C | 83.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 173.9 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | I1169 G1177 R1178 | I1169-C1173 WeakPolarHBondContact O-CB 3.44Å; I1169-C1173 PolarHBondContact O-N 3.08Å; I1169-C1173 PolarHBondContact O-SG 3.46Å; C1173-G1177 WeakPolarHBondContact O-CA 3.41Å; C1173-G1177 PolarHBondContact O-N 3.06Å; C1173-R1178 PolarHBondContact O-N 2.93Å; C1173-R1178 VanDerWaalsContact O-N 3.07Å |
| 1174 | L | 81.8 | Confident | 80.6 | Confident | 46 Ų | 46 | 71 Ų | 71 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.9 | -180 | 70.8 | 0 | 0 | 0 | 112 | A1170 V1171 D1172 R1176 G1177 L1311 F1314 | A1170-L1174 WeakPolarHBondContact O-CB 3.48Å; A1170-L1174 PolarHBondContact O-N 3.2Å; V1171-L1174 PolarHBondContact O-N 3.03Å; D1172-L1174 VanDerWaalsContact C-N 3.33Å; D1172-L1174 PolarHBondContact O-N 3.39Å; L1174-R1176 VanDerWaalsContact C-N 3.34Å; L1174-R1176 PolarHBondContact O-N 3.42Å; L1174-G1177 PolarHBondContact O-N 3.35Å; L1174-L1311 HydrophobicContact CB-CD2 4.43Å; L1174-L1311 HydrophobicContact CD2-CD2 3.58Å; L1174-F1314 HydrophobicContact CD1-CD2 4.49Å; L1174-F1314 HydrophobicContact CD1-CE2 4.17Å; L1174-F1314 HydrophobicContact CD2-CD2 3.82Å; L1174-F1314 HydrophobicContact CD2-CE2 3.52Å; L1174-F1314 HydrophobicContact CD2-CZ 4.16Å; L1174-F1314 HydrophobicContact CG-CE2 4.34Å |
| 1175 | K | 82.6 | Confident | 79.5 | Confident | 146 Ų | 146 | 73.9 Ų | 73.9 | 64% | 0.635 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.2 | -38.8 | -179.3 | -76.7 | 175.5 | -179.9 | 171.5 | 0 | 112.3 | V1171 D1172 | V1171-K1175 HydrophobicContact CG1-CD 4.15Å; V1171-K1175 WeakPolarHBondContact O-CB 3.46Å; V1171-K1175 WeakPolarHBondContact O-CG 3.38Å; V1171-K1175 PolarHBondContact O-N 3.16Å; D1172-K1175 PolarHBondContact O-N 3.43Å |
| 1176 | R | 78.5 | Confident | 77.9 | Confident | 176 Ų | 176 | 79.2 Ų | 79.2 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -87.6 | -10.5 | -179.2 | -62.6 | -177.9 | -165.8 | -178.7 | 11.1 | 113.8 | D1172 L1174 R1178 | D1172-R1176 VanDerWaalsContact CG-CZ 3.41Å; D1172-R1176 VanDerWaalsContact CG-NE 3.27Å; D1172-R1176 VanDerWaalsContact CG-NH2 3.3Å; D1172-R1176 WeakPolarHBondContact O-CB 3.41Å; D1172-R1176 WeakPolarHBondContact O-CG 3.47Å; D1172-R1176 PolarHBondContact O-N 3.1Å; D1172-R1176 IonicContact OD1-CZ 2.74Å; D1172-R1176 IonicContact OD1-NE 2.95Å; D1172-R1176 PolarHBondContact OD1-NE 3.01Å; D1172-R1176 IonicContact OD1-NH2 3.43Å; D1172-R1176 PolarHBondContact OD1-NH2 3.2Å; D1172-R1176 IonicContact OD2-CZ 2.83Å; D1172-R1176 IonicContact OD2-NE 3.01Å; D1172-R1176 PolarHBondContact OD2-NE 3.35Å; D1172-R1176 IonicContact OD2-NH1 3.6Å; D1172-R1176 PolarHBondContact OD2-NH1 2.84Å; D1172-R1176 IonicContact OD2-NH2 3.75Å; D1172-R1176 PolarHBondContact OD2-NH2 3.49Å; D1172-R1176 VanDerWaalsContact OD2-NH2 3.07Å; L1174-R1176 VanDerWaalsContact C-N 3.34Å; L1174-R1176 PolarHBondContact O-N 3.42Å; R1176-R1178 HydrophobicContact CB-CB 4.4Å; R1176-R1178 PolarHBondContact O-N 3.42Å |
| 1177 | G | 73.6 | Confident | 75.8 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 75% | 0.753 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 26.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1173 L1174 | C1173-G1177 WeakPolarHBondContact O-CA 3.41Å; C1173-G1177 PolarHBondContact O-N 3.06Å; L1174-G1177 PolarHBondContact O-N 3.35Å |
| 1178 | R | 81.1 | Confident | 73.6 | Confident | 98 Ų | 98 | 85.2 Ų | 85.2 | 37% | 0.37 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 147.4 | -177.7 | -171 | -173.6 | 61.3 | 105.3 | -10.7 | 110 | C1173 R1176 E1206 | C1173-R1178 PolarHBondContact O-N 2.93Å; C1173-R1178 VanDerWaalsContact O-N 3.07Å; R1176-R1178 HydrophobicContact CB-CB 4.4Å; R1176-R1178 PolarHBondContact O-N 3.42Å; R1178-E1206 IonicContact CZ-OE1 3.18Å; R1178-E1206 IonicContact CZ-OE2 3.88Å; R1178-E1206 IonicContact NH1-OE1 2.67Å; R1178-E1206 IonicContact NH1-OE2 2.55Å; R1178-E1206 PolarHBondContact NH1-OE2 3.4Å; R1178-E1206 IonicContact NH2-OE1 3.26Å; R1178-E1206 PolarHBondContact NH2-OE1 3.26Å; R1178-E1206 IonicContact NH2-OE2 2.78Å; R1178-E1206 PolarHBondContact NH2-OE2 3.3Å |
| 1179 | R | 77.6 | Confident | 70.9 | Confident | 227 Ų | 227 | 86 Ų | 86 | 86% | 0.857 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 135.8 | 168.7 | -69.4 | -174.4 | 177.5 | 172.3 | -0.8 | 110.4 | ||
| 1180 | P | 78.8 | Confident | 68.3 | Low | 38 Ų | 38 | 91.4 Ų | 91.4 | 25% | 0.247 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -65 | 141 | 177 | 25.8 | -32.1 | 0 | 0 | 0 | 110.8 | E1206 L1207 T1210 | P1180-E1206 HydrophobicContact CB-CB 4Å; P1180-L1207 HydrophobicContact CG-CD1 3.98Å; P1180-T1210 HydrophobicContact CB-CG2 3.89Å; P1180-T1210 HydrophobicContact CG-CG2 4.05Å |
| 1181 | S | 78.3 | Confident | 65.5 | Low | 35 Ų | 35 | 101 Ų | 101 | 25% | 0.245 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 144.2 | 179.8 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | D1183 E1206 L1207 | S1181-D1183 VanDerWaalsContact C-N 3.26Å; S1181-E1206 PolarHBondContact N-OE2 3.03Å; S1181-E1206 PolarHBondContact OG-OE2 3.18Å; S1181-E1206 VanDerWaalsContact OG-OE2 3.09Å; S1181-L1207 WeakPolarHBondContact O-CB 3.45Å; S1181-L1207 PolarHBondContact O-N 3.42Å |
| 1182 | S | 77.1 | Confident | 62.8 | Low | 88 Ų | 88 | 110.4 Ų | 110.4 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | trans | -76.7 | -15.6 | 168.9 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | S1205 | S1182-S1205 WeakPolarHBondContact O-CB 3.49Š| ||
| 1183 | D | 69.5 | Low | 60.2 | Low | 110 Ų | 110 | 115 Ų | 115 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -67.7 | 141.6 | -176.4 | -60.6 | -30.9 | 0 | 0 | 0 | 111.1 | S1181 S1205 | S1181-D1183 VanDerWaalsContact C-N 3.26Å; D1183-S1205 WeakPolarHBondContact O-CB 3.41Å |
| 1184 | P | 66.1 | Low | 57.6 | Low | 78 Ų | 78 | 120.5 Ų | 120.5 | 51% | 0.506 | 60% | 0.599 | S | S | . | * | B | Isolated β-bridge | trans | -62.7 | 137.9 | -179.5 | 24.1 | -31.4 | 0 | 0 | 0 | 110.9 | I1186 V1204 | P1184-I1186 PolarHBondContact O-N 3.45Å; P1184-V1204 CarbonylContact C-O 3.46Å; P1184-V1204 WeakPolarHBondContact CA-O 3.34Å |
| 1185 | L | 64.4 | Low | 55.2 | Low | 72 Ų | 72 | 128 Ų | 128 | 38% | 0.377 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -67.8 | -4.8 | -172.9 | -85.3 | 160.6 | 0 | 0 | 0 | 114.3 | I1169 A1203 V1204 S1205 E1206 | I1169-L1185 HydrophobicContact CD1-CD1 3.79Å; I1169-L1185 HydrophobicContact CD1-CD2 4.38Å; L1185-A1203 HydrophobicContact CD1-CB 4.34Å; L1185-V1204 PolarHBondContact N-O 2.91Å; L1185-S1205 VanDerWaalsContact CD1-C 3.48Å; L1185-E1206 HydrophobicContact CD1-CG 4.49Å; L1185-E1206 HydrophobicContact CD2-CG 3.6Å; L1185-E1206 HydrophobicContact CG-CG 4.15Å |
| 1186 | I | 53.7 | Low | 52.9 | Low | 112 Ų | 112 | 126.1 Ų | 126.1 | 57% | 0.574 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -142.6 | 130.1 | -175.2 | -53.5 | 176.5 | 0 | 0 | 0 | 111 | P1184 F1188 | P1184-I1186 PolarHBondContact O-N 3.45Å; I1186-F1188 HydrophobicContact CG2-CD2 4.5Å; I1186-F1188 PolarHBondContact O-N 3.3Å |
| 1187 | D | 36.8 | Very low | 50.8 | Low | 151 Ų | 151 | 124.3 Ų | 124.3 | 81% | 0.807 | 63% | 0.627 | S | S | * | * | trans | -74.5 | 108.9 | 168.6 | -152.4 | 6.6 | 0 | 0 | 0 | 109 | D1189 | D1187-D1189 VanDerWaalsContact C-N 3.32Å; D1187-D1189 PolarHBondContact O-N 2.93Å; D1187-D1189 VanDerWaalsContact O-N 3.09Å | ||
| 1188 | F | 37 | Very low | 49.1 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 75% | 0.746 | 63% | 0.626 | S | S | * | * | trans | -88.3 | 61.8 | -168.7 | -116.5 | -81.8 | 0 | 0 | 0 | 111.8 | I1186 | I1186-F1188 HydrophobicContact CG2-CD2 4.5Å; I1186-F1188 PolarHBondContact O-N 3.3Å | ||
| 1189 | D | 28.3 | Very low | 47.1 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | trans | -92.4 | 110.8 | 169.6 | -99.1 | -10.1 | 0 | 0 | 0 | 111.3 | H872 D1187 | H872-D1189 IonicContact CE1-OD2 3.86Å; H872-D1189 PolarHBondContact CE1-OD2 2.84Å; H872-D1189 VanDerWaalsContact CE1-OD2 3.27Å; H872-D1189 IonicContact ND1-OD2 3.01Å; D1187-D1189 VanDerWaalsContact C-N 3.32Å; D1187-D1189 PolarHBondContact O-N 2.93Å; D1187-D1189 VanDerWaalsContact O-N 3.09Å | ||
| 1190 | H | 30.6 | Very low | 45.5 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 62% | 0.616 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 61.2 | 121.2 | 157.1 | -62.1 | -65.1 | 0 | 0 | 0 | 120.2 | ||
| 1191 | R | 26.6 | Very low | 44.1 | Very low | 206 Ų | 206 | 130.1 Ų | 130.1 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | trans | 95.3 | 73.2 | 158.4 | -53.3 | 178.7 | -170.6 | 180 | 3.5 | 118 | ||||
| 1192 | F | 28.7 | Very low | 42.9 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 91% | 0.908 | 66% | 0.657 | S | S | * | * | trans | -153.2 | 104.1 | 141.8 | -86.4 | -68.8 | 0 | 0 | 0 | 111.4 | N1194 | F1192-N1194 VanDerWaalsContact C-N 3.29Å; F1192-N1194 PolarHBondContact O-N 3.5Å | ||
| 1193 | T | 29.7 | Very low | 41.9 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | trans | -86.9 | 36.6 | 179.4 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1194 | N | 29 | Very low | 41.7 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | trans | -125.3 | 85.6 | 174.9 | -89.9 | -24.7 | 0 | 0 | 0 | 110.6 | F1192 S1196 | F1192-N1194 VanDerWaalsContact C-N 3.29Å; F1192-N1194 PolarHBondContact O-N 3.5Å; N1194-S1196 PolarHBondContact O-N 3.48Å; N1194-S1196 VanDerWaalsContact O-N 3.1Å | ||
| 1195 | R | 30.5 | Very low | 42.2 | Very low | 203 Ų | 203 | 125.9 Ų | 125.9 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -65.9 | 0.7 | -178.7 | -90.6 | -178.4 | 170.6 | 179.9 | -4 | 115.6 | ||
| 1196 | S | 35.2 | Very low | 43 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -84.7 | -2.3 | -178.7 | 59.8 | 0 | 0 | 0 | 0 | 115.2 | N1194 | N1194-S1196 PolarHBondContact O-N 3.48Å; N1194-S1196 VanDerWaalsContact O-N 3.1Å |
| 1197 | K | 35.1 | Very low | 44.5 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 60% | 0.596 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -111.1 | 3.3 | -177.5 | -81.9 | -177.3 | 176.8 | 178.6 | 0 | 115.3 | N1199 R1200 | K1197-N1199 VanDerWaalsContact C-N 3.3Å; K1197-N1199 PolarHBondContact O-N 3.26Å; K1197-R1200 WeakPolarHBondContact O-CB 3.4Å; K1197-R1200 PolarHBondContact O-N 3.45Å |
| 1198 | L | 36.7 | Very low | 46.5 | Very low | 139 Ų | 139 | 115.4 Ų | 115.4 | 73% | 0.728 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -72.6 | -16.1 | -173.5 | -120.8 | 91.4 | 0 | 0 | 0 | 114.8 | R1200 | L1198-R1200 PolarHBondContact O-N 3.03Å; L1198-R1200 VanDerWaalsContact O-N 3.14Å |
| 1199 | N | 39.3 | Very low | 48.7 | Very low | 137 Ų | 137 | 107.3 Ų | 107.3 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -71.8 | 0.2 | 174.6 | -82.1 | 4.9 | 0 | 0 | 0 | 114.1 | K1197 | K1197-N1199 VanDerWaalsContact C-N 3.3Å; K1197-N1199 PolarHBondContact O-N 3.26Å |
| 1200 | R | 44.3 | Very low | 51.4 | Low | 164 Ų | 164 | 103.3 Ų | 103.3 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -93.8 | 4 | -168.4 | -77.2 | -172.2 | 172.2 | -176.7 | -1.6 | 117 | K1197 L1198 | K1197-R1200 WeakPolarHBondContact O-CB 3.4Å; K1197-R1200 PolarHBondContact O-N 3.45Å; L1198-R1200 PolarHBondContact O-N 3.03Å; L1198-R1200 VanDerWaalsContact O-N 3.14Å |
| 1201 | L | 48.3 | Very low | 54.1 | Low | 118 Ų | 118 | 102.7 Ų | 102.7 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | trans | -136.1 | 92.8 | -174.1 | -74.9 | 153.7 | 0 | 0 | 0 | 110.8 | A1203 V1204 | L1201-A1203 PolarHBondContact O-N 3.24Å; L1201-V1204 VanDerWaalsContact O-CG2 3.22Å; L1201-V1204 WeakPolarHBondContact O-CG2 3.41Å | ||
| 1202 | Y | 53.5 | Low | 56.9 | Low | 104 Ų | 104 | 93 Ų | 93 | 41% | 0.408 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -60.2 | -22.9 | 166.3 | -131.9 | -91 | 0 | 0 | 0 | 111.3 | V1204 A1208 | Y1202-V1204 VanDerWaalsContact C-N 3.29Å; Y1202-V1204 PolarHBondContact O-N 3.04Å; Y1202-V1204 VanDerWaalsContact O-N 3.11Å; Y1202-A1208 VanDerWaalsContact O-CB 3.3Å; Y1202-A1208 WeakPolarHBondContact O-CB 3.4Å |
| 1203 | A | 55.8 | Low | 59.8 | Low | 23 Ų | 23 | 83.2 Ų | 83.2 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | trans | -84.6 | 55.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1185 L1201 S1205 A1209 | L1185-A1203 HydrophobicContact CD1-CB 4.34Å; L1201-A1203 PolarHBondContact O-N 3.24Å; A1203-S1205 VanDerWaalsContact C-N 3.3Å; A1203-A1209 HydrophobicContact CB-CB 4.01Å | ||
| 1204 | V | 65.7 | Low | 62.7 | Low | 81 Ų | 81 | 80.8 Ų | 80.8 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -68.9 | -34.1 | 172.5 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | P1184 L1185 L1201 Y1202 | P1184-V1204 CarbonylContact C-O 3.46Å; P1184-V1204 WeakPolarHBondContact CA-O 3.34Å; L1185-V1204 PolarHBondContact N-O 2.91Å; L1201-V1204 VanDerWaalsContact O-CG2 3.22Å; L1201-V1204 WeakPolarHBondContact O-CG2 3.41Å; Y1202-V1204 VanDerWaalsContact C-N 3.29Å; Y1202-V1204 PolarHBondContact O-N 3.04Å; Y1202-V1204 VanDerWaalsContact O-N 3.11Å |
| 1205 | S | 77.3 | Confident | 65.5 | Low | 15 Ų | 15 | 78.3 Ų | 78.3 | 11% | 0.105 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -137.1 | 163.8 | 174.6 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | S1182 D1183 L1185 A1203 L1207 A1208 A1209 | S1182-S1205 WeakPolarHBondContact O-CB 3.49Å; D1183-S1205 WeakPolarHBondContact O-CB 3.41Å; L1185-S1205 VanDerWaalsContact CD1-C 3.48Å; A1203-S1205 VanDerWaalsContact C-N 3.3Å; S1205-L1207 PolarHBondContact O-N 2.95Å; S1205-A1208 PolarHBondContact O-N 2.95Å; S1205-A1208 PolarHBondContact OG-N 2.98Å; S1205-A1208 VanDerWaalsContact OG-N 3.17Å; S1205-A1209 PolarHBondContact O-N 3.09Å |
| 1206 | E | 81 | Confident | 68.3 | Low | 33 Ų | 33 | 68.6 Ų | 68.6 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.8 | -41.3 | 173.5 | -67.8 | -173.5 | 154 | 0 | 0 | 111 | I1169 R1178 P1180 S1181 L1185 A1209 T1210 | I1169-E1206 HydrophobicContact CG2-CB 3.86Å; I1169-E1206 HydrophobicContact CG2-CG 3.91Å; R1178-E1206 IonicContact CZ-OE1 3.18Å; R1178-E1206 IonicContact CZ-OE2 3.88Å; R1178-E1206 IonicContact NH1-OE1 2.67Å; R1178-E1206 IonicContact NH1-OE2 2.55Å; R1178-E1206 PolarHBondContact NH1-OE2 3.4Å; R1178-E1206 IonicContact NH2-OE1 3.26Å; R1178-E1206 PolarHBondContact NH2-OE1 3.26Å; R1178-E1206 IonicContact NH2-OE2 2.78Å; R1178-E1206 PolarHBondContact NH2-OE2 3.3Å; P1180-E1206 HydrophobicContact CB-CB 4Å; S1181-E1206 PolarHBondContact N-OE2 3.03Å; S1181-E1206 PolarHBondContact OG-OE2 3.18Å; S1181-E1206 VanDerWaalsContact OG-OE2 3.09Å; L1185-E1206 HydrophobicContact CD1-CG 4.49Å; L1185-E1206 HydrophobicContact CD2-CG 3.6Å; L1185-E1206 HydrophobicContact CG-CG 4.15Å; E1206-A1209 PolarHBondContact O-N 3.22Å; E1206-T1210 WeakPolarHBondContact O-CG2 3.48Å; E1206-T1210 PolarHBondContact O-N 2.91Å; E1206-T1210 VanDerWaalsContact O-N 3.07Å; E1206-T1210 PolarHBondContact O-OG1 2.85Å |
| 1207 | L | 84.2 | Confident | 71 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 177.9 | -177.3 | 66.9 | 0 | 0 | 0 | 111.7 | P1180 S1181 S1205 A1209 T1210 E1211 | P1180-L1207 HydrophobicContact CG-CD1 3.98Å; S1181-L1207 WeakPolarHBondContact O-CB 3.45Å; S1181-L1207 PolarHBondContact O-N 3.42Å; S1205-L1207 PolarHBondContact O-N 2.95Å; L1207-A1209 VanDerWaalsContact C-N 3.31Å; L1207-A1209 PolarHBondContact O-N 3.33Å; L1207-T1210 PolarHBondContact O-N 3.28Å; L1207-T1210 VanDerWaalsContact O-N 3.09Å; L1207-T1210 PolarHBondContact O-OG1 2.6Å; L1207-E1211 HydrophobicContact CD1-CG 4.23Å; L1207-E1211 HydrophobicContact CG-CG 4.33Å; L1207-E1211 WeakPolarHBondContact O-CG 3.24Å; L1207-E1211 PolarHBondContact O-N 2.66Å |
| 1208 | A | 79.8 | Confident | 73.7 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 20% | 0.198 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -37.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1202 S1205 G1212 | Y1202-A1208 VanDerWaalsContact O-CB 3.3Å; Y1202-A1208 WeakPolarHBondContact O-CB 3.4Å; S1205-A1208 PolarHBondContact O-N 2.95Å; S1205-A1208 PolarHBondContact OG-N 2.98Å; S1205-A1208 VanDerWaalsContact OG-N 3.17Å; A1208-G1212 PolarHBondContact O-N 3.12Å |
| 1209 | A | 82.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1169 A1203 S1205 E1206 L1207 R1213 | I1169-A1209 HydrophobicContact CD1-CB 4.05Å; A1203-A1209 HydrophobicContact CB-CB 4.01Å; S1205-A1209 PolarHBondContact O-N 3.09Å; E1206-A1209 PolarHBondContact O-N 3.22Å; L1207-A1209 VanDerWaalsContact C-N 3.31Å; L1207-A1209 PolarHBondContact O-N 3.33Å; A1209-R1213 PolarHBondContact O-N 3.18Å |
| 1210 | T | 86.1 | Confident | 78.6 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 177.6 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | I1169 A1170 P1180 E1206 L1207 R1213 Y1214 | I1169-T1210 HydrophobicContact CG2-CG2 4.42Å; A1170-T1210 HydrophobicContact CB-CG2 3.76Å; P1180-T1210 HydrophobicContact CB-CG2 3.89Å; P1180-T1210 HydrophobicContact CG-CG2 4.05Å; E1206-T1210 WeakPolarHBondContact O-CG2 3.48Å; E1206-T1210 PolarHBondContact O-N 2.91Å; E1206-T1210 VanDerWaalsContact O-N 3.07Å; E1206-T1210 PolarHBondContact O-OG1 2.85Å; L1207-T1210 PolarHBondContact O-N 3.28Å; L1207-T1210 VanDerWaalsContact O-N 3.09Å; L1207-T1210 PolarHBondContact O-OG1 2.6Å; T1210-R1213 PolarHBondContact O-N 2.93Å; T1210-Y1214 VanDerWaalsContact O-CD2 3.29Å; T1210-Y1214 WeakPolarHBondContact O-CD2 3.39Å; T1210-Y1214 PolarHBondContact O-N 3.26Å |
| 1211 | E | 87 | Confident | 80.8 | Confident | 119 Ų | 119 | 46.8 Ų | 46.8 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.3 | -44.5 | 178.5 | -72.9 | -179.3 | 162.8 | 0 | 0 | 111.3 | L1207 R1213 Y1214 D1215 | L1207-E1211 HydrophobicContact CD1-CG 4.23Å; L1207-E1211 HydrophobicContact CG-CG 4.33Å; L1207-E1211 WeakPolarHBondContact O-CG 3.24Å; L1207-E1211 PolarHBondContact O-N 2.66Å; E1211-R1213 VanDerWaalsContact C-N 3.25Å; E1211-R1213 PolarHBondContact O-N 3.38Å; E1211-Y1214 PolarHBondContact O-N 2.95Å; E1211-D1215 WeakPolarHBondContact O-CB 3.49Å; E1211-D1215 PolarHBondContact O-N 3.34Å |
| 1212 | G | 85.5 | Confident | 82.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -35.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1164 A1208 A1216 | R1164-G1212 WeakPolarHBondContact CD-O 3.48Å; R1164-G1212 PolarHBondContact NH1-O 3.2Å; R1164-G1212 VanDerWaalsContact NH1-O 3.13Å; A1208-G1212 PolarHBondContact O-N 3.12Å; G1212-A1216 PolarHBondContact O-N 2.84Å |
| 1213 | R | 88.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.2 | -46 | 176.7 | -163.7 | 178.8 | -170.6 | 142.1 | 1.2 | 112.2 | A1161 D1165 D1168 A1209 T1210 E1211 D1215 A1216 Y1217 D1309 | A1161-R1213 HydrophobicContact CB-CG 4.08Å; D1165-R1213 HydrophobicContact CB-CB 4.24Å; D1165-R1213 HydrophobicContact CB-CG 4.43Å; D1165-R1213 IonicContact OD2-CZ 3.15Å; D1165-R1213 IonicContact OD2-NH1 2.8Å; D1165-R1213 PolarHBondContact OD2-NH1 3.12Å; D1168-R1213 IonicContact OD1-CZ 2.85Å; D1168-R1213 IonicContact OD1-NH1 2.76Å; D1168-R1213 PolarHBondContact OD1-NH1 3.02Å; D1168-R1213 IonicContact OD1-NH2 3.84Å; D1168-R1213 PolarHBondContact OD1-NH2 3.3Å; D1168-R1213 VanDerWaalsContact OD1-NH2 3.07Å; A1209-R1213 PolarHBondContact O-N 3.18Å; T1210-R1213 PolarHBondContact O-N 2.93Å; E1211-R1213 VanDerWaalsContact C-N 3.25Å; E1211-R1213 PolarHBondContact O-N 3.38Å; R1213-D1215 VanDerWaalsContact C-N 3.34Å; R1213-A1216 PolarHBondContact O-N 2.91Å; R1213-Y1217 HydrophobicContact CG-CE2 3.72Å; R1213-Y1217 PolarHBondContact NE-OH 2.96Å; R1213-Y1217 WeakPolarHBondContact O-CD2 3.29Å; R1213-Y1217 PolarHBondContact O-N 2.97Å; R1213-D1309 IonicContact CZ-OD2 3.98Å; R1213-D1309 IonicContact NE-OD2 2.96Å; R1213-D1309 IonicContact NH2-OD1 2.67Å; R1213-D1309 PolarHBondContact NH2-OD1 2.98Å; R1213-D1309 IonicContact NH2-OD2 3.61Å; R1213-D1309 PolarHBondContact NH2-OD2 3.23Å |
| 1214 | Y | 90.2 | Very high | 85.9 | Confident | 92 Ų | 92 | 37.8 Ų | 37.8 | 36% | 0.361 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.3 | -32.1 | 177.7 | -81.5 | -73.3 | 0 | 0 | 0 | 113.1 | T1210 E1211 A1216 Y1217 R1218 E1315 | T1210-Y1214 VanDerWaalsContact O-CD2 3.29Å; T1210-Y1214 WeakPolarHBondContact O-CD2 3.39Å; T1210-Y1214 PolarHBondContact O-N 3.26Å; E1211-Y1214 PolarHBondContact O-N 2.95Å; Y1214-A1216 VanDerWaalsContact C-N 3.32Å; Y1214-A1216 PolarHBondContact O-N 3.23Å; Y1214-Y1217 HydrophobicContact CD1-CD2 4.17Å; Y1214-Y1217 PolarHBondContact O-N 3.33Å; Y1214-R1218 WeakPolarHBondContact O-CB 3.31Å; Y1214-R1218 PolarHBondContact O-N 3.18Å; Y1214-E1315 HydrophobicContact CD1-CG 4.32Å; Y1214-E1315 HydrophobicContact CE1-CG 4.2Å; Y1214-E1315 VanDerWaalsContact CE1-OE1 3.24Å; Y1214-E1315 WeakPolarHBondContact CE1-OE1 3.33Å |
| 1215 | D | 87.8 | Confident | 86.9 | Confident | 72 Ų | 72 | 37.5 Ų | 37.5 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 173.9 | -175.9 | 53.5 | 0 | 0 | 0 | 111.6 | R1164 E1211 R1213 Y1217 R1218 R1219 | R1164-D1215 IonicContact CZ-OD2 2.74Å; R1164-D1215 IonicContact NH1-OD2 2.7Å; R1164-D1215 PolarHBondContact NH1-OD2 3.33Å; R1164-D1215 IonicContact NH2-OD2 3.74Å; E1211-D1215 WeakPolarHBondContact O-CB 3.49Å; E1211-D1215 PolarHBondContact O-N 3.34Å; R1213-D1215 VanDerWaalsContact C-N 3.34Å; D1215-Y1217 PolarHBondContact O-N 3.22Å; D1215-R1218 WeakPolarHBondContact O-CB 3.3Å; D1215-R1218 PolarHBondContact O-N 3.34Å; D1215-R1219 PolarHBondContact O-N 3.46Å; D1215-R1219 VanDerWaalsContact O-N 3.13Å |
| 1216 | A | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L1137 A1161 G1212 R1213 Y1214 R1218 R1219 M1220 | L1137-A1216 HydrophobicContact CD2-CB 3.78Å; A1161-A1216 HydrophobicContact CB-CB 3.81Å; G1212-A1216 PolarHBondContact O-N 2.84Å; R1213-A1216 PolarHBondContact O-N 2.91Å; Y1214-A1216 VanDerWaalsContact C-N 3.32Å; Y1214-A1216 PolarHBondContact O-N 3.23Å; A1216-R1218 VanDerWaalsContact C-N 3.34Å; A1216-R1219 PolarHBondContact O-N 2.78Å; A1216-M1220 PolarHBondContact O-N 3.05Å; A1216-M1220 VanDerWaalsContact O-N 3.08Å |
| 1217 | Y | 91.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.4 | -34.5 | 174 | -60 | -38 | 0 | 0 | 0 | 112.6 | L1158 A1161 R1213 Y1214 D1215 R1219 M1220 T1221 D1309 L1311 A1312 E1315 | L1158-Y1217 HydrophobicContact CD2-CE1 4.19Å; A1161-Y1217 HydrophobicContact CB-CD1 4.2Å; A1161-Y1217 HydrophobicContact CB-CE1 3.6Å; R1213-Y1217 HydrophobicContact CG-CE2 3.72Å; R1213-Y1217 PolarHBondContact NE-OH 2.96Å; R1213-Y1217 WeakPolarHBondContact O-CD2 3.29Å; R1213-Y1217 PolarHBondContact O-N 2.97Å; Y1214-Y1217 HydrophobicContact CD1-CD2 4.17Å; Y1214-Y1217 PolarHBondContact O-N 3.33Å; D1215-Y1217 PolarHBondContact O-N 3.22Å; Y1217-R1219 VanDerWaalsContact C-N 3.34Å; Y1217-R1219 PolarHBondContact O-N 3.28Å; Y1217-M1220 HydrophobicContact CD1-CE 4.08Å; Y1217-M1220 WeakPolarHBondContact O-CB 3.35Å; Y1217-M1220 PolarHBondContact O-N 3.2Å; Y1217-T1221 PolarHBondContact O-N 2.82Å; Y1217-T1221 PolarHBondContact O-OG1 3.2Å; Y1217-D1309 PolarHBondContact OH-OD1 3.33Å; Y1217-D1309 PolarHBondContact OH-OD2 2.97Å; Y1217-L1311 HydrophobicContact CE2-CB 3.63Å; Y1217-A1312 HydrophobicContact CD1-CB 4.39Å; Y1217-A1312 HydrophobicContact CE1-CB 3.78Å; Y1217-E1315 HydrophobicContact CD2-CG 4.16Å; Y1217-E1315 HydrophobicContact CG-CG 4.4Å |
| 1218 | R | 90.5 | Very high | 87.2 | Confident | 174 Ų | 174 | 37.7 Ų | 37.7 | 66% | 0.657 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.7 | -45.3 | 175.9 | -163 | 178.9 | -145.8 | -96.7 | -1.6 | 110.8 | Y1214 D1215 A1216 M1220 T1221 I1222 | Y1214-R1218 WeakPolarHBondContact O-CB 3.31Å; Y1214-R1218 PolarHBondContact O-N 3.18Å; D1215-R1218 WeakPolarHBondContact O-CB 3.3Å; D1215-R1218 PolarHBondContact O-N 3.34Å; A1216-R1218 VanDerWaalsContact C-N 3.34Å; R1218-M1220 VanDerWaalsContact C-N 3.35Å; R1218-M1220 PolarHBondContact O-N 2.91Å; R1218-T1221 WeakPolarHBondContact CA-OG1 3.47Å; R1218-T1221 PolarHBondContact O-N 3.33Å; R1218-T1221 PolarHBondContact O-OG1 3.43Å; R1218-I1222 WeakPolarHBondContact O-CG1 3.35Å; R1218-I1222 PolarHBondContact O-N 2.92Å |
| 1219 | R | 88.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 173.8 | -175.2 | 68.1 | -141.6 | 175.7 | 1.7 | 112.3 | L1137 D1138 V1141 E1145 D1215 A1216 Y1217 T1221 I1222 C1223 | L1137-R1219 HydrophobicContact CD2-CB 4.06Å; L1137-R1219 HydrophobicContact CD2-CG 4.35Å; L1137-R1219 HydrophobicContact CG-CB 4.49Å; L1137-R1219 HydrophobicContact CG-CG 4.26Å; D1138-R1219 WeakPolarHBondContact OD1-CD 3.44Å; D1138-R1219 IonicContact OD1-CZ 3.79Å; D1138-R1219 IonicContact OD1-NE 2.93Å; D1138-R1219 IonicContact OD1-NH1 3.31Å; D1138-R1219 PolarHBondContact OD1-NH1 2.96Å; V1141-R1219 HydrophobicContact CB-CG 4.08Å; V1141-R1219 HydrophobicContact CG1-CG 4.06Å; V1141-R1219 HydrophobicContact CG2-CG 3.96Å; E1145-R1219 IonicContact OE1-NH2 3.02Å; E1145-R1219 PolarHBondContact OE1-NH2 3.4Å; E1145-R1219 VanDerWaalsContact OE1-NH2 3.09Å; E1145-R1219 IonicContact OE2-NH2 2.83Å; D1215-R1219 PolarHBondContact O-N 3.46Å; D1215-R1219 VanDerWaalsContact O-N 3.13Å; A1216-R1219 PolarHBondContact O-N 2.78Å; Y1217-R1219 VanDerWaalsContact C-N 3.34Å; Y1217-R1219 PolarHBondContact O-N 3.28Å; R1219-T1221 VanDerWaalsContact C-N 3.33Å; R1219-T1221 PolarHBondContact O-N 2.84Å; R1219-I1222 PolarHBondContact O-N 2.8Å; R1219-C1223 PolarHBondContact O-N 3.4Å |
| 1220 | M | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.1 | -45.5 | 173.3 | 179.6 | -177 | 70.6 | 0 | 0 | 111.6 | V1154 C1157 L1158 A1216 Y1217 R1218 I1222 C1223 L1224 I1304 V1316 | V1154-M1220 HydrophobicContact CG1-CG 4.04Å; V1154-M1220 HydrophobicContact CG1-SD 4.01Å; V1154-M1220 HydrophobicContact CG2-CG 4.46Å; C1157-M1220 HydrophobicContact CB-CB 3.89Å; L1158-M1220 HydrophobicContact CD2-SD 3.94Å; L1158-M1220 HydrophobicContact CG-SD 4.21Å; A1216-M1220 PolarHBondContact O-N 3.05Å; A1216-M1220 VanDerWaalsContact O-N 3.08Å; Y1217-M1220 HydrophobicContact CD1-CE 4.08Å; Y1217-M1220 WeakPolarHBondContact O-CB 3.35Å; Y1217-M1220 PolarHBondContact O-N 3.2Å; R1218-M1220 VanDerWaalsContact C-N 3.35Å; R1218-M1220 PolarHBondContact O-N 2.91Å; M1220-I1222 PolarHBondContact O-N 3.48Å; M1220-C1223 WeakPolarHBondContact O-CB 3.4Å; M1220-C1223 PolarHBondContact O-N 3.33Å; M1220-L1224 WeakPolarHBondContact O-CG 3.15Å; M1220-L1224 PolarHBondContact O-N 2.99Å; M1220-I1304 HydrophobicContact SD-CD1 4.17Å; M1220-V1316 HydrophobicContact CE-CG2 3.92Å |
| 1221 | T | 89.2 | Confident | 86.5 | Confident | 24 Ų | 24 | 44 Ų | 44 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -35.9 | 177.9 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | Y1217 R1218 R1219 C1223 L1224 D1225 W1319 | Y1217-T1221 PolarHBondContact O-N 2.82Å; Y1217-T1221 PolarHBondContact O-OG1 3.2Å; R1218-T1221 WeakPolarHBondContact CA-OG1 3.47Å; R1218-T1221 PolarHBondContact O-N 3.33Å; R1218-T1221 PolarHBondContact O-OG1 3.43Å; R1219-T1221 VanDerWaalsContact C-N 3.33Å; R1219-T1221 PolarHBondContact O-N 2.84Å; T1221-C1223 VanDerWaalsContact C-N 3.33Å; T1221-L1224 PolarHBondContact O-N 3.28Å; T1221-D1225 WeakPolarHBondContact O-CB 3.35Å; T1221-D1225 PolarHBondContact O-N 3.4Å; T1221-W1319 HydrophobicContact CG2-CB 4.03Å; T1221-W1319 HydrophobicContact CG2-CG 4.14Å |
| 1222 | I | 89 | Confident | 85.9 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 28% | 0.282 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 173.7 | -67.4 | 164.3 | 0 | 0 | 0 | 110.4 | R1218 R1219 M1220 L1224 D1225 H1226 | R1218-I1222 WeakPolarHBondContact O-CG1 3.35Å; R1218-I1222 PolarHBondContact O-N 2.92Å; R1219-I1222 PolarHBondContact O-N 2.8Å; M1220-I1222 PolarHBondContact O-N 3.48Å; I1222-L1224 VanDerWaalsContact C-N 3.34Å; I1222-L1224 PolarHBondContact O-N 3.2Å; I1222-D1225 WeakPolarHBondContact O-CB 3.48Å; I1222-D1225 PolarHBondContact O-N 3.37Å; I1222-D1225 VanDerWaalsContact O-N 3.12Å; I1222-H1226 PolarHBondContact O-N 2.95Å |
| 1223 | C | 87.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.8 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | V1141 E1145 R1219 M1220 T1221 D1225 H1226 L1227 | V1141-C1223 HydrophobicContact CG1-CB 4.46Å; E1145-C1223 WeakPolarHBondContact OE1-CB 3.3Å; E1145-C1223 PolarHBondContact OE1-SG 3.33Å; R1219-C1223 PolarHBondContact O-N 3.4Å; M1220-C1223 WeakPolarHBondContact O-CB 3.4Å; M1220-C1223 PolarHBondContact O-N 3.33Å; T1221-C1223 VanDerWaalsContact C-N 3.33Å; C1223-D1225 VanDerWaalsContact C-N 3.33Å; C1223-H1226 PolarHBondContact O-N 2.9Å; C1223-L1227 PolarHBondContact O-N 2.62Å |
| 1224 | L | 87.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -35 | 174.1 | -65.7 | 174.2 | 0 | 0 | 0 | 112.3 | M1220 T1221 I1222 L1227 L1228 L1297 I1300 V1316 W1319 | M1220-L1224 WeakPolarHBondContact O-CG 3.15Å; M1220-L1224 PolarHBondContact O-N 2.99Å; T1221-L1224 PolarHBondContact O-N 3.28Å; I1222-L1224 VanDerWaalsContact C-N 3.34Å; I1222-L1224 PolarHBondContact O-N 3.2Å; L1224-L1227 PolarHBondContact O-N 2.94Å; L1224-L1228 WeakPolarHBondContact O-CB 3.48Å; L1224-L1228 PolarHBondContact O-N 3.33Å; L1224-L1297 HydrophobicContact CD2-CD1 3.68Å; L1224-I1300 HydrophobicContact CD2-CG2 3.82Å; L1224-V1316 HydrophobicContact CD1-CG2 4.42Å; L1224-W1319 HydrophobicContact CB-CD2 4.39Å; L1224-W1319 HydrophobicContact CB-CH2 3.93Å; L1224-W1319 HydrophobicContact CB-CZ2 3.67Å; L1224-W1319 HydrophobicContact CB-CZ3 4.36Å; L1224-W1319 HydrophobicContact CD1-CD2 4.41Å; L1224-W1319 HydrophobicContact CD1-CE3 4.25Å; L1224-W1319 HydrophobicContact CD1-CZ3 4.45Å |
| 1225 | D | 86.9 | Confident | 82.7 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 177.6 | -139 | 43.7 | 0 | 0 | 0 | 111.6 | T1221 I1222 C1223 L1227 L1228 H1229 W1319 | T1221-D1225 WeakPolarHBondContact O-CB 3.35Å; T1221-D1225 PolarHBondContact O-N 3.4Å; I1222-D1225 WeakPolarHBondContact O-CB 3.48Å; I1222-D1225 PolarHBondContact O-N 3.37Å; I1222-D1225 VanDerWaalsContact O-N 3.12Å; C1223-D1225 VanDerWaalsContact C-N 3.33Å; D1225-L1227 VanDerWaalsContact C-N 3.31Å; D1225-L1227 PolarHBondContact O-N 2.76Å; D1225-L1228 PolarHBondContact O-N 2.97Å; D1225-H1229 WeakPolarHBondContact O-CB 3.39Å; D1225-H1229 PolarHBondContact O-N 3.1Å; D1225-W1319 PolarHBondContact OD1-NE1 3.05Å |
| 1226 | H | 83.9 | Confident | 81.4 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 38% | 0.384 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 172 | -67 | 173 | 0 | 0 | 0 | 111.4 | E1145 W1150 I1222 C1223 A1230 | E1145-H1226 IonicContact OE1-ND1 3.15Å; E1145-H1226 IonicContact OE2-CE1 3.25Å; E1145-H1226 IonicContact OE2-ND1 2.67Å; E1145-H1226 PolarHBondContact OE2-ND1 3.03Å; W1150-H1226 HydrophobicContact CH2-CB 3.93Å; W1150-H1226 HydrophobicContact CZ3-CB 3.86Å; I1222-H1226 PolarHBondContact O-N 2.95Å; C1223-H1226 PolarHBondContact O-N 2.9Å; H1226-A1230 WeakPolarHBondContact O-CB 3.49Å; H1226-A1230 PolarHBondContact O-N 3.4Å |
| 1227 | L | 82.7 | Confident | 80.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 174.6 | -78.6 | 172.5 | 0 | 0 | 0 | 113.4 | W1150 C1223 L1224 D1225 A1230 A1231 I1296 L1297 I1300 | W1150-L1227 HydrophobicContact CB-CD1 4.14Å; W1150-L1227 HydrophobicContact CD2-CD1 4.15Å; W1150-L1227 HydrophobicContact CD2-CD2 3.6Å; W1150-L1227 HydrophobicContact CD2-CG 3.83Å; W1150-L1227 HydrophobicContact CE3-CD1 3.87Å; W1150-L1227 HydrophobicContact CE3-CD2 3.84Å; W1150-L1227 HydrophobicContact CE3-CG 3.53Å; W1150-L1227 HydrophobicContact CG-CD1 4.28Å; W1150-L1227 HydrophobicContact CG-CD2 3.9Å; W1150-L1227 HydrophobicContact CG-CG 4.35Å; W1150-L1227 HydrophobicContact CZ2-CD2 4.35Å; W1150-L1227 HydrophobicContact CZ3-CD2 4.32Å; W1150-L1227 HydrophobicContact CZ3-CG 3.92Å; C1223-L1227 PolarHBondContact O-N 2.62Å; L1224-L1227 PolarHBondContact O-N 2.94Å; D1225-L1227 VanDerWaalsContact C-N 3.31Å; D1225-L1227 PolarHBondContact O-N 2.76Å; L1227-A1230 WeakPolarHBondContact O-CB 3.4Å; L1227-A1230 PolarHBondContact O-N 2.96Å; L1227-A1231 WeakPolarHBondContact O-CB 3.26Å; L1227-A1231 PolarHBondContact O-N 2.87Å; L1227-I1296 HydrophobicContact CD1-CG2 4.23Å; L1227-I1296 HydrophobicContact CD2-CG2 4.22Å; L1227-L1297 HydrophobicContact CB-CD1 4.36Å; L1227-I1300 HydrophobicContact CD1-CD1 3.62Å |
| 1228 | L | 82.9 | Confident | 79.1 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 177.9 | -176.1 | 68.2 | 0 | 0 | 0 | 111 | L1224 D1225 A1230 A1231 I1233 L1240 L1297 W1319 N1323 L1325 | L1224-L1228 WeakPolarHBondContact O-CB 3.48Å; L1224-L1228 PolarHBondContact O-N 3.33Å; D1225-L1228 PolarHBondContact O-N 2.97Å; L1228-A1230 VanDerWaalsContact C-N 3.31Å; L1228-A1230 PolarHBondContact O-N 2.86Å; L1228-A1231 WeakPolarHBondContact O-CB 3.49Å; L1228-A1231 PolarHBondContact O-N 3.48Å; L1228-A1231 VanDerWaalsContact O-N 3.14Å; L1228-I1233 HydrophobicContact CD1-CD1 3.86Å; L1228-L1240 HydrophobicContact CD1-CD2 4.25Å; L1228-L1297 HydrophobicContact CD1-CD2 4.1Å; L1228-W1319 HydrophobicContact CB-CH2 4.15Å; L1228-W1319 HydrophobicContact CB-CZ2 3.94Å; L1228-W1319 HydrophobicContact CD1-CH2 4.45Å; L1228-W1319 HydrophobicContact CD2-CH2 4.1Å; L1228-W1319 HydrophobicContact CD2-CZ2 3.77Å; L1228-W1319 HydrophobicContact CG-CH2 4.47Å; L1228-W1319 HydrophobicContact CG-CZ2 4.38Å; L1228-N1323 HydrophobicContact CD2-CB 4.02Å; L1228-N1323 WeakPolarHBondContact CD2-ND2 3.41Å; L1228-L1325 HydrophobicContact CD1-CD1 4.2Å |
| 1229 | H | 82.5 | Confident | 77.9 | Confident | 162 Ų | 162 | 58.4 Ų | 58.4 | 75% | 0.75 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 174.5 | -169.3 | -78.5 | 0 | 0 | 0 | 111.1 | D1225 A1231 Q1232 | D1225-H1229 WeakPolarHBondContact O-CB 3.39Å; D1225-H1229 PolarHBondContact O-N 3.1Å; H1229-A1231 VanDerWaalsContact C-N 3.27Å; H1229-A1231 PolarHBondContact O-N 3.45Å; H1229-Q1232 PolarHBondContact O-N 3.16Å |
| 1230 | A | 76.2 | Confident | 76.7 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1226 L1227 L1228 Q1232 L1287 A1293 | H1226-A1230 WeakPolarHBondContact O-CB 3.49Å; H1226-A1230 PolarHBondContact O-N 3.4Å; L1227-A1230 WeakPolarHBondContact O-CB 3.4Å; L1227-A1230 PolarHBondContact O-N 2.96Å; L1228-A1230 VanDerWaalsContact C-N 3.31Å; L1228-A1230 PolarHBondContact O-N 2.86Å; A1230-Q1232 VanDerWaalsContact C-N 3.28Å; A1230-Q1232 PolarHBondContact O-N 3.01Å; A1230-L1287 HydrophobicContact CB-CB 4.41Å; A1230-L1287 HydrophobicContact CB-CD2 3.19Å; A1230-L1287 HydrophobicContact CB-CG 3.77Å; A1230-A1293 HydrophobicContact CB-CB 3.74Å |
| 1231 | A | 75.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -10.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1227 L1228 H1229 I1233 A1293 R1294 | L1227-A1231 WeakPolarHBondContact O-CB 3.26Å; L1227-A1231 PolarHBondContact O-N 2.87Å; L1228-A1231 WeakPolarHBondContact O-CB 3.49Å; L1228-A1231 PolarHBondContact O-N 3.48Å; L1228-A1231 VanDerWaalsContact O-N 3.14Å; H1229-A1231 VanDerWaalsContact C-N 3.27Å; H1229-A1231 PolarHBondContact O-N 3.45Å; A1231-I1233 HydrophobicContact CB-CD1 4.12Å; A1231-I1233 HydrophobicContact CB-CG1 3.98Å; A1231-I1233 PolarHBondContact O-N 3.42Å; A1231-A1293 HydrophobicContact CB-CB 4.06Å; A1231-R1294 HydrophobicContact CB-CG 3.62Å; A1231-R1294 VanDerWaalsContact O-CZ 3.27Å; A1231-R1294 PolarHBondContact O-NE 3.28Å; A1231-R1294 PolarHBondContact O-NH2 3.08Å |
| 1232 | Q | 73.7 | Confident | 73.2 | Confident | 145 Ų | 145 | 69.1 Ų | 69.1 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 53.2 | 177.5 | -62.3 | -176.3 | -2.8 | 0 | 0 | 113.7 | H1229 A1230 P1290 R1294 | H1229-Q1232 PolarHBondContact O-N 3.16Å; A1230-Q1232 VanDerWaalsContact C-N 3.28Å; A1230-Q1232 PolarHBondContact O-N 3.01Å; Q1232-P1290 HydrophobicContact CB-CB 4.19Å; Q1232-P1290 HydrophobicContact CG-CB 4.47Å; Q1232-R1294 PolarHBondContact O-NH2 2.89Å; Q1232-R1294 VanDerWaalsContact O-NH2 3.14Å |
| 1233 | I | 68.6 | Low | 71 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 21% | 0.205 | 37% | 0.368 | C | S | . | . | trans | -83.2 | 138.2 | -179.6 | -58.9 | -179.3 | 0 | 0 | 0 | 109.2 | L1228 A1231 A1237 L1240 R1294 | L1228-I1233 HydrophobicContact CD1-CD1 3.86Å; A1231-I1233 HydrophobicContact CB-CD1 4.12Å; A1231-I1233 HydrophobicContact CB-CG1 3.98Å; A1231-I1233 PolarHBondContact O-N 3.42Å; I1233-A1237 HydrophobicContact CG2-CB 3.77Å; I1233-L1240 HydrophobicContact CD1-CD2 3.32Å; I1233-L1240 HydrophobicContact CD1-CG 4.5Å; I1233-R1294 HydrophobicContact CD1-CG 4.4Å | ||
| 1234 | K | 64.8 | Low | 68.5 | Low | 163 Ų | 163 | 79 Ų | 79 | 71% | 0.709 | 41% | 0.408 | S | S | * | . | trans | -65.3 | 138.5 | 179.9 | -152.1 | 175.6 | -175.2 | -177.4 | 0 | 109.3 | D1236 A1237 | K1234-D1236 PolarHBondContact O-N 2.97Å; K1234-A1237 HydrophobicContact CB-CB 4.47Å; K1234-A1237 WeakPolarHBondContact O-CB 3.26Å; K1234-A1237 PolarHBondContact O-N 3.31Å | ||
| 1235 | S | 63.9 | Low | 65.7 | Low | 112 Ų | 112 | 83.4 Ų | 83.4 | 78% | 0.783 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -22.1 | -176.7 | 54 | 0 | 0 | 0 | 0 | 115 | ||
| 1236 | D | 61.9 | Low | 62.9 | Low | 133 Ų | 133 | 86.3 Ų | 86.3 | 71% | 0.711 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -3 | -174.8 | -51.1 | -9.4 | 0 | 0 | 0 | 112.7 | K1234 | K1234-D1236 PolarHBondContact O-N 2.97Š|
| 1237 | A | 64.9 | Low | 60.1 | Low | 35 Ų | 35 | 87.9 Ų | 87.9 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | trans | -82.2 | 125.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1233 K1234 | I1233-A1237 HydrophobicContact CG2-CB 3.77Å; K1234-A1237 HydrophobicContact CB-CB 4.47Å; K1234-A1237 WeakPolarHBondContact O-CB 3.26Å; K1234-A1237 PolarHBondContact O-N 3.31Å | ||
| 1238 | T | 68.3 | Low | 57.5 | Low | 43 Ų | 43 | 94.5 Ų | 94.5 | 26% | 0.264 | 52% | 0.516 | S | S | . | . | trans | -89.3 | -8.8 | 175.8 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | D1327 T1328 | T1238-D1327 WeakPolarHBondContact CB-OD2 3.41Å; T1238-D1327 PolarHBondContact O-N 3.09Å; T1238-D1327 PolarHBondContact OG1-OD2 2.98Å; T1238-T1328 WeakPolarHBondContact O-CG2 3.33Å; T1238-T1328 PolarHBondContact O-N 2.78Å | ||
| 1239 | Y | 65.6 | Low | 54.8 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 37% | 0.373 | 55% | 0.552 | S | S | . | * | trans | -115.3 | 139.4 | -179.4 | -61.1 | -90.6 | 0 | 0 | 0 | 111.9 | D1327 L1331 | Y1239-D1327 HydrophobicContact CD1-CB 3.95Å; Y1239-D1327 HydrophobicContact CD2-CB 4.33Å; Y1239-D1327 HydrophobicContact CE1-CB 3.49Å; Y1239-D1327 VanDerWaalsContact CE1-CB 3.49Å; Y1239-D1327 HydrophobicContact CE2-CB 3.89Å; Y1239-D1327 WeakPolarHBondContact CE2-OD2 3.15Å; Y1239-D1327 HydrophobicContact CG-CB 4.34Å; Y1239-D1327 VanDerWaalsContact CZ-CB 3.42Å; Y1239-D1327 PolarHBondContact OH-OD2 2.95Å; Y1239-D1327 VanDerWaalsContact OH-OD2 3.14Å; Y1239-L1331 HydrophobicContact CD1-CD1 3.71Å; Y1239-L1331 HydrophobicContact CE1-CD1 3.58Å | ||
| 1240 | L | 64.2 | Low | 52.2 | Low | 12 Ų | 12 | 100.6 Ų | 100.6 | 6% | 0.063 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -73 | -27.2 | 171.6 | -79.4 | 168.6 | 0 | 0 | 0 | 112.6 | L1228 I1233 L1297 L1301 L1325 T1328 | L1228-L1240 HydrophobicContact CD1-CD2 4.25Å; I1233-L1240 HydrophobicContact CD1-CD2 3.32Å; I1233-L1240 HydrophobicContact CD1-CG 4.5Å; L1240-L1297 HydrophobicContact CD1-CD2 4.35Å; L1240-L1297 HydrophobicContact CD1-CG 4.49Å; L1240-L1297 HydrophobicContact CD2-CD2 3.58Å; L1240-L1301 HydrophobicContact CD1-CD1 3.38Å; L1240-L1325 HydrophobicContact CD2-CD1 3.92Å; L1240-L1325 HydrophobicContact CD2-CD2 4.32Å; L1240-L1325 HydrophobicContact CG-CD1 4.19Å; L1240-L1325 HydrophobicContact CG-CD2 4.32Å; L1240-T1328 HydrophobicContact CB-CG2 3.98Å; L1240-T1328 HydrophobicContact CD1-CG2 4.13Å; L1240-T1328 HydrophobicContact CG-CG2 3.81Å |
| 1241 | L | 58.1 | Low | 49.9 | Very low | 89 Ų | 89 | 106.2 Ų | 106.2 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -133.4 | 123 | 173.8 | -87.6 | 137.4 | 0 | 0 | 0 | 108.9 | ||
| 1242 | E | 48.9 | Very low | 47.5 | Very low | 175 Ų | 175 | 113.1 Ų | 113.1 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | trans | -62.6 | 129.9 | 170 | -78.9 | -178.8 | 161 | 0 | 0 | 109.1 | I1244 | E1242-I1244 PolarHBondContact O-N 2.91Š| ||
| 1243 | P | 41.9 | Very low | 45.4 | Very low | 98 Ų | 98 | 114.1 Ų | 114.1 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | trans | -62.4 | 122.7 | 170.6 | 25.2 | -29.4 | 0 | 0 | 0 | 107.6 | S1245 | P1243-S1245 PolarHBondContact O-N 3.16Š| ||
| 1244 | I | 35.5 | Very low | 43.3 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 84% | 0.836 | 66% | 0.661 | S | S | * | * | trans | -53.3 | 109.6 | -178.6 | -62.4 | 166.6 | 0 | 0 | 0 | 108.2 | E1242 T1246 | E1242-I1244 PolarHBondContact O-N 2.91Å; I1244-T1246 PolarHBondContact O-N 3.15Å | ||
| 1245 | S | 28.8 | Very low | 41.5 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | trans | -67.8 | 117.2 | 170.4 | -61.1 | 0 | 0 | 0 | 0 | 107.1 | P1243 T1247 | P1243-S1245 PolarHBondContact O-N 3.16Å; S1245-T1247 PolarHBondContact O-N 2.6Å | ||
| 1246 | T | 27.6 | Very low | 39.8 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 83% | 0.834 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -64.5 | 70.7 | 174.7 | 49 | 0 | 0 | 0 | 0 | 111.1 | I1244 | I1244-T1246 PolarHBondContact O-N 3.15Š|
| 1247 | T | 26.3 | Very low | 38.1 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 71% | 0.712 | 68% | 0.676 | S | S | * | * | trans | -156.8 | 62.3 | 169.5 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | S1245 | S1245-T1247 PolarHBondContact O-N 2.6Š| ||
| 1248 | T | 27.1 | Very low | 36.3 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 87% | 0.871 | 70% | 0.703 | S | S | * | * | trans | -172.6 | 74.1 | 151.3 | 10.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1249 | I | 27.3 | Very low | 34.6 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | -113.4 | 102.1 | 155.3 | -62 | 176.7 | 0 | 0 | 0 | 105 | ||||
| 1250 | N | 27.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -141.1 | 112.4 | 159.5 | -111.1 | -3.4 | 0 | 0 | 0 | 107.9 | ||||
| 1251 | N | 26.9 | Very low | 31.2 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 63.7 | 88.9 | 150.4 | -57.9 | -10.7 | 0 | 0 | 0 | 118.1 | ||
| 1252 | N | 26.4 | Very low | 29.8 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | 162.3 | 107.6 | 106 | -78.2 | -16.9 | 0 | 0 | 0 | 109.5 | |||||
| 1253 | N | 28.4 | Very low | 28.8 | Very low | 166 Ų | 166 | 147 Ų | 147 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | 157.8 | 78.1 | 144.7 | -77.1 | -10.9 | 0 | 0 | 0 | 108.8 | T1255 | N1253-T1255 PolarHBondContact O-N 3.4Š| ||
| 1254 | E | 25.2 | Very low | 28.1 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 118.9 | 156.8 | -73.4 | -177.6 | 148.6 | 0 | 0 | 108 | ||||
| 1255 | T | 27.5 | Very low | 27.6 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -176.9 | 136.7 | 134.5 | 23.8 | 0 | 0 | 0 | 0 | 109.5 | N1253 | N1253-T1255 PolarHBondContact O-N 3.4Š| ||
| 1256 | I | 28.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | 86.1 | 80.7 | 174 | -43.5 | 168 | 0 | 0 | 0 | 115 | ||||
| 1257 | L | 26.3 | Very low | 27.5 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | trans | -169.6 | 90.5 | 131.4 | -100.4 | 155 | 0 | 0 | 0 | 109.5 | ||||
| 1258 | N | 26.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 155.5 Ų | 155.5 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -135.7 | 100.1 | 163.6 | -101.1 | -17.2 | 0 | 0 | 0 | 108.2 | ||||
| 1259 | K | 33.1 | Very low | 27.9 | Very low | 209 Ų | 209 | 158.2 Ų | 158.2 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -166.1 | 137.6 | 141.6 | -106.6 | 170.4 | -174.6 | 179.9 | 0 | 110.1 | ||||
| 1260 | T | 27.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -107.9 | 159.7 | -156.5 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1261 | N | 29.7 | Very low | 28.1 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | 133.4 | 108.3 | 137.9 | -70.4 | -6.4 | 0 | 0 | 0 | 112.4 | ||||
| 1262 | Q | 29.7 | Very low | 28.1 | Very low | 165 Ų | 165 | 153 Ų | 153 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | 80 | 94.2 | 86.7 | -81.4 | -174.8 | -12.9 | 0 | 0 | 113.5 | |||||
| 1263 | D | 26.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | 156.3 | 142.3 | 121.1 | -76.1 | -21.3 | 0 | 0 | 0 | 110.1 | |||||
| 1264 | G | 28.4 | Very low | 28.5 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -79 | 157.9 | -152.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1265 | E | 24.2 | Very low | 28.9 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | trans | -170.2 | 146.2 | 135 | -102.7 | -177.7 | -170 | 0 | 0 | 108.7 | ||||
| 1266 | E | 28.6 | Very low | 28.9 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -57.1 | 135.9 | 173.2 | -73.8 | 176.5 | 133.7 | 0 | 0 | 110.9 | ||||
| 1267 | Y | 26.7 | Very low | 29 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | trans | 172.5 | 166.6 | 142.3 | -94.1 | -54 | 0 | 0 | 0 | 111.5 | ||||
| 1268 | P | 32.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | -88.1 | 167.7 | -134.8 | 39.1 | -35 | 0 | 0 | 0 | 113.9 | N1270 | P1268-N1270 PolarHBondContact O-N 2.99Å; P1268-N1270 VanDerWaalsContact O-N 3.14Å | ||
| 1269 | F | 27.8 | Very low | 29.8 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | trans | -26 | 112.3 | 168.8 | -89.5 | -95.6 | 0 | 0 | 0 | 113.5 | I1271 | F1269-I1271 PolarHBondContact O-N 3.33Š| ||
| 1270 | N | 25.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 130 Ų | 130 | 64% | 0.642 | 68% | 0.676 | S | S | * | * | trans | -75 | 89.4 | -178.4 | -155.3 | -6.1 | 0 | 0 | 0 | 109.7 | P1268 N1272 | P1268-N1270 PolarHBondContact O-N 2.99Å; P1268-N1270 VanDerWaalsContact O-N 3.14Å; N1270-N1272 PolarHBondContact O-N 3.15Å | ||
| 1271 | I | 33.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 48% | 0.482 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -2.7 | 179.4 | -70.1 | 169.6 | 0 | 0 | 0 | 112.3 | F1269 E1273 S1275 M1302 | F1269-I1271 PolarHBondContact O-N 3.33Å; I1271-E1273 PolarHBondContact O-N 2.9Å; I1271-S1275 PolarHBondContact O-N 2.73Å; I1271-M1302 HydrophobicContact CD1-CE 4.25Å; I1271-M1302 HydrophobicContact CD1-SD 4.46Å |
| 1272 | N | 28.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77 | -18.7 | -176 | -71.2 | -19.7 | 0 | 0 | 0 | 114.7 | N1270 | N1270-N1272 PolarHBondContact O-N 3.15Å |
| 1273 | E | 31 | Very low | 30.7 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -85.2 | -24.3 | 174.4 | -80.3 | -177.6 | 152.6 | 0 | 0 | 113.5 | I1271 S1277 | I1271-E1273 PolarHBondContact O-N 2.9Å; E1273-S1277 PolarHBondContact O-OG 2.95Å |
| 1274 | L | 31.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.3 | -28.6 | 170.3 | -81.5 | 161.4 | 0 | 0 | 0 | 112.1 | N1276 S1277 L1278 | L1274-N1276 VanDerWaalsContact C-N 3.29Å; L1274-N1276 PolarHBondContact O-N 3Å; L1274-S1277 WeakPolarHBondContact CA-OG 3.4Å; L1274-S1277 PolarHBondContact O-N 3.24Å; L1274-S1277 PolarHBondContact O-OG 3.38Å; L1274-L1278 HydrophobicContact CD2-CD1 4.33Å; L1274-L1278 WeakPolarHBondContact O-CB 3.03Å; L1274-L1278 PolarHBondContact O-N 2.97Å |
| 1275 | S | 33.5 | Very low | 31.9 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.2 | -37.7 | 173.1 | 172.5 | 0 | 0 | 0 | 0 | 113.2 | I1271 | I1271-S1275 PolarHBondContact O-N 2.73Å |
| 1276 | N | 28.7 | Very low | 32.8 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 65% | 0.652 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -89.6 | -17.1 | -176.9 | -70.9 | -13.3 | 0 | 0 | 0 | 113.3 | L1274 | L1274-N1276 VanDerWaalsContact C-N 3.29Å; L1274-N1276 PolarHBondContact O-N 3Å |
| 1277 | S | 29.6 | Very low | 33.8 | Very low | 56 Ų | 56 | 114.2 Ų | 114.2 | 39% | 0.392 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -99.5 | -19.6 | 177.8 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | E1273 L1274 I1280 | E1273-S1277 PolarHBondContact O-OG 2.95Å; L1274-S1277 WeakPolarHBondContact CA-OG 3.4Å; L1274-S1277 PolarHBondContact O-N 3.24Å; L1274-S1277 PolarHBondContact O-OG 3.38Å; S1277-I1280 WeakPolarHBondContact O-CB 3.31Å; S1277-I1280 PolarHBondContact O-N 3.29Å |
| 1278 | L | 32.6 | Very low | 35 | Very low | 69 Ų | 69 | 107.6 Ų | 107.6 | 36% | 0.361 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -7 | 170.4 | -116.6 | 89.3 | 0 | 0 | 0 | 114.4 | L1274 I1280 I1299 | L1274-L1278 HydrophobicContact CD2-CD1 4.33Å; L1274-L1278 WeakPolarHBondContact O-CB 3.03Å; L1274-L1278 PolarHBondContact O-N 2.97Å; L1278-I1280 PolarHBondContact O-N 3.35Å; L1278-I1299 HydrophobicContact CD2-CD1 3.36Å |
| 1279 | F | 37 | Very low | 36.3 | Very low | 151 Ų | 151 | 104.9 Ų | 104.9 | 66% | 0.662 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -11.2 | 164.9 | -137.6 | -87.1 | 0 | 0 | 0 | 111.6 | ||
| 1280 | I | 35 | Very low | 38.3 | Very low | 113 Ų | 113 | 96.5 Ų | 96.5 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -98.6 | -7.3 | -170.8 | -62.4 | -179.4 | 0 | 0 | 0 | 113.3 | S1277 L1278 | S1277-I1280 WeakPolarHBondContact O-CB 3.31Å; S1277-I1280 PolarHBondContact O-N 3.29Å; L1278-I1280 PolarHBondContact O-N 3.35Å |
| 1281 | L | 31.4 | Very low | 40.5 | Very low | 91 Ų | 91 | 96.6 Ų | 96.6 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | trans | -114.1 | 64.1 | -179.4 | -72.4 | 169.2 | 0 | 0 | 0 | 112.5 | E1283 | L1281-E1283 PolarHBondContact O-N 3.08Š| ||
| 1282 | N | 38.1 | Very low | 42.1 | Very low | 74 Ų | 74 | 94.8 Ų | 94.8 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | trans | -82.2 | 31.3 | 162.7 | -130.6 | -3.9 | 0 | 0 | 0 | 110.8 | R1089 | R1089-N1282 PolarHBondContact NH2-ND2 2.85Å; R1089-N1282 PolarHBondContact NH2-O 3.29Å; R1089-N1282 VanDerWaalsContact NH2-O 3.1Å; R1089-N1282 PolarHBondContact NH2-OD1 3.5Å | ||
| 1283 | E | 34 | Very low | 44.2 | Very low | 109 Ų | 109 | 89.7 Ų | 89.7 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | trans | -93.1 | 126.9 | -178 | -80.9 | -167.1 | 167.5 | 0 | 0 | 111.2 | L1281 | L1281-E1283 PolarHBondContact O-N 3.08Š| ||
| 1284 | L | 38.4 | Very low | 46.5 | Very low | 103 Ų | 103 | 85 Ų | 85 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | trans | 82.2 | 103.3 | 168.8 | -51.1 | 171.9 | 0 | 0 | 0 | 115.2 | D1286 | L1284-D1286 PolarHBondContact O-N 3.48Š| ||
| 1285 | N | 42.8 | Very low | 48.7 | Very low | 98 Ų | 98 | 81.2 Ų | 81.2 | 52% | 0.524 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -66.8 | 15.9 | 161.8 | -146.3 | 20.4 | 0 | 0 | 0 | 112.7 | ||
| 1286 | D | 43.5 | Very low | 50.8 | Low | 113 Ų | 113 | 80 Ų | 80 | 60% | 0.604 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -109.1 | 118.7 | 170.4 | -78.2 | -30.3 | 0 | 0 | 0 | 107.8 | L1284 S1288 | L1284-D1286 PolarHBondContact O-N 3.48Å; D1286-S1288 PolarHBondContact O-N 3.28Å; D1286-S1288 PolarHBondContact O-OG 3.48Å |
| 1287 | L | 49.8 | Very low | 53.4 | Low | 103 Ų | 103 | 74.2 Ų | 74.2 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 20.9 | 164 | -89.1 | 73 | 0 | 0 | 0 | 113.5 | A1230 S1289 | A1230-L1287 HydrophobicContact CB-CB 4.41Å; A1230-L1287 HydrophobicContact CB-CD2 3.19Å; A1230-L1287 HydrophobicContact CB-CG 3.77Å; L1287-S1289 PolarHBondContact O-N 3.47Å |
| 1288 | S | 50.5 | Low | 55.9 | Low | 86 Ų | 86 | 75.8 Ų | 75.8 | 60% | 0.601 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -14.8 | -174.7 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | D1286 P1290 | D1286-S1288 PolarHBondContact O-N 3.28Å; D1286-S1288 PolarHBondContact O-OG 3.48Å; S1288-P1290 VanDerWaalsContact O-CD 3.3Å; S1288-P1290 WeakPolarHBondContact O-CD 3.23Å |
| 1289 | S | 59.2 | Low | 58.3 | Low | 50 Ų | 50 | 75.5 Ų | 75.5 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | trans | -104.5 | 98.1 | 176.3 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | L1287 Q1291 L1292 | L1287-S1289 PolarHBondContact O-N 3.47Å; S1289-Q1291 PolarHBondContact O-N 2.99Å; S1289-L1292 PolarHBondContact O-N 2.89Å; S1289-L1292 VanDerWaalsContact O-N 3.16Å; S1289-L1292 PolarHBondContact OG-N 3.35Å | ||
| 1290 | P | 71.2 | Confident | 60.5 | Low | 24 Ų | 24 | 68.5 Ų | 68.5 | 16% | 0.156 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.2 | -22.5 | 179.7 | 22.5 | -30.6 | 0 | 0 | 0 | 112.8 | Q1232 S1288 R1294 | Q1232-P1290 HydrophobicContact CB-CB 4.19Å; Q1232-P1290 HydrophobicContact CG-CB 4.47Å; S1288-P1290 VanDerWaalsContact O-CD 3.3Å; S1288-P1290 WeakPolarHBondContact O-CD 3.23Å; P1290-R1294 VanDerWaalsContact O-CG 3.29Å; P1290-R1294 WeakPolarHBondContact O-CG 3.35Å; P1290-R1294 PolarHBondContact O-N 3.28Å |
| 1291 | Q | 70.2 | Confident | 62.9 | Low | 123 Ų | 123 | 63.4 Ų | 63.4 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69 | -37.3 | 175.1 | -79.4 | 77.5 | 4.7 | 0 | 0 | 113.2 | S1289 R1294 S1295 | S1289-Q1291 PolarHBondContact O-N 2.99Å; Q1291-R1294 PolarHBondContact O-N 3.01Å; Q1291-S1295 PolarHBondContact O-N 3.28Å; Q1291-S1295 VanDerWaalsContact O-N 3.14Å |
| 1292 | L | 68.2 | Low | 65.4 | Low | 56 Ų | 56 | 62.5 Ų | 62.5 | 29% | 0.293 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 179.5 | -166 | 105 | 0 | 0 | 0 | 111 | S1289 R1294 S1295 I1296 | S1289-L1292 PolarHBondContact O-N 2.89Å; S1289-L1292 VanDerWaalsContact O-N 3.16Å; S1289-L1292 PolarHBondContact OG-N 3.35Å; L1292-R1294 VanDerWaalsContact C-N 3.29Å; L1292-R1294 PolarHBondContact O-N 3.16Å; L1292-S1295 PolarHBondContact O-N 3.28Å; L1292-S1295 PolarHBondContact O-OG 3.46Å; L1292-I1296 HydrophobicContact CD2-CD1 3.86Å; L1292-I1296 HydrophobicContact CG-CD1 4.17Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.48Å; L1292-I1296 PolarHBondContact O-N 3.49Å |
| 1293 | A | 73.3 | Confident | 67.5 | Low | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A1230 A1231 L1297 | A1230-A1293 HydrophobicContact CB-CB 3.74Å; A1231-A1293 HydrophobicContact CB-CB 4.06Å; A1293-L1297 VanDerWaalsContact O-CB 3.28Å; A1293-L1297 WeakPolarHBondContact O-CB 3.35Å; A1293-L1297 PolarHBondContact O-N 3.37Å |
| 1294 | R | 78.7 | Confident | 69.9 | Low | 59 Ų | 59 | 55.7 Ų | 55.7 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 176.4 | -69.7 | 170.9 | -164.2 | 167.7 | 2.5 | 112.7 | A1231 Q1232 I1233 P1290 Q1291 L1292 L1297 Q1298 | A1231-R1294 HydrophobicContact CB-CG 3.62Å; A1231-R1294 VanDerWaalsContact O-CZ 3.27Å; A1231-R1294 PolarHBondContact O-NE 3.28Å; A1231-R1294 PolarHBondContact O-NH2 3.08Å; Q1232-R1294 PolarHBondContact O-NH2 2.89Å; Q1232-R1294 VanDerWaalsContact O-NH2 3.14Å; I1233-R1294 HydrophobicContact CD1-CG 4.4Å; P1290-R1294 VanDerWaalsContact O-CG 3.29Å; P1290-R1294 WeakPolarHBondContact O-CG 3.35Å; P1290-R1294 PolarHBondContact O-N 3.28Å; Q1291-R1294 PolarHBondContact O-N 3.01Å; L1292-R1294 VanDerWaalsContact C-N 3.29Å; L1292-R1294 PolarHBondContact O-N 3.16Å; R1294-L1297 PolarHBondContact O-N 3.05Å; R1294-Q1298 WeakPolarHBondContact O-CB 3.4Å; R1294-Q1298 PolarHBondContact O-N 3.4Å |
| 1295 | S | 77.8 | Confident | 72 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 179.4 | 63 | 0 | 0 | 0 | 0 | 111.9 | Q1291 L1292 Q1298 I1299 | Q1291-S1295 PolarHBondContact O-N 3.28Å; Q1291-S1295 VanDerWaalsContact O-N 3.14Å; L1292-S1295 PolarHBondContact O-N 3.28Å; L1292-S1295 PolarHBondContact O-OG 3.46Å; S1295-Q1298 PolarHBondContact O-N 3.38Å; S1295-I1299 WeakPolarHBondContact O-CG1 3.29Å; S1295-I1299 PolarHBondContact O-N 3.28Å |
| 1296 | I | 77.8 | Confident | 73.9 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 22% | 0.221 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.2 | -67.5 | 168.9 | 0 | 0 | 0 | 110.4 | W1150 L1227 L1292 Q1298 I1299 I1300 | W1150-I1296 HydrophobicContact CB-CG2 4.18Å; L1227-I1296 HydrophobicContact CD1-CG2 4.23Å; L1227-I1296 HydrophobicContact CD2-CG2 4.22Å; L1292-I1296 HydrophobicContact CD2-CD1 3.86Å; L1292-I1296 HydrophobicContact CG-CD1 4.17Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.48Å; L1292-I1296 PolarHBondContact O-N 3.49Å; I1296-Q1298 VanDerWaalsContact C-N 3.32Å; I1296-Q1298 PolarHBondContact O-N 3.5Å; I1296-I1299 PolarHBondContact O-N 2.95Å; I1296-I1300 HydrophobicContact CG2-CD1 3.76Å; I1296-I1300 HydrophobicContact CG2-CG1 4.44Å; I1296-I1300 WeakPolarHBondContact O-CG1 3.23Å; I1296-I1300 PolarHBondContact O-N 2.99Å |
| 1297 | L | 83.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 178.6 | -176.9 | 61.5 | 0 | 0 | 0 | 111.8 | L1224 L1227 L1228 L1240 A1293 R1294 I1300 L1301 W1319 | L1224-L1297 HydrophobicContact CD2-CD1 3.68Å; L1227-L1297 HydrophobicContact CB-CD1 4.36Å; L1228-L1297 HydrophobicContact CD1-CD2 4.1Å; L1240-L1297 HydrophobicContact CD1-CD2 4.35Å; L1240-L1297 HydrophobicContact CD1-CG 4.49Å; L1240-L1297 HydrophobicContact CD2-CD2 3.58Å; A1293-L1297 VanDerWaalsContact O-CB 3.28Å; A1293-L1297 WeakPolarHBondContact O-CB 3.35Å; A1293-L1297 PolarHBondContact O-N 3.37Å; R1294-L1297 PolarHBondContact O-N 3.05Å; L1297-I1300 PolarHBondContact O-N 3.05Å; L1297-L1301 HydrophobicContact CG-CD1 4.28Å; L1297-L1301 VanDerWaalsContact O-CG 3.31Å; L1297-L1301 WeakPolarHBondContact O-CG 3.29Å; L1297-L1301 PolarHBondContact O-N 3.47Å; L1297-W1319 HydrophobicContact CD1-CH2 4.29Å; L1297-W1319 HydrophobicContact CD2-CH2 4.45Å |
| 1298 | Q | 81.4 | Confident | 77.2 | Confident | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177 | -170.3 | -178.8 | 15.6 | 0 | 0 | 112.1 | R1294 S1295 I1296 I1300 L1301 M1302 | R1294-Q1298 WeakPolarHBondContact O-CB 3.4Å; R1294-Q1298 PolarHBondContact O-N 3.4Å; S1295-Q1298 PolarHBondContact O-N 3.38Å; I1296-Q1298 VanDerWaalsContact C-N 3.32Å; I1296-Q1298 PolarHBondContact O-N 3.5Å; Q1298-I1300 VanDerWaalsContact C-N 3.34Å; Q1298-I1300 PolarHBondContact O-N 2.69Å; Q1298-L1301 PolarHBondContact O-N 3.08Å; Q1298-M1302 WeakPolarHBondContact O-CG 3.35Å; Q1298-M1302 PolarHBondContact O-N 2.74Å |
| 1299 | I | 82 | Confident | 78.9 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 33% | 0.328 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.4 | -71.6 | 170.3 | 0 | 0 | 0 | 110.7 | L1278 S1295 I1296 L1301 M1302 D1303 | L1278-I1299 HydrophobicContact CD2-CD1 3.36Å; S1295-I1299 WeakPolarHBondContact O-CG1 3.29Å; S1295-I1299 PolarHBondContact O-N 3.28Å; I1296-I1299 PolarHBondContact O-N 2.95Å; I1299-L1301 PolarHBondContact O-N 3.43Å; I1299-M1302 PolarHBondContact O-N 3.34Å; I1299-D1303 PolarHBondContact O-N 3.16Å |
| 1300 | I | 84.7 | Confident | 80.2 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 177.9 | -70.2 | 171.9 | 0 | 0 | 0 | 110.4 | W1150 R1151 V1154 L1224 L1227 I1296 L1297 Q1298 M1302 D1303 I1304 | W1150-I1300 HydrophobicContact CB-CD1 4.07Å; R1151-I1300 HydrophobicContact CB-CG1 4.46Å; V1154-I1300 HydrophobicContact CB-CG2 4.22Å; V1154-I1300 HydrophobicContact CG1-CG2 3.97Å; V1154-I1300 HydrophobicContact CG2-CD1 4.45Å; V1154-I1300 HydrophobicContact CG2-CG2 3.93Å; L1224-I1300 HydrophobicContact CD2-CG2 3.82Å; L1227-I1300 HydrophobicContact CD1-CD1 3.62Å; I1296-I1300 HydrophobicContact CG2-CD1 3.76Å; I1296-I1300 HydrophobicContact CG2-CG1 4.44Å; I1296-I1300 WeakPolarHBondContact O-CG1 3.23Å; I1296-I1300 PolarHBondContact O-N 2.99Å; L1297-I1300 PolarHBondContact O-N 3.05Å; Q1298-I1300 VanDerWaalsContact C-N 3.34Å; Q1298-I1300 PolarHBondContact O-N 2.69Å; I1300-M1302 VanDerWaalsContact C-N 3.31Å; I1300-M1302 PolarHBondContact O-N 3.18Å; I1300-D1303 PolarHBondContact O-N 3.31Å; I1300-D1303 VanDerWaalsContact O-N 3.14Å; I1300-I1304 HydrophobicContact CG2-CD1 4.04Å; I1300-I1304 WeakPolarHBondContact O-CG1 3.16Å; I1300-I1304 PolarHBondContact O-N 3.44Å |
| 1301 | L | 85.5 | Confident | 81 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 177.2 | -71 | 171.6 | 0 | 0 | 0 | 112.4 | L1240 L1297 Q1298 I1299 I1304 N1305 V1316 L1320 L1332 | L1240-L1301 HydrophobicContact CD1-CD1 3.38Å; L1297-L1301 HydrophobicContact CG-CD1 4.28Å; L1297-L1301 VanDerWaalsContact O-CG 3.31Å; L1297-L1301 WeakPolarHBondContact O-CG 3.29Å; L1297-L1301 PolarHBondContact O-N 3.47Å; Q1298-L1301 PolarHBondContact O-N 3.08Å; I1299-L1301 PolarHBondContact O-N 3.43Å; L1301-I1304 PolarHBondContact O-N 3.47Å; L1301-N1305 WeakPolarHBondContact O-CB 3.49Å; L1301-N1305 PolarHBondContact O-N 3.38Å; L1301-V1316 HydrophobicContact CD2-CG1 3.59Å; L1301-L1320 HydrophobicContact CD1-CD2 4.3Å; L1301-L1320 HydrophobicContact CD2-CD1 4.39Å; L1301-L1332 HydrophobicContact CB-CD2 4.28Å |
| 1302 | M | 83.9 | Confident | 81.8 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 174 | -71.9 | -159.5 | 80.8 | 0 | 0 | 112.4 | I1271 Q1298 I1299 I1300 N1305 K1306 | I1271-M1302 HydrophobicContact CD1-CE 4.25Å; I1271-M1302 HydrophobicContact CD1-SD 4.46Å; Q1298-M1302 WeakPolarHBondContact O-CG 3.35Å; Q1298-M1302 PolarHBondContact O-N 2.74Å; I1299-M1302 PolarHBondContact O-N 3.34Å; I1300-M1302 VanDerWaalsContact C-N 3.31Å; I1300-M1302 PolarHBondContact O-N 3.18Å; M1302-N1305 PolarHBondContact O-N 3.28Å; M1302-K1306 WeakPolarHBondContact O-CG 3.31Å; M1302-K1306 PolarHBondContact O-N 3.23Å |
| 1303 | D | 81.5 | Confident | 82.7 | Confident | 35 Ų | 35 | 39 Ų | 39 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.4 | -38 | 176.5 | -80.7 | -11.4 | 0 | 0 | 0 | 112.1 | R1151 I1299 I1300 N1305 K1306 | R1151-D1303 IonicContact CZ-OD2 3.42Å; R1151-D1303 IonicContact NE-OD2 3.89Å; R1151-D1303 PolarHBondContact NE-OD2 3.02Å; R1151-D1303 IonicContact NH2-OD1 2.75Å; R1151-D1303 IonicContact NH2-OD2 3.51Å; R1151-D1303 PolarHBondContact NH2-OD2 2.97Å; I1299-D1303 PolarHBondContact O-N 3.16Å; I1300-D1303 PolarHBondContact O-N 3.31Å; I1300-D1303 VanDerWaalsContact O-N 3.14Å; D1303-N1305 VanDerWaalsContact C-N 3.32Å; D1303-K1306 WeakPolarHBondContact O-CB 3.46Å; D1303-K1306 PolarHBondContact O-N 3.45Å; D1303-K1306 IonicContact OD1-NZ 3.7Å; D1303-K1306 PolarHBondContact OD1-NZ 2.98Å |
| 1304 | I | 83.8 | Confident | 83.5 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 172.7 | -62.3 | 169 | 0 | 0 | 0 | 110.1 | V1154 L1158 M1220 I1300 L1301 K1306 S1307 H1313 V1316 | V1154-I1304 HydrophobicContact CG1-CD1 4.02Å; V1154-I1304 HydrophobicContact CG1-CG1 4.17Å; L1158-I1304 HydrophobicContact CD1-CG1 4.43Å; M1220-I1304 HydrophobicContact SD-CD1 4.17Å; I1300-I1304 HydrophobicContact CG2-CD1 4.04Å; I1300-I1304 WeakPolarHBondContact O-CG1 3.16Å; I1300-I1304 PolarHBondContact O-N 3.44Å; L1301-I1304 PolarHBondContact O-N 3.47Å; I1304-K1306 PolarHBondContact O-N 2.86Å; I1304-K1306 VanDerWaalsContact O-N 3.15Å; I1304-S1307 VanDerWaalsContact O-CB 3.25Å; I1304-S1307 WeakPolarHBondContact O-CB 3.25Å; I1304-S1307 PolarHBondContact O-N 3.29Å; I1304-S1307 PolarHBondContact O-OG 2.96Å; I1304-H1313 PolarHBondContact O-NE2 3.31Å; I1304-V1316 HydrophobicContact CD1-CG2 3.88Å; I1304-V1316 HydrophobicContact CG2-CG2 4.06Å |
| 1305 | N | 82.5 | Confident | 83.9 | Confident | 51 Ų | 51 | 39 Ų | 39 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.4 | -19.1 | 178.4 | -165.4 | 33.4 | 0 | 0 | 0 | 113.7 | L1301 M1302 D1303 S1307 L1332 S1334 | L1301-N1305 WeakPolarHBondContact O-CB 3.49Å; L1301-N1305 PolarHBondContact O-N 3.38Å; M1302-N1305 PolarHBondContact O-N 3.28Å; D1303-N1305 VanDerWaalsContact C-N 3.32Å; N1305-S1307 VanDerWaalsContact C-N 3.35Å; N1305-L1332 PolarHBondContact ND2-O 3.45Å; N1305-S1334 WeakPolarHBondContact OD1-CB 3.38Å; N1305-S1334 PolarHBondContact OD1-OG 3.27Å |
| 1306 | K | 82.4 | Confident | 84.4 | Confident | 149 Ų | 149 | 37.8 Ų | 37.8 | 65% | 0.648 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.9 | 171.6 | -67 | 170.1 | -170.7 | 163.2 | 0 | 113 | M1302 D1303 I1304 | M1302-K1306 WeakPolarHBondContact O-CG 3.31Å; M1302-K1306 PolarHBondContact O-N 3.23Å; D1303-K1306 WeakPolarHBondContact O-CB 3.46Å; D1303-K1306 PolarHBondContact O-N 3.45Å; D1303-K1306 IonicContact OD1-NZ 3.7Å; D1303-K1306 PolarHBondContact OD1-NZ 2.98Å; I1304-K1306 PolarHBondContact O-N 2.86Å; I1304-K1306 VanDerWaalsContact O-N 3.15Å |
| 1307 | S | 81.7 | Confident | 85 | Confident | 23 Ų | 23 | 36 Ų | 36 | 16% | 0.161 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -79 | 142.9 | -178.7 | 79.1 | 0 | 0 | 0 | 0 | 111.3 | I1304 N1305 D1309 H1313 | I1304-S1307 VanDerWaalsContact O-CB 3.25Å; I1304-S1307 WeakPolarHBondContact O-CB 3.25Å; I1304-S1307 PolarHBondContact O-N 3.29Å; I1304-S1307 PolarHBondContact O-OG 2.96Å; N1305-S1307 VanDerWaalsContact C-N 3.35Å; S1307-D1309 PolarHBondContact O-N 3.26Å; S1307-H1313 PolarHBondContact O-NE2 3.21Å; S1307-H1313 PolarHBondContact OG-NE2 3.06Å |
| 1308 | D | 82 | Confident | 85.2 | Confident | 138 Ų | 138 | 38.7 Ų | 38.7 | 74% | 0.738 | 19% | 0.193 | S | C | * | . | trans | -80.1 | 5.2 | 178 | -58 | -43.9 | 0 | 0 | 0 | 113.5 | I1310 | D1308-I1310 PolarHBondContact O-N 3.01Š| ||
| 1309 | D | 85.3 | Confident | 85.6 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | trans | -88 | 102.3 | -173.3 | -165 | -21.7 | 0 | 0 | 0 | 112 | R1213 Y1217 S1307 L1311 A1312 H1313 | R1213-D1309 IonicContact CZ-OD2 3.98Å; R1213-D1309 IonicContact NE-OD2 2.96Å; R1213-D1309 IonicContact NH2-OD1 2.67Å; R1213-D1309 PolarHBondContact NH2-OD1 2.98Å; R1213-D1309 IonicContact NH2-OD2 3.61Å; R1213-D1309 PolarHBondContact NH2-OD2 3.23Å; Y1217-D1309 PolarHBondContact OH-OD1 3.33Å; Y1217-D1309 PolarHBondContact OH-OD2 2.97Å; S1307-D1309 PolarHBondContact O-N 3.26Å; D1309-L1311 PolarHBondContact O-N 3.47Å; D1309-L1311 PolarHBondContact OD1-N 3.01Å; D1309-L1311 VanDerWaalsContact OD1-N 3.09Å; D1309-A1312 HydrophobicContact CB-CB 3.99Å; D1309-A1312 PolarHBondContact O-N 3.26Å; D1309-H1313 PolarHBondContact O-CD2 3.02Å; D1309-H1313 PolarHBondContact O-N 2.67Å | ||
| 1310 | I | 86.5 | Confident | 85.8 | Confident | 36 Ų | 36 | 32.1 Ų | 32.1 | 19% | 0.185 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -37.6 | -178.8 | -59.3 | 168.8 | 0 | 0 | 0 | 111.6 | V1171 D1308 H1313 F1314 | V1171-I1310 HydrophobicContact CG1-CD1 4.45Å; D1308-I1310 PolarHBondContact O-N 3.01Å; I1310-H1313 PolarHBondContact O-N 3.5Å; I1310-F1314 HydrophobicContact CG2-CD1 3.96Å; I1310-F1314 HydrophobicContact CG2-CE1 3.59Å; I1310-F1314 HydrophobicContact CG2-CZ 4.05Å; I1310-F1314 WeakPolarHBondContact O-CD1 3.4Å; I1310-F1314 PolarHBondContact O-N 3.35Å |
| 1311 | L | 88.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.1 | -38 | -176.5 | -68 | 172.1 | 0 | 0 | 0 | 111.7 | A1170 V1171 L1174 Y1217 D1309 H1313 F1314 E1315 | A1170-L1311 HydrophobicContact CB-CD1 3.47Å; A1170-L1311 VanDerWaalsContact CB-CD1 3.47Å; V1171-L1311 HydrophobicContact CG2-CD1 3.62Å; V1171-L1311 HydrophobicContact CG2-CG 3.99Å; L1174-L1311 HydrophobicContact CB-CD2 4.43Å; L1174-L1311 HydrophobicContact CD2-CD2 3.58Å; Y1217-L1311 HydrophobicContact CE2-CB 3.63Å; D1309-L1311 PolarHBondContact O-N 3.47Å; D1309-L1311 PolarHBondContact OD1-N 3.01Å; D1309-L1311 VanDerWaalsContact OD1-N 3.09Å; L1311-H1313 VanDerWaalsContact C-N 3.28Å; L1311-H1313 PolarHBondContact O-N 2.88Å; L1311-F1314 WeakPolarHBondContact O-CB 3.28Å; L1311-F1314 PolarHBondContact O-N 3.41Å; L1311-F1314 VanDerWaalsContact O-N 3.16Å; L1311-E1315 PolarHBondContact O-N 2.97Å |
| 1312 | A | 86.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1158 Y1217 D1309 E1315 V1316 | L1158-A1312 HydrophobicContact CD2-CB 3.63Å; Y1217-A1312 HydrophobicContact CD1-CB 4.39Å; Y1217-A1312 HydrophobicContact CE1-CB 3.78Å; D1309-A1312 HydrophobicContact CB-CB 3.99Å; D1309-A1312 PolarHBondContact O-N 3.26Å; A1312-E1315 PolarHBondContact O-N 3.31Å; A1312-V1316 WeakPolarHBondContact O-CG2 3.42Å; A1312-V1316 PolarHBondContact O-N 3.4Å |
| 1313 | H | 88.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.8 | -74.5 | -135.5 | 0 | 0 | 0 | 111.3 | I1304 S1307 D1309 I1310 L1311 E1315 V1316 F1317 S1334 H1336 | I1304-H1313 PolarHBondContact O-NE2 3.31Å; S1307-H1313 PolarHBondContact O-NE2 3.21Å; S1307-H1313 PolarHBondContact OG-NE2 3.06Å; D1309-H1313 PolarHBondContact O-CD2 3.02Å; D1309-H1313 PolarHBondContact O-N 2.67Å; I1310-H1313 PolarHBondContact O-N 3.5Å; L1311-H1313 VanDerWaalsContact C-N 3.28Å; L1311-H1313 PolarHBondContact O-N 2.88Å; H1313-E1315 VanDerWaalsContact C-N 3.34Å; H1313-E1315 PolarHBondContact O-N 3.44Å; H1313-V1316 PolarHBondContact O-N 3.26Å; H1313-F1317 HydrophobicContact CB-CD2 4.43Å; H1313-F1317 HydrophobicContact CB-CE2 3.73Å; H1313-F1317 HydrophobicContact CB-CZ 3.95Å; H1313-F1317 WeakPolarHBondContact O-CD2 3.02Å; H1313-F1317 WeakPolarHBondContact O-CE2 3.1Å; H1313-F1317 WeakPolarHBondContact O-CG 3.48Å; H1313-F1317 PolarHBondContact O-N 3.41Å; H1313-S1334 PolarHBondContact CE1-OG 3.36Å; H1313-S1334 PolarHBondContact ND1-OG 3.38Å; H1313-H1336 HydrophobicContact CB-CB 4.27Å; H1313-H1336 AromaticContact CE1-CD2 3.91Å; H1313-H1336 AromaticContact ND1-CD2 3.57Å |
| 1314 | F | 89.3 | Confident | 85.7 | Confident | 20 Ų | 20 | 37 Ų | 37 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 179.6 | -81.6 | 30.7 | 0 | 0 | 0 | 111.4 | L1174 I1310 L1311 F1317 N1318 H1336 A1339 Y1340 | L1174-F1314 HydrophobicContact CD1-CD2 4.49Å; L1174-F1314 HydrophobicContact CD1-CE2 4.17Å; L1174-F1314 HydrophobicContact CD2-CD2 3.82Å; L1174-F1314 HydrophobicContact CD2-CE2 3.52Å; L1174-F1314 HydrophobicContact CD2-CZ 4.16Å; L1174-F1314 HydrophobicContact CG-CE2 4.34Å; I1310-F1314 HydrophobicContact CG2-CD1 3.96Å; I1310-F1314 HydrophobicContact CG2-CE1 3.59Å; I1310-F1314 HydrophobicContact CG2-CZ 4.05Å; I1310-F1314 WeakPolarHBondContact O-CD1 3.4Å; I1310-F1314 PolarHBondContact O-N 3.35Å; L1311-F1314 WeakPolarHBondContact O-CB 3.28Å; L1311-F1314 PolarHBondContact O-N 3.41Å; L1311-F1314 VanDerWaalsContact O-N 3.16Å; F1314-F1317 PolarHBondContact O-N 3.43Å; F1314-N1318 VanDerWaalsContact O-CB 3.3Å; F1314-N1318 WeakPolarHBondContact O-CB 3.37Å; F1314-N1318 PolarHBondContact O-N 2.82Å; F1314-H1336 HydrophobicContact CE1-CB 4.43Å; F1314-A1339 HydrophobicContact CE1-CB 4.4Å; F1314-A1339 HydrophobicContact CZ-CB 4.2Å; F1314-Y1340 HydrophobicContact CB-CD2 3.74Å; F1314-Y1340 HydrophobicContact CB-CE2 4.22Å; F1314-Y1340 AromaticContact CD1-CD2 3.97Å; F1314-Y1340 HydrophobicContact CD1-CD2 3.97Å; F1314-Y1340 HydrophobicContact CD1-CG 4.33Å; F1314-Y1340 AromaticContact CD2-CD2 3.75Å; F1314-Y1340 HydrophobicContact CD2-CD2 3.75Å; F1314-Y1340 HydrophobicContact CE1-CD2 4.5Å; F1314-Y1340 HydrophobicContact CE2-CD2 4.29Å; F1314-Y1340 AromaticContact CG-CD2 3.56Å; F1314-Y1340 HydrophobicContact CG-CD2 3.56Å; F1314-Y1340 HydrophobicContact CG-CE2 4.45Å; F1314-Y1340 HydrophobicContact CG-CG 4.36Å; F1314-Y1340 VanDerWaalsContact CZ-CA 3.45Å; F1314-Y1340 VanDerWaalsContact O-CE2 3.29Å; F1314-Y1340 WeakPolarHBondContact O-CE2 3.43Å |
| 1315 | E | 88.3 | Confident | 85.6 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.9 | -38.8 | 177.3 | -74.8 | -55.3 | 155.2 | 0 | 0 | 113.2 | Y1214 Y1217 L1311 A1312 H1313 N1318 W1319 | Y1214-E1315 HydrophobicContact CD1-CG 4.32Å; Y1214-E1315 HydrophobicContact CE1-CG 4.2Å; Y1214-E1315 VanDerWaalsContact CE1-OE1 3.24Å; Y1214-E1315 WeakPolarHBondContact CE1-OE1 3.33Å; Y1217-E1315 HydrophobicContact CD2-CG 4.16Å; Y1217-E1315 HydrophobicContact CG-CG 4.4Å; L1311-E1315 PolarHBondContact O-N 2.97Å; A1312-E1315 PolarHBondContact O-N 3.31Å; H1313-E1315 VanDerWaalsContact C-N 3.34Å; H1313-E1315 PolarHBondContact O-N 3.44Å; E1315-N1318 WeakPolarHBondContact O-CB 3.47Å; E1315-N1318 PolarHBondContact O-N 3.33Å; E1315-N1318 PolarHBondContact OE2-ND2 3.33Å; E1315-W1319 WeakPolarHBondContact O-CB 3.37Å; E1315-W1319 PolarHBondContact O-N 3.13Å |
| 1316 | V | 88.2 | Confident | 85.4 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 175 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | M1220 L1224 L1301 I1304 A1312 H1313 W1319 L1320 | M1220-V1316 HydrophobicContact CE-CG2 3.92Å; L1224-V1316 HydrophobicContact CD1-CG2 4.42Å; L1301-V1316 HydrophobicContact CD2-CG1 3.59Å; I1304-V1316 HydrophobicContact CD1-CG2 3.88Å; I1304-V1316 HydrophobicContact CG2-CG2 4.06Å; A1312-V1316 WeakPolarHBondContact O-CG2 3.42Å; A1312-V1316 PolarHBondContact O-N 3.4Å; H1313-V1316 PolarHBondContact O-N 3.26Å; V1316-W1319 PolarHBondContact O-N 3.16Å; V1316-L1320 HydrophobicContact CG1-CD1 3.89Å; V1316-L1320 HydrophobicContact CG1-CG 4.26Å; V1316-L1320 WeakPolarHBondContact O-CB 3.35Å; V1316-L1320 VanDerWaalsContact O-CG 3.31Å; V1316-L1320 WeakPolarHBondContact O-CG 3.34Å; V1316-L1320 PolarHBondContact O-N 3.45Å |
| 1317 | F | 89.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 173.3 | -58.9 | -33.8 | 0 | 0 | 0 | 111.4 | H1313 F1314 W1319 L1320 L1321 V1329 S1334 H1336 F1337 Y1340 | H1313-F1317 HydrophobicContact CB-CD2 4.43Å; H1313-F1317 HydrophobicContact CB-CE2 3.73Å; H1313-F1317 HydrophobicContact CB-CZ 3.95Å; H1313-F1317 WeakPolarHBondContact O-CD2 3.02Å; H1313-F1317 WeakPolarHBondContact O-CE2 3.1Å; H1313-F1317 WeakPolarHBondContact O-CG 3.48Å; H1313-F1317 PolarHBondContact O-N 3.41Å; F1314-F1317 PolarHBondContact O-N 3.43Å; F1317-W1319 VanDerWaalsContact C-N 3.33Å; F1317-W1319 PolarHBondContact O-N 3.2Å; F1317-L1320 PolarHBondContact O-N 2.86Å; F1317-L1321 WeakPolarHBondContact O-CB 3.33Å; F1317-L1321 WeakPolarHBondContact O-CG 3.45Å; F1317-L1321 PolarHBondContact O-N 3.41Å; F1317-V1329 HydrophobicContact CD1-CG1 3.81Å; F1317-V1329 HydrophobicContact CE1-CG1 4.36Å; F1317-V1329 HydrophobicContact CG-CG1 4.45Å; F1317-S1334 VanDerWaalsContact CZ-CB 3.47Å; F1317-H1336 HydrophobicContact CE2-CB 4.41Å; F1317-F1337 HydrophobicContact CB-CD2 4.34Å; F1317-F1337 HydrophobicContact CB-CE2 4.48Å; F1317-F1337 HydrophobicContact CD1-CD2 4.11Å; F1317-F1337 HydrophobicContact CD2-CB 4.49Å; F1317-F1337 AromaticContact CD2-CD2 3.82Å; F1317-F1337 HydrophobicContact CD2-CD2 3.82Å; F1317-F1337 HydrophobicContact CE1-CD2 4.45Å; F1317-F1337 HydrophobicContact CE2-CB 4.01Å; F1317-F1337 HydrophobicContact CE2-CD2 4.17Å; F1317-F1337 AromaticContact CG-CD2 3.82Å; F1317-F1337 HydrophobicContact CG-CD2 3.82Å; F1317-F1337 HydrophobicContact CG-CE2 4.39Å; F1317-F1337 HydrophobicContact CZ-CB 4.13Å; F1317-Y1340 HydrophobicContact CB-CD1 3.9Å; F1317-Y1340 HydrophobicContact CB-CD2 4.5Å; F1317-Y1340 HydrophobicContact CB-CE1 3.93Å; F1317-Y1340 HydrophobicContact CB-CG 4.2Å; F1317-Y1340 HydrophobicContact CD2-CD1 4.22Å; F1317-Y1340 HydrophobicContact CD2-CD2 4.5Å; F1317-Y1340 AromaticContact CD2-CG 3.93Å; F1317-Y1340 HydrophobicContact CD2-CG 3.93Å; F1317-Y1340 HydrophobicContact CG-CD1 4.49Å |
| 1318 | N | 88.8 | Confident | 85 | Confident | 56 Ų | 56 | 30 Ų | 30 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 174.6 | -172.7 | 43.6 | 0 | 0 | 0 | 111.1 | F1314 E1315 L1321 S1322 Y1340 | F1314-N1318 VanDerWaalsContact O-CB 3.3Å; F1314-N1318 WeakPolarHBondContact O-CB 3.37Å; F1314-N1318 PolarHBondContact O-N 2.82Å; E1315-N1318 WeakPolarHBondContact O-CB 3.47Å; E1315-N1318 PolarHBondContact O-N 3.33Å; E1315-N1318 PolarHBondContact OE2-ND2 3.33Å; N1318-L1321 PolarHBondContact O-N 3.06Å; N1318-S1322 PolarHBondContact O-N 3.45Å; N1318-S1322 PolarHBondContact O-OG 2.81Å; N1318-Y1340 WeakPolarHBondContact CA-OH 3.41Å; N1318-Y1340 HydrophobicContact CB-CE2 4.31Å; N1318-Y1340 WeakPolarHBondContact CB-OH 3.38Å; N1318-Y1340 PolarHBondContact OD1-OH 2.94Å |
| 1319 | W | 88.9 | Confident | 85 | Confident | 15 Ų | 15 | 23.6 Ų | 23.6 | 6% | 0.057 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.9 | 179 | 82.4 | 0 | 0 | 0 | 113.2 | T1221 L1224 D1225 L1228 L1297 E1315 V1316 F1317 L1321 S1322 N1323 | T1221-W1319 HydrophobicContact CG2-CB 4.03Å; T1221-W1319 HydrophobicContact CG2-CG 4.14Å; L1224-W1319 HydrophobicContact CB-CD2 4.39Å; L1224-W1319 HydrophobicContact CB-CH2 3.93Å; L1224-W1319 HydrophobicContact CB-CZ2 3.67Å; L1224-W1319 HydrophobicContact CB-CZ3 4.36Å; L1224-W1319 HydrophobicContact CD1-CD2 4.41Å; L1224-W1319 HydrophobicContact CD1-CE3 4.25Å; L1224-W1319 HydrophobicContact CD1-CZ3 4.45Å; D1225-W1319 PolarHBondContact OD1-NE1 3.05Å; L1228-W1319 HydrophobicContact CB-CH2 4.15Å; L1228-W1319 HydrophobicContact CB-CZ2 3.94Å; L1228-W1319 HydrophobicContact CD1-CH2 4.45Å; L1228-W1319 HydrophobicContact CD2-CH2 4.1Å; L1228-W1319 HydrophobicContact CD2-CZ2 3.77Å; L1228-W1319 HydrophobicContact CG-CH2 4.47Å; L1228-W1319 HydrophobicContact CG-CZ2 4.38Å; L1297-W1319 HydrophobicContact CD1-CH2 4.29Å; L1297-W1319 HydrophobicContact CD2-CH2 4.45Å; E1315-W1319 WeakPolarHBondContact O-CB 3.37Å; E1315-W1319 PolarHBondContact O-N 3.13Å; V1316-W1319 PolarHBondContact O-N 3.16Å; F1317-W1319 VanDerWaalsContact C-N 3.33Å; F1317-W1319 PolarHBondContact O-N 3.2Å; W1319-L1321 VanDerWaalsContact C-N 3.32Å; W1319-L1321 PolarHBondContact O-N 3.26Å; W1319-S1322 WeakPolarHBondContact CA-OG 3.45Å; W1319-S1322 PolarHBondContact O-N 2.66Å; W1319-S1322 PolarHBondContact O-OG 3.36Å; W1319-N1323 WeakPolarHBondContact CZ2-ND2 3.39Å; W1319-N1323 PolarHBondContact NE1-ND2 2.95Å; W1319-N1323 VanDerWaalsContact NE1-ND2 3.16Å; W1319-N1323 WeakPolarHBondContact O-CB 3.49Å; W1319-N1323 PolarHBondContact O-N 2.97Å; W1319-N1323 VanDerWaalsContact O-N 3.13Å; W1319-N1323 PolarHBondContact O-ND2 3.45Å |
| 1320 | L | 86.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 177.2 | -74 | 170.8 | 0 | 0 | 0 | 111.7 | L1301 V1316 F1317 N1323 G1324 L1325 V1329 L1332 | L1301-L1320 HydrophobicContact CD1-CD2 4.3Å; L1301-L1320 HydrophobicContact CD2-CD1 4.39Å; V1316-L1320 HydrophobicContact CG1-CD1 3.89Å; V1316-L1320 HydrophobicContact CG1-CG 4.26Å; V1316-L1320 WeakPolarHBondContact O-CB 3.35Å; V1316-L1320 VanDerWaalsContact O-CG 3.31Å; V1316-L1320 WeakPolarHBondContact O-CG 3.34Å; V1316-L1320 PolarHBondContact O-N 3.45Å; F1317-L1320 PolarHBondContact O-N 2.86Å; L1320-N1323 PolarHBondContact O-N 3.34Å; L1320-G1324 PolarHBondContact O-N 3.18Å; L1320-L1325 HydrophobicContact CB-CB 4.49Å; L1320-L1325 HydrophobicContact CD2-CB 4.05Å; L1320-L1325 HydrophobicContact CD2-CD1 3.71Å; L1320-L1325 PolarHBondContact O-N 3.36Å; L1320-V1329 HydrophobicContact CB-CG2 3.34Å; L1320-V1329 HydrophobicContact CD1-CG2 3.57Å; L1320-V1329 HydrophobicContact CG-CG2 4.05Å; L1320-L1332 HydrophobicContact CD1-CD1 3.74Å |
| 1321 | L | 86.4 | Confident | 84.2 | Confident | 34 Ų | 34 | 28 Ų | 28 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71 | -39.3 | 178.1 | -68.9 | 176.3 | 0 | 0 | 0 | 112.4 | F1317 N1318 W1319 N1323 G1324 T1326 V1329 Y1340 L1354 L1357 | F1317-L1321 WeakPolarHBondContact O-CB 3.33Å; F1317-L1321 WeakPolarHBondContact O-CG 3.45Å; F1317-L1321 PolarHBondContact O-N 3.41Å; N1318-L1321 PolarHBondContact O-N 3.06Å; W1319-L1321 VanDerWaalsContact C-N 3.32Å; W1319-L1321 PolarHBondContact O-N 3.26Å; L1321-N1323 PolarHBondContact O-N 3Å; L1321-G1324 PolarHBondContact O-N 3.03Å; L1321-T1326 HydrophobicContact CD2-CG2 4.01Å; L1321-V1329 HydrophobicContact CD2-CG2 4.44Å; L1321-Y1340 HydrophobicContact CD1-CE1 3.74Å; L1321-L1354 HydrophobicContact CD1-CD2 4.1Å; L1321-L1357 HydrophobicContact CD1-CD1 4.21Å; L1321-L1357 HydrophobicContact CD2-CD1 3.39Å; L1321-L1357 HydrophobicContact CG-CD1 4.45Å |
| 1322 | S | 85.5 | Confident | 83.6 | Confident | 88 Ų | 88 | 29.6 Ų | 29.6 | 62% | 0.615 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -63.8 | -30 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | N1318 W1319 | N1318-S1322 PolarHBondContact O-N 3.45Å; N1318-S1322 PolarHBondContact O-OG 2.81Å; W1319-S1322 WeakPolarHBondContact CA-OG 3.45Å; W1319-S1322 PolarHBondContact O-N 2.66Å; W1319-S1322 PolarHBondContact O-OG 3.36Å |
| 1323 | N | 81.7 | Confident | 83.1 | Confident | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.9 | 177.2 | -72.7 | -33.7 | 0 | 0 | 0 | 114.1 | L1228 W1319 L1320 L1321 L1325 | L1228-N1323 HydrophobicContact CD2-CB 4.02Å; L1228-N1323 WeakPolarHBondContact CD2-ND2 3.41Å; W1319-N1323 WeakPolarHBondContact CZ2-ND2 3.39Å; W1319-N1323 PolarHBondContact NE1-ND2 2.95Å; W1319-N1323 VanDerWaalsContact NE1-ND2 3.16Å; W1319-N1323 WeakPolarHBondContact O-CB 3.49Å; W1319-N1323 PolarHBondContact O-N 2.97Å; W1319-N1323 VanDerWaalsContact O-N 3.13Å; W1319-N1323 PolarHBondContact O-ND2 3.45Å; L1320-N1323 PolarHBondContact O-N 3.34Å; L1321-N1323 PolarHBondContact O-N 3Å; N1323-L1325 VanDerWaalsContact C-N 3.29Å; N1323-L1325 HydrophobicContact CB-CD1 4.46Å; N1323-L1325 PolarHBondContact O-N 3Å |
| 1324 | G | 79.6 | Confident | 82.8 | Confident | 35 Ų | 35 | 35.4 Ų | 35.4 | 36% | 0.361 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 3.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1320 L1321 T1326 | L1320-G1324 PolarHBondContact O-N 3.18Å; L1321-G1324 PolarHBondContact O-N 3.03Å; G1324-T1326 PolarHBondContact O-N 2.99Å |
| 1325 | L | 81.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | trans | -80.7 | 47.5 | -174.8 | -65.5 | 171 | 0 | 0 | 0 | 113.2 | L1228 L1240 L1320 N1323 D1327 T1328 V1329 | L1228-L1325 HydrophobicContact CD1-CD1 4.2Å; L1240-L1325 HydrophobicContact CD2-CD1 3.92Å; L1240-L1325 HydrophobicContact CD2-CD2 4.32Å; L1240-L1325 HydrophobicContact CG-CD1 4.19Å; L1240-L1325 HydrophobicContact CG-CD2 4.32Å; L1320-L1325 HydrophobicContact CB-CB 4.49Å; L1320-L1325 HydrophobicContact CD2-CB 4.05Å; L1320-L1325 HydrophobicContact CD2-CD1 3.71Å; L1320-L1325 PolarHBondContact O-N 3.36Å; N1323-L1325 VanDerWaalsContact C-N 3.29Å; N1323-L1325 HydrophobicContact CB-CD1 4.46Å; N1323-L1325 PolarHBondContact O-N 3Å; L1325-D1327 PolarHBondContact O-N 2.91Å; L1325-T1328 HydrophobicContact CB-CG2 4.41Å; L1325-T1328 WeakPolarHBondContact CB-OG1 3.39Å; L1325-T1328 HydrophobicContact CD2-CG2 4.47Å; L1325-T1328 PolarHBondContact O-N 3.34Å; L1325-T1328 PolarHBondContact O-OG1 2.93Å; L1325-V1329 PolarHBondContact O-N 3.11Å | ||
| 1326 | T | 79.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | -172 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | L1321 G1324 V1329 M1330 L1357 | L1321-T1326 HydrophobicContact CD2-CG2 4.01Å; G1324-T1326 PolarHBondContact O-N 2.99Å; T1326-V1329 PolarHBondContact O-N 3.45Å; T1326-M1330 PolarHBondContact O-N 2.97Å; T1326-L1357 HydrophobicContact CG2-CD2 4.18Å |
| 1327 | D | 77.1 | Confident | 82.1 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.2 | -31.8 | -178 | -66.7 | -31.4 | 0 | 0 | 0 | 111.9 | T1238 Y1239 L1325 V1329 M1330 L1331 | T1238-D1327 WeakPolarHBondContact CB-OD2 3.41Å; T1238-D1327 PolarHBondContact O-N 3.09Å; T1238-D1327 PolarHBondContact OG1-OD2 2.98Å; Y1239-D1327 HydrophobicContact CD1-CB 3.95Å; Y1239-D1327 HydrophobicContact CD2-CB 4.33Å; Y1239-D1327 HydrophobicContact CE1-CB 3.49Å; Y1239-D1327 VanDerWaalsContact CE1-CB 3.49Å; Y1239-D1327 HydrophobicContact CE2-CB 3.89Å; Y1239-D1327 WeakPolarHBondContact CE2-OD2 3.15Å; Y1239-D1327 HydrophobicContact CG-CB 4.34Å; Y1239-D1327 VanDerWaalsContact CZ-CB 3.42Å; Y1239-D1327 PolarHBondContact OH-OD2 2.95Å; Y1239-D1327 VanDerWaalsContact OH-OD2 3.14Å; L1325-D1327 PolarHBondContact O-N 2.91Å; D1327-V1329 VanDerWaalsContact C-N 3.33Å; D1327-V1329 PolarHBondContact O-N 3.06Å; D1327-M1330 PolarHBondContact O-N 3.32Å; D1327-L1331 WeakPolarHBondContact O-CB 3.31Å; D1327-L1331 PolarHBondContact O-N 3.21Å |
| 1328 | T | 78.3 | Confident | 82 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | T1238 L1240 L1325 M1330 L1331 L1332 | T1238-T1328 WeakPolarHBondContact O-CG2 3.33Å; T1238-T1328 PolarHBondContact O-N 2.78Å; L1240-T1328 HydrophobicContact CB-CG2 3.98Å; L1240-T1328 HydrophobicContact CD1-CG2 4.13Å; L1240-T1328 HydrophobicContact CG-CG2 3.81Å; L1325-T1328 HydrophobicContact CB-CG2 4.41Å; L1325-T1328 WeakPolarHBondContact CB-OG1 3.39Å; L1325-T1328 HydrophobicContact CD2-CG2 4.47Å; L1325-T1328 PolarHBondContact O-N 3.34Å; L1325-T1328 PolarHBondContact O-OG1 2.93Å; T1328-M1330 VanDerWaalsContact C-N 3.3Å; T1328-M1330 PolarHBondContact O-N 3.49Å; T1328-L1331 WeakPolarHBondContact O-CB 3.46Å; T1328-L1331 PolarHBondContact O-N 2.87Å; T1328-L1331 VanDerWaalsContact O-N 3.16Å; T1328-L1332 WeakPolarHBondContact O-CG 3.37Å; T1328-L1332 PolarHBondContact O-N 2.55Å |
| 1329 | V | 80.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | F1317 L1320 L1321 L1325 T1326 D1327 L1331 L1332 F1337 | F1317-V1329 HydrophobicContact CD1-CG1 3.81Å; F1317-V1329 HydrophobicContact CE1-CG1 4.36Å; F1317-V1329 HydrophobicContact CG-CG1 4.45Å; L1320-V1329 HydrophobicContact CB-CG2 3.34Å; L1320-V1329 HydrophobicContact CD1-CG2 3.57Å; L1320-V1329 HydrophobicContact CG-CG2 4.05Å; L1321-V1329 HydrophobicContact CD2-CG2 4.44Å; L1325-V1329 PolarHBondContact O-N 3.11Å; T1326-V1329 PolarHBondContact O-N 3.45Å; D1327-V1329 VanDerWaalsContact C-N 3.33Å; D1327-V1329 PolarHBondContact O-N 3.06Å; V1329-L1331 VanDerWaalsContact C-N 3.35Å; V1329-L1332 PolarHBondContact O-N 3.02Å; V1329-F1337 HydrophobicContact CB-CZ 4.49Å; V1329-F1337 HydrophobicContact CG1-CD1 4.35Å; V1329-F1337 HydrophobicContact CG1-CD2 3.55Å; V1329-F1337 HydrophobicContact CG1-CE1 4.06Å; V1329-F1337 HydrophobicContact CG1-CE2 3.22Å; V1329-F1337 HydrophobicContact CG1-CG 4.13Å; V1329-F1337 HydrophobicContact CG1-CZ 3.49Å; V1329-F1337 VanDerWaalsContact CG1-CZ 3.49Å |
| 1330 | M | 77.4 | Confident | 81.7 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -36.3 | 175.5 | -64 | -149.7 | 82.1 | 0 | 0 | 112.2 | T1326 D1327 T1328 N1333 R1360 L1361 R1364 | T1326-M1330 PolarHBondContact O-N 2.97Å; D1327-M1330 PolarHBondContact O-N 3.32Å; T1328-M1330 VanDerWaalsContact C-N 3.3Å; T1328-M1330 PolarHBondContact O-N 3.49Å; M1330-N1333 PolarHBondContact O-N 3.34Å; M1330-R1360 HydrophobicContact CE-CB 3.87Å; M1330-R1360 HydrophobicContact SD-CB 4.05Å; M1330-L1361 HydrophobicContact CE-CB 4.21Å; M1330-L1361 HydrophobicContact CE-CD1 4.47Å; M1330-R1364 PolarHBondContact O-NH1 3.33Å |
| 1331 | L | 78.2 | Confident | 81.7 | Confident | 109 Ų | 109 | 40.1 Ų | 40.1 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.8 | -35 | 177.2 | -96.2 | 146.7 | 0 | 0 | 0 | 113.3 | Y1239 D1327 T1328 V1329 N1333 | Y1239-L1331 HydrophobicContact CD1-CD1 3.71Å; Y1239-L1331 HydrophobicContact CE1-CD1 3.58Å; D1327-L1331 WeakPolarHBondContact O-CB 3.31Å; D1327-L1331 PolarHBondContact O-N 3.21Å; T1328-L1331 WeakPolarHBondContact O-CB 3.46Å; T1328-L1331 PolarHBondContact O-N 2.87Å; T1328-L1331 VanDerWaalsContact O-N 3.16Å; V1329-L1331 VanDerWaalsContact C-N 3.35Å; L1331-N1333 PolarHBondContact O-N 3.29Å |
| 1332 | L | 76.1 | Confident | 81.7 | Confident | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -23.3 | 177.3 | -72.9 | 167.9 | 0 | 0 | 0 | 112.8 | L1301 N1305 L1320 T1328 V1329 S1334 | L1301-L1332 HydrophobicContact CB-CD2 4.28Å; N1305-L1332 PolarHBondContact ND2-O 3.45Å; L1320-L1332 HydrophobicContact CD1-CD1 3.74Å; T1328-L1332 WeakPolarHBondContact O-CG 3.37Å; T1328-L1332 PolarHBondContact O-N 2.55Å; V1329-L1332 PolarHBondContact O-N 3.02Å; L1332-S1334 VanDerWaalsContact C-N 3.26Å; L1332-S1334 PolarHBondContact O-N 3.23Å; L1332-S1334 VanDerWaalsContact O-N 3.15Å |
| 1333 | N | 76.2 | Confident | 81.7 | Confident | 114 Ų | 114 | 40.1 Ų | 40.1 | 61% | 0.61 | 24% | 0.235 | S | C | * | . | trans | 47 | 43.6 | 174.9 | -166.3 | 44.1 | 0 | 0 | 0 | 114.2 | M1330 L1331 | M1330-N1333 PolarHBondContact O-N 3.34Å; L1331-N1333 PolarHBondContact O-N 3.29Å | ||
| 1334 | S | 81.1 | Confident | 81.7 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -75.7 | 140.4 | -177.4 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | N1305 H1313 F1317 L1332 H1336 F1337 | N1305-S1334 WeakPolarHBondContact OD1-CB 3.38Å; N1305-S1334 PolarHBondContact OD1-OG 3.27Å; H1313-S1334 PolarHBondContact CE1-OG 3.36Å; H1313-S1334 PolarHBondContact ND1-OG 3.38Å; F1317-S1334 VanDerWaalsContact CZ-CB 3.47Å; L1332-S1334 VanDerWaalsContact C-N 3.26Å; L1332-S1334 PolarHBondContact O-N 3.23Å; L1332-S1334 VanDerWaalsContact O-N 3.15Å; S1334-H1336 PolarHBondContact O-N 3.47Å; S1334-H1336 VanDerWaalsContact O-N 3.15Å; S1334-F1337 PolarHBondContact O-N 3.4Å | ||
| 1335 | A | 80.9 | Confident | 81.9 | Confident | 91 Ų | 91 | 40.9 Ų | 40.9 | 75% | 0.752 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1336 | H | 84.9 | Confident | 81.9 | Confident | 52 Ų | 52 | 50.8 Ų | 50.8 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -5.7 | -176.8 | -58.6 | -47 | 0 | 0 | 0 | 114.4 | H1313 F1314 F1317 S1334 E1338 A1339 Y1340 | H1313-H1336 HydrophobicContact CB-CB 4.27Å; H1313-H1336 AromaticContact CE1-CD2 3.91Å; H1313-H1336 AromaticContact ND1-CD2 3.57Å; F1314-H1336 HydrophobicContact CE1-CB 4.43Å; F1317-H1336 HydrophobicContact CE2-CB 4.41Å; S1334-H1336 PolarHBondContact O-N 3.47Å; S1334-H1336 VanDerWaalsContact O-N 3.15Å; H1336-E1338 PolarHBondContact O-N 3.26Å; H1336-A1339 PolarHBondContact O-N 3Å; H1336-Y1340 PolarHBondContact O-N 3.41Å |
| 1337 | F | 86.1 | Confident | 81.8 | Confident | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.022 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | -175.7 | -175.2 | -125.5 | 0 | 0 | 0 | 112.9 | F1317 V1329 S1334 A1339 Y1340 L1341 L1361 | F1317-F1337 HydrophobicContact CB-CD2 4.34Å; F1317-F1337 HydrophobicContact CB-CE2 4.48Å; F1317-F1337 HydrophobicContact CD1-CD2 4.11Å; F1317-F1337 HydrophobicContact CD2-CB 4.49Å; F1317-F1337 AromaticContact CD2-CD2 3.82Å; F1317-F1337 HydrophobicContact CD2-CD2 3.82Å; F1317-F1337 HydrophobicContact CE1-CD2 4.45Å; F1317-F1337 HydrophobicContact CE2-CB 4.01Å; F1317-F1337 HydrophobicContact CE2-CD2 4.17Å; F1317-F1337 AromaticContact CG-CD2 3.82Å; F1317-F1337 HydrophobicContact CG-CD2 3.82Å; F1317-F1337 HydrophobicContact CG-CE2 4.39Å; F1317-F1337 HydrophobicContact CZ-CB 4.13Å; V1329-F1337 HydrophobicContact CB-CZ 4.49Å; V1329-F1337 HydrophobicContact CG1-CD1 4.35Å; V1329-F1337 HydrophobicContact CG1-CD2 3.55Å; V1329-F1337 HydrophobicContact CG1-CE1 4.06Å; V1329-F1337 HydrophobicContact CG1-CE2 3.22Å; V1329-F1337 HydrophobicContact CG1-CG 4.13Å; V1329-F1337 HydrophobicContact CG1-CZ 3.49Å; V1329-F1337 VanDerWaalsContact CG1-CZ 3.49Å; S1334-F1337 PolarHBondContact O-N 3.4Å; F1337-A1339 VanDerWaalsContact C-N 3.34Å; F1337-A1339 PolarHBondContact O-N 3.46Å; F1337-Y1340 HydrophobicContact CD2-CD1 4.3Å; F1337-Y1340 HydrophobicContact CE2-CD1 4.26Å; F1337-Y1340 WeakPolarHBondContact O-CB 3.46Å; F1337-Y1340 PolarHBondContact O-N 3.37Å; F1337-L1341 HydrophobicContact CD1-CD1 4.16Å; F1337-L1341 HydrophobicContact CD2-CG 4.41Å; F1337-L1341 HydrophobicContact CE1-CD1 3.67Å; F1337-L1341 HydrophobicContact CE1-CG 4.32Å; F1337-L1341 HydrophobicContact CE2-CD1 4.23Å; F1337-L1341 HydrophobicContact CE2-CD2 4.06Å; F1337-L1341 HydrophobicContact CE2-CG 4Å; F1337-L1341 HydrophobicContact CZ-CD1 3.71Å; F1337-L1341 HydrophobicContact CZ-CD2 4.02Å; F1337-L1341 HydrophobicContact CZ-CG 3.97Å; F1337-L1341 WeakPolarHBondContact O-CG 3.49Å; F1337-L1341 PolarHBondContact O-N 3.1Å; F1337-L1361 HydrophobicContact CD1-CD1 4.08Å; F1337-L1361 HydrophobicContact CD1-CD2 3.76Å; F1337-L1361 HydrophobicContact CD1-CG 4.43Å; F1337-L1361 HydrophobicContact CE1-CD2 4.33Å |
| 1338 | E | 85.4 | Confident | 81.9 | Confident | 34 Ų | 34 | 56 Ų | 56 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.1 | -169.3 | 177.7 | 149.8 | 0 | 0 | 111.5 | H1336 L1341 R1342 L1361 R1365 | H1336-E1338 PolarHBondContact O-N 3.26Å; E1338-L1341 PolarHBondContact O-N 3.49Å; E1338-R1342 PolarHBondContact O-N 3.48Å; E1338-R1342 IonicContact OE1-CZ 3.49Å; E1338-R1342 IonicContact OE1-NH1 2.82Å; E1338-R1342 PolarHBondContact OE1-NH1 2.74Å; E1338-R1342 IonicContact OE1-NH2 2.74Å; E1338-R1342 PolarHBondContact OE1-NH2 3.45Å; E1338-L1361 HydrophobicContact CB-CD2 3.77Å; E1338-L1361 HydrophobicContact CG-CD2 4.23Å; E1338-R1365 IonicContact OE1-NH1 2.7Å; E1338-R1365 PolarHBondContact OE1-NH1 3.3Å; E1338-R1365 VanDerWaalsContact OE1-NH1 3.16Å; E1338-R1365 IonicContact OE2-CZ 3.99Å; E1338-R1365 IonicContact OE2-NH1 2.61Å; E1338-R1365 PolarHBondContact OE2-NH1 2.84Å |
| 1339 | A | 84.8 | Confident | 81.8 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1314 H1336 F1337 S1343 | F1314-A1339 HydrophobicContact CE1-CB 4.4Å; F1314-A1339 HydrophobicContact CZ-CB 4.2Å; H1336-A1339 PolarHBondContact O-N 3Å; F1337-A1339 VanDerWaalsContact C-N 3.34Å; F1337-A1339 PolarHBondContact O-N 3.46Å; A1339-S1343 VanDerWaalsContact O-CB 3.22Å; A1339-S1343 WeakPolarHBondContact O-CB 3.43Å; A1339-S1343 PolarHBondContact O-N 3.29Å |
| 1340 | Y | 87.5 | Confident | 81.4 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -53.8 | 174 | 172.4 | -100.7 | 0 | 0 | 0 | 111.7 | F1314 F1317 N1318 L1321 H1336 F1337 R1342 S1343 R1344 | F1314-Y1340 HydrophobicContact CB-CD2 3.74Å; F1314-Y1340 HydrophobicContact CB-CE2 4.22Å; F1314-Y1340 AromaticContact CD1-CD2 3.97Å; F1314-Y1340 HydrophobicContact CD1-CD2 3.97Å; F1314-Y1340 HydrophobicContact CD1-CG 4.33Å; F1314-Y1340 AromaticContact CD2-CD2 3.75Å; F1314-Y1340 HydrophobicContact CD2-CD2 3.75Å; F1314-Y1340 HydrophobicContact CE1-CD2 4.5Å; F1314-Y1340 HydrophobicContact CE2-CD2 4.29Å; F1314-Y1340 AromaticContact CG-CD2 3.56Å; F1314-Y1340 HydrophobicContact CG-CD2 3.56Å; F1314-Y1340 HydrophobicContact CG-CE2 4.45Å; F1314-Y1340 HydrophobicContact CG-CG 4.36Å; F1314-Y1340 VanDerWaalsContact CZ-CA 3.45Å; F1314-Y1340 VanDerWaalsContact O-CE2 3.29Å; F1314-Y1340 WeakPolarHBondContact O-CE2 3.43Å; F1317-Y1340 HydrophobicContact CB-CD1 3.9Å; F1317-Y1340 HydrophobicContact CB-CD2 4.5Å; F1317-Y1340 HydrophobicContact CB-CE1 3.93Å; F1317-Y1340 HydrophobicContact CB-CG 4.2Å; F1317-Y1340 HydrophobicContact CD2-CD1 4.22Å; F1317-Y1340 HydrophobicContact CD2-CD2 4.5Å; F1317-Y1340 AromaticContact CD2-CG 3.93Å; F1317-Y1340 HydrophobicContact CD2-CG 3.93Å; F1317-Y1340 HydrophobicContact CG-CD1 4.49Å; N1318-Y1340 WeakPolarHBondContact CA-OH 3.41Å; N1318-Y1340 HydrophobicContact CB-CE2 4.31Å; N1318-Y1340 WeakPolarHBondContact CB-OH 3.38Å; N1318-Y1340 PolarHBondContact OD1-OH 2.94Å; L1321-Y1340 HydrophobicContact CD1-CE1 3.74Å; H1336-Y1340 PolarHBondContact O-N 3.41Å; F1337-Y1340 HydrophobicContact CD2-CD1 4.3Å; F1337-Y1340 HydrophobicContact CE2-CD1 4.26Å; F1337-Y1340 WeakPolarHBondContact O-CB 3.46Å; F1337-Y1340 PolarHBondContact O-N 3.37Å; Y1340-R1342 PolarHBondContact O-N 2.78Å; Y1340-S1343 WeakPolarHBondContact O-CB 3.35Å; Y1340-S1343 PolarHBondContact O-N 2.85Å; Y1340-S1343 VanDerWaalsContact O-N 3.17Å; Y1340-R1344 PolarHBondContact O-N 2.86Å |
| 1341 | L | 86.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | -179.1 | -69.5 | 177.4 | 0 | 0 | 0 | 111.6 | F1337 E1338 R1344 L1345 L1354 L1357 L1358 L1361 | F1337-L1341 HydrophobicContact CD1-CD1 4.16Å; F1337-L1341 HydrophobicContact CD2-CG 4.41Å; F1337-L1341 HydrophobicContact CE1-CD1 3.67Å; F1337-L1341 HydrophobicContact CE1-CG 4.32Å; F1337-L1341 HydrophobicContact CE2-CD1 4.23Å; F1337-L1341 HydrophobicContact CE2-CD2 4.06Å; F1337-L1341 HydrophobicContact CE2-CG 4Å; F1337-L1341 HydrophobicContact CZ-CD1 3.71Å; F1337-L1341 HydrophobicContact CZ-CD2 4.02Å; F1337-L1341 HydrophobicContact CZ-CG 3.97Å; F1337-L1341 WeakPolarHBondContact O-CG 3.49Å; F1337-L1341 PolarHBondContact O-N 3.1Å; E1338-L1341 PolarHBondContact O-N 3.49Å; L1341-R1344 PolarHBondContact O-N 3.22Å; L1341-L1345 VanDerWaalsContact O-CB 3.31Å; L1341-L1345 WeakPolarHBondContact O-CB 3.4Å; L1341-L1345 WeakPolarHBondContact O-CD1 3.43Å; L1341-L1345 VanDerWaalsContact O-CG 3.24Å; L1341-L1345 WeakPolarHBondContact O-CG 3.5Å; L1341-L1345 PolarHBondContact O-N 3.01Å; L1341-L1354 HydrophobicContact CD2-CD2 3.96Å; L1341-L1357 HydrophobicContact CD1-CB 4.21Å; L1341-L1357 HydrophobicContact CD2-CB 4.27Å; L1341-L1358 HydrophobicContact CB-CD1 4.26Å; L1341-L1358 HydrophobicContact CD1-CB 4.11Å; L1341-L1358 HydrophobicContact CD1-CD1 4.21Å; L1341-L1361 HydrophobicContact CD1-CD2 4.32Å |
| 1342 | R | 86.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 176.9 | -72.5 | -155.4 | -175.8 | 100.4 | 1.2 | 112.5 | E1338 Y1340 R1346 E1370 | E1338-R1342 PolarHBondContact O-N 3.48Å; E1338-R1342 IonicContact OE1-CZ 3.49Å; E1338-R1342 IonicContact OE1-NH1 2.82Å; E1338-R1342 PolarHBondContact OE1-NH1 2.74Å; E1338-R1342 IonicContact OE1-NH2 2.74Å; E1338-R1342 PolarHBondContact OE1-NH2 3.45Å; Y1340-R1342 PolarHBondContact O-N 2.78Å; R1342-R1346 WeakPolarHBondContact O-CG 3.24Å; R1342-R1346 PolarHBondContact O-N 3.48Å; R1342-E1370 IonicContact NH2-OE2 2.74Å; R1342-E1370 PolarHBondContact NH2-OE2 3.03Å; R1342-E1370 VanDerWaalsContact NH2-OE2 3.08Å |
| 1343 | S | 84.4 | Confident | 81.9 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | A1339 Y1340 R1346 | A1339-S1343 VanDerWaalsContact O-CB 3.22Å; A1339-S1343 WeakPolarHBondContact O-CB 3.43Å; A1339-S1343 PolarHBondContact O-N 3.29Å; Y1340-S1343 WeakPolarHBondContact O-CB 3.35Å; Y1340-S1343 PolarHBondContact O-N 2.85Å; Y1340-S1343 VanDerWaalsContact O-N 3.17Å; S1343-R1346 WeakPolarHBondContact O-CB 3.38Å; S1343-R1346 PolarHBondContact O-N 2.91Å |
| 1344 | R | 83.1 | Confident | 82.4 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | -179.7 | -157.4 | 63.6 | 159.9 | 139.9 | -1.8 | 112.2 | Y1340 L1341 R1346 Q1347 T1348 L1354 | Y1340-R1344 PolarHBondContact O-N 2.86Å; L1341-R1344 PolarHBondContact O-N 3.22Å; R1344-R1346 PolarHBondContact O-N 3.14Å; R1344-Q1347 WeakPolarHBondContact O-CB 3.41Å; R1344-Q1347 PolarHBondContact O-N 2.91Å; R1344-T1348 PolarHBondContact O-N 3.28Å; R1344-T1348 PolarHBondContact O-OG1 3.38Å; R1344-L1354 HydrophobicContact CB-CD1 3.96Å; R1344-L1354 HydrophobicContact CG-CD1 3.51Å |
| 1345 | L | 83.9 | Confident | 82.6 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -22.1 | 175 | -74.2 | 168.4 | 0 | 0 | 0 | 113.8 | L1341 Q1347 T1348 P1349 L1354 R1355 L1358 | L1341-L1345 VanDerWaalsContact O-CB 3.31Å; L1341-L1345 WeakPolarHBondContact O-CB 3.4Å; L1341-L1345 WeakPolarHBondContact O-CD1 3.43Å; L1341-L1345 VanDerWaalsContact O-CG 3.24Å; L1341-L1345 WeakPolarHBondContact O-CG 3.5Å; L1341-L1345 PolarHBondContact O-N 3.01Å; L1345-Q1347 VanDerWaalsContact C-N 3.35Å; L1345-T1348 CarbonylContact O-C 3.6Å; L1345-P1349 VanDerWaalsContact O-CA 3.23Å; L1345-P1349 WeakPolarHBondContact O-CA 3.47Å; L1345-L1354 HydrophobicContact CD2-CB 3.8Å; L1345-L1354 HydrophobicContact CG-CB 4.12Å; L1345-R1355 HydrophobicContact CD1-CG 3.99Å; L1345-R1355 HydrophobicContact CD2-CG 3.59Å; L1345-R1355 HydrophobicContact CG-CG 4.47Å; L1345-L1358 HydrophobicContact CD1-CB 4.42Å; L1345-L1358 HydrophobicContact CD1-CD2 3.69Å |
| 1346 | R | 80.1 | Confident | 82.8 | Confident | 211 Ų | 211 | 55.1 Ų | 55.1 | 80% | 0.796 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.2 | -32.5 | 169.9 | -73.6 | 173.5 | -177.5 | -175.4 | 0.9 | 112.4 | R1342 S1343 R1344 | R1342-R1346 WeakPolarHBondContact O-CG 3.24Å; R1342-R1346 PolarHBondContact O-N 3.48Å; S1343-R1346 WeakPolarHBondContact O-CB 3.38Å; S1343-R1346 PolarHBondContact O-N 2.91Å; R1344-R1346 PolarHBondContact O-N 3.14Å |
| 1347 | Q | 78.2 | Confident | 82.8 | Confident | 122 Ų | 122 | 53.1 Ų | 53.1 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -81.5 | -41.6 | 178.4 | -62.8 | 176.6 | -1.9 | 0 | 0 | 111.4 | R1344 L1345 P1349 | R1344-Q1347 WeakPolarHBondContact O-CB 3.41Å; R1344-Q1347 PolarHBondContact O-N 2.91Å; L1345-Q1347 VanDerWaalsContact C-N 3.35Å; Q1347-P1349 WeakPolarHBondContact O-CD 3.47Å |
| 1348 | T | 78.6 | Confident | 82.9 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 34% | 0.337 | 26% | 0.263 | S | S | . | . | trans | -122.1 | 78.1 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | R1344 L1345 D1350 D1351 | R1344-T1348 PolarHBondContact O-N 3.28Å; R1344-T1348 PolarHBondContact O-OG1 3.38Å; L1345-T1348 CarbonylContact O-C 3.6Å; T1348-D1350 PolarHBondContact O-N 3.19Å; T1348-D1351 PolarHBondContact O-N 2.74Å | ||
| 1349 | P | 76.3 | Confident | 83 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 1.9 | -176.3 | 32.1 | -37.8 | 0 | 0 | 0 | 113.2 | L1345 Q1347 R1355 | L1345-P1349 VanDerWaalsContact O-CA 3.23Å; L1345-P1349 WeakPolarHBondContact O-CA 3.47Å; Q1347-P1349 WeakPolarHBondContact O-CD 3.47Å; P1349-R1355 PolarHBondContact O-NH1 2.7Å; P1349-R1355 PolarHBondContact O-NH2 3.29Å |
| 1350 | D | 71.7 | Confident | 83.1 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 7.2 | 179.4 | -59.5 | -39.6 | 0 | 0 | 0 | 112.9 | T1348 A1352 | T1348-D1350 PolarHBondContact O-N 3.19Å; D1350-A1352 PolarHBondContact O-N 3.06Å |
| 1351 | D | 82 | Confident | 83 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | trans | -75.2 | 111.7 | 179.1 | -166.8 | -30.3 | 0 | 0 | 0 | 111.3 | T1348 N1353 L1354 | T1348-D1351 PolarHBondContact O-N 2.74Å; D1351-N1353 PolarHBondContact OD1-N 3.38Å; D1351-L1354 HydrophobicContact CB-CB 4.32Å; D1351-L1354 HydrophobicContact CB-CD1 4.01Å; D1351-L1354 HydrophobicContact CB-CG 4.28Å; D1351-L1354 PolarHBondContact OD1-N 3.08Å; D1351-L1354 WeakPolarHBondContact OD2-CD1 3.4Å; D1351-L1354 WeakPolarHBondContact OD2-CG 3.23Å | ||
| 1352 | A | 80.7 | Confident | 82.9 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.3 | -36.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1350 R1355 C1356 L1378 L1386 | D1350-A1352 PolarHBondContact O-N 3.06Å; A1352-R1355 PolarHBondContact O-N 3.02Å; A1352-C1356 WeakPolarHBondContact O-CB 2.97Å; A1352-C1356 PolarHBondContact O-N 2.95Å; A1352-C1356 PolarHBondContact O-SG 2.95Å; A1352-C1356 VanDerWaalsContact O-SG 3.34Å; A1352-L1378 HydrophobicContact CB-CD2 4.2Å; A1352-L1386 HydrophobicContact CB-CD1 3.86Å; A1352-L1386 HydrophobicContact CB-CD2 3.99Å; A1352-L1386 HydrophobicContact CB-CG 3.81Å |
| 1353 | N | 81.6 | Confident | 82.8 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | -175.9 | -67.8 | -36.8 | 0 | 0 | 0 | 111.3 | D1351 C1356 L1357 | D1351-N1353 PolarHBondContact OD1-N 3.38Å; N1353-C1356 WeakPolarHBondContact O-CB 3.07Å; N1353-C1356 PolarHBondContact O-N 3.15Å; N1353-L1357 WeakPolarHBondContact O-CG 3.33Å; N1353-L1357 PolarHBondContact O-N 3.16Å |
| 1354 | L | 84.8 | Confident | 82.7 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.9 | -67.4 | 177.5 | 0 | 0 | 0 | 112.3 | L1321 L1341 R1344 L1345 D1351 L1357 L1358 | L1321-L1354 HydrophobicContact CD1-CD2 4.1Å; L1341-L1354 HydrophobicContact CD2-CD2 3.96Å; R1344-L1354 HydrophobicContact CB-CD1 3.96Å; R1344-L1354 HydrophobicContact CG-CD1 3.51Å; L1345-L1354 HydrophobicContact CD2-CB 3.8Å; L1345-L1354 HydrophobicContact CG-CB 4.12Å; D1351-L1354 HydrophobicContact CB-CB 4.32Å; D1351-L1354 HydrophobicContact CB-CD1 4.01Å; D1351-L1354 HydrophobicContact CB-CG 4.28Å; D1351-L1354 PolarHBondContact OD1-N 3.08Å; D1351-L1354 WeakPolarHBondContact OD2-CD1 3.4Å; D1351-L1354 WeakPolarHBondContact OD2-CG 3.23Å; L1354-L1357 PolarHBondContact O-N 3.32Å; L1354-L1358 PolarHBondContact O-N 2.96Å |
| 1355 | R | 86.9 | Confident | 82.6 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -37 | 173 | -77.2 | -163.8 | 178.9 | 87.3 | -5.2 | 112.7 | L1345 P1349 A1352 L1357 L1358 W1359 V1374 H1377 L1378 | L1345-R1355 HydrophobicContact CD1-CG 3.99Å; L1345-R1355 HydrophobicContact CD2-CG 3.59Å; L1345-R1355 HydrophobicContact CG-CG 4.47Å; P1349-R1355 PolarHBondContact O-NH1 2.7Å; P1349-R1355 PolarHBondContact O-NH2 3.29Å; A1352-R1355 PolarHBondContact O-N 3.02Å; R1355-L1357 VanDerWaalsContact C-N 3.26Å; R1355-L1357 PolarHBondContact O-N 3.28Å; R1355-L1358 PolarHBondContact O-N 3.4Å; R1355-L1358 VanDerWaalsContact O-N 3.15Å; R1355-W1359 PolarHBondContact O-N 3.23Å; R1355-V1374 HydrophobicContact CB-CG1 4.07Å; R1355-V1374 HydrophobicContact CG-CG1 4.34Å; R1355-H1377 VanDerWaalsContact CZ-NE2 3.33Å; R1355-H1377 PolarHBondContact NE-CD2 2.98Å; R1355-H1377 PolarHBondContact NH2-CD2 3.22Å; R1355-H1377 VanDerWaalsContact NH2-CD2 3.33Å; R1355-H1377 PolarHBondContact NH2-NE2 3.37Å; R1355-L1378 HydrophobicContact CB-CD1 3.96Å; R1355-L1378 HydrophobicContact CB-CD2 3.74Å; R1355-L1378 HydrophobicContact CB-CG 3.93Å |
| 1356 | C | 85.3 | Confident | 82.5 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -40.8 | 173 | -82.3 | 0 | 0 | 0 | 0 | 111.8 | A1352 N1353 W1359 R1360 | A1352-C1356 WeakPolarHBondContact O-CB 2.97Å; A1352-C1356 PolarHBondContact O-N 2.95Å; A1352-C1356 PolarHBondContact O-SG 2.95Å; A1352-C1356 VanDerWaalsContact O-SG 3.34Å; N1353-C1356 WeakPolarHBondContact O-CB 3.07Å; N1353-C1356 PolarHBondContact O-N 3.15Å; C1356-W1359 VanDerWaalsContact CA-CD1 3.42Å; C1356-W1359 PolarHBondContact O-NE1 3.34Å; C1356-R1360 VanDerWaalsContact O-CG 3.29Å; C1356-R1360 WeakPolarHBondContact O-CG 3.31Å; C1356-R1360 PolarHBondContact O-N 2.96Å |
| 1357 | L | 84.6 | Confident | 82.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71 | -37.8 | 174.4 | -67 | 166.3 | 0 | 0 | 0 | 112.3 | L1321 T1326 L1341 N1353 L1354 R1355 R1360 L1361 | L1321-L1357 HydrophobicContact CD1-CD1 4.21Å; L1321-L1357 HydrophobicContact CD2-CD1 3.39Å; L1321-L1357 HydrophobicContact CG-CD1 4.45Å; T1326-L1357 HydrophobicContact CG2-CD2 4.18Å; L1341-L1357 HydrophobicContact CD1-CB 4.21Å; L1341-L1357 HydrophobicContact CD2-CB 4.27Å; N1353-L1357 WeakPolarHBondContact O-CG 3.33Å; N1353-L1357 PolarHBondContact O-N 3.16Å; L1354-L1357 PolarHBondContact O-N 3.32Å; R1355-L1357 VanDerWaalsContact C-N 3.26Å; R1355-L1357 PolarHBondContact O-N 3.28Å; L1357-R1360 PolarHBondContact O-N 2.97Å; L1357-L1361 PolarHBondContact O-N 3.38Å |
| 1358 | L | 87.9 | Confident | 83.2 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 179.3 | -178.5 | 62.9 | 0 | 0 | 0 | 112.1 | L1341 L1345 L1354 R1355 R1360 L1361 L1362 V1374 | L1341-L1358 HydrophobicContact CB-CD1 4.26Å; L1341-L1358 HydrophobicContact CD1-CB 4.11Å; L1341-L1358 HydrophobicContact CD1-CD1 4.21Å; L1345-L1358 HydrophobicContact CD1-CB 4.42Å; L1345-L1358 HydrophobicContact CD1-CD2 3.69Å; L1354-L1358 PolarHBondContact O-N 2.96Å; R1355-L1358 PolarHBondContact O-N 3.4Å; R1355-L1358 VanDerWaalsContact O-N 3.15Å; L1358-R1360 VanDerWaalsContact C-N 3.35Å; L1358-R1360 PolarHBondContact O-N 3.5Å; L1358-L1361 WeakPolarHBondContact O-CB 3.45Å; L1358-L1361 PolarHBondContact O-N 3.24Å; L1358-L1362 HydrophobicContact CD1-CD1 4.27Å; L1358-L1362 HydrophobicContact CD1-CG 4.34Å; L1358-L1362 HydrophobicContact CG-CD1 3.99Å; L1358-L1362 HydrophobicContact CG-CG 4.48Å; L1358-L1362 VanDerWaalsContact O-CG 3.3Å; L1358-L1362 WeakPolarHBondContact O-CG 3.38Å; L1358-L1362 PolarHBondContact O-N 3.46Å; L1358-V1374 HydrophobicContact CD2-CG1 4.47Å; L1358-V1374 HydrophobicContact CD2-CG2 3.97Å; L1358-V1374 HydrophobicContact CG-CG2 4.44Å |
| 1359 | W | 87.7 | Confident | 83.6 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68 | -35.3 | -179.2 | 81.2 | -102 | 0 | 0 | 0 | 111.8 | R1355 C1356 L1361 L1362 E1363 V1374 L1375 R1397 | R1355-W1359 PolarHBondContact O-N 3.23Å; C1356-W1359 VanDerWaalsContact CA-CD1 3.42Å; C1356-W1359 PolarHBondContact O-NE1 3.34Å; W1359-L1361 VanDerWaalsContact C-N 3.32Å; W1359-L1361 PolarHBondContact O-N 3.4Å; W1359-L1362 PolarHBondContact O-N 3.1Å; W1359-E1363 HydrophobicContact CE3-CB 4.36Å; W1359-E1363 HydrophobicContact CZ3-CB 4.44Å; W1359-E1363 WeakPolarHBondContact CZ3-OE2 3.44Å; W1359-E1363 WeakPolarHBondContact O-CB 3.13Å; W1359-E1363 PolarHBondContact O-N 3.48Å; W1359-V1374 HydrophobicContact CB-CB 4.2Å; W1359-V1374 HydrophobicContact CB-CG1 3.98Å; W1359-L1375 HydrophobicContact CB-CD2 4.45Å; W1359-L1375 HydrophobicContact CB-CG 4.22Å; W1359-L1375 HydrophobicContact CD2-CD1 4.46Å; W1359-L1375 HydrophobicContact CD2-CD2 3.72Å; W1359-L1375 HydrophobicContact CD2-CG 4.2Å; W1359-L1375 HydrophobicContact CE3-CD1 4.17Å; W1359-L1375 HydrophobicContact CE3-CD2 4.19Å; W1359-L1375 HydrophobicContact CE3-CG 4.4Å; W1359-L1375 HydrophobicContact CG-CD2 3.79Å; W1359-L1375 HydrophobicContact CG-CG 4.07Å; W1359-R1397 VanDerWaalsContact CH2-NH1 3.26Å |
| 1360 | R | 86.9 | Confident | 84.1 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.2 | -72.1 | 177.5 | -172.2 | -178.5 | 4 | 111.8 | M1330 C1356 L1357 L1358 R1364 | M1330-R1360 HydrophobicContact CE-CB 3.87Å; M1330-R1360 HydrophobicContact SD-CB 4.05Å; C1356-R1360 VanDerWaalsContact O-CG 3.29Å; C1356-R1360 WeakPolarHBondContact O-CG 3.31Å; C1356-R1360 PolarHBondContact O-N 2.96Å; L1357-R1360 PolarHBondContact O-N 2.97Å; L1358-R1360 VanDerWaalsContact C-N 3.35Å; L1358-R1360 PolarHBondContact O-N 3.5Å; R1360-R1364 PolarHBondContact O-N 3.16Å; R1360-R1364 VanDerWaalsContact O-N 3.07Å |
| 1361 | L | 84.2 | Confident | 85 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 175.2 | -177.7 | 68.6 | 0 | 0 | 0 | 111.5 | M1330 F1337 E1338 L1341 L1357 L1358 W1359 E1363 R1364 R1365 | M1330-L1361 HydrophobicContact CE-CB 4.21Å; M1330-L1361 HydrophobicContact CE-CD1 4.47Å; F1337-L1361 HydrophobicContact CD1-CD1 4.08Å; F1337-L1361 HydrophobicContact CD1-CD2 3.76Å; F1337-L1361 HydrophobicContact CD1-CG 4.43Å; F1337-L1361 HydrophobicContact CE1-CD2 4.33Å; E1338-L1361 HydrophobicContact CB-CD2 3.77Å; E1338-L1361 HydrophobicContact CG-CD2 4.23Å; L1341-L1361 HydrophobicContact CD1-CD2 4.32Å; L1357-L1361 PolarHBondContact O-N 3.38Å; L1358-L1361 WeakPolarHBondContact O-CB 3.45Å; L1358-L1361 PolarHBondContact O-N 3.24Å; W1359-L1361 VanDerWaalsContact C-N 3.32Å; W1359-L1361 PolarHBondContact O-N 3.4Å; L1361-E1363 VanDerWaalsContact C-N 3.32Å; L1361-E1363 PolarHBondContact O-N 2.72Å; L1361-R1364 PolarHBondContact O-N 3.29Å; L1361-R1365 PolarHBondContact O-N 3.02Å |
| 1362 | L | 85.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 178.6 | -69.1 | 170.5 | 0 | 0 | 0 | 111.9 | L1358 W1359 R1365 G1366 A1367 E1370 A1371 V1374 | L1358-L1362 HydrophobicContact CD1-CD1 4.27Å; L1358-L1362 HydrophobicContact CD1-CG 4.34Å; L1358-L1362 HydrophobicContact CG-CD1 3.99Å; L1358-L1362 HydrophobicContact CG-CG 4.48Å; L1358-L1362 VanDerWaalsContact O-CG 3.3Å; L1358-L1362 WeakPolarHBondContact O-CG 3.38Å; L1358-L1362 PolarHBondContact O-N 3.46Å; W1359-L1362 PolarHBondContact O-N 3.1Å; L1362-R1365 PolarHBondContact O-N 3.43Å; L1362-G1366 PolarHBondContact O-N 3.21Å; L1362-A1367 HydrophobicContact CB-CB 4.46Å; L1362-A1367 HydrophobicContact CD2-CB 4.19Å; L1362-A1367 PolarHBondContact O-N 3Å; L1362-E1370 HydrophobicContact CD1-CB 3.97Å; L1362-E1370 HydrophobicContact CD2-CB 4.4Å; L1362-A1371 HydrophobicContact CB-CB 4.01Å; L1362-V1374 HydrophobicContact CD1-CG2 4.07Å |
| 1363 | E | 84.1 | Confident | 85.8 | Confident | 116 Ų | 116 | 56.9 Ų | 56.9 | 54% | 0.542 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 174 | -172.8 | 179.4 | -142.4 | 0 | 0 | 111.1 | W1359 L1361 R1365 G1366 | W1359-E1363 HydrophobicContact CE3-CB 4.36Å; W1359-E1363 HydrophobicContact CZ3-CB 4.44Å; W1359-E1363 WeakPolarHBondContact CZ3-OE2 3.44Å; W1359-E1363 WeakPolarHBondContact O-CB 3.13Å; W1359-E1363 PolarHBondContact O-N 3.48Å; L1361-E1363 VanDerWaalsContact C-N 3.32Å; L1361-E1363 PolarHBondContact O-N 2.72Å; E1363-R1365 VanDerWaalsContact C-N 3.26Å; E1363-R1365 PolarHBondContact O-N 2.96Å; E1363-G1366 PolarHBondContact O-N 3.36Å |
| 1364 | R | 81.5 | Confident | 86.2 | Confident | 151 Ų | 151 | 53.2 Ų | 53.2 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.5 | -32.2 | 175.9 | -166.4 | 175.7 | -177 | -171.8 | -1.3 | 112.7 | M1330 R1360 L1361 G1366 | M1330-R1364 PolarHBondContact O-NH1 3.33Å; R1360-R1364 PolarHBondContact O-N 3.16Å; R1360-R1364 VanDerWaalsContact O-N 3.07Å; L1361-R1364 PolarHBondContact O-N 3.29Å; R1364-G1366 VanDerWaalsContact C-N 3.31Å |
| 1365 | R | 81.4 | Confident | 86.5 | Confident | 168 Ų | 168 | 52.7 Ų | 52.7 | 63% | 0.634 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -77 | -15 | 174 | -171.7 | 174.8 | 173.4 | -164.2 | -8.3 | 113.2 | E1338 L1361 L1362 E1363 | E1338-R1365 IonicContact OE1-NH1 2.7Å; E1338-R1365 PolarHBondContact OE1-NH1 3.3Å; E1338-R1365 VanDerWaalsContact OE1-NH1 3.16Å; E1338-R1365 IonicContact OE2-CZ 3.99Å; E1338-R1365 IonicContact OE2-NH1 2.61Å; E1338-R1365 PolarHBondContact OE2-NH1 2.84Å; L1361-R1365 PolarHBondContact O-N 3.02Å; L1362-R1365 PolarHBondContact O-N 3.43Å; E1363-R1365 VanDerWaalsContact C-N 3.26Å; E1363-R1365 PolarHBondContact O-N 2.96Å |
| 1366 | G | 82 | Confident | 86.6 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 8.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1362 E1363 R1364 R1368 | L1362-G1366 PolarHBondContact O-N 3.21Å; E1363-G1366 PolarHBondContact O-N 3.36Å; R1364-G1366 VanDerWaalsContact C-N 3.31Å; G1366-R1368 PolarHBondContact O-N 3.01Å |
| 1367 | A | 86.5 | Confident | 86.7 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | trans | -79.4 | 65.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1362 L1369 E1370 A1371 | L1362-A1367 HydrophobicContact CB-CB 4.46Å; L1362-A1367 HydrophobicContact CD2-CB 4.19Å; L1362-A1367 PolarHBondContact O-N 3Å; A1367-L1369 VanDerWaalsContact C-N 3.33Å; A1367-L1369 PolarHBondContact O-N 3.45Å; A1367-E1370 HydrophobicContact CB-CB 4.47Å; A1367-E1370 PolarHBondContact O-N 2.57Å; A1367-A1371 PolarHBondContact O-N 3.2Å | ||
| 1368 | R | 86 | Confident | 86.8 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | -169.6 | -64.1 | -172.4 | -176.4 | 87.5 | 1.9 | 114.4 | G1366 A1372 L1405 | G1366-R1368 PolarHBondContact O-N 3.01Å; R1368-A1372 WeakPolarHBondContact O-CB 3.48Å; R1368-A1372 PolarHBondContact O-N 3.31Å; R1368-L1405 HydrophobicContact CB-CD1 3.86Å; R1368-L1405 HydrophobicContact CB-CG 4.08Å |
| 1369 | L | 88 | Confident | 86.7 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 180 | -172.6 | 69.8 | 0 | 0 | 0 | 111.7 | A1367 A1371 A1372 Q1373 L1405 | A1367-L1369 VanDerWaalsContact C-N 3.33Å; A1367-L1369 PolarHBondContact O-N 3.45Å; L1369-A1371 VanDerWaalsContact C-N 3.32Å; L1369-A1371 PolarHBondContact O-N 3.43Å; L1369-A1372 WeakPolarHBondContact O-CB 3.43Å; L1369-A1372 PolarHBondContact O-N 3.24Å; L1369-Q1373 WeakPolarHBondContact O-CG 3.1Å; L1369-Q1373 PolarHBondContact O-N 3.48Å; L1369-L1405 HydrophobicContact CB-CD1 4.39Å |
| 1370 | E | 87.3 | Confident | 86.5 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 175.6 | -66.4 | -176.1 | -149.8 | 0 | 0 | 111.2 | R1342 L1362 A1367 A1372 Q1373 V1374 | R1342-E1370 IonicContact NH2-OE2 2.74Å; R1342-E1370 PolarHBondContact NH2-OE2 3.03Å; R1342-E1370 VanDerWaalsContact NH2-OE2 3.08Å; L1362-E1370 HydrophobicContact CD1-CB 3.97Å; L1362-E1370 HydrophobicContact CD2-CB 4.4Å; A1367-E1370 HydrophobicContact CB-CB 4.47Å; A1367-E1370 PolarHBondContact O-N 2.57Å; E1370-A1372 VanDerWaalsContact C-N 3.34Å; E1370-A1372 PolarHBondContact O-N 2.92Å; E1370-Q1373 PolarHBondContact O-N 2.92Å; E1370-V1374 WeakPolarHBondContact O-CG2 3.47Å; E1370-V1374 PolarHBondContact O-N 3.03Å |
| 1371 | A | 89.1 | Confident | 86.1 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1362 A1367 L1369 Q1373 V1374 L1375 | L1362-A1371 HydrophobicContact CB-CB 4.01Å; A1367-A1371 PolarHBondContact O-N 3.2Å; L1369-A1371 VanDerWaalsContact C-N 3.32Å; L1369-A1371 PolarHBondContact O-N 3.43Å; A1371-Q1373 PolarHBondContact O-N 3.45Å; A1371-V1374 PolarHBondContact O-N 3.47Å; A1371-L1375 WeakPolarHBondContact O-CB 3.5Å; A1371-L1375 VanDerWaalsContact O-CG 3.24Å; A1371-L1375 WeakPolarHBondContact O-CG 3.39Å; A1371-L1375 PolarHBondContact O-N 3.47Å |
| 1372 | A | 90 | Very high | 85.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1368 L1369 E1370 L1375 E1376 A1398 A1401 V1402 | R1368-A1372 WeakPolarHBondContact O-CB 3.48Å; R1368-A1372 PolarHBondContact O-N 3.31Å; L1369-A1372 WeakPolarHBondContact O-CB 3.43Å; L1369-A1372 PolarHBondContact O-N 3.24Å; E1370-A1372 VanDerWaalsContact C-N 3.34Å; E1370-A1372 PolarHBondContact O-N 2.92Å; A1372-L1375 PolarHBondContact O-N 3.49Å; A1372-E1376 WeakPolarHBondContact O-CB 3.28Å; A1372-E1376 PolarHBondContact O-N 3.45Å; A1372-A1398 HydrophobicContact CB-CB 4.43Å; A1372-A1401 HydrophobicContact CB-CB 4.19Å; A1372-V1402 HydrophobicContact CB-CG2 3.54Å |
| 1373 | Q | 91 | Very high | 84.8 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 175.8 | -70.1 | 171.7 | -13.8 | 0 | 0 | 112.6 | L1369 E1370 A1371 E1376 H1377 | L1369-Q1373 WeakPolarHBondContact O-CG 3.1Å; L1369-Q1373 PolarHBondContact O-N 3.48Å; E1370-Q1373 PolarHBondContact O-N 2.92Å; A1371-Q1373 PolarHBondContact O-N 3.45Å; Q1373-E1376 PolarHBondContact O-N 3.25Å; Q1373-H1377 PolarHBondContact O-N 2.83Å |
| 1374 | V | 89.5 | Confident | 84.1 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 175.2 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | R1355 L1358 W1359 L1362 E1370 A1371 H1377 L1378 | R1355-V1374 HydrophobicContact CB-CG1 4.07Å; R1355-V1374 HydrophobicContact CG-CG1 4.34Å; L1358-V1374 HydrophobicContact CD2-CG1 4.47Å; L1358-V1374 HydrophobicContact CD2-CG2 3.97Å; L1358-V1374 HydrophobicContact CG-CG2 4.44Å; W1359-V1374 HydrophobicContact CB-CB 4.2Å; W1359-V1374 HydrophobicContact CB-CG1 3.98Å; L1362-V1374 HydrophobicContact CD1-CG2 4.07Å; E1370-V1374 WeakPolarHBondContact O-CG2 3.47Å; E1370-V1374 PolarHBondContact O-N 3.03Å; A1371-V1374 PolarHBondContact O-N 3.47Å; V1374-H1377 PolarHBondContact O-N 2.98Å; V1374-L1378 PolarHBondContact O-N 3.41Å |
| 1375 | L | 90.6 | Very high | 83.7 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 175.6 | -73.7 | 167.2 | 0 | 0 | 0 | 112.3 | W1359 A1371 A1372 H1377 L1378 A1379 F1394 R1397 A1398 | W1359-L1375 HydrophobicContact CB-CD2 4.45Å; W1359-L1375 HydrophobicContact CB-CG 4.22Å; W1359-L1375 HydrophobicContact CD2-CD1 4.46Å; W1359-L1375 HydrophobicContact CD2-CD2 3.72Å; W1359-L1375 HydrophobicContact CD2-CG 4.2Å; W1359-L1375 HydrophobicContact CE3-CD1 4.17Å; W1359-L1375 HydrophobicContact CE3-CD2 4.19Å; W1359-L1375 HydrophobicContact CE3-CG 4.4Å; W1359-L1375 HydrophobicContact CG-CD2 3.79Å; W1359-L1375 HydrophobicContact CG-CG 4.07Å; A1371-L1375 WeakPolarHBondContact O-CB 3.5Å; A1371-L1375 VanDerWaalsContact O-CG 3.24Å; A1371-L1375 WeakPolarHBondContact O-CG 3.39Å; A1371-L1375 PolarHBondContact O-N 3.47Å; A1372-L1375 PolarHBondContact O-N 3.49Å; L1375-H1377 VanDerWaalsContact C-N 3.33Å; L1375-H1377 PolarHBondContact O-N 3.15Å; L1375-L1378 PolarHBondContact O-N 2.73Å; L1375-A1379 WeakPolarHBondContact O-CB 3.36Å; L1375-A1379 PolarHBondContact O-N 3.43Å; L1375-F1394 HydrophobicContact CD2-CB 4.13Å; L1375-F1394 HydrophobicContact CD2-CD1 3.62Å; L1375-F1394 HydrophobicContact CD2-CE1 4.48Å; L1375-F1394 HydrophobicContact CD2-CG 4.21Å; L1375-R1397 HydrophobicContact CD1-CB 3.9Å; L1375-R1397 HydrophobicContact CD2-CB 4.45Å; L1375-A1398 HydrophobicContact CB-CB 3.84Å |
| 1376 | E | 89 | Confident | 83.5 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 172.2 | 177.2 | -171.8 | -159.2 | 0 | 0 | 110.7 | A1372 Q1373 L1378 A1379 V1380 Y1414 L1418 R1421 | A1372-E1376 WeakPolarHBondContact O-CB 3.28Å; A1372-E1376 PolarHBondContact O-N 3.45Å; Q1373-E1376 PolarHBondContact O-N 3.25Å; E1376-L1378 VanDerWaalsContact C-N 3.3Å; E1376-L1378 PolarHBondContact O-N 3.49Å; E1376-A1379 WeakPolarHBondContact O-CB 3.3Å; E1376-A1379 PolarHBondContact O-N 2.98Å; E1376-V1380 HydrophobicContact CG-CG2 4.41Å; E1376-V1380 WeakPolarHBondContact O-CG2 3.34Å; E1376-V1380 PolarHBondContact O-N 3.26Å; E1376-Y1414 WeakPolarHBondContact OE2-CE2 3.43Å; E1376-Y1414 VanDerWaalsContact OE2-CZ 3.28Å; E1376-Y1414 PolarHBondContact OE2-OH 2.91Å; E1376-L1418 HydrophobicContact CB-CD2 3.92Å; E1376-L1418 HydrophobicContact CG-CD2 3.8Å; E1376-R1421 IonicContact OE1-CZ 2.7Å; E1376-R1421 IonicContact OE1-NH1 3.72Å; E1376-R1421 PolarHBondContact OE1-NH1 3.34Å; E1376-R1421 IonicContact OE1-NH2 3.27Å; E1376-R1421 PolarHBondContact OE1-NH2 3.4Å |
| 1377 | H | 87.5 | Confident | 83.6 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 33% | 0.333 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 177.7 | -167.3 | 88.7 | 0 | 0 | 0 | 111.8 | R1355 Q1373 V1374 L1375 A1379 V1380 T1381 | R1355-H1377 VanDerWaalsContact CZ-NE2 3.33Å; R1355-H1377 PolarHBondContact NE-CD2 2.98Å; R1355-H1377 PolarHBondContact NH2-CD2 3.22Å; R1355-H1377 VanDerWaalsContact NH2-CD2 3.33Å; R1355-H1377 PolarHBondContact NH2-NE2 3.37Å; Q1373-H1377 PolarHBondContact O-N 2.83Å; V1374-H1377 PolarHBondContact O-N 2.98Å; L1375-H1377 VanDerWaalsContact C-N 3.33Å; L1375-H1377 PolarHBondContact O-N 3.15Å; H1377-A1379 VanDerWaalsContact C-N 3.29Å; H1377-A1379 PolarHBondContact O-N 2.98Å; H1377-V1380 PolarHBondContact O-N 3.07Å; H1377-T1381 PolarHBondContact CD2-OG1 3.31Å; H1377-T1381 VanDerWaalsContact CD2-OG1 3.28Å; H1377-T1381 PolarHBondContact CE1-OG1 3.44Å; H1377-T1381 PolarHBondContact NE2-OG1 3.46Å; H1377-T1381 VanDerWaalsContact O-CB 3.26Å; H1377-T1381 WeakPolarHBondContact O-CB 3.31Å; H1377-T1381 PolarHBondContact O-N 3.44Å; H1377-T1381 PolarHBondContact O-OG1 3.35Å |
| 1378 | L | 87 | Confident | 83.4 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -30 | 173.5 | -77.2 | 170.8 | 0 | 0 | 0 | 113.2 | A1352 R1355 V1374 L1375 E1376 L1386 F1394 | A1352-L1378 HydrophobicContact CB-CD2 4.2Å; R1355-L1378 HydrophobicContact CB-CD1 3.96Å; R1355-L1378 HydrophobicContact CB-CD2 3.74Å; R1355-L1378 HydrophobicContact CB-CG 3.93Å; V1374-L1378 PolarHBondContact O-N 3.41Å; L1375-L1378 PolarHBondContact O-N 2.73Å; E1376-L1378 VanDerWaalsContact C-N 3.3Å; E1376-L1378 PolarHBondContact O-N 3.49Å; L1378-L1386 HydrophobicContact CD2-CD1 3.97Å; L1378-F1394 HydrophobicContact CB-CB 4.42Å; L1378-F1394 HydrophobicContact CB-CD2 3.78Å; L1378-F1394 HydrophobicContact CB-CE2 4.25Å; L1378-F1394 HydrophobicContact CB-CG 4.13Å |
| 1379 | A | 84.9 | Confident | 83.3 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.5 | -31 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1375 E1376 H1377 R1391 F1394 A1395 | L1375-A1379 WeakPolarHBondContact O-CB 3.36Å; L1375-A1379 PolarHBondContact O-N 3.43Å; E1376-A1379 WeakPolarHBondContact O-CB 3.3Å; E1376-A1379 PolarHBondContact O-N 2.98Å; H1377-A1379 VanDerWaalsContact C-N 3.29Å; H1377-A1379 PolarHBondContact O-N 2.98Å; A1379-R1391 WeakPolarHBondContact O-CD 3.36Å; A1379-F1394 HydrophobicContact CB-CB 4.33Å; A1379-A1395 HydrophobicContact CB-CB 4.02Å |
| 1380 | V | 83.5 | Confident | 83.2 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -96 | -43.1 | -173.8 | 177 | 0 | 0 | 0 | 0 | 113 | E1376 H1377 | E1376-V1380 HydrophobicContact CG-CG2 4.41Å; E1376-V1380 WeakPolarHBondContact O-CG2 3.34Å; E1376-V1380 PolarHBondContact O-N 3.26Å; H1377-V1380 PolarHBondContact O-N 3.07Å |
| 1381 | T | 79.7 | Confident | 83.1 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -72 | 130.5 | -170.7 | -56 | 0 | 0 | 0 | 0 | 111.3 | H1377 C1383 | H1377-T1381 PolarHBondContact CD2-OG1 3.31Å; H1377-T1381 VanDerWaalsContact CD2-OG1 3.28Å; H1377-T1381 PolarHBondContact CE1-OG1 3.44Å; H1377-T1381 PolarHBondContact NE2-OG1 3.46Å; H1377-T1381 VanDerWaalsContact O-CB 3.26Å; H1377-T1381 WeakPolarHBondContact O-CB 3.31Å; H1377-T1381 PolarHBondContact O-N 3.44Å; H1377-T1381 PolarHBondContact O-OG1 3.35Å; T1381-C1383 PolarHBondContact O-N 3.08Å |
| 1382 | P | 70.5 | Confident | 83 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | trans | -69.4 | 116.9 | -179.6 | 27.4 | -33.3 | 0 | 0 | 0 | 111.2 | P1495 | P1382-P1495 HydrophobicContact CB-CB 4.25Å; P1382-P1495 HydrophobicContact CG-CB 4.43Å | ||
| 1383 | C | 71.9 | Confident | 82.9 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 12% | 0.122 | 27% | 0.265 | C | S | . | . | trans | -131.4 | 133.6 | 173.4 | -173.7 | 0 | 0 | 0 | 0 | 110 | T1381 Q1385 L1386 R1391 | T1381-C1383 PolarHBondContact O-N 3.08Å; C1383-Q1385 PolarHBondContact O-N 3.35Å; C1383-L1386 HydrophobicContact CB-CB 4.44Å; C1383-L1386 HydrophobicContact CB-CD1 4.17Å; C1383-L1386 HydrophobicContact CB-CG 4.22Å; C1383-L1386 PolarHBondContact O-N 3.21Å; C1383-R1391 VanDerWaalsContact N-NH2 3.15Å; C1383-R1391 PolarHBondContact O-NH2 2.94Å | ||
| 1384 | H | 69.6 | Low | 82.8 | Confident | 168 Ų | 168 | 47.4 Ų | 47.4 | 78% | 0.778 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.2 | -178.3 | -67.6 | 52.2 | 0 | 0 | 0 | 112.5 | H1493 | H1384-H1493 PolarHBondContact O-ND1 2.81Š|
| 1385 | Q | 71.8 | Confident | 82.7 | Confident | 124 Ų | 124 | 46.5 Ų | 46.5 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -21.7 | 180 | -65 | 177.8 | -11.5 | 0 | 0 | 113.1 | C1383 | C1383-Q1385 PolarHBondContact O-N 3.35Š|
| 1386 | L | 78.5 | Confident | 82.7 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | trans | -95 | 131.5 | -178.4 | -64.9 | 178.3 | 0 | 0 | 0 | 109.8 | A1352 L1378 C1383 D1390 R1391 F1394 H1493 | A1352-L1386 HydrophobicContact CB-CD1 3.86Å; A1352-L1386 HydrophobicContact CB-CD2 3.99Å; A1352-L1386 HydrophobicContact CB-CG 3.81Å; L1378-L1386 HydrophobicContact CD2-CD1 3.97Å; C1383-L1386 HydrophobicContact CB-CB 4.44Å; C1383-L1386 HydrophobicContact CB-CD1 4.17Å; C1383-L1386 HydrophobicContact CB-CG 4.22Å; C1383-L1386 PolarHBondContact O-N 3.21Å; L1386-D1390 HydrophobicContact CD2-CB 4.3Å; L1386-R1391 HydrophobicContact CB-CG 4.43Å; L1386-F1394 HydrophobicContact CD1-CE2 4.23Å; L1386-F1394 HydrophobicContact CD2-CE2 3.82Å; L1386-F1394 HydrophobicContact CD2-CZ 4.41Å; L1386-H1493 PolarHBondContact O-ND1 2.98Å | ||
| 1387 | T | 82.8 | Confident | 82.7 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | trans | -83.7 | 159.1 | 169.4 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | E1389 D1390 R1391 | T1387-E1389 PolarHBondContact O-N 2.94Å; T1387-E1389 PolarHBondContact OG1-N 3.19Å; T1387-D1390 WeakPolarHBondContact CB-OD2 3.17Å; T1387-D1390 PolarHBondContact N-OD2 3.32Å; T1387-D1390 WeakPolarHBondContact O-CB 3.38Å; T1387-D1390 PolarHBondContact O-N 2.88Å; T1387-D1390 VanDerWaalsContact O-N 3.11Å; T1387-D1390 PolarHBondContact OG1-N 3.25Å; T1387-D1390 PolarHBondContact OG1-OD2 2.99Å; T1387-R1391 PolarHBondContact O-N 3.35Å; T1387-R1391 VanDerWaalsContact O-N 3.16Å | ||
| 1388 | L | 83.4 | Confident | 82.8 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.3 | -29.5 | 172.4 | -176.5 | 63.6 | 0 | 0 | 0 | 112.7 | R1391 L1392 Q1428 Q1429 T1492 | L1388-R1391 PolarHBondContact O-N 3.34Å; L1388-L1392 PolarHBondContact O-N 3.24Å; L1388-Q1428 HydrophobicContact CD1-CB 4.47Å; L1388-Q1428 HydrophobicContact CD1-CG 4.36Å; L1388-Q1428 HydrophobicContact CD2-CB 4.12Å; L1388-Q1428 HydrophobicContact CD2-CG 3.91Å; L1388-Q1429 VanDerWaalsContact CD2-CA 3.45Å; L1388-Q1429 HydrophobicContact CD2-CB 3.8Å; L1388-Q1429 HydrophobicContact CD2-CG 4.39Å; L1388-Q1429 HydrophobicContact CG-CB 4.4Å; L1388-T1492 PolarHBondContact N-O 3.41Å; L1388-T1492 VanDerWaalsContact N-O 3.09Å |
| 1389 | E | 84.7 | Confident | 82.9 | Confident | 110 Ų | 110 | 49.1 Ų | 49.1 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 174.5 | -73.2 | 176 | -168.1 | 0 | 0 | 111.5 | T1387 R1391 L1392 D1393 | T1387-E1389 PolarHBondContact O-N 2.94Å; T1387-E1389 PolarHBondContact OG1-N 3.19Å; E1389-R1391 VanDerWaalsContact C-N 3.28Å; E1389-R1391 PolarHBondContact O-N 2.96Å; E1389-L1392 WeakPolarHBondContact O-CB 3.48Å; E1389-L1392 PolarHBondContact O-N 3.49Å; E1389-D1393 PolarHBondContact O-N 2.93Å |
| 1390 | D | 83.9 | Confident | 83.1 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 176 | -56.1 | -52.4 | 0 | 0 | 0 | 111.4 | L1386 T1387 D1393 F1394 | L1386-D1390 HydrophobicContact CD2-CB 4.3Å; T1387-D1390 WeakPolarHBondContact CB-OD2 3.17Å; T1387-D1390 PolarHBondContact N-OD2 3.32Å; T1387-D1390 WeakPolarHBondContact O-CB 3.38Å; T1387-D1390 PolarHBondContact O-N 2.88Å; T1387-D1390 VanDerWaalsContact O-N 3.11Å; T1387-D1390 PolarHBondContact OG1-N 3.25Å; T1387-D1390 PolarHBondContact OG1-OD2 2.99Å; D1390-D1393 WeakPolarHBondContact O-CB 3.43Å; D1390-D1393 PolarHBondContact O-N 3.33Å; D1390-F1394 HydrophobicContact CB-CD2 4.49Å; D1390-F1394 HydrophobicContact CB-CE2 3.94Å; D1390-F1394 HydrophobicContact CB-CZ 4.46Å; D1390-F1394 WeakPolarHBondContact O-CD2 3.24Å; D1390-F1394 VanDerWaalsContact O-CG 3.25Å; D1390-F1394 WeakPolarHBondContact O-CG 3.39Å; D1390-F1394 PolarHBondContact O-N 3.41Å |
| 1391 | R | 86.1 | Confident | 83.3 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 179 | -64.4 | -175.7 | -168.7 | -177.4 | 14.8 | 112.9 | A1379 C1383 L1386 T1387 L1388 E1389 D1393 F1394 A1395 H1493 G1494 | A1379-R1391 WeakPolarHBondContact O-CD 3.36Å; C1383-R1391 VanDerWaalsContact N-NH2 3.15Å; C1383-R1391 PolarHBondContact O-NH2 2.94Å; L1386-R1391 HydrophobicContact CB-CG 4.43Å; T1387-R1391 PolarHBondContact O-N 3.35Å; T1387-R1391 VanDerWaalsContact O-N 3.16Å; L1388-R1391 PolarHBondContact O-N 3.34Å; E1389-R1391 VanDerWaalsContact C-N 3.28Å; E1389-R1391 PolarHBondContact O-N 2.96Å; R1391-D1393 VanDerWaalsContact C-N 3.33Å; R1391-F1394 PolarHBondContact O-N 3.09Å; R1391-A1395 WeakPolarHBondContact O-CB 3.4Å; R1391-A1395 PolarHBondContact O-N 3.38Å; R1391-H1493 PolarHBondContact NH2-O 3.33Å; R1391-G1494 PolarHBondContact NH1-O 3.44Å; R1391-G1494 PolarHBondContact NH2-O 3Å |
| 1392 | L | 87.3 | Confident | 83.7 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 171.6 | -83.2 | 166.5 | 0 | 0 | 0 | 111 | L1388 E1389 A1395 A1396 L1422 A1425 Q1426 Q1429 | L1388-L1392 PolarHBondContact O-N 3.24Å; E1389-L1392 WeakPolarHBondContact O-CB 3.48Å; E1389-L1392 PolarHBondContact O-N 3.49Å; L1392-A1395 PolarHBondContact O-N 3.14Å; L1392-A1396 WeakPolarHBondContact O-CB 3.34Å; L1392-A1396 PolarHBondContact O-N 3.49Å; L1392-L1422 HydrophobicContact CD2-CD1 3.79Å; L1392-A1425 HydrophobicContact CD2-CB 3.39Å; L1392-A1425 HydrophobicContact CG-CB 3.92Å; L1392-Q1426 HydrophobicContact CD2-CG 3.75Å; L1392-Q1429 HydrophobicContact CD1-CB 3.99Å; L1392-Q1429 VanDerWaalsContact CD1-CD 3.43Å; L1392-Q1429 HydrophobicContact CD1-CG 4.15Å |
| 1393 | D | 87.4 | Confident | 84.5 | Confident | 90 Ų | 90 | 51.7 Ų | 51.7 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177 | -84 | -0.8 | 0 | 0 | 0 | 111.9 | E1389 D1390 R1391 A1396 R1397 | E1389-D1393 PolarHBondContact O-N 2.93Å; D1390-D1393 WeakPolarHBondContact O-CB 3.43Å; D1390-D1393 PolarHBondContact O-N 3.33Å; R1391-D1393 VanDerWaalsContact C-N 3.33Å; D1393-A1396 PolarHBondContact O-N 3.36Å; D1393-R1397 WeakPolarHBondContact O-CB 3.4Å; D1393-R1397 VanDerWaalsContact O-CG 3.23Å; D1393-R1397 WeakPolarHBondContact O-CG 3.31Å; D1393-R1397 PolarHBondContact O-N 3.49Å |
| 1394 | F | 89.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 176.2 | -62.7 | -43.3 | 0 | 0 | 0 | 112.6 | L1375 L1378 A1379 L1386 D1390 R1391 A1396 R1397 A1398 | L1375-F1394 HydrophobicContact CD2-CB 4.13Å; L1375-F1394 HydrophobicContact CD2-CD1 3.62Å; L1375-F1394 HydrophobicContact CD2-CE1 4.48Å; L1375-F1394 HydrophobicContact CD2-CG 4.21Å; L1378-F1394 HydrophobicContact CB-CB 4.42Å; L1378-F1394 HydrophobicContact CB-CD2 3.78Å; L1378-F1394 HydrophobicContact CB-CE2 4.25Å; L1378-F1394 HydrophobicContact CB-CG 4.13Å; A1379-F1394 HydrophobicContact CB-CB 4.33Å; L1386-F1394 HydrophobicContact CD1-CE2 4.23Å; L1386-F1394 HydrophobicContact CD2-CE2 3.82Å; L1386-F1394 HydrophobicContact CD2-CZ 4.41Å; D1390-F1394 HydrophobicContact CB-CD2 4.49Å; D1390-F1394 HydrophobicContact CB-CE2 3.94Å; D1390-F1394 HydrophobicContact CB-CZ 4.46Å; D1390-F1394 WeakPolarHBondContact O-CD2 3.24Å; D1390-F1394 VanDerWaalsContact O-CG 3.25Å; D1390-F1394 WeakPolarHBondContact O-CG 3.39Å; D1390-F1394 PolarHBondContact O-N 3.41Å; R1391-F1394 PolarHBondContact O-N 3.09Å; F1394-A1396 PolarHBondContact O-N 3.36Å; F1394-R1397 PolarHBondContact O-N 3Å; F1394-A1398 WeakPolarHBondContact O-CB 3.28Å; F1394-A1398 PolarHBondContact O-N 3.27Å |
| 1395 | A | 87.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1379 R1391 L1392 R1397 A1398 I1399 L1422 | A1379-A1395 HydrophobicContact CB-CB 4.02Å; R1391-A1395 WeakPolarHBondContact O-CB 3.4Å; R1391-A1395 PolarHBondContact O-N 3.38Å; L1392-A1395 PolarHBondContact O-N 3.14Å; A1395-R1397 PolarHBondContact O-N 3.37Å; A1395-A1398 PolarHBondContact O-N 3.45Å; A1395-I1399 WeakPolarHBondContact O-CG1 3.35Å; A1395-I1399 PolarHBondContact O-N 3.3Å; A1395-I1399 VanDerWaalsContact O-N 3.1Å; A1395-L1422 HydrophobicContact CB-CB 4.48Å; A1395-L1422 HydrophobicContact CB-CD1 3.9Å |
| 1396 | A | 89.2 | Confident | 86.3 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1392 D1393 F1394 I1399 V1400 L1422 | L1392-A1396 WeakPolarHBondContact O-CB 3.34Å; L1392-A1396 PolarHBondContact O-N 3.49Å; D1393-A1396 PolarHBondContact O-N 3.36Å; F1394-A1396 PolarHBondContact O-N 3.36Å; A1396-I1399 PolarHBondContact O-N 2.96Å; A1396-V1400 WeakPolarHBondContact O-CG2 3.48Å; A1396-V1400 PolarHBondContact O-N 3.38Å; A1396-L1422 HydrophobicContact CB-CD1 4.37Å |
| 1397 | R | 90.4 | Very high | 86.4 | Confident | 122 Ų | 122 | 47.8 Ų | 47.8 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 175.7 | -72.8 | 174.2 | -169.2 | -139.3 | 3.7 | 112.4 | W1359 L1375 D1393 F1394 A1395 I1399 V1400 A1401 | W1359-R1397 VanDerWaalsContact CH2-NH1 3.26Å; L1375-R1397 HydrophobicContact CD1-CB 3.9Å; L1375-R1397 HydrophobicContact CD2-CB 4.45Å; D1393-R1397 WeakPolarHBondContact O-CB 3.4Å; D1393-R1397 VanDerWaalsContact O-CG 3.23Å; D1393-R1397 WeakPolarHBondContact O-CG 3.31Å; D1393-R1397 PolarHBondContact O-N 3.49Å; F1394-R1397 PolarHBondContact O-N 3Å; A1395-R1397 PolarHBondContact O-N 3.37Å; R1397-I1399 VanDerWaalsContact C-N 3.34Å; R1397-I1399 PolarHBondContact O-N 3.01Å; R1397-V1400 PolarHBondContact O-N 3.05Å; R1397-A1401 WeakPolarHBondContact O-CB 3.46Å; R1397-A1401 PolarHBondContact O-N 3.06Å |
| 1398 | A | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1372 L1375 F1394 A1395 V1400 A1401 V1402 L1418 | A1372-A1398 HydrophobicContact CB-CB 4.43Å; L1375-A1398 HydrophobicContact CB-CB 3.84Å; F1394-A1398 WeakPolarHBondContact O-CB 3.28Å; F1394-A1398 PolarHBondContact O-N 3.27Å; A1395-A1398 PolarHBondContact O-N 3.45Å; A1398-V1400 PolarHBondContact O-N 3.28Å; A1398-A1401 PolarHBondContact O-N 3.26Å; A1398-V1402 WeakPolarHBondContact O-CG2 3.45Å; A1398-V1402 PolarHBondContact O-N 3.35Å; A1398-L1418 HydrophobicContact CB-CD1 4.12Å; A1398-L1418 HydrophobicContact CB-CD2 4.31Å |
| 1399 | I | 88.8 | Confident | 86 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.2 | -65.6 | 164 | 0 | 0 | 0 | 111 | A1395 A1396 R1397 A1401 V1402 K1403 L1418 E1419 L1422 | A1395-I1399 WeakPolarHBondContact O-CG1 3.35Å; A1395-I1399 PolarHBondContact O-N 3.3Å; A1395-I1399 VanDerWaalsContact O-N 3.1Å; A1396-I1399 PolarHBondContact O-N 2.96Å; R1397-I1399 VanDerWaalsContact C-N 3.34Å; R1397-I1399 PolarHBondContact O-N 3.01Å; I1399-A1401 VanDerWaalsContact C-N 3.34Å; I1399-A1401 PolarHBondContact O-N 3.44Å; I1399-V1402 PolarHBondContact O-N 3.27Å; I1399-K1403 HydrophobicContact CG2-CD 3.81Å; I1399-K1403 HydrophobicContact CG2-CG 4.31Å; I1399-K1403 WeakPolarHBondContact O-CB 3.5Å; I1399-K1403 WeakPolarHBondContact O-CG 3.29Å; I1399-K1403 PolarHBondContact O-N 3.27Å; I1399-L1418 HydrophobicContact CD1-CB 4.34Å; I1399-L1418 HydrophobicContact CG1-CB 3.69Å; I1399-L1418 HydrophobicContact CG1-CD1 4.46Å; I1399-E1419 HydrophobicContact CD1-CG 4.03Å; I1399-L1422 HydrophobicContact CD1-CB 4.12Å; I1399-L1422 HydrophobicContact CD1-CD2 3.87Å |
| 1400 | V | 89.3 | Confident | 85.8 | Confident | 99 Ų | 99 | 53.1 Ų | 53.1 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | A1396 R1397 A1398 K1403 A1404 | A1396-V1400 WeakPolarHBondContact O-CG2 3.48Å; A1396-V1400 PolarHBondContact O-N 3.38Å; R1397-V1400 PolarHBondContact O-N 3.05Å; A1398-V1400 PolarHBondContact O-N 3.28Å; V1400-K1403 PolarHBondContact O-N 3.21Å; V1400-A1404 WeakPolarHBondContact O-CB 3.38Å; V1400-A1404 PolarHBondContact O-N 2.65Å |
| 1401 | A | 87 | Confident | 85.8 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1372 R1397 A1398 I1399 A1404 | A1372-A1401 HydrophobicContact CB-CB 4.19Å; R1397-A1401 WeakPolarHBondContact O-CB 3.46Å; R1397-A1401 PolarHBondContact O-N 3.06Å; A1398-A1401 PolarHBondContact O-N 3.26Å; I1399-A1401 VanDerWaalsContact C-N 3.34Å; I1399-A1401 PolarHBondContact O-N 3.44Å; A1401-A1404 PolarHBondContact O-N 3.16Å |
| 1402 | V | 87.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | A1372 A1398 I1399 A1404 L1405 Y1414 L1415 L1418 | A1372-V1402 HydrophobicContact CB-CG2 3.54Å; A1398-V1402 WeakPolarHBondContact O-CG2 3.45Å; A1398-V1402 PolarHBondContact O-N 3.35Å; I1399-V1402 PolarHBondContact O-N 3.27Å; V1402-A1404 PolarHBondContact O-N 3.11Å; V1402-L1405 WeakPolarHBondContact O-CB 3.42Å; V1402-L1405 PolarHBondContact O-N 2.92Å; V1402-L1405 VanDerWaalsContact O-N 3.07Å; V1402-Y1414 HydrophobicContact CG2-CD1 4.12Å; V1402-Y1414 HydrophobicContact CG2-CE1 3.89Å; V1402-L1415 HydrophobicContact CG1-CB 4.43Å; V1402-L1415 HydrophobicContact CG1-CD1 4.19Å; V1402-L1418 HydrophobicContact CG2-CD1 4.1Å |
| 1403 | K | 87.1 | Confident | 85.7 | Confident | 104 Ų | 104 | 63.1 Ų | 63.1 | 45% | 0.452 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -24.1 | 178.6 | -75.8 | -178.4 | 179.3 | 172.3 | 0 | 113.3 | I1399 V1400 L1405 Q1410 L1415 E1419 | I1399-K1403 HydrophobicContact CG2-CD 3.81Å; I1399-K1403 HydrophobicContact CG2-CG 4.31Å; I1399-K1403 WeakPolarHBondContact O-CB 3.5Å; I1399-K1403 WeakPolarHBondContact O-CG 3.29Å; I1399-K1403 PolarHBondContact O-N 3.27Å; V1400-K1403 PolarHBondContact O-N 3.21Å; K1403-L1405 VanDerWaalsContact C-N 3.31Å; K1403-Q1410 PolarHBondContact O-NE2 3.23Å; K1403-L1415 HydrophobicContact CD-CD1 4.4Å; K1403-L1415 HydrophobicContact CG-CD1 3.64Å; K1403-E1419 WeakPolarHBondContact CE-OE1 3.34Å; K1403-E1419 IonicContact NZ-OE1 3.65Å; K1403-E1419 PolarHBondContact NZ-OE1 2.94Å |
| 1404 | A | 85.1 | Confident | 85.7 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -9.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | V1400 A1401 V1402 | V1400-A1404 WeakPolarHBondContact O-CB 3.38Å; V1400-A1404 PolarHBondContact O-N 2.65Å; A1401-A1404 PolarHBondContact O-N 3.16Å; V1402-A1404 PolarHBondContact O-N 3.11Å |
| 1405 | L | 85.7 | Confident | 85.7 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -74.2 | 152.8 | 171.8 | -78.2 | 124.2 | 0 | 0 | 0 | 111.6 | R1368 L1369 V1402 K1403 Q1409 Q1410 | R1368-L1405 HydrophobicContact CB-CD1 3.86Å; R1368-L1405 HydrophobicContact CB-CG 4.08Å; L1369-L1405 HydrophobicContact CB-CD1 4.39Å; V1402-L1405 WeakPolarHBondContact O-CB 3.42Å; V1402-L1405 PolarHBondContact O-N 2.92Å; V1402-L1405 VanDerWaalsContact O-N 3.07Å; K1403-L1405 VanDerWaalsContact C-N 3.31Å; L1405-Q1409 HydrophobicContact CB-CB 4.49Å; L1405-Q1409 HydrophobicContact CD2-CB 4.14Å; L1405-Q1410 HydrophobicContact CB-CG 4.37Å; L1405-Q1410 PolarHBondContact O-NE2 3.06Å |
| 1406 | P | 81.7 | Confident | 85.6 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -56.1 | 145.3 | 171.6 | -21.5 | 32.4 | 0 | 0 | 0 | 111.7 | S1408 Q1409 Q1410 | P1406-S1408 PolarHBondContact O-N 3.09Å; P1406-Q1409 PolarHBondContact O-N 2.64Å; P1406-Q1410 PolarHBondContact O-N 2.72Å | ||
| 1407 | A | 79.3 | Confident | 85.5 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 74% | 0.736 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -22.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1409 | A1407-Q1409 VanDerWaalsContact C-N 3.33Š|
| 1408 | S | 79 | Confident | 85.4 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 78% | 0.783 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -17.9 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | P1406 | P1406-S1408 PolarHBondContact O-N 3.09Š|
| 1409 | Q | 78.8 | Confident | 85.4 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -111.9 | 1.6 | -177.7 | -66.3 | 178.7 | -12.8 | 0 | 0 | 112.5 | L1405 P1406 A1407 D1411 | L1405-Q1409 HydrophobicContact CB-CB 4.49Å; L1405-Q1409 HydrophobicContact CD2-CB 4.14Å; P1406-Q1409 PolarHBondContact O-N 2.64Å; A1407-Q1409 VanDerWaalsContact C-N 3.33Å; Q1409-D1411 PolarHBondContact O-N 2.65Å |
| 1410 | Q | 82.2 | Confident | 85.3 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | trans | -80.1 | 109.2 | 175.6 | -68.3 | -175.1 | 1.2 | 0 | 0 | 109.6 | K1403 L1405 P1406 L1412 | K1403-Q1410 PolarHBondContact O-NE2 3.23Å; L1405-Q1410 HydrophobicContact CB-CG 4.37Å; L1405-Q1410 PolarHBondContact O-NE2 3.06Å; P1406-Q1410 PolarHBondContact O-N 2.72Å; Q1410-L1412 PolarHBondContact O-N 3.37Å | ||
| 1411 | D | 83.8 | Confident | 85.2 | Confident | 86 Ų | 86 | 69 Ų | 69 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | trans | -74.3 | 103.7 | 166.7 | -173.8 | -19.1 | 0 | 0 | 0 | 108.8 | Q1409 D1413 Y1414 L1415 | Q1409-D1411 PolarHBondContact O-N 2.65Å; D1411-D1413 VanDerWaalsContact C-N 3.27Å; D1411-D1413 PolarHBondContact O-N 2.96Å; D1411-D1413 PolarHBondContact OD1-N 3.44Å; D1411-D1413 VanDerWaalsContact OD1-N 3.08Å; D1411-Y1414 PolarHBondContact O-N 3.43Å; D1411-Y1414 PolarHBondContact OD1-N 3.26Å; D1411-Y1414 VanDerWaalsContact OD1-N 3.16Å; D1411-L1415 WeakPolarHBondContact O-CB 3.04Å; D1411-L1415 PolarHBondContact O-N 3.33Å | ||
| 1412 | L | 84.2 | Confident | 85.2 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.9 | -29 | -176.4 | -66.1 | 178.7 | 0 | 0 | 0 | 112.4 | Q1410 R1416 | Q1410-L1412 PolarHBondContact O-N 3.37Å; L1412-R1416 VanDerWaalsContact O-CG 3.29Å; L1412-R1416 WeakPolarHBondContact O-CG 3.42Å; L1412-R1416 PolarHBondContact O-N 3.49Å; L1412-R1416 VanDerWaalsContact O-N 3.15Å |
| 1413 | D | 85.4 | Confident | 85.1 | Confident | 104 Ų | 104 | 75.6 Ų | 75.6 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -76.2 | -43.5 | 179 | -68.8 | -27.1 | 0 | 0 | 0 | 109.6 | D1411 L1415 R1416 D1417 | D1411-D1413 VanDerWaalsContact C-N 3.27Å; D1411-D1413 PolarHBondContact O-N 2.96Å; D1411-D1413 PolarHBondContact OD1-N 3.44Å; D1411-D1413 VanDerWaalsContact OD1-N 3.08Å; D1413-L1415 VanDerWaalsContact C-N 3.3Å; D1413-L1415 PolarHBondContact O-N 3.47Å; D1413-R1416 PolarHBondContact O-N 3.32Å; D1413-R1416 IonicContact OD1-NH1 3.41Å; D1413-D1417 PolarHBondContact O-N 2.93Å |
| 1414 | Y | 88.3 | Confident | 85.2 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 13% | 0.125 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.5 | -39.8 | 172.5 | -176.1 | -118.7 | 0 | 0 | 0 | 112.8 | E1376 V1402 D1411 D1417 L1418 | E1376-Y1414 WeakPolarHBondContact OE2-CE2 3.43Å; E1376-Y1414 VanDerWaalsContact OE2-CZ 3.28Å; E1376-Y1414 PolarHBondContact OE2-OH 2.91Å; V1402-Y1414 HydrophobicContact CG2-CD1 4.12Å; V1402-Y1414 HydrophobicContact CG2-CE1 3.89Å; D1411-Y1414 PolarHBondContact O-N 3.43Å; D1411-Y1414 PolarHBondContact OD1-N 3.26Å; D1411-Y1414 VanDerWaalsContact OD1-N 3.16Å; Y1414-D1417 PolarHBondContact O-N 3.44Å; Y1414-L1418 HydrophobicContact CD1-CD1 4.14Å; Y1414-L1418 HydrophobicContact CE1-CD1 3.7Å; Y1414-L1418 HydrophobicContact CE1-CG 4.39Å; Y1414-L1418 HydrophobicContact CE2-CG 4.49Å; Y1414-L1418 WeakPolarHBondContact O-CG 3.32Å; Y1414-L1418 PolarHBondContact O-N 3.48Å; Y1414-L1418 VanDerWaalsContact O-N 3.08Å |
| 1415 | L | 88.5 | Confident | 85.2 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 177 | -175.5 | 151.9 | 0 | 0 | 0 | 111.9 | V1402 K1403 D1411 D1413 D1417 L1418 E1419 | V1402-L1415 HydrophobicContact CG1-CB 4.43Å; V1402-L1415 HydrophobicContact CG1-CD1 4.19Å; K1403-L1415 HydrophobicContact CD-CD1 4.4Å; K1403-L1415 HydrophobicContact CG-CD1 3.64Å; D1411-L1415 WeakPolarHBondContact O-CB 3.04Å; D1411-L1415 PolarHBondContact O-N 3.33Å; D1413-L1415 VanDerWaalsContact C-N 3.3Å; D1413-L1415 PolarHBondContact O-N 3.47Å; L1415-D1417 VanDerWaalsContact C-N 3.35Å; L1415-L1418 PolarHBondContact O-N 2.97Å; L1415-E1419 VanDerWaalsContact CD2-CD 3.49Å; L1415-E1419 HydrophobicContact CD2-CG 4.2Å; L1415-E1419 WeakPolarHBondContact CD2-OE1 3.38Å; L1415-E1419 WeakPolarHBondContact O-CG 3.25Å; L1415-E1419 PolarHBondContact O-N 3.35Å |
| 1416 | R | 86.6 | Confident | 85.4 | Confident | 151 Ų | 151 | 72.6 Ų | 72.6 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 175.3 | -74.8 | 172 | -176.4 | 176.1 | 3.6 | 111.5 | L1412 D1413 L1418 E1419 V1420 | L1412-R1416 VanDerWaalsContact O-CG 3.29Å; L1412-R1416 WeakPolarHBondContact O-CG 3.42Å; L1412-R1416 PolarHBondContact O-N 3.49Å; L1412-R1416 VanDerWaalsContact O-N 3.15Å; D1413-R1416 PolarHBondContact O-N 3.32Å; D1413-R1416 IonicContact OD1-NH1 3.41Å; R1416-L1418 VanDerWaalsContact C-N 3.32Å; R1416-L1418 PolarHBondContact O-N 3.3Å; R1416-E1419 PolarHBondContact O-N 2.95Å; R1416-V1420 WeakPolarHBondContact O-CG2 3.47Å; R1416-V1420 PolarHBondContact O-N 3.24Å |
| 1417 | D | 87 | Confident | 85.7 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.3 | -76.7 | -7.9 | 0 | 0 | 0 | 112 | D1413 Y1414 L1415 R1421 | D1413-D1417 PolarHBondContact O-N 2.93Å; Y1414-D1417 PolarHBondContact O-N 3.44Å; L1415-D1417 VanDerWaalsContact C-N 3.35Å; D1417-R1421 WeakPolarHBondContact O-CG 3.49Å; D1417-R1421 PolarHBondContact O-N 3.46Å; D1417-R1421 VanDerWaalsContact O-N 3.09Å |
| 1418 | L | 88.8 | Confident | 86.2 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 174.1 | -69.2 | 175 | 0 | 0 | 0 | 112.5 | E1376 A1398 I1399 V1402 Y1414 L1415 R1416 R1421 L1422 | E1376-L1418 HydrophobicContact CB-CD2 3.92Å; E1376-L1418 HydrophobicContact CG-CD2 3.8Å; A1398-L1418 HydrophobicContact CB-CD1 4.12Å; A1398-L1418 HydrophobicContact CB-CD2 4.31Å; I1399-L1418 HydrophobicContact CD1-CB 4.34Å; I1399-L1418 HydrophobicContact CG1-CB 3.69Å; I1399-L1418 HydrophobicContact CG1-CD1 4.46Å; V1402-L1418 HydrophobicContact CG2-CD1 4.1Å; Y1414-L1418 HydrophobicContact CD1-CD1 4.14Å; Y1414-L1418 HydrophobicContact CE1-CD1 3.7Å; Y1414-L1418 HydrophobicContact CE1-CG 4.39Å; Y1414-L1418 HydrophobicContact CE2-CG 4.49Å; Y1414-L1418 WeakPolarHBondContact O-CG 3.32Å; Y1414-L1418 PolarHBondContact O-N 3.48Å; Y1414-L1418 VanDerWaalsContact O-N 3.08Å; L1415-L1418 PolarHBondContact O-N 2.97Å; R1416-L1418 VanDerWaalsContact C-N 3.32Å; R1416-L1418 PolarHBondContact O-N 3.3Å; L1418-R1421 PolarHBondContact O-N 2.91Å; L1418-L1422 PolarHBondContact O-N 3.41Å |
| 1419 | E | 89.5 | Confident | 86.7 | Confident | 71 Ų | 71 | 63 Ų | 63 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 176.3 | -74.2 | 179.1 | 164.3 | 0 | 0 | 111.6 | I1399 K1403 L1415 R1416 R1421 L1422 E1423 | I1399-E1419 HydrophobicContact CD1-CG 4.03Å; K1403-E1419 WeakPolarHBondContact CE-OE1 3.34Å; K1403-E1419 IonicContact NZ-OE1 3.65Å; K1403-E1419 PolarHBondContact NZ-OE1 2.94Å; L1415-E1419 VanDerWaalsContact CD2-CD 3.49Å; L1415-E1419 HydrophobicContact CD2-CG 4.2Å; L1415-E1419 WeakPolarHBondContact CD2-OE1 3.38Å; L1415-E1419 WeakPolarHBondContact O-CG 3.25Å; L1415-E1419 PolarHBondContact O-N 3.35Å; R1416-E1419 PolarHBondContact O-N 2.95Å; E1419-R1421 VanDerWaalsContact C-N 3.35Å; E1419-R1421 PolarHBondContact O-N 3.23Å; E1419-L1422 PolarHBondContact O-N 2.97Å; E1419-E1423 PolarHBondContact O-N 2.94Å |
| 1420 | V | 86.9 | Confident | 87.1 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | R1416 L1422 E1423 L1424 | R1416-V1420 WeakPolarHBondContact O-CG2 3.47Å; R1416-V1420 PolarHBondContact O-N 3.24Å; V1420-L1422 PolarHBondContact O-N 3.25Å; V1420-E1423 PolarHBondContact O-N 3.02Å; V1420-L1424 HydrophobicContact CG1-CD1 4.44Å; V1420-L1424 WeakPolarHBondContact O-CG 3.5Å; V1420-L1424 PolarHBondContact O-N 3.39Å |
| 1421 | R | 86.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 177.5 | -70.3 | -179.6 | -159.8 | 117.9 | -6.6 | 112.6 | E1376 D1417 L1418 E1419 E1423 L1424 A1425 L1496 | E1376-R1421 IonicContact OE1-CZ 2.7Å; E1376-R1421 IonicContact OE1-NH1 3.72Å; E1376-R1421 PolarHBondContact OE1-NH1 3.34Å; E1376-R1421 IonicContact OE1-NH2 3.27Å; E1376-R1421 PolarHBondContact OE1-NH2 3.4Å; D1417-R1421 WeakPolarHBondContact O-CG 3.49Å; D1417-R1421 PolarHBondContact O-N 3.46Å; D1417-R1421 VanDerWaalsContact O-N 3.09Å; L1418-R1421 PolarHBondContact O-N 2.91Å; E1419-R1421 VanDerWaalsContact C-N 3.35Å; E1419-R1421 PolarHBondContact O-N 3.23Å; R1421-E1423 VanDerWaalsContact C-N 3.35Å; R1421-L1424 PolarHBondContact O-N 2.91Å; R1421-A1425 WeakPolarHBondContact O-CB 3.48Å; R1421-A1425 PolarHBondContact O-N 3.12Å; R1421-L1496 HydrophobicContact CB-CD2 3.88Å; R1421-L1496 HydrophobicContact CG-CD2 4.01Å |
| 1422 | L | 87.5 | Confident | 87.4 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 173.7 | -176.2 | 71.9 | 0 | 0 | 0 | 111 | L1392 A1395 A1396 I1399 L1418 E1419 V1420 A1425 Q1426 | L1392-L1422 HydrophobicContact CD2-CD1 3.79Å; A1395-L1422 HydrophobicContact CB-CB 4.48Å; A1395-L1422 HydrophobicContact CB-CD1 3.9Å; A1396-L1422 HydrophobicContact CB-CD1 4.37Å; I1399-L1422 HydrophobicContact CD1-CB 4.12Å; I1399-L1422 HydrophobicContact CD1-CD2 3.87Å; L1418-L1422 PolarHBondContact O-N 3.41Å; E1419-L1422 PolarHBondContact O-N 2.97Å; V1420-L1422 PolarHBondContact O-N 3.25Å; L1422-A1425 PolarHBondContact O-N 3.33Å; L1422-Q1426 WeakPolarHBondContact O-CG 3.5Å; L1422-Q1426 PolarHBondContact O-N 3.48Å |
| 1423 | E | 86.1 | Confident | 87.6 | Confident | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.9 | -44.5 | 175.1 | -71.4 | -173.5 | 172.8 | 0 | 0 | 112 | E1419 V1420 R1421 A1425 Q1426 L1427 | E1419-E1423 PolarHBondContact O-N 2.94Å; V1420-E1423 PolarHBondContact O-N 3.02Å; R1421-E1423 VanDerWaalsContact C-N 3.35Å; E1423-A1425 VanDerWaalsContact C-N 3.34Å; E1423-A1425 PolarHBondContact O-N 2.99Å; E1423-Q1426 PolarHBondContact O-N 3.19Å; E1423-L1427 WeakPolarHBondContact O-CG 3.42Å; E1423-L1427 PolarHBondContact O-N 3.39Å |
| 1424 | L | 88.1 | Confident | 87.5 | Confident | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 175.2 | -70.8 | 174.7 | 0 | 0 | 0 | 112.1 | V1420 R1421 Q1426 L1427 Q1428 L1496 V1499 M1502 | V1420-L1424 HydrophobicContact CG1-CD1 4.44Å; V1420-L1424 WeakPolarHBondContact O-CG 3.5Å; V1420-L1424 PolarHBondContact O-N 3.39Å; R1421-L1424 PolarHBondContact O-N 2.91Å; L1424-Q1426 VanDerWaalsContact C-N 3.32Å; L1424-Q1426 PolarHBondContact O-N 3.01Å; L1424-L1427 WeakPolarHBondContact O-CB 3.39Å; L1424-L1427 PolarHBondContact O-N 3.21Å; L1424-Q1428 PolarHBondContact O-N 3.48Å; L1424-L1496 HydrophobicContact CB-CD1 4.38Å; L1424-L1496 HydrophobicContact CB-CD2 3.99Å; L1424-L1496 HydrophobicContact CB-CG 4.19Å; L1424-L1496 HydrophobicContact CD1-CD2 4.2Å; L1424-V1499 HydrophobicContact CD2-CG2 3.45Å; L1424-V1499 VanDerWaalsContact CD2-CG2 3.45Å; L1424-M1502 HydrophobicContact CD2-CE 4.11Å |
| 1425 | A | 86.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1392 R1421 L1422 E1423 Q1428 Q1429 L1496 | L1392-A1425 HydrophobicContact CD2-CB 3.39Å; L1392-A1425 HydrophobicContact CG-CB 3.92Å; R1421-A1425 WeakPolarHBondContact O-CB 3.48Å; R1421-A1425 PolarHBondContact O-N 3.12Å; L1422-A1425 PolarHBondContact O-N 3.33Å; E1423-A1425 VanDerWaalsContact C-N 3.34Å; E1423-A1425 PolarHBondContact O-N 2.99Å; A1425-Q1428 PolarHBondContact O-N 3.28Å; A1425-Q1429 WeakPolarHBondContact O-CB 3.46Å; A1425-Q1429 PolarHBondContact O-N 3.13Å; A1425-L1496 HydrophobicContact CB-CD1 3.56Å |
| 1426 | Q | 89.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.5 | -72.1 | 175.7 | 6.4 | 0 | 0 | 111.6 | L1392 L1422 E1423 L1424 Q1429 M1430 | L1392-Q1426 HydrophobicContact CD2-CG 3.75Å; L1422-Q1426 WeakPolarHBondContact O-CG 3.5Å; L1422-Q1426 PolarHBondContact O-N 3.48Å; E1423-Q1426 PolarHBondContact O-N 3.19Å; L1424-Q1426 VanDerWaalsContact C-N 3.32Å; L1424-Q1426 PolarHBondContact O-N 3.01Å; Q1426-Q1429 PolarHBondContact O-N 3.49Å; Q1426-M1430 WeakPolarHBondContact O-CB 3.39Å; Q1426-M1430 PolarHBondContact O-N 2.97Å |
| 1427 | L | 88.4 | Confident | 87 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 174.7 | -68.1 | 167.8 | 0 | 0 | 0 | 111.6 | E1423 L1424 Q1429 M1430 L1431 M1502 F1518 L1519 A1522 | E1423-L1427 WeakPolarHBondContact O-CG 3.42Å; E1423-L1427 PolarHBondContact O-N 3.39Å; L1424-L1427 WeakPolarHBondContact O-CB 3.39Å; L1424-L1427 PolarHBondContact O-N 3.21Å; L1427-Q1429 VanDerWaalsContact C-N 3.32Å; L1427-Q1429 PolarHBondContact O-N 3.33Å; L1427-M1430 HydrophobicContact CD2-CE 4.06Å; L1427-M1430 PolarHBondContact O-N 2.65Å; L1427-L1431 PolarHBondContact O-N 2.95Å; L1427-M1502 HydrophobicContact CB-CE 4.12Å; L1427-M1502 HydrophobicContact CB-SD 4.39Å; L1427-F1518 HydrophobicContact CD2-CB 4.21Å; L1427-L1519 HydrophobicContact CB-CD2 4.16Å; L1427-L1519 HydrophobicContact CD1-CD2 4.37Å; L1427-A1522 HydrophobicContact CD1-CB 3.43Å; L1427-A1522 VanDerWaalsContact CD1-CB 3.43Å |
| 1428 | Q | 89.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 175.3 | -169 | 168.2 | -26.7 | 0 | 0 | 111.9 | L1388 L1424 A1425 L1431 T1432 L1491 P1495 M1502 | L1388-Q1428 HydrophobicContact CD1-CB 4.47Å; L1388-Q1428 HydrophobicContact CD1-CG 4.36Å; L1388-Q1428 HydrophobicContact CD2-CB 4.12Å; L1388-Q1428 HydrophobicContact CD2-CG 3.91Å; L1424-Q1428 PolarHBondContact O-N 3.48Å; A1425-Q1428 PolarHBondContact O-N 3.28Å; Q1428-L1431 PolarHBondContact O-N 3.36Å; Q1428-T1432 WeakPolarHBondContact O-CB 3.44Å; Q1428-T1432 PolarHBondContact O-N 3.38Å; Q1428-T1432 PolarHBondContact O-OG1 3.37Å; Q1428-L1491 HydrophobicContact CG-CD2 3.94Å; Q1428-L1491 PolarHBondContact NE2-O 3.04Å; Q1428-P1495 PolarHBondContact NE2-O 3.46Å; Q1428-M1502 HydrophobicContact CB-SD 3.77Å; Q1428-M1502 HydrophobicContact CG-SD 4.31Å |
| 1429 | Q | 88.3 | Confident | 86.4 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -42.1 | 177.4 | -170.4 | -172.2 | 32.3 | 0 | 0 | 111.5 | L1388 L1392 A1425 Q1426 L1427 T1432 N1433 | L1388-Q1429 VanDerWaalsContact CD2-CA 3.45Å; L1388-Q1429 HydrophobicContact CD2-CB 3.8Å; L1388-Q1429 HydrophobicContact CD2-CG 4.39Å; L1388-Q1429 HydrophobicContact CG-CB 4.4Å; L1392-Q1429 HydrophobicContact CD1-CB 3.99Å; L1392-Q1429 VanDerWaalsContact CD1-CD 3.43Å; L1392-Q1429 HydrophobicContact CD1-CG 4.15Å; A1425-Q1429 WeakPolarHBondContact O-CB 3.46Å; A1425-Q1429 PolarHBondContact O-N 3.13Å; Q1426-Q1429 PolarHBondContact O-N 3.49Å; L1427-Q1429 VanDerWaalsContact C-N 3.32Å; L1427-Q1429 PolarHBondContact O-N 3.33Å; Q1429-T1432 WeakPolarHBondContact O-CB 3.23Å; Q1429-T1432 PolarHBondContact O-N 3.36Å; Q1429-N1433 WeakPolarHBondContact O-CB 3.42Å; Q1429-N1433 VanDerWaalsContact O-CG 3.27Å; Q1429-N1433 PolarHBondContact O-N 3Å; Q1429-N1433 PolarHBondContact O-ND2 3.26Å |
| 1430 | M | 87.3 | Confident | 85.9 | Confident | 43 Ų | 43 | 51 Ų | 51 | 21% | 0.212 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 174.2 | 175.8 | -163.4 | 69.4 | 0 | 0 | 111.2 | Q1426 L1427 T1432 N1433 E1434 F1518 | Q1426-M1430 WeakPolarHBondContact O-CB 3.39Å; Q1426-M1430 PolarHBondContact O-N 2.97Å; L1427-M1430 HydrophobicContact CD2-CE 4.06Å; L1427-M1430 PolarHBondContact O-N 2.65Å; M1430-T1432 VanDerWaalsContact C-N 3.33Å; M1430-T1432 PolarHBondContact O-N 3.46Å; M1430-N1433 PolarHBondContact O-N 3.46Å; M1430-E1434 PolarHBondContact O-N 3.38Å; M1430-F1518 HydrophobicContact CE-CB 3.6Å; M1430-F1518 HydrophobicContact CE-CD2 4.04Å; M1430-F1518 HydrophobicContact CE-CG 4.14Å; M1430-F1518 HydrophobicContact SD-CB 3.8Å; M1430-F1518 HydrophobicContact SD-CD2 3.28Å; M1430-F1518 WeakPolarHBondContact SD-CD2 3.43Å; M1430-F1518 HydrophobicContact SD-CE2 3.95Å; M1430-F1518 HydrophobicContact SD-CG 3.65Å |
| 1431 | L | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 175.2 | -176.8 | 90.6 | 0 | 0 | 0 | 111.9 | L1427 Q1428 N1433 E1434 L1435 L1491 Y1506 A1507 L1512 | L1427-L1431 PolarHBondContact O-N 2.95Å; Q1428-L1431 PolarHBondContact O-N 3.36Å; L1431-N1433 VanDerWaalsContact C-N 3.33Å; L1431-N1433 PolarHBondContact O-N 2.98Å; L1431-E1434 PolarHBondContact O-N 3.49Å; L1431-L1435 PolarHBondContact O-N 3.43Å; L1431-L1491 HydrophobicContact CD2-CD1 3.5Å; L1431-L1491 HydrophobicContact CD2-CD2 3.56Å; L1431-L1491 HydrophobicContact CD2-CG 4.19Å; L1431-L1491 HydrophobicContact CG-CD1 4.23Å; L1431-Y1506 HydrophobicContact CD2-CD2 4.43Å; L1431-Y1506 HydrophobicContact CD2-CG 4.09Å; L1431-A1507 HydrophobicContact CD1-CB 3.83Å; L1431-L1512 HydrophobicContact CD1-CD1 3.98Å |
| 1432 | T | 86.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62 | -42 | 177.3 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Q1428 Q1429 M1430 L1435 K1436 L1488 T1492 | Q1428-T1432 WeakPolarHBondContact O-CB 3.44Å; Q1428-T1432 PolarHBondContact O-N 3.38Å; Q1428-T1432 PolarHBondContact O-OG1 3.37Å; Q1429-T1432 WeakPolarHBondContact O-CB 3.23Å; Q1429-T1432 PolarHBondContact O-N 3.36Å; M1430-T1432 VanDerWaalsContact C-N 3.33Å; M1430-T1432 PolarHBondContact O-N 3.46Å; T1432-L1435 PolarHBondContact O-N 3.47Å; T1432-K1436 HydrophobicContact CG2-CD 4.44Å; T1432-K1436 WeakPolarHBondContact O-CG 3.48Å; T1432-K1436 PolarHBondContact O-N 3.44Å; T1432-L1488 HydrophobicContact CG2-CD2 3.92Å; T1432-T1492 HydrophobicContact CG2-CG2 3.62Å |
| 1433 | N | 86.8 | Confident | 83.1 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 179 | -72.7 | -22.3 | 0 | 0 | 0 | 111.7 | Q1429 M1430 L1431 K1436 Q1437 | Q1429-N1433 WeakPolarHBondContact O-CB 3.42Å; Q1429-N1433 VanDerWaalsContact O-CG 3.27Å; Q1429-N1433 PolarHBondContact O-N 3Å; Q1429-N1433 PolarHBondContact O-ND2 3.26Å; M1430-N1433 PolarHBondContact O-N 3.46Å; L1431-N1433 VanDerWaalsContact C-N 3.33Å; L1431-N1433 PolarHBondContact O-N 2.98Å; N1433-K1436 PolarHBondContact O-N 3.02Å; N1433-Q1437 WeakPolarHBondContact O-CG 3.46Å; N1433-Q1437 PolarHBondContact O-N 2.95Å |
| 1434 | E | 84.6 | Confident | 81.6 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 173.3 | -82.9 | -173.2 | -129.3 | 0 | 0 | 112.3 | M1430 L1431 K1436 Q1437 L1438 L1512 E1514 S1515 | M1430-E1434 PolarHBondContact O-N 3.38Å; L1431-E1434 PolarHBondContact O-N 3.49Å; E1434-K1436 PolarHBondContact O-N 3.31Å; E1434-Q1437 WeakPolarHBondContact O-CB 3.48Å; E1434-Q1437 PolarHBondContact O-N 3.02Å; E1434-L1438 WeakPolarHBondContact O-CB 3.3Å; E1434-L1438 PolarHBondContact O-N 2.99Å; E1434-L1512 HydrophobicContact CB-CD1 4.22Å; E1434-L1512 HydrophobicContact CB-CD2 4.19Å; E1434-E1514 VanDerWaalsContact OE1-CB 3.27Å; E1434-E1514 WeakPolarHBondContact OE1-CB 3.36Å; E1434-S1515 WeakPolarHBondContact OE1-CB 3.48Å; E1434-S1515 PolarHBondContact OE1-N 3.14Å; E1434-S1515 PolarHBondContact OE1-OG 3.3Å; E1434-S1515 PolarHBondContact OE2-N 2.6Å; E1434-S1515 PolarHBondContact OE2-OG 3.37Å |
| 1435 | L | 85.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 174.6 | -78.7 | 171.5 | 0 | 0 | 0 | 112.4 | L1431 T1432 Q1437 L1438 K1439 A1487 L1488 L1491 F1510 L1512 | L1431-L1435 PolarHBondContact O-N 3.43Å; T1432-L1435 PolarHBondContact O-N 3.47Å; L1435-Q1437 VanDerWaalsContact C-N 3.28Å; L1435-Q1437 PolarHBondContact O-N 3.21Å; L1435-L1438 PolarHBondContact O-N 3.28Å; L1435-K1439 PolarHBondContact O-N 3.47Å; L1435-A1487 HydrophobicContact CD1-CB 4.41Å; L1435-L1488 HydrophobicContact CB-CD2 3.64Å; L1435-L1488 HydrophobicContact CB-CG 4.25Å; L1435-L1488 HydrophobicContact CD1-CD2 4.48Å; L1435-L1491 HydrophobicContact CD1-CD1 3.31Å; L1435-F1510 HydrophobicContact CD2-CB 3.85Å; L1435-F1510 HydrophobicContact CD2-CD1 4.32Å; L1435-F1510 HydrophobicContact CD2-CD2 3.67Å; L1435-F1510 HydrophobicContact CD2-CE2 4.3Å; L1435-F1510 HydrophobicContact CD2-CG 3.69Å; L1435-L1512 HydrophobicContact CD2-CD1 3.75Å; L1435-L1512 HydrophobicContact CG-CD1 3.69Å |
| 1436 | K | 84.9 | Confident | 77.2 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 174.6 | -75.6 | 175.5 | -178.7 | 173 | 0 | 111.4 | T1432 N1433 E1434 K1440 L1488 | T1432-K1436 HydrophobicContact CG2-CD 4.44Å; T1432-K1436 WeakPolarHBondContact O-CG 3.48Å; T1432-K1436 PolarHBondContact O-N 3.44Å; N1433-K1436 PolarHBondContact O-N 3.02Å; E1434-K1436 PolarHBondContact O-N 3.31Å; K1436-K1440 WeakPolarHBondContact O-CG 3.2Å; K1436-K1440 PolarHBondContact O-N 3.01Å; K1436-K1440 VanDerWaalsContact O-N 3.15Å; K1436-L1488 HydrophobicContact CG-CD1 4.18Å; K1436-L1488 HydrophobicContact CG-CD2 3.72Å |
| 1437 | Q | 82 | Confident | 74.6 | Confident | 118 Ų | 118 | 74 Ų | 74 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 175.3 | -71.1 | 176.8 | 8.2 | 0 | 0 | 111.7 | N1433 E1434 L1435 K1440 Q1441 | N1433-Q1437 WeakPolarHBondContact O-CG 3.46Å; N1433-Q1437 PolarHBondContact O-N 2.95Å; E1434-Q1437 WeakPolarHBondContact O-CB 3.48Å; E1434-Q1437 PolarHBondContact O-N 3.02Å; L1435-Q1437 VanDerWaalsContact C-N 3.28Å; L1435-Q1437 PolarHBondContact O-N 3.21Å; Q1437-K1440 WeakPolarHBondContact O-CB 3.37Å; Q1437-K1440 PolarHBondContact O-N 3.09Å; Q1437-Q1441 WeakPolarHBondContact O-CG 3.3Å; Q1437-Q1441 PolarHBondContact O-N 2.87Å |
| 1438 | L | 82 | Confident | 71.8 | Confident | 24 Ų | 24 | 84 Ų | 84 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.5 | -172.2 | 140.1 | 0 | 0 | 0 | 112 | E1434 L1435 K1440 Q1441 L1442 I1484 L1512 | E1434-L1438 WeakPolarHBondContact O-CB 3.3Å; E1434-L1438 PolarHBondContact O-N 2.99Å; L1435-L1438 PolarHBondContact O-N 3.28Å; L1438-K1440 PolarHBondContact O-N 2.99Å; L1438-Q1441 PolarHBondContact O-N 3.25Å; L1438-L1442 HydrophobicContact CD2-CD1 3.52Å; L1438-L1442 HydrophobicContact CG-CD1 4.4Å; L1438-L1442 PolarHBondContact O-N 3.39Å; L1438-I1484 HydrophobicContact CD2-CD1 3.57Å; L1438-I1484 HydrophobicContact CD2-CG1 4.41Å; L1438-L1512 HydrophobicContact CB-CD2 4.5Å; L1438-L1512 HydrophobicContact CD1-CD2 3.73Å |
| 1439 | K | 81.1 | Confident | 69.1 | Low | 69 Ų | 69 | 91.9 Ų | 91.9 | 30% | 0.3 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 172 | -170.8 | -176.7 | -179.8 | 179.9 | 0 | 111.7 | L1435 Q1441 L1442 S1443 I1484 D1485 L1488 | L1435-K1439 PolarHBondContact O-N 3.47Å; K1439-Q1441 VanDerWaalsContact C-N 3.3Å; K1439-Q1441 PolarHBondContact O-N 2.89Å; K1439-L1442 PolarHBondContact O-N 3.21Å; K1439-S1443 PolarHBondContact O-N 2.85Å; K1439-S1443 PolarHBondContact O-OG 3.21Å; K1439-I1484 HydrophobicContact CB-CG2 4Å; K1439-I1484 HydrophobicContact CD-CG2 4.47Å; K1439-I1484 HydrophobicContact CG-CG2 4.33Å; K1439-D1485 WeakPolarHBondContact CD-OD1 3.49Å; K1439-D1485 WeakPolarHBondContact CE-OD1 3.48Å; K1439-D1485 WeakPolarHBondContact CE-OD2 3.44Å; K1439-D1485 IonicContact NZ-OD1 3.58Å; K1439-D1485 PolarHBondContact NZ-OD1 3.21Å; K1439-D1485 IonicContact NZ-OD2 3.54Å; K1439-D1485 PolarHBondContact NZ-OD2 3.47Å; K1439-L1488 HydrophobicContact CD-CD1 4.18Å |
| 1440 | K | 77.9 | Confident | 66.4 | Low | 144 Ų | 144 | 99 Ų | 99 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.6 | -44.6 | 176.5 | -75.4 | 178.8 | -178.8 | -178 | 0 | 110.7 | K1436 Q1437 L1438 L1442 S1443 Y1444 | K1436-K1440 WeakPolarHBondContact O-CG 3.2Å; K1436-K1440 PolarHBondContact O-N 3.01Å; K1436-K1440 VanDerWaalsContact O-N 3.15Å; Q1437-K1440 WeakPolarHBondContact O-CB 3.37Å; Q1437-K1440 PolarHBondContact O-N 3.09Å; L1438-K1440 PolarHBondContact O-N 2.99Å; K1440-L1442 PolarHBondContact O-N 3.15Å; K1440-S1443 PolarHBondContact O-N 3.15Å; K1440-S1443 PolarHBondContact O-OG 3.46Å; K1440-Y1444 WeakPolarHBondContact O-CD2 3.3Å |
| 1441 | Q | 71.4 | Confident | 63.9 | Low | 102 Ų | 102 | 104.2 Ų | 104.2 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 177.7 | -71.4 | 176.3 | -10.3 | 0 | 0 | 113.2 | Q1437 L1438 K1439 | Q1437-Q1441 WeakPolarHBondContact O-CG 3.3Å; Q1437-Q1441 PolarHBondContact O-N 2.87Å; L1438-Q1441 PolarHBondContact O-N 3.25Å; K1439-Q1441 VanDerWaalsContact C-N 3.3Å; K1439-Q1441 PolarHBondContact O-N 2.89Å |
| 1442 | L | 69.2 | Low | 61.2 | Low | 79 Ų | 79 | 113.5 Ų | 113.5 | 41% | 0.414 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.9 | -31 | 177.8 | -80.2 | 160 | 0 | 0 | 0 | 113.6 | L1438 K1439 K1440 Y1444 I1480 I1484 | L1438-L1442 HydrophobicContact CD2-CD1 3.52Å; L1438-L1442 HydrophobicContact CG-CD1 4.4Å; L1438-L1442 PolarHBondContact O-N 3.39Å; K1439-L1442 PolarHBondContact O-N 3.21Å; K1440-L1442 PolarHBondContact O-N 3.15Å; L1442-Y1444 VanDerWaalsContact C-N 3.33Å; L1442-Y1444 PolarHBondContact O-N 3.49Å; L1442-I1480 HydrophobicContact CD1-CG2 4.35Å; L1442-I1484 HydrophobicContact CD1-CD1 3.54Å |
| 1443 | S | 63 | Low | 58.5 | Low | 75 Ų | 75 | 122 Ų | 122 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.8 | -20.3 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | K1439 K1440 Q1445 | K1439-S1443 PolarHBondContact O-N 2.85Å; K1439-S1443 PolarHBondContact O-OG 3.21Å; K1440-S1443 PolarHBondContact O-N 3.15Å; K1440-S1443 PolarHBondContact O-OG 3.46Å; S1443-Q1445 PolarHBondContact O-N 2.67Å |
| 1444 | Y | 52.6 | Low | 55.9 | Low | 151 Ų | 151 | 125.1 Ų | 125.1 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | trans | -90.4 | 66.3 | 175.2 | -84.1 | -93.7 | 0 | 0 | 0 | 111.6 | K1440 L1442 | K1440-Y1444 WeakPolarHBondContact O-CD2 3.3Å; L1442-Y1444 VanDerWaalsContact C-N 3.33Å; L1442-Y1444 PolarHBondContact O-N 3.49Å | ||
| 1445 | Q | 44.4 | Very low | 53.5 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | trans | -113.4 | 128.8 | 157.5 | -75.1 | -145.7 | -4.8 | 0 | 0 | 110 | S1443 K1447 | S1443-Q1445 PolarHBondContact O-N 2.67Å; Q1445-K1447 PolarHBondContact O-N 2.99Å | ||
| 1446 | P | 38.6 | Very low | 50.8 | Low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -75.2 | 116.5 | -170.6 | 28.9 | -31.8 | 0 | 0 | 0 | 111.1 | R1448 | P1446-R1448 PolarHBondContact O-N 3.39Å; P1446-R1448 VanDerWaalsContact O-N 3.1Å | ||
| 1447 | K | 35.1 | Very low | 48.1 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 91% | 0.913 | 69% | 0.688 | S | S | * | * | trans | -62.9 | 105.3 | 160.2 | -76.7 | -179.6 | 176.5 | 176.6 | 0 | 108.4 | Q1445 H1449 | Q1445-K1447 PolarHBondContact O-N 2.99Å; K1447-H1449 PolarHBondContact O-N 2.87Å | ||
| 1448 | R | 29.5 | Very low | 46.1 | Very low | 232 Ų | 232 | 135.7 Ų | 135.7 | 88% | 0.875 | 70% | 0.699 | S | S | * | * | trans | -67.5 | 127 | 168.1 | -86.1 | -177.9 | 172.8 | 164.9 | -1.4 | 110 | P1446 | P1446-R1448 PolarHBondContact O-N 3.39Å; P1446-R1448 VanDerWaalsContact O-N 3.1Å | ||
| 1449 | H | 32.1 | Very low | 44.1 | Very low | 167 Ų | 167 | 140 Ų | 140 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | 45.2 | 110.6 | 160.5 | -70.5 | -70.4 | 0 | 0 | 0 | 119.4 | K1447 | K1447-H1449 PolarHBondContact O-N 2.87Š| ||
| 1450 | Q | 32.1 | Very low | 41.5 | Very low | 200 Ų | 200 | 142 Ų | 142 | 94% | 0.935 | 75% | 0.751 | S | S | * | * | -164.1 | 143.6 | 111.8 | -106.1 | 175.1 | 9.7 | 0 | 0 | 111.8 | |||||
| 1451 | D | 34.4 | Very low | 39.2 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -73.9 | 157.8 | -164.3 | -80 | -58.8 | 0 | 0 | 0 | 116.2 | ||||
| 1452 | K | 31 | Very low | 37.1 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -52.9 | 141.8 | 163.7 | -71.5 | 167.7 | 169.9 | 174.5 | 0 | 112.3 | ||||
| 1453 | Q | 30.9 | Very low | 35.7 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | -174.4 | 121.2 | 121.2 | -101.1 | 167.6 | 32.5 | 0 | 0 | 113.7 | |||||
| 1454 | T | 32.6 | Very low | 34 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 46.2 | 146.2 | 144.4 | 44.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 1455 | P | 34.1 | Very low | 32.9 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -96.4 | 147.6 | -168.1 | 38 | -31.6 | 0 | 0 | 0 | 114.5 | ||||
| 1456 | G | 28.5 | Very low | 32.3 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 172.5 | 96.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1457 | S | 28.1 | Very low | 31.8 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 72.1 | 149 | 148.8 | -39.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1458 | P | 38.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -108.6 | -164.4 | -162.2 | 43.5 | -32.1 | 0 | 0 | 0 | 113.4 | ||||
| 1459 | P | 40.9 | Very low | 31.4 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -131.1 | -178.3 | -29.6 | 28.2 | -5.5 | 0 | 0 | 0 | 114.8 | ||||
| 1460 | S | 26.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | 123.1 | 137.1 | 140.5 | 77.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1461 | S | 29.7 | Very low | 31.1 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 96.5 | 145.2 | 151 | 76.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1462 | S | 27.4 | Very low | 30.9 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -115.8 | -158.1 | -150.9 | -44.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1463 | P | 38.9 | Very low | 31.3 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | -123.9 | -167.9 | -107.7 | 37 | -14.9 | 0 | 0 | 0 | 116.9 | |||||
| 1464 | S | 28.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 96.2 | 146 | 161.6 | 78.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1465 | S | 29.6 | Very low | 32 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | -173 | 145.4 | -3.6 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1466 | I | 30.4 | Very low | 32.4 | Very low | 148 Ų | 148 | 123 Ų | 123 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 159.9 | 136.4 | 97.4 | -84.6 | 178 | 0 | 0 | 0 | 111 | |||||
| 1467 | T | 28.6 | Very low | 33.4 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 14.3 | 152.9 | 157.7 | 56.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1468 | R | 29.3 | Very low | 34.6 | Very low | 244 Ų | 244 | 120.9 Ų | 120.9 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | cis | -169.4 | 146.9 | 7.8 | -123.2 | 177.2 | -178.7 | 173.3 | 0.6 | 107.3 | ||||
| 1469 | G | 27 | Very low | 35.7 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 128.5 | 116.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1470 | S | 29.3 | Very low | 37 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 94% | 0.937 | 70% | 0.702 | S | S | * | * | trans | 75.7 | 70.2 | 175.3 | -69.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1471 | S | 28.5 | Very low | 39.3 | Very low | 98 Ų | 98 | 113.3 Ų | 113.3 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | trans | -138.4 | 85.7 | 164.5 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1472 | H | 30.5 | Very low | 41.5 | Very low | 168 Ų | 168 | 112.6 Ų | 112.6 | 78% | 0.778 | 66% | 0.664 | S | S | * | * | trans | -137.5 | 8.7 | 173.8 | -102.3 | -72.5 | 0 | 0 | 0 | 115 | ||||
| 1473 | I | 38.6 | Very low | 44 | Very low | 159 Ų | 159 | 109.7 Ų | 109.7 | 82% | 0.815 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -117.5 | -12.1 | -174.4 | -65.8 | 165.6 | 0 | 0 | 0 | 114.3 | ||
| 1474 | S | 42.2 | Very low | 46.1 | Very low | 98 Ų | 98 | 104.1 Ų | 104.1 | 69% | 0.685 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -103.3 | -7.5 | 178.5 | 79.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1475 | L | 37.5 | Very low | 48.6 | Very low | 126 Ų | 126 | 101.7 Ų | 101.7 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -85 | -26.5 | 177.1 | -87.1 | 160 | 0 | 0 | 0 | 112.8 | S1477 T1478 T1479 | L1475-S1477 PolarHBondContact O-N 3Å; L1475-T1478 PolarHBondContact O-OG1 3.39Å; L1475-T1479 PolarHBondContact O-N 3.22Å; L1475-T1479 PolarHBondContact O-OG1 2.78Å |
| 1476 | L | 41.3 | Very low | 51.3 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 56% | 0.56 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.7 | -27.5 | -178.4 | -82.7 | 153.9 | 0 | 0 | 0 | 113.6 | T1479 I1480 | L1476-T1479 WeakPolarHBondContact CA-OG1 3.5Å; L1476-T1479 PolarHBondContact O-OG1 3.05Å; L1476-I1480 VanDerWaalsContact O-CD1 3.3Å; L1476-I1480 WeakPolarHBondContact O-CD1 3.45Å; L1476-I1480 WeakPolarHBondContact O-CG1 3.46Å; L1476-I1480 PolarHBondContact O-N 3.37Å |
| 1477 | S | 49.6 | Very low | 53.8 | Low | 73 Ų | 73 | 95.8 Ų | 95.8 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -79.4 | -30.3 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | L1475 N1481 | L1475-S1477 PolarHBondContact O-N 3Å; S1477-N1481 PolarHBondContact O-N 2.74Å |
| 1478 | T | 54.4 | Low | 56.5 | Low | 76 Ų | 76 | 91 Ų | 91 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.4 | -43.6 | 172.1 | 26.8 | 0 | 0 | 0 | 0 | 111.8 | L1475 I1480 N1481 D1482 | L1475-T1478 PolarHBondContact O-OG1 3.39Å; T1478-I1480 VanDerWaalsContact C-N 3.29Å; T1478-I1480 PolarHBondContact O-N 3.26Å; T1478-N1481 PolarHBondContact O-N 3.46Å; T1478-D1482 PolarHBondContact O-N 3.08Å; T1478-D1482 VanDerWaalsContact O-N 3.1Å |
| 1479 | T | 60.4 | Low | 59.1 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 179 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | L1475 L1476 D1483 | L1475-T1479 PolarHBondContact O-N 3.22Å; L1475-T1479 PolarHBondContact O-OG1 2.78Å; L1476-T1479 WeakPolarHBondContact CA-OG1 3.5Å; L1476-T1479 PolarHBondContact O-OG1 3.05Å; T1479-D1483 WeakPolarHBondContact O-CB 3.35Å; T1479-D1483 VanDerWaalsContact O-CG 3.26Å; T1479-D1483 PolarHBondContact O-N 2.92Å |
| 1480 | I | 68.9 | Low | 61.7 | Low | 72 Ų | 72 | 81.4 Ų | 81.4 | 37% | 0.369 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -72.2 | -36.7 | 178.2 | -67.6 | 166.7 | 0 | 0 | 0 | 111.7 | L1442 L1476 T1478 D1483 I1484 | L1442-I1480 HydrophobicContact CD1-CG2 4.35Å; L1476-I1480 VanDerWaalsContact O-CD1 3.3Å; L1476-I1480 WeakPolarHBondContact O-CD1 3.45Å; L1476-I1480 WeakPolarHBondContact O-CG1 3.46Å; L1476-I1480 PolarHBondContact O-N 3.37Å; T1478-I1480 VanDerWaalsContact C-N 3.29Å; T1478-I1480 PolarHBondContact O-N 3.26Å; I1480-D1483 PolarHBondContact O-N 3.44Å; I1480-I1484 HydrophobicContact CG2-CD1 3.81Å; I1480-I1484 HydrophobicContact CG2-CG1 4.4Å; I1480-I1484 WeakPolarHBondContact O-CB 3.36Å; I1480-I1484 WeakPolarHBondContact O-CD1 3.27Å; I1480-I1484 WeakPolarHBondContact O-CG1 3.4Å; I1480-I1484 PolarHBondContact O-N 2.88Å |
| 1481 | N | 74.4 | Confident | 64.4 | Low | 48 Ų | 48 | 75 Ų | 75 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 176.1 | -90.8 | -9.3 | 0 | 0 | 0 | 111.8 | S1477 T1478 I1484 D1485 | S1477-N1481 PolarHBondContact O-N 2.74Å; T1478-N1481 PolarHBondContact O-N 3.46Å; N1481-I1484 PolarHBondContact O-N 3.4Å; N1481-D1485 PolarHBondContact O-N 3.36Å |
| 1482 | D | 76.5 | Confident | 66.9 | Low | 105 Ų | 105 | 71.5 Ų | 71.5 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.1 | -42.9 | 175.3 | -64.3 | -22 | 0 | 0 | 0 | 110.7 | T1478 I1484 D1485 E1486 | T1478-D1482 PolarHBondContact O-N 3.08Å; T1478-D1482 VanDerWaalsContact O-N 3.1Å; D1482-I1484 VanDerWaalsContact C-N 3.31Å; D1482-I1484 PolarHBondContact O-N 3.27Å; D1482-D1485 PolarHBondContact O-N 3.46Å; D1482-E1486 PolarHBondContact O-N 2.92Å |
| 1483 | D | 80.7 | Confident | 69.2 | Low | 54 Ų | 54 | 66.8 Ų | 66.8 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 173.1 | -81.5 | 3.2 | 0 | 0 | 0 | 112.4 | T1479 I1480 A1487 R1509 F1510 | T1479-D1483 WeakPolarHBondContact O-CB 3.35Å; T1479-D1483 VanDerWaalsContact O-CG 3.26Å; T1479-D1483 PolarHBondContact O-N 2.92Å; I1480-D1483 PolarHBondContact O-N 3.44Å; D1483-A1487 VanDerWaalsContact O-CB 3.23Å; D1483-A1487 WeakPolarHBondContact O-CB 3.48Å; D1483-A1487 PolarHBondContact O-N 3.03Å; D1483-R1509 VanDerWaalsContact CG-NH2 3.34Å; D1483-R1509 IonicContact OD1-NH2 3.7Å; D1483-R1509 IonicContact OD2-CZ 3.86Å; D1483-R1509 IonicContact OD2-NH2 3.06Å; D1483-R1509 PolarHBondContact OD2-NH2 3.49Å; D1483-F1510 HydrophobicContact CB-CE1 4.38Å; D1483-F1510 HydrophobicContact CB-CZ 4.43Å |
| 1484 | I | 82.2 | Confident | 71 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 176.8 | -69.8 | 161.5 | 0 | 0 | 0 | 110.6 | L1438 K1439 L1442 I1480 N1481 D1482 A1487 L1488 F1510 | L1438-I1484 HydrophobicContact CD2-CD1 3.57Å; L1438-I1484 HydrophobicContact CD2-CG1 4.41Å; K1439-I1484 HydrophobicContact CB-CG2 4Å; K1439-I1484 HydrophobicContact CD-CG2 4.47Å; K1439-I1484 HydrophobicContact CG-CG2 4.33Å; L1442-I1484 HydrophobicContact CD1-CD1 3.54Å; I1480-I1484 HydrophobicContact CG2-CD1 3.81Å; I1480-I1484 HydrophobicContact CG2-CG1 4.4Å; I1480-I1484 WeakPolarHBondContact O-CB 3.36Å; I1480-I1484 WeakPolarHBondContact O-CD1 3.27Å; I1480-I1484 WeakPolarHBondContact O-CG1 3.4Å; I1480-I1484 PolarHBondContact O-N 2.88Å; N1481-I1484 PolarHBondContact O-N 3.4Å; D1482-I1484 VanDerWaalsContact C-N 3.31Å; D1482-I1484 PolarHBondContact O-N 3.27Å; I1484-A1487 PolarHBondContact O-N 3.33Å; I1484-L1488 HydrophobicContact CG2-CD1 3.97Å; I1484-L1488 HydrophobicContact CG2-CG 4.25Å; I1484-L1488 WeakPolarHBondContact O-CB 3.38Å; I1484-L1488 VanDerWaalsContact O-CG 3.29Å; I1484-L1488 WeakPolarHBondContact O-CG 3.3Å; I1484-L1488 PolarHBondContact O-N 3.31Å; I1484-F1510 HydrophobicContact CG1-CD1 3.95Å; I1484-F1510 HydrophobicContact CG1-CE1 3.61Å; I1484-F1510 HydrophobicContact CG1-CZ 4.36Å |
| 1485 | D | 81.9 | Confident | 72.7 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 35% | 0.353 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70 | -38.1 | 178.6 | -80.3 | -20.3 | 0 | 0 | 0 | 112.4 | K1439 N1481 D1482 L1488 G1489 | K1439-D1485 WeakPolarHBondContact CD-OD1 3.49Å; K1439-D1485 WeakPolarHBondContact CE-OD1 3.48Å; K1439-D1485 WeakPolarHBondContact CE-OD2 3.44Å; K1439-D1485 IonicContact NZ-OD1 3.58Å; K1439-D1485 PolarHBondContact NZ-OD1 3.21Å; K1439-D1485 IonicContact NZ-OD2 3.54Å; K1439-D1485 PolarHBondContact NZ-OD2 3.47Å; N1481-D1485 PolarHBondContact O-N 3.36Å; D1482-D1485 PolarHBondContact O-N 3.46Å; D1485-L1488 PolarHBondContact O-N 3Å; D1485-G1489 PolarHBondContact O-N 3.27Å |
| 1486 | E | 84.9 | Confident | 74.8 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.1 | -47 | 169.5 | -170.9 | -178.4 | 171.3 | 0 | 0 | 111.1 | D1482 L1488 G1489 Q1490 | D1482-E1486 PolarHBondContact O-N 2.92Å; E1486-L1488 PolarHBondContact O-N 2.94Å; E1486-G1489 PolarHBondContact O-N 2.98Å; E1486-Q1490 WeakPolarHBondContact O-CG 3.39Å; E1486-Q1490 PolarHBondContact O-N 3.47Å; E1486-Q1490 PolarHBondContact OE1-NE2 3.41Å |
| 1487 | A | 84.3 | Confident | 76.9 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1435 D1483 I1484 Q1490 L1491 Y1506 F1510 | L1435-A1487 HydrophobicContact CD1-CB 4.41Å; D1483-A1487 VanDerWaalsContact O-CB 3.23Å; D1483-A1487 WeakPolarHBondContact O-CB 3.48Å; D1483-A1487 PolarHBondContact O-N 3.03Å; I1484-A1487 PolarHBondContact O-N 3.33Å; A1487-Q1490 PolarHBondContact O-N 2.74Å; A1487-L1491 WeakPolarHBondContact O-CB 3.42Å; A1487-L1491 WeakPolarHBondContact O-CD1 3.31Å; A1487-L1491 VanDerWaalsContact O-CG 3.23Å; A1487-L1491 WeakPolarHBondContact O-CG 3.31Å; A1487-L1491 PolarHBondContact O-N 2.96Å; A1487-Y1506 HydrophobicContact CB-CD1 3.99Å; A1487-Y1506 HydrophobicContact CB-CE1 3.99Å; A1487-F1510 HydrophobicContact CB-CE2 3.71Å; A1487-F1510 HydrophobicContact CB-CZ 3.84Å |
| 1488 | L | 85.4 | Confident | 78.7 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.6 | -78.6 | 174.6 | 0 | 0 | 0 | 111.2 | T1432 L1435 K1436 K1439 I1484 D1485 E1486 L1491 T1492 | T1432-L1488 HydrophobicContact CG2-CD2 3.92Å; L1435-L1488 HydrophobicContact CB-CD2 3.64Å; L1435-L1488 HydrophobicContact CB-CG 4.25Å; L1435-L1488 HydrophobicContact CD1-CD2 4.48Å; K1436-L1488 HydrophobicContact CG-CD1 4.18Å; K1436-L1488 HydrophobicContact CG-CD2 3.72Å; K1439-L1488 HydrophobicContact CD-CD1 4.18Å; I1484-L1488 HydrophobicContact CG2-CD1 3.97Å; I1484-L1488 HydrophobicContact CG2-CG 4.25Å; I1484-L1488 WeakPolarHBondContact O-CB 3.38Å; I1484-L1488 VanDerWaalsContact O-CG 3.29Å; I1484-L1488 WeakPolarHBondContact O-CG 3.3Å; I1484-L1488 PolarHBondContact O-N 3.31Å; D1485-L1488 PolarHBondContact O-N 3Å; E1486-L1488 PolarHBondContact O-N 2.94Å; L1488-L1491 PolarHBondContact O-N 3.45Å; L1488-T1492 WeakPolarHBondContact O-CG2 3.41Å; L1488-T1492 PolarHBondContact O-N 3.26Å; L1488-T1492 PolarHBondContact O-OG1 3.18Å |
| 1489 | G | 81.9 | Confident | 80.2 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1485 E1486 T1492 H1493 | D1485-G1489 PolarHBondContact O-N 3.27Å; E1486-G1489 PolarHBondContact O-N 2.98Å; G1489-T1492 PolarHBondContact O-OG1 3.07Å; G1489-H1493 WeakPolarHBondContact O-CB 3.42Å; G1489-H1493 PolarHBondContact O-N 3.15Å |
| 1490 | Q | 83.2 | Confident | 81.4 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 176.7 | -71.6 | -178.5 | 7.1 | 0 | 0 | 112.5 | E1486 A1487 G1494 Y1506 | E1486-Q1490 WeakPolarHBondContact O-CG 3.39Å; E1486-Q1490 PolarHBondContact O-N 3.47Å; E1486-Q1490 PolarHBondContact OE1-NE2 3.41Å; A1487-Q1490 PolarHBondContact O-N 2.74Å; Q1490-G1494 WeakPolarHBondContact O-CA 3.47Å; Q1490-G1494 PolarHBondContact O-N 3.38Å; Q1490-Y1506 PolarHBondContact OE1-OH 3.2Å |
| 1491 | L | 84.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.5 | -32.9 | 179.6 | -73.1 | 167.9 | 0 | 0 | 0 | 113.3 | Q1428 L1431 L1435 A1487 L1488 L1497 Y1506 | Q1428-L1491 HydrophobicContact CG-CD2 3.94Å; Q1428-L1491 PolarHBondContact NE2-O 3.04Å; L1431-L1491 HydrophobicContact CD2-CD1 3.5Å; L1431-L1491 HydrophobicContact CD2-CD2 3.56Å; L1431-L1491 HydrophobicContact CD2-CG 4.19Å; L1431-L1491 HydrophobicContact CG-CD1 4.23Å; L1435-L1491 HydrophobicContact CD1-CD1 3.31Å; A1487-L1491 WeakPolarHBondContact O-CB 3.42Å; A1487-L1491 WeakPolarHBondContact O-CD1 3.31Å; A1487-L1491 VanDerWaalsContact O-CG 3.23Å; A1487-L1491 WeakPolarHBondContact O-CG 3.31Å; A1487-L1491 PolarHBondContact O-N 2.96Å; L1488-L1491 PolarHBondContact O-N 3.45Å; L1491-L1497 HydrophobicContact CD2-CD1 3.45Å; L1491-L1497 VanDerWaalsContact CD2-CD1 3.45Å; L1491-Y1506 HydrophobicContact CD1-CD1 3.75Å; L1491-Y1506 HydrophobicContact CD1-CE1 4.1Å; L1491-Y1506 HydrophobicContact CD1-CG 4.19Å; L1491-Y1506 HydrophobicContact CD2-CD1 4.3Å; L1491-Y1506 HydrophobicContact CD2-CD2 4.22Å; L1491-Y1506 HydrophobicContact CD2-CE1 4.22Å; L1491-Y1506 HydrophobicContact CD2-CE2 4.13Å; L1491-Y1506 HydrophobicContact CD2-CG 4.3Å; L1491-Y1506 HydrophobicContact CG-CD1 4.05Å; L1491-Y1506 HydrophobicContact CG-CE1 3.91Å |
| 1492 | T | 82.2 | Confident | 83 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -82.6 | -35.8 | 179 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | L1388 T1432 L1488 G1489 | L1388-T1492 PolarHBondContact N-O 3.41Å; L1388-T1492 VanDerWaalsContact N-O 3.09Å; T1432-T1492 HydrophobicContact CG2-CG2 3.62Å; L1488-T1492 WeakPolarHBondContact O-CG2 3.41Å; L1488-T1492 PolarHBondContact O-N 3.26Å; L1488-T1492 PolarHBondContact O-OG1 3.18Å; G1489-T1492 PolarHBondContact O-OG1 3.07Å |
| 1493 | H | 77.5 | Confident | 83.5 | Confident | 68 Ų | 68 | 43.7 Ų | 43.7 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -114.8 | -15.4 | -173.5 | -58.8 | -63.1 | 0 | 0 | 0 | 113.9 | H1384 L1386 R1391 G1489 | H1384-H1493 PolarHBondContact O-ND1 2.81Å; L1386-H1493 PolarHBondContact O-ND1 2.98Å; R1391-H1493 PolarHBondContact NH2-O 3.33Å; G1489-H1493 WeakPolarHBondContact O-CB 3.42Å; G1489-H1493 PolarHBondContact O-N 3.15Å |
| 1494 | G | 76.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -77.2 | -178.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1391 Q1490 | R1391-G1494 PolarHBondContact NH1-O 3.44Å; R1391-G1494 PolarHBondContact NH2-O 3Å; Q1490-G1494 WeakPolarHBondContact O-CA 3.47Å; Q1490-G1494 PolarHBondContact O-N 3.38Å |
| 1495 | P | 79.4 | Confident | 84 | Confident | 62 Ų | 62 | 47.8 Ų | 47.8 | 40% | 0.403 | 27% | 0.274 | S | S | . | . | trans | -69.2 | 169.3 | -175.4 | 30.2 | -35.7 | 0 | 0 | 0 | 112.9 | P1382 Q1428 L1497 | P1382-P1495 HydrophobicContact CB-CB 4.25Å; P1382-P1495 HydrophobicContact CG-CB 4.43Å; Q1428-P1495 PolarHBondContact NE2-O 3.46Å; P1495-L1497 PolarHBondContact O-N 3.28Å | ||
| 1496 | L | 82.1 | Confident | 84.3 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | trans | -67.7 | 114.8 | 169.7 | -164.5 | 78.3 | 0 | 0 | 0 | 109.3 | R1421 L1424 A1425 | R1421-L1496 HydrophobicContact CB-CD2 3.88Å; R1421-L1496 HydrophobicContact CG-CD2 4.01Å; L1424-L1496 HydrophobicContact CB-CD1 4.38Å; L1424-L1496 HydrophobicContact CB-CD2 3.99Å; L1424-L1496 HydrophobicContact CB-CG 4.19Å; L1424-L1496 HydrophobicContact CD1-CD2 4.2Å; A1425-L1496 HydrophobicContact CB-CD1 3.56Å | ||
| 1497 | L | 84.1 | Confident | 84.4 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | trans | -83.8 | 152.5 | -173.9 | -66.7 | 170.2 | 0 | 0 | 0 | 112.3 | L1491 P1495 E1501 M1502 Y1506 | L1491-L1497 HydrophobicContact CD2-CD1 3.45Å; L1491-L1497 VanDerWaalsContact CD2-CD1 3.45Å; P1495-L1497 PolarHBondContact O-N 3.28Å; L1497-E1501 HydrophobicContact CD2-CB 4.44Å; L1497-M1502 HydrophobicContact CB-CG 3.61Å; L1497-M1502 HydrophobicContact CB-SD 4.41Å; L1497-M1502 HydrophobicContact CD1-CG 4.04Å; L1497-Y1506 HydrophobicContact CD1-CD2 4.15Å; L1497-Y1506 HydrophobicContact CD1-CE2 3.5Å; L1497-Y1506 VanDerWaalsContact CD1-CE2 3.5Å | ||
| 1498 | S | 86.8 | Confident | 84.5 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | trans | -72.7 | 157.4 | 169.4 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | T1500 E1501 M1502 | S1498-T1500 PolarHBondContact O-N 2.9Å; S1498-E1501 WeakPolarHBondContact CB-OE2 3.45Å; S1498-E1501 PolarHBondContact N-OE2 3.31Å; S1498-E1501 PolarHBondContact O-N 3.33Å; S1498-E1501 VanDerWaalsContact OG-CD 3.22Å; S1498-E1501 VanDerWaalsContact OG-CG 3.26Å; S1498-E1501 WeakPolarHBondContact OG-CG 3.42Å; S1498-E1501 PolarHBondContact OG-N 2.99Å; S1498-E1501 PolarHBondContact OG-OE2 3.04Å; S1498-M1502 WeakPolarHBondContact O-CG 3.44Å; S1498-M1502 PolarHBondContact O-N 2.82Å | ||
| 1499 | V | 86.4 | Confident | 84.5 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -37.7 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | L1424 F1503 L1519 | L1424-V1499 HydrophobicContact CD2-CG2 3.45Å; L1424-V1499 VanDerWaalsContact CD2-CG2 3.45Å; V1499-F1503 WeakPolarHBondContact O-CB 3.25Å; V1499-F1503 PolarHBondContact O-N 3.49Å; V1499-L1519 HydrophobicContact CG1-CB 4.13Å; V1499-L1519 HydrophobicContact CG1-CD2 4.09Å; V1499-L1519 VanDerWaalsContact CG1-O 3.24Å; V1499-L1519 WeakPolarHBondContact CG1-O 3.4Å |
| 1500 | T | 86.6 | Confident | 84.6 | Confident | 110 Ų | 110 | 50.3 Ų | 50.3 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -67.3 | -43.6 | 179.9 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | S1498 F1503 A1504 | S1498-T1500 PolarHBondContact O-N 2.9Å; T1500-F1503 PolarHBondContact O-N 3.16Å; T1500-A1504 PolarHBondContact O-N 3.27Å |
| 1501 | E | 87.4 | Confident | 84.6 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 177.8 | -71.6 | 163.7 | 150.6 | 0 | 0 | 111.4 | L1497 S1498 F1503 N1505 | L1497-E1501 HydrophobicContact CD2-CB 4.44Å; S1498-E1501 WeakPolarHBondContact CB-OE2 3.45Å; S1498-E1501 PolarHBondContact N-OE2 3.31Å; S1498-E1501 PolarHBondContact O-N 3.33Å; S1498-E1501 VanDerWaalsContact OG-CD 3.22Å; S1498-E1501 VanDerWaalsContact OG-CG 3.26Å; S1498-E1501 WeakPolarHBondContact OG-CG 3.42Å; S1498-E1501 PolarHBondContact OG-N 2.99Å; S1498-E1501 PolarHBondContact OG-OE2 3.04Å; E1501-F1503 PolarHBondContact O-N 3.14Å; E1501-N1505 VanDerWaalsContact O-CB 3.31Å; E1501-N1505 WeakPolarHBondContact O-CB 3.29Å; E1501-N1505 PolarHBondContact O-N 3.27Å |
| 1502 | M | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -58.4 | -39.4 | 174.2 | -72.5 | -168.2 | -79.3 | 0 | 0 | 111.7 | L1424 L1427 Q1428 L1497 S1498 A1507 L1519 | L1424-M1502 HydrophobicContact CD2-CE 4.11Å; L1427-M1502 HydrophobicContact CB-CE 4.12Å; L1427-M1502 HydrophobicContact CB-SD 4.39Å; Q1428-M1502 HydrophobicContact CB-SD 3.77Å; Q1428-M1502 HydrophobicContact CG-SD 4.31Å; L1497-M1502 HydrophobicContact CB-CG 3.61Å; L1497-M1502 HydrophobicContact CB-SD 4.41Å; L1497-M1502 HydrophobicContact CD1-CG 4.04Å; S1498-M1502 WeakPolarHBondContact O-CG 3.44Å; S1498-M1502 PolarHBondContact O-N 2.82Å; M1502-A1507 PolarHBondContact O-N 2.9Å; M1502-L1519 HydrophobicContact CB-CD1 3.85Å; M1502-L1519 HydrophobicContact CB-CD2 3.8Å; M1502-L1519 HydrophobicContact CE-CD2 3.81Å; M1502-L1519 HydrophobicContact SD-CD2 4.1Å |
| 1503 | F | 88.7 | Confident | 85 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 18% | 0.18 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -69.4 | -56.5 | 179 | -172.5 | -88.5 | 0 | 0 | 0 | 111.9 | V1499 T1500 E1501 A1507 D1508 K1516 L1519 L1520 L1530 | V1499-F1503 WeakPolarHBondContact O-CB 3.25Å; V1499-F1503 PolarHBondContact O-N 3.49Å; T1500-F1503 PolarHBondContact O-N 3.16Å; E1501-F1503 PolarHBondContact O-N 3.14Å; F1503-A1507 PolarHBondContact O-N 3.38Å; F1503-D1508 HydrophobicContact CE1-CB 4.5Å; F1503-D1508 WeakPolarHBondContact O-CB 3.32Å; F1503-D1508 PolarHBondContact O-N 3.14Å; F1503-K1516 HydrophobicContact CD2-CB 4.47Å; F1503-K1516 HydrophobicContact CD2-CG 4.35Å; F1503-K1516 HydrophobicContact CE2-CB 3.88Å; F1503-K1516 HydrophobicContact CE2-CD 4.4Å; F1503-K1516 HydrophobicContact CE2-CG 3.85Å; F1503-K1516 HydrophobicContact CZ-CG 4.43Å; F1503-L1519 HydrophobicContact CB-CD1 4.29Å; F1503-L1519 HydrophobicContact CD2-CB 4.32Å; F1503-L1520 HydrophobicContact CD2-CD2 4.3Å; F1503-L1520 HydrophobicContact CD2-CG 4.24Å; F1503-L1520 HydrophobicContact CE2-CD1 3.98Å; F1503-L1520 HydrophobicContact CE2-CD2 3.85Å; F1503-L1520 HydrophobicContact CE2-CG 3.72Å; F1503-L1520 HydrophobicContact CZ-CD2 4.28Å; F1503-L1520 HydrophobicContact CZ-CG 4.49Å; F1503-L1530 HydrophobicContact CZ-CD2 4.28Å |
| 1504 | A | 86.7 | Confident | 85.4 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 45% | 0.446 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -73.4 | -46.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1500 | T1500-A1504 PolarHBondContact O-N 3.27Å |
| 1505 | N | 86.1 | Confident | 85.9 | Confident | 85 Ų | 85 | 45 Ų | 45 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -81.8 | -25.4 | -169.9 | -63.1 | -17.8 | 0 | 0 | 0 | 112.8 | E1501 R1509 | E1501-N1505 VanDerWaalsContact O-CB 3.31Å; E1501-N1505 WeakPolarHBondContact O-CB 3.29Å; E1501-N1505 PolarHBondContact O-N 3.27Å; N1505-R1509 WeakPolarHBondContact O-CB 3.1Å; N1505-R1509 WeakPolarHBondContact O-CD 3.49Å |
| 1506 | Y | 88.7 | Confident | 86.3 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -124.8 | -63.9 | -172.1 | -54.3 | -84.9 | 0 | 0 | 0 | 112.3 | L1431 A1487 Q1490 L1491 L1497 D1508 R1509 F1510 | L1431-Y1506 HydrophobicContact CD2-CD2 4.43Å; L1431-Y1506 HydrophobicContact CD2-CG 4.09Å; A1487-Y1506 HydrophobicContact CB-CD1 3.99Å; A1487-Y1506 HydrophobicContact CB-CE1 3.99Å; Q1490-Y1506 PolarHBondContact OE1-OH 3.2Å; L1491-Y1506 HydrophobicContact CD1-CD1 3.75Å; L1491-Y1506 HydrophobicContact CD1-CE1 4.1Å; L1491-Y1506 HydrophobicContact CD1-CG 4.19Å; L1491-Y1506 HydrophobicContact CD2-CD1 4.3Å; L1491-Y1506 HydrophobicContact CD2-CD2 4.22Å; L1491-Y1506 HydrophobicContact CD2-CE1 4.22Å; L1491-Y1506 HydrophobicContact CD2-CE2 4.13Å; L1491-Y1506 HydrophobicContact CD2-CG 4.3Å; L1491-Y1506 HydrophobicContact CG-CD1 4.05Å; L1491-Y1506 HydrophobicContact CG-CE1 3.91Å; L1497-Y1506 HydrophobicContact CD1-CD2 4.15Å; L1497-Y1506 HydrophobicContact CD1-CE2 3.5Å; L1497-Y1506 VanDerWaalsContact CD1-CE2 3.5Å; Y1506-D1508 VanDerWaalsContact C-N 3.35Å; Y1506-D1508 PolarHBondContact O-N 3.36Å; Y1506-R1509 PolarHBondContact O-N 3.03Å; Y1506-F1510 HydrophobicContact CD1-CE2 4.4Å; Y1506-F1510 VanDerWaalsContact O-CD2 3.29Å; Y1506-F1510 WeakPolarHBondContact O-CD2 3.38Å; Y1506-F1510 PolarHBondContact O-N 3.45Å |
| 1507 | A | 86.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -61.9 | -42.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1431 M1502 F1503 G1511 L1512 K1516 L1519 | L1431-A1507 HydrophobicContact CD1-CB 3.83Å; M1502-A1507 PolarHBondContact O-N 2.9Å; F1503-A1507 PolarHBondContact O-N 3.38Å; A1507-G1511 PolarHBondContact O-N 3.13Å; A1507-L1512 PolarHBondContact O-N 2.68Å; A1507-K1516 HydrophobicContact CB-CG 3.82Å; A1507-K1516 WeakPolarHBondContact O-CE 3.47Å; A1507-L1519 HydrophobicContact CB-CD1 3.82Å |
| 1508 | D | 86.1 | Confident | 86.7 | Confident | 89 Ų | 89 | 41.1 Ų | 41.1 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -71.2 | -50.7 | 176.5 | -156.9 | 40 | 0 | 0 | 0 | 112.7 | F1503 Y1506 F1510 G1511 K1516 | F1503-D1508 HydrophobicContact CE1-CB 4.5Å; F1503-D1508 WeakPolarHBondContact O-CB 3.32Å; F1503-D1508 PolarHBondContact O-N 3.14Å; Y1506-D1508 VanDerWaalsContact C-N 3.35Å; Y1506-D1508 PolarHBondContact O-N 3.36Å; D1508-F1510 VanDerWaalsContact C-N 3.31Å; D1508-F1510 PolarHBondContact O-N 3.32Å; D1508-G1511 PolarHBondContact O-N 3.47Å; D1508-K1516 VanDerWaalsContact CA-CE 3.48Å; D1508-K1516 IonicContact OD1-NZ 3.37Å; D1508-K1516 PolarHBondContact OD1-NZ 3.39Å |
| 1509 | R | 84.4 | Confident | 86.7 | Confident | 157 Ų | 157 | 39 Ų | 39 | 59% | 0.592 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -41.8 | 179.7 | -174.1 | 176.7 | 175.9 | 177.4 | -4.1 | 113.4 | D1483 N1505 Y1506 | D1483-R1509 VanDerWaalsContact CG-NH2 3.34Å; D1483-R1509 IonicContact OD1-NH2 3.7Å; D1483-R1509 IonicContact OD2-CZ 3.86Å; D1483-R1509 IonicContact OD2-NH2 3.06Å; D1483-R1509 PolarHBondContact OD2-NH2 3.49Å; N1505-R1509 WeakPolarHBondContact O-CB 3.1Å; N1505-R1509 WeakPolarHBondContact O-CD 3.49Å; Y1506-R1509 PolarHBondContact O-N 3.03Å |
| 1510 | F | 84.4 | Confident | 86.7 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 4.4 | -176.6 | -63.3 | -71.6 | 0 | 0 | 0 | 114.4 | L1435 D1483 I1484 A1487 Y1506 D1508 L1512 | L1435-F1510 HydrophobicContact CD2-CB 3.85Å; L1435-F1510 HydrophobicContact CD2-CD1 4.32Å; L1435-F1510 HydrophobicContact CD2-CD2 3.67Å; L1435-F1510 HydrophobicContact CD2-CE2 4.3Å; L1435-F1510 HydrophobicContact CD2-CG 3.69Å; D1483-F1510 HydrophobicContact CB-CE1 4.38Å; D1483-F1510 HydrophobicContact CB-CZ 4.43Å; I1484-F1510 HydrophobicContact CG1-CD1 3.95Å; I1484-F1510 HydrophobicContact CG1-CE1 3.61Å; I1484-F1510 HydrophobicContact CG1-CZ 4.36Å; A1487-F1510 HydrophobicContact CB-CE2 3.71Å; A1487-F1510 HydrophobicContact CB-CZ 3.84Å; Y1506-F1510 HydrophobicContact CD1-CE2 4.4Å; Y1506-F1510 VanDerWaalsContact O-CD2 3.29Å; Y1506-F1510 WeakPolarHBondContact O-CD2 3.38Å; Y1506-F1510 PolarHBondContact O-N 3.45Å; D1508-F1510 VanDerWaalsContact C-N 3.31Å; D1508-F1510 PolarHBondContact O-N 3.32Å; F1510-L1512 HydrophobicContact CB-CD1 4.42Å; F1510-L1512 HydrophobicContact CB-CG 4.11Å; F1510-L1512 PolarHBondContact O-N 3.48Å |
| 1511 | G | 83.2 | Confident | 86.6 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1507 D1508 H1513 | A1507-G1511 PolarHBondContact O-N 3.13Å; D1508-G1511 PolarHBondContact O-N 3.47Å; G1511-H1513 PolarHBondContact O-N 3.1Å |
| 1512 | L | 87.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | trans | -87.8 | 81.8 | -178.9 | -61.2 | -179.8 | 0 | 0 | 0 | 111.1 | L1431 E1434 L1435 L1438 A1507 F1510 E1514 S1515 K1516 | L1431-L1512 HydrophobicContact CD1-CD1 3.98Å; E1434-L1512 HydrophobicContact CB-CD1 4.22Å; E1434-L1512 HydrophobicContact CB-CD2 4.19Å; L1435-L1512 HydrophobicContact CD2-CD1 3.75Å; L1435-L1512 HydrophobicContact CG-CD1 3.69Å; L1438-L1512 HydrophobicContact CB-CD2 4.5Å; L1438-L1512 HydrophobicContact CD1-CD2 3.73Å; A1507-L1512 PolarHBondContact O-N 2.68Å; F1510-L1512 HydrophobicContact CB-CD1 4.42Å; F1510-L1512 HydrophobicContact CB-CG 4.11Å; F1510-L1512 PolarHBondContact O-N 3.48Å; L1512-E1514 VanDerWaalsContact C-N 3.32Å; L1512-E1514 PolarHBondContact O-N 3.3Å; L1512-S1515 PolarHBondContact O-N 3.45Å; L1512-K1516 VanDerWaalsContact O-CG 3.31Å; L1512-K1516 WeakPolarHBondContact O-CG 3.33Å; L1512-K1516 PolarHBondContact O-N 3.45Å | ||
| 1513 | H | 87 | Confident | 86 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -33.5 | -171.7 | -54.5 | -43.8 | 0 | 0 | 0 | 113.9 | G1511 K1516 L1517 I1534 L1538 | G1511-H1513 PolarHBondContact O-N 3.1Å; H1513-K1516 PolarHBondContact O-N 3.16Å; H1513-L1517 PolarHBondContact O-N 3.44Å; H1513-I1534 HydrophobicContact CB-CG2 3.8Å; H1513-I1534 WeakPolarHBondContact O-CG2 3.49Å; H1513-L1538 HydrophobicContact CB-CB 3.82Å; H1513-L1538 HydrophobicContact CB-CD1 4.02Å; H1513-L1538 HydrophobicContact CB-CG 4.4Å |
| 1514 | E | 86.4 | Confident | 85.5 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -51.8 | 178.6 | -65.6 | -167.7 | 172.5 | 0 | 0 | 110.8 | E1434 L1512 K1516 L1517 F1518 L1538 R1596 F1597 | E1434-E1514 VanDerWaalsContact OE1-CB 3.27Å; E1434-E1514 WeakPolarHBondContact OE1-CB 3.36Å; L1512-E1514 VanDerWaalsContact C-N 3.32Å; L1512-E1514 PolarHBondContact O-N 3.3Å; E1514-K1516 VanDerWaalsContact C-N 3.3Å; E1514-K1516 PolarHBondContact O-N 3.17Å; E1514-L1517 PolarHBondContact O-N 2.72Å; E1514-L1517 VanDerWaalsContact O-N 3.13Å; E1514-F1518 VanDerWaalsContact O-CD2 3.25Å; E1514-F1518 WeakPolarHBondContact O-CD2 3.41Å; E1514-F1518 PolarHBondContact O-N 3.03Å; E1514-L1538 HydrophobicContact CG-CD1 3.78Å; E1514-L1538 HydrophobicContact CG-CD2 4.21Å; E1514-R1596 IonicContact OE1-CZ 3.67Å; E1514-R1596 IonicContact OE1-NH1 3.57Å; E1514-R1596 IonicContact OE1-NH2 3.16Å; E1514-R1596 PolarHBondContact OE1-NH2 2.85Å; E1514-R1596 IonicContact OE2-CZ 3.18Å; E1514-R1596 IonicContact OE2-NH1 3.92Å; E1514-R1596 PolarHBondContact OE2-NH1 3.29Å; E1514-R1596 IonicContact OE2-NH2 3.15Å; E1514-R1596 PolarHBondContact OE2-NH2 3Å; E1514-F1597 HydrophobicContact CB-CE2 4.4Å; E1514-F1597 HydrophobicContact CB-CZ 3.68Å; E1514-F1597 HydrophobicContact CG-CE2 3.91Å; E1514-F1597 HydrophobicContact CG-CZ 3.69Å |
| 1515 | S | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.7 | -38.7 | 174.3 | -74.1 | 0 | 0 | 0 | 0 | 113.3 | E1434 L1512 L1517 F1518 L1519 | E1434-S1515 WeakPolarHBondContact OE1-CB 3.48Å; E1434-S1515 PolarHBondContact OE1-N 3.14Å; E1434-S1515 PolarHBondContact OE1-OG 3.3Å; E1434-S1515 PolarHBondContact OE2-N 2.6Å; E1434-S1515 PolarHBondContact OE2-OG 3.37Å; L1512-S1515 PolarHBondContact O-N 3.45Å; S1515-L1517 VanDerWaalsContact C-N 3.33Å; S1515-L1517 PolarHBondContact O-N 3.36Å; S1515-F1518 PolarHBondContact O-N 3.5Å; S1515-L1519 WeakPolarHBondContact O-CB 3.35Å; S1515-L1519 VanDerWaalsContact O-CG 3.23Å; S1515-L1519 WeakPolarHBondContact O-CG 3.4Å; S1515-L1519 PolarHBondContact O-N 3.31Å |
| 1516 | K | 88.6 | Confident | 84.8 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 175 | -74 | -179.5 | -158.8 | -159.9 | 0 | 112 | F1503 A1507 D1508 L1512 H1513 E1514 L1519 L1520 I1534 | F1503-K1516 HydrophobicContact CD2-CB 4.47Å; F1503-K1516 HydrophobicContact CD2-CG 4.35Å; F1503-K1516 HydrophobicContact CE2-CB 3.88Å; F1503-K1516 HydrophobicContact CE2-CD 4.4Å; F1503-K1516 HydrophobicContact CE2-CG 3.85Å; F1503-K1516 HydrophobicContact CZ-CG 4.43Å; A1507-K1516 HydrophobicContact CB-CG 3.82Å; A1507-K1516 WeakPolarHBondContact O-CE 3.47Å; D1508-K1516 VanDerWaalsContact CA-CE 3.48Å; D1508-K1516 IonicContact OD1-NZ 3.37Å; D1508-K1516 PolarHBondContact OD1-NZ 3.39Å; L1512-K1516 VanDerWaalsContact O-CG 3.31Å; L1512-K1516 WeakPolarHBondContact O-CG 3.33Å; L1512-K1516 PolarHBondContact O-N 3.45Å; H1513-K1516 PolarHBondContact O-N 3.16Å; E1514-K1516 VanDerWaalsContact C-N 3.3Å; E1514-K1516 PolarHBondContact O-N 3.17Å; K1516-L1519 PolarHBondContact O-N 2.9Å; K1516-L1520 WeakPolarHBondContact O-CB 3.09Å; K1516-L1520 VanDerWaalsContact O-CG 3.23Å; K1516-L1520 WeakPolarHBondContact O-CG 3.16Å; K1516-L1520 PolarHBondContact O-N 2.93Å; K1516-I1534 HydrophobicContact CB-CD1 4.01Å; K1516-I1534 HydrophobicContact CB-CG2 4.24Å; K1516-I1534 HydrophobicContact CD-CD1 4.14Å; K1516-I1534 HydrophobicContact CD-CG1 4.22Å; K1516-I1534 HydrophobicContact CD-CG2 4.5Å |
| 1517 | L | 87.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | -178.9 | -71 | 171.2 | 0 | 0 | 0 | 111.8 | H1513 E1514 S1515 W1521 I1531 I1534 W1535 L1538 F1597 F1601 | H1513-L1517 PolarHBondContact O-N 3.44Å; E1514-L1517 PolarHBondContact O-N 2.72Å; E1514-L1517 VanDerWaalsContact O-N 3.13Å; S1515-L1517 VanDerWaalsContact C-N 3.33Å; S1515-L1517 PolarHBondContact O-N 3.36Å; L1517-W1521 WeakPolarHBondContact O-CB 3.35Å; L1517-W1521 PolarHBondContact O-N 2.97Å; L1517-I1531 HydrophobicContact CD2-CG2 3.94Å; L1517-I1534 HydrophobicContact CD1-CG2 4.33Å; L1517-I1534 HydrophobicContact CD2-CB 4.28Å; L1517-I1534 HydrophobicContact CD2-CG2 4.05Å; L1517-I1534 HydrophobicContact CG-CG2 3.83Å; L1517-W1535 HydrophobicContact CD1-CD2 3.96Å; L1517-W1535 HydrophobicContact CD1-CG 4.27Å; L1517-W1535 HydrophobicContact CD1-CH2 4.49Å; L1517-W1535 HydrophobicContact CD1-CZ2 3.86Å; L1517-L1538 HydrophobicContact CD1-CD2 4.31Å; L1517-F1597 HydrophobicContact CB-CE1 4.03Å; L1517-F1597 HydrophobicContact CD1-CE1 4.05Å; L1517-F1597 HydrophobicContact CD1-CZ 4.19Å; L1517-F1601 HydrophobicContact CB-CE2 4.45Å; L1517-F1601 HydrophobicContact CB-CZ 4.25Å |
| 1518 | F | 85.6 | Confident | 84.5 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 10% | 0.101 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.7 | -38.5 | 176.9 | -74.8 | -61.3 | 0 | 0 | 0 | 113.2 | L1427 M1430 E1514 S1515 W1521 A1522 F1597 R1600 F1601 | L1427-F1518 HydrophobicContact CD2-CB 4.21Å; M1430-F1518 HydrophobicContact CE-CB 3.6Å; M1430-F1518 HydrophobicContact CE-CD2 4.04Å; M1430-F1518 HydrophobicContact CE-CG 4.14Å; M1430-F1518 HydrophobicContact SD-CB 3.8Å; M1430-F1518 HydrophobicContact SD-CD2 3.28Å; M1430-F1518 WeakPolarHBondContact SD-CD2 3.43Å; M1430-F1518 HydrophobicContact SD-CE2 3.95Å; M1430-F1518 HydrophobicContact SD-CG 3.65Å; E1514-F1518 VanDerWaalsContact O-CD2 3.25Å; E1514-F1518 WeakPolarHBondContact O-CD2 3.41Å; E1514-F1518 PolarHBondContact O-N 3.03Å; S1515-F1518 PolarHBondContact O-N 3.5Å; F1518-W1521 WeakPolarHBondContact O-CB 3.38Å; F1518-W1521 PolarHBondContact O-N 3.14Å; F1518-A1522 PolarHBondContact O-N 3.26Å; F1518-F1597 AromaticContact CD2-CE1 3.81Å; F1518-F1597 HydrophobicContact CD2-CE1 3.81Å; F1518-F1597 HydrophobicContact CD2-CZ 4.4Å; F1518-F1597 HydrophobicContact CE1-CD1 4.1Å; F1518-F1597 HydrophobicContact CE1-CE1 4.14Å; F1518-F1597 AromaticContact CE2-CD1 3.96Å; F1518-F1597 HydrophobicContact CE2-CD1 3.96Å; F1518-F1597 AromaticContact CE2-CE1 3.29Å; F1518-F1597 HydrophobicContact CE2-CE1 3.29Å; F1518-F1597 AromaticContact CE2-CZ 3.78Å; F1518-F1597 HydrophobicContact CE2-CZ 3.78Å; F1518-F1597 HydrophobicContact CG-CE1 4.44Å; F1518-F1597 AromaticContact CZ-CD1 3.63Å; F1518-F1597 HydrophobicContact CZ-CD1 3.63Å; F1518-F1597 AromaticContact CZ-CE1 3.48Å; F1518-F1597 HydrophobicContact CZ-CE1 3.48Å; F1518-F1597 VanDerWaalsContact CZ-CE1 3.48Å; F1518-F1597 HydrophobicContact CZ-CZ 4.25Å; F1518-R1600 HydrophobicContact CE1-CB 3.79Å; F1518-R1600 HydrophobicContact CE1-CG 3.88Å; F1518-F1601 HydrophobicContact CD1-CE1 4Å; F1518-F1601 HydrophobicContact CD1-CZ 4.03Å; F1518-F1601 HydrophobicContact CE1-CE1 4.17Å; F1518-F1601 HydrophobicContact CE1-CZ 4.15Å |
| 1519 | L | 87.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 175.4 | -70.5 | 170 | 0 | 0 | 0 | 112 | L1427 V1499 M1502 F1503 A1507 S1515 K1516 W1521 A1522 S1523 | L1427-L1519 HydrophobicContact CB-CD2 4.16Å; L1427-L1519 HydrophobicContact CD1-CD2 4.37Å; V1499-L1519 HydrophobicContact CG1-CB 4.13Å; V1499-L1519 HydrophobicContact CG1-CD2 4.09Å; V1499-L1519 VanDerWaalsContact CG1-O 3.24Å; V1499-L1519 WeakPolarHBondContact CG1-O 3.4Å; M1502-L1519 HydrophobicContact CB-CD1 3.85Å; M1502-L1519 HydrophobicContact CB-CD2 3.8Å; M1502-L1519 HydrophobicContact CE-CD2 3.81Å; M1502-L1519 HydrophobicContact SD-CD2 4.1Å; F1503-L1519 HydrophobicContact CB-CD1 4.29Å; F1503-L1519 HydrophobicContact CD2-CB 4.32Å; A1507-L1519 HydrophobicContact CB-CD1 3.82Å; S1515-L1519 WeakPolarHBondContact O-CB 3.35Å; S1515-L1519 VanDerWaalsContact O-CG 3.23Å; S1515-L1519 WeakPolarHBondContact O-CG 3.4Å; S1515-L1519 PolarHBondContact O-N 3.31Å; K1516-L1519 PolarHBondContact O-N 2.9Å; L1519-W1521 VanDerWaalsContact C-N 3.26Å; L1519-W1521 PolarHBondContact O-N 3.5Å; L1519-A1522 PolarHBondContact O-N 3.3Å; L1519-S1523 PolarHBondContact O-N 2.91Å; L1519-S1523 PolarHBondContact O-OG 3.01Å |
| 1520 | L | 86.3 | Confident | 84.6 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 172.6 | -71.2 | 171.5 | 0 | 0 | 0 | 110.3 | F1503 K1516 S1523 G1524 S1525 L1530 I1531 I1534 Y1615 | F1503-L1520 HydrophobicContact CD2-CD2 4.3Å; F1503-L1520 HydrophobicContact CD2-CG 4.24Å; F1503-L1520 HydrophobicContact CE2-CD1 3.98Å; F1503-L1520 HydrophobicContact CE2-CD2 3.85Å; F1503-L1520 HydrophobicContact CE2-CG 3.72Å; F1503-L1520 HydrophobicContact CZ-CD2 4.28Å; F1503-L1520 HydrophobicContact CZ-CG 4.49Å; K1516-L1520 WeakPolarHBondContact O-CB 3.09Å; K1516-L1520 VanDerWaalsContact O-CG 3.23Å; K1516-L1520 WeakPolarHBondContact O-CG 3.16Å; K1516-L1520 PolarHBondContact O-N 2.93Å; L1520-S1523 WeakPolarHBondContact CA-OG 3.47Å; L1520-S1523 PolarHBondContact O-N 3.43Å; L1520-S1523 PolarHBondContact O-OG 2.97Å; L1520-G1524 PolarHBondContact O-N 2.76Å; L1520-S1525 WeakPolarHBondContact CB-OG 3.29Å; L1520-S1525 WeakPolarHBondContact CD2-OG 3.38Å; L1520-S1525 PolarHBondContact O-N 3.18Å; L1520-S1525 PolarHBondContact O-OG 2.89Å; L1520-L1530 HydrophobicContact CD1-CD2 4.15Å; L1520-L1530 HydrophobicContact CD1-CG 4.45Å; L1520-L1530 HydrophobicContact CD2-CD2 4.3Å; L1520-I1531 HydrophobicContact CD1-CG1 4.09Å; L1520-I1534 HydrophobicContact CD1-CD1 3.63Å; L1520-Y1615 VanDerWaalsContact C-CE1 3.42Å; L1520-Y1615 HydrophobicContact CB-CE1 3.81Å; L1520-Y1615 PolarHBondContact O-OH 3.23Å |
| 1521 | W | 84.9 | Confident | 84.8 | Confident | 67 Ų | 67 | 37.9 Ų | 37.9 | 25% | 0.254 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 175.4 | 173 | -117.4 | 0 | 0 | 0 | 111.6 | L1517 F1518 L1519 S1523 G1524 F1601 R1611 Y1615 | L1517-W1521 WeakPolarHBondContact O-CB 3.35Å; L1517-W1521 PolarHBondContact O-N 2.97Å; F1518-W1521 WeakPolarHBondContact O-CB 3.38Å; F1518-W1521 PolarHBondContact O-N 3.14Å; L1519-W1521 VanDerWaalsContact C-N 3.26Å; L1519-W1521 PolarHBondContact O-N 3.5Å; W1521-S1523 PolarHBondContact O-N 2.84Å; W1521-G1524 PolarHBondContact O-N 3.32Å; W1521-F1601 HydrophobicContact CB-CD1 4.34Å; W1521-F1601 HydrophobicContact CB-CE1 3.55Å; W1521-F1601 HydrophobicContact CB-CZ 4.22Å; W1521-F1601 AromaticContact CD1-CE1 3.84Å; W1521-F1601 HydrophobicContact CD2-CD1 4.16Å; W1521-F1601 HydrophobicContact CD2-CE1 4.24Å; W1521-F1601 AromaticContact CG-CD1 3.95Å; W1521-F1601 HydrophobicContact CG-CD1 3.95Å; W1521-F1601 AromaticContact CG-CE1 3.57Å; W1521-F1601 HydrophobicContact CG-CE1 3.57Å; W1521-R1611 HydrophobicContact CE3-CG 4.25Å; W1521-R1611 HydrophobicContact CH2-CG 4.21Å; W1521-R1611 HydrophobicContact CZ3-CB 4Å; W1521-R1611 HydrophobicContact CZ3-CG 3.43Å; W1521-R1611 VanDerWaalsContact CZ3-CG 3.43Å; W1521-R1611 PolarHBondContact O-NH2 2.9Å; W1521-Y1615 VanDerWaalsContact CA-CE1 3.47Å; W1521-Y1615 HydrophobicContact CB-CD1 4.18Å; W1521-Y1615 HydrophobicContact CB-CE1 4.03Å; W1521-Y1615 HydrophobicContact CE3-CD1 4.36Å; W1521-Y1615 AromaticContact CE3-CD2 3.78Å; W1521-Y1615 HydrophobicContact CE3-CD2 3.78Å; W1521-Y1615 HydrophobicContact CE3-CE1 4.39Å; W1521-Y1615 AromaticContact CE3-CE2 3.8Å; W1521-Y1615 HydrophobicContact CE3-CE2 3.8Å; W1521-Y1615 HydrophobicContact CE3-CG 4.02Å; W1521-Y1615 HydrophobicContact CZ3-CD2 4.11Å; W1521-Y1615 HydrophobicContact CZ3-CE2 4.23Å; W1521-Y1615 VanDerWaalsContact N-CE1 3.31Å |
| 1522 | A | 81.5 | Confident | 84.9 | Confident | 46 Ų | 46 | 40.2 Ų | 40.2 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1427 F1518 L1519 G1524 | L1427-A1522 HydrophobicContact CD1-CB 3.43Å; L1427-A1522 VanDerWaalsContact CD1-CB 3.43Å; F1518-A1522 PolarHBondContact O-N 3.26Å; L1519-A1522 PolarHBondContact O-N 3.3Å; A1522-G1524 VanDerWaalsContact C-N 3.34Å; A1522-G1524 PolarHBondContact O-N 3.06Å |
| 1523 | S | 81.1 | Confident | 84.9 | Confident | 67 Ų | 67 | 42 Ų | 42 | 47% | 0.469 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.8 | -20.2 | 176.7 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | L1519 L1520 W1521 | L1519-S1523 PolarHBondContact O-N 2.91Å; L1519-S1523 PolarHBondContact O-OG 3.01Å; L1520-S1523 WeakPolarHBondContact CA-OG 3.47Å; L1520-S1523 PolarHBondContact O-N 3.43Å; L1520-S1523 PolarHBondContact O-OG 2.97Å; W1521-S1523 PolarHBondContact O-N 2.84Å |
| 1524 | G | 79.5 | Confident | 85 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 24.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1520 W1521 A1522 | L1520-G1524 PolarHBondContact O-N 2.76Å; W1521-G1524 PolarHBondContact O-N 3.32Å; A1522-G1524 VanDerWaalsContact C-N 3.34Å; A1522-G1524 PolarHBondContact O-N 3.06Å |
| 1525 | S | 78.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | trans | -64.6 | 134 | 177.3 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | L1520 Y1615 | L1520-S1525 WeakPolarHBondContact CB-OG 3.29Å; L1520-S1525 WeakPolarHBondContact CD2-OG 3.38Å; L1520-S1525 PolarHBondContact O-N 3.18Å; L1520-S1525 PolarHBondContact O-OG 2.89Å; S1525-Y1615 PolarHBondContact N-OH 3.45Å; S1525-Y1615 VanDerWaalsContact N-OH 3.09Å; S1525-Y1615 PolarHBondContact O-OH 3.18Å | ||
| 1526 | Q | 78.8 | Confident | 85 | Confident | 160 Ų | 160 | 44.7 Ų | 44.7 | 75% | 0.748 | 25% | 0.254 | S | S | * | . | trans | -100.2 | 15.1 | -175 | -61.5 | -175.6 | -4 | 0 | 0 | 114 | S1528 | Q1526-S1528 PolarHBondContact O-N 3.12Š| ||
| 1527 | D | 84.7 | Confident | 84.9 | Confident | 84 Ų | 84 | 46.8 Ų | 46.8 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | trans | -76.8 | 89.3 | -177.1 | -169.7 | -14.1 | 0 | 0 | 0 | 112 | A1529 L1530 I1531 | D1527-A1529 VanDerWaalsContact C-N 3.26Å; D1527-A1529 PolarHBondContact O-N 3.33Å; D1527-A1529 PolarHBondContact OD1-N 3.14Å; D1527-L1530 HydrophobicContact CB-CB 4.07Å; D1527-L1530 PolarHBondContact O-N 2.86Å; D1527-L1530 PolarHBondContact OD1-N 2.7Å; D1527-L1530 VanDerWaalsContact OD1-N 3.11Å; D1527-I1531 WeakPolarHBondContact O-CD1 3.28Å; D1527-I1531 VanDerWaalsContact O-CG1 3.3Å; D1527-I1531 WeakPolarHBondContact O-CG1 3.23Å; D1527-I1531 PolarHBondContact O-N 2.94Å; D1527-I1531 VanDerWaalsContact O-N 3.12Å | ||
| 1528 | S | 83.2 | Confident | 84.9 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -30.3 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 113.1 | Q1526 K1532 | Q1526-S1528 PolarHBondContact O-N 3.12Å; S1528-K1532 WeakPolarHBondContact O-CB 3.41Å; S1528-K1532 WeakPolarHBondContact O-CG 3.3Å; S1528-K1532 PolarHBondContact O-N 3.42Å; S1528-K1532 WeakPolarHBondContact OG-CE 3.44Å |
| 1529 | A | 85.2 | Confident | 85 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -71.3 | -45.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1527 K1532 A1533 | D1527-A1529 VanDerWaalsContact C-N 3.26Å; D1527-A1529 PolarHBondContact O-N 3.33Å; D1527-A1529 PolarHBondContact OD1-N 3.14Å; A1529-K1532 PolarHBondContact O-N 3.37Å; A1529-A1533 WeakPolarHBondContact O-CB 3.33Å; A1529-A1533 PolarHBondContact O-N 2.93Å |
| 1530 | L | 88 | Confident | 84.8 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 34% | 0.335 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.2 | -179.5 | 63.3 | 0 | 0 | 0 | 111.4 | F1503 L1520 D1527 K1532 A1533 I1534 | F1503-L1530 HydrophobicContact CZ-CD2 4.28Å; L1520-L1530 HydrophobicContact CD1-CD2 4.15Å; L1520-L1530 HydrophobicContact CD1-CG 4.45Å; L1520-L1530 HydrophobicContact CD2-CD2 4.3Å; D1527-L1530 HydrophobicContact CB-CB 4.07Å; D1527-L1530 PolarHBondContact O-N 2.86Å; D1527-L1530 PolarHBondContact OD1-N 2.7Å; D1527-L1530 VanDerWaalsContact OD1-N 3.11Å; L1530-K1532 PolarHBondContact O-N 3.49Å; L1530-A1533 WeakPolarHBondContact O-CB 3.45Å; L1530-A1533 PolarHBondContact O-N 2.74Å; L1530-I1534 HydrophobicContact CD1-CD1 4.14Å; L1530-I1534 HydrophobicContact CD1-CG1 4.43Å; L1530-I1534 HydrophobicContact CG-CD1 3.89Å; L1530-I1534 VanDerWaalsContact O-CG1 3.3Å; L1530-I1534 WeakPolarHBondContact O-CG1 3.32Å; L1530-I1534 PolarHBondContact O-N 2.82Å |
| 1531 | I | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.7 | -69.3 | 165.6 | 0 | 0 | 0 | 111.4 | L1517 L1520 D1527 A1533 I1534 W1535 I1614 Y1615 | L1517-I1531 HydrophobicContact CD2-CG2 3.94Å; L1520-I1531 HydrophobicContact CD1-CG1 4.09Å; D1527-I1531 WeakPolarHBondContact O-CD1 3.28Å; D1527-I1531 VanDerWaalsContact O-CG1 3.3Å; D1527-I1531 WeakPolarHBondContact O-CG1 3.23Å; D1527-I1531 PolarHBondContact O-N 2.94Å; D1527-I1531 VanDerWaalsContact O-N 3.12Å; I1531-A1533 VanDerWaalsContact C-N 3.31Å; I1531-A1533 PolarHBondContact O-N 3.3Å; I1531-I1534 PolarHBondContact O-N 3.4Å; I1531-W1535 PolarHBondContact O-N 2.94Å; I1531-I1614 HydrophobicContact CD1-CG2 3.58Å; I1531-I1614 VanDerWaalsContact CG2-O 3.3Å; I1531-I1614 WeakPolarHBondContact CG2-O 3.29Å; I1531-Y1615 HydrophobicContact CD1-CD1 3.73Å; I1531-Y1615 HydrophobicContact CD1-CD2 4.35Å; I1531-Y1615 HydrophobicContact CD1-CE1 3.67Å; I1531-Y1615 HydrophobicContact CD1-CE2 4.32Å; I1531-Y1615 HydrophobicContact CD1-CG 4.12Å; I1531-Y1615 HydrophobicContact CG1-CD1 4.43Å; I1531-Y1615 HydrophobicContact CG1-CE1 4.47Å |
| 1532 | K | 86.1 | Confident | 84.5 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 176 | -73.5 | 173.3 | -177.7 | -126.3 | 0 | 112 | S1528 A1529 L1530 R1536 P1617 D1620 | S1528-K1532 WeakPolarHBondContact O-CB 3.41Å; S1528-K1532 WeakPolarHBondContact O-CG 3.3Å; S1528-K1532 PolarHBondContact O-N 3.42Å; S1528-K1532 WeakPolarHBondContact OG-CE 3.44Å; A1529-K1532 PolarHBondContact O-N 3.37Å; L1530-K1532 PolarHBondContact O-N 3.49Å; K1532-R1536 VanDerWaalsContact O-CG 3.3Å; K1532-R1536 WeakPolarHBondContact O-CG 3.25Å; K1532-R1536 PolarHBondContact O-N 3.14Å; K1532-R1536 VanDerWaalsContact O-N 3.09Å; K1532-P1617 HydrophobicContact CG-CB 4.2Å; K1532-P1617 HydrophobicContact CG-CG 4.22Å; K1532-D1620 WeakPolarHBondContact CD-OD2 3.32Å; K1532-D1620 VanDerWaalsContact CE-OD2 3.32Å; K1532-D1620 WeakPolarHBondContact CE-OD2 3.37Å; K1532-D1620 IonicContact NZ-OD2 2.83Å; K1532-D1620 PolarHBondContact NZ-OD2 3.48Å |
| 1533 | A | 87.2 | Confident | 84.6 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1529 L1530 I1531 W1535 R1536 D1537 | A1529-A1533 WeakPolarHBondContact O-CB 3.33Å; A1529-A1533 PolarHBondContact O-N 2.93Å; L1530-A1533 WeakPolarHBondContact O-CB 3.45Å; L1530-A1533 PolarHBondContact O-N 2.74Å; I1531-A1533 VanDerWaalsContact C-N 3.31Å; I1531-A1533 PolarHBondContact O-N 3.3Å; A1533-W1535 PolarHBondContact O-N 3.47Å; A1533-R1536 PolarHBondContact O-N 3.02Å; A1533-D1537 PolarHBondContact O-N 3.18Å |
| 1534 | I | 88.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 178.5 | -64.1 | 161.3 | 0 | 0 | 0 | 111.2 | H1513 K1516 L1517 L1520 L1530 I1531 R1536 D1537 L1538 | H1513-I1534 HydrophobicContact CB-CG2 3.8Å; H1513-I1534 WeakPolarHBondContact O-CG2 3.49Å; K1516-I1534 HydrophobicContact CB-CD1 4.01Å; K1516-I1534 HydrophobicContact CB-CG2 4.24Å; K1516-I1534 HydrophobicContact CD-CD1 4.14Å; K1516-I1534 HydrophobicContact CD-CG1 4.22Å; K1516-I1534 HydrophobicContact CD-CG2 4.5Å; L1517-I1534 HydrophobicContact CD1-CG2 4.33Å; L1517-I1534 HydrophobicContact CD2-CB 4.28Å; L1517-I1534 HydrophobicContact CD2-CG2 4.05Å; L1517-I1534 HydrophobicContact CG-CG2 3.83Å; L1520-I1534 HydrophobicContact CD1-CD1 3.63Å; L1530-I1534 HydrophobicContact CD1-CD1 4.14Å; L1530-I1534 HydrophobicContact CD1-CG1 4.43Å; L1530-I1534 HydrophobicContact CG-CD1 3.89Å; L1530-I1534 VanDerWaalsContact O-CG1 3.3Å; L1530-I1534 WeakPolarHBondContact O-CG1 3.32Å; L1530-I1534 PolarHBondContact O-N 2.82Å; I1531-I1534 PolarHBondContact O-N 3.4Å; I1534-R1536 PolarHBondContact O-N 3.17Å; I1534-D1537 PolarHBondContact O-N 3.48Å; I1534-L1538 WeakPolarHBondContact O-CB 3.5Å; I1534-L1538 PolarHBondContact O-N 3.44Å |
| 1535 | W | 88.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.2 | -91.2 | 109.1 | 0 | 0 | 0 | 112.7 | L1517 I1531 A1533 D1537 L1538 L1539 L1594 F1597 Y1615 F1616 P1617 I1621 | L1517-W1535 HydrophobicContact CD1-CD2 3.96Å; L1517-W1535 HydrophobicContact CD1-CG 4.27Å; L1517-W1535 HydrophobicContact CD1-CH2 4.49Å; L1517-W1535 HydrophobicContact CD1-CZ2 3.86Å; I1531-W1535 PolarHBondContact O-N 2.94Å; A1533-W1535 PolarHBondContact O-N 3.47Å; W1535-D1537 VanDerWaalsContact C-N 3.32Å; W1535-D1537 PolarHBondContact O-N 3.38Å; W1535-L1538 HydrophobicContact CE3-CD2 4.1Å; W1535-L1538 HydrophobicContact CZ3-CD2 3.98Å; W1535-L1538 PolarHBondContact O-N 3.37Å; W1535-L1539 HydrophobicContact CE3-CG 4.43Å; W1535-L1539 WeakPolarHBondContact O-CB 3.2Å; W1535-L1539 VanDerWaalsContact O-CG 3.32Å; W1535-L1539 WeakPolarHBondContact O-CG 3.29Å; W1535-L1539 PolarHBondContact O-N 3.26Å; W1535-L1594 HydrophobicContact CZ3-CD2 4.42Å; W1535-F1597 HydrophobicContact CH2-CB 3.9Å; W1535-F1597 HydrophobicContact CH2-CD1 4.47Å; W1535-F1597 AromaticContact CH2-CD2 3.53Å; W1535-F1597 HydrophobicContact CH2-CD2 3.53Å; W1535-F1597 HydrophobicContact CH2-CE2 4.23Å; W1535-F1597 AromaticContact CH2-CG 3.7Å; W1535-F1597 HydrophobicContact CH2-CG 3.7Å; W1535-F1597 HydrophobicContact CZ2-CB 4.12Å; W1535-F1597 HydrophobicContact CZ2-CD1 4.35Å; W1535-F1597 HydrophobicContact CZ2-CD2 4.19Å; W1535-F1597 AromaticContact CZ2-CG 3.95Å; W1535-F1597 HydrophobicContact CZ2-CG 3.95Å; W1535-F1597 HydrophobicContact CZ3-CD2 4.31Å; W1535-Y1615 PolarHBondContact NE1-O 2.84Å; W1535-F1616 HydrophobicContact CH2-CD2 4.12Å; W1535-F1616 AromaticContact CH2-CE2 3.8Å; W1535-F1616 HydrophobicContact CH2-CE2 3.8Å; W1535-F1616 AromaticContact CZ2-CD2 3.66Å; W1535-F1616 HydrophobicContact CZ2-CD2 3.66Å; W1535-F1616 AromaticContact CZ2-CE2 3.84Å; W1535-F1616 HydrophobicContact CZ2-CE2 3.84Å; W1535-P1617 HydrophobicContact CG-CG 4.19Å; W1535-I1621 HydrophobicContact CD2-CD1 3.97Å; W1535-I1621 HydrophobicContact CD2-CG1 4.27Å; W1535-I1621 HydrophobicContact CE3-CD1 3.9Å; W1535-I1621 HydrophobicContact CE3-CG1 4.09Å; W1535-I1621 HydrophobicContact CH2-CD1 4.18Å; W1535-I1621 HydrophobicContact CZ2-CD1 4.25Å; W1535-I1621 HydrophobicContact CZ3-CD1 4Å |
| 1536 | R | 86.3 | Confident | 82.5 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.6 | -70.1 | 171.6 | -175.9 | 176.8 | 2.3 | 111.8 | K1532 A1533 I1534 R1540 D1620 T1624 | K1532-R1536 VanDerWaalsContact O-CG 3.3Å; K1532-R1536 WeakPolarHBondContact O-CG 3.25Å; K1532-R1536 PolarHBondContact O-N 3.14Å; K1532-R1536 VanDerWaalsContact O-N 3.09Å; A1533-R1536 PolarHBondContact O-N 3.02Å; I1534-R1536 PolarHBondContact O-N 3.17Å; R1536-R1540 VanDerWaalsContact O-CB 3.31Å; R1536-R1540 WeakPolarHBondContact O-CB 3.32Å; R1536-R1540 VanDerWaalsContact O-CG 3.31Å; R1536-R1540 WeakPolarHBondContact O-CG 3.46Å; R1536-R1540 PolarHBondContact O-N 3.36Å; R1536-D1620 IonicContact CZ-OD1 3.93Å; R1536-D1620 IonicContact NE-OD1 3.74Å; R1536-D1620 IonicContact NH2-OD1 3.34Å; R1536-D1620 PolarHBondContact NH2-OD1 3.48Å; R1536-T1624 HydrophobicContact CG-CG2 4.39Å |
| 1537 | D | 85.2 | Confident | 80.9 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.9 | -41.1 | 177.4 | -67.3 | -16.1 | 0 | 0 | 0 | 111.6 | A1533 I1534 W1535 R1540 K1541 | A1533-D1537 PolarHBondContact O-N 3.18Å; I1534-D1537 PolarHBondContact O-N 3.48Å; W1535-D1537 VanDerWaalsContact C-N 3.32Å; W1535-D1537 PolarHBondContact O-N 3.38Å; D1537-R1540 PolarHBondContact O-N 2.92Å; D1537-R1540 IonicContact OD1-CZ 3.43Å; D1537-R1540 VanDerWaalsContact OD1-CZ 3.25Å; D1537-R1540 IonicContact OD1-NH1 2.79Å; D1537-R1540 PolarHBondContact OD1-NH1 3.36Å; D1537-R1540 IonicContact OD1-NH2 3.7Å; D1537-R1540 PolarHBondContact OD1-NH2 3.23Å; D1537-R1540 VanDerWaalsContact OD1-NH2 3.15Å; D1537-K1541 WeakPolarHBondContact O-CB 3.49Å; D1537-K1541 PolarHBondContact O-N 3.46Å |
| 1538 | L | 87.5 | Confident | 79.2 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -50.9 | 174 | 179.2 | 62.5 | 0 | 0 | 0 | 111.5 | H1513 E1514 L1517 I1534 W1535 R1540 K1541 I1542 F1597 | H1513-L1538 HydrophobicContact CB-CB 3.82Å; H1513-L1538 HydrophobicContact CB-CD1 4.02Å; H1513-L1538 HydrophobicContact CB-CG 4.4Å; E1514-L1538 HydrophobicContact CG-CD1 3.78Å; E1514-L1538 HydrophobicContact CG-CD2 4.21Å; L1517-L1538 HydrophobicContact CD1-CD2 4.31Å; I1534-L1538 WeakPolarHBondContact O-CB 3.5Å; I1534-L1538 PolarHBondContact O-N 3.44Å; W1535-L1538 HydrophobicContact CE3-CD2 4.1Å; W1535-L1538 HydrophobicContact CZ3-CD2 3.98Å; W1535-L1538 PolarHBondContact O-N 3.37Å; L1538-R1540 PolarHBondContact O-N 2.88Å; L1538-K1541 WeakPolarHBondContact O-CB 3.4Å; L1538-K1541 PolarHBondContact O-N 2.98Å; L1538-K1541 VanDerWaalsContact O-N 3.14Å; L1538-I1542 HydrophobicContact CD1-CD1 4.16Å; L1538-I1542 HydrophobicContact CG-CD1 4.16Å; L1538-I1542 WeakPolarHBondContact O-CG1 3.16Å; L1538-I1542 PolarHBondContact O-N 2.85Å; L1538-F1597 HydrophobicContact CD2-CE2 3.93Å; L1538-F1597 HydrophobicContact CD2-CZ 4.36Å |
| 1539 | L | 86.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 179.1 | -68.4 | 171.8 | 0 | 0 | 0 | 111.3 | W1535 K1541 I1542 L1543 L1590 I1621 T1624 L1625 | W1535-L1539 HydrophobicContact CE3-CG 4.43Å; W1535-L1539 WeakPolarHBondContact O-CB 3.2Å; W1535-L1539 VanDerWaalsContact O-CG 3.32Å; W1535-L1539 WeakPolarHBondContact O-CG 3.29Å; W1535-L1539 PolarHBondContact O-N 3.26Å; L1539-K1541 VanDerWaalsContact C-N 3.28Å; L1539-K1541 PolarHBondContact O-N 2.74Å; L1539-I1542 PolarHBondContact O-N 3.02Å; L1539-L1543 VanDerWaalsContact O-CB 3.32Å; L1539-L1543 WeakPolarHBondContact O-CB 3.32Å; L1539-L1543 WeakPolarHBondContact O-CD1 3.26Å; L1539-L1543 WeakPolarHBondContact O-CG 3.44Å; L1539-L1543 PolarHBondContact O-N 3.07Å; L1539-L1590 HydrophobicContact CD2-CD2 3.93Å; L1539-I1621 HydrophobicContact CD1-CB 4.29Å; L1539-I1621 HydrophobicContact CD1-CG1 4.21Å; L1539-I1621 HydrophobicContact CD1-CG2 4.07Å; L1539-T1624 WeakPolarHBondContact CD1-OG1 3.39Å; L1539-L1625 HydrophobicContact CD2-CD2 4.42Å |
| 1540 | R | 84.2 | Confident | 74.6 | Confident | 133 Ų | 133 | 66 Ų | 66 | 50% | 0.502 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 173.5 | -81 | -171.2 | -108.4 | 113.8 | 2.9 | 112.3 | R1536 D1537 L1538 N1544 | R1536-R1540 VanDerWaalsContact O-CB 3.31Å; R1536-R1540 WeakPolarHBondContact O-CB 3.32Å; R1536-R1540 VanDerWaalsContact O-CG 3.31Å; R1536-R1540 WeakPolarHBondContact O-CG 3.46Å; R1536-R1540 PolarHBondContact O-N 3.36Å; D1537-R1540 PolarHBondContact O-N 2.92Å; D1537-R1540 IonicContact OD1-CZ 3.43Å; D1537-R1540 VanDerWaalsContact OD1-CZ 3.25Å; D1537-R1540 IonicContact OD1-NH1 2.79Å; D1537-R1540 PolarHBondContact OD1-NH1 3.36Å; D1537-R1540 IonicContact OD1-NH2 3.7Å; D1537-R1540 PolarHBondContact OD1-NH2 3.23Å; D1537-R1540 VanDerWaalsContact OD1-NH2 3.15Å; L1538-R1540 PolarHBondContact O-N 2.88Å; R1540-N1544 VanDerWaalsContact O-CB 3.26Å; R1540-N1544 WeakPolarHBondContact O-CB 3.45Å; R1540-N1544 VanDerWaalsContact O-CG 3.29Å; R1540-N1544 PolarHBondContact O-N 3.4Å; R1540-N1544 PolarHBondContact O-ND2 3.16Å |
| 1541 | K | 83 | Confident | 71.8 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.5 | -174.2 | 179.8 | 179.6 | -179.4 | 0 | 111.6 | D1537 L1538 L1539 | D1537-K1541 WeakPolarHBondContact O-CB 3.49Å; D1537-K1541 PolarHBondContact O-N 3.46Å; L1538-K1541 WeakPolarHBondContact O-CB 3.4Å; L1538-K1541 PolarHBondContact O-N 2.98Å; L1538-K1541 VanDerWaalsContact O-N 3.14Å; L1539-K1541 VanDerWaalsContact C-N 3.28Å; L1539-K1541 PolarHBondContact O-N 2.74Å |
| 1542 | I | 82.5 | Confident | 69 | Low | 17 Ų | 17 | 74.6 Ų | 74.6 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 179.3 | -63.9 | 167.9 | 0 | 0 | 0 | 110.8 | L1538 L1539 N1544 L1590 C1593 | L1538-I1542 HydrophobicContact CD1-CD1 4.16Å; L1538-I1542 HydrophobicContact CG-CD1 4.16Å; L1538-I1542 WeakPolarHBondContact O-CG1 3.16Å; L1538-I1542 PolarHBondContact O-N 2.85Å; L1539-I1542 PolarHBondContact O-N 3.02Å; I1542-N1544 VanDerWaalsContact C-N 3.34Å; I1542-N1544 PolarHBondContact O-N 3.08Å; I1542-L1590 HydrophobicContact CB-CD2 4.4Å; I1542-L1590 HydrophobicContact CD1-CD2 4.37Å; I1542-L1590 HydrophobicContact CG2-CD2 3.79Å; I1542-L1590 HydrophobicContact CG2-CG 3.87Å; I1542-C1593 HydrophobicContact CD1-CB 4.12Å |
| 1543 | L | 82.2 | Confident | 66.4 | Low | 15 Ų | 15 | 77.3 Ų | 77.3 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.1 | -26.3 | -175.8 | -67.4 | 171.3 | 0 | 0 | 0 | 113.8 | L1539 I1586 L1590 L1625 Y1628 | L1539-L1543 VanDerWaalsContact O-CB 3.32Å; L1539-L1543 WeakPolarHBondContact O-CB 3.32Å; L1539-L1543 WeakPolarHBondContact O-CD1 3.26Å; L1539-L1543 WeakPolarHBondContact O-CG 3.44Å; L1539-L1543 PolarHBondContact O-N 3.07Å; L1543-I1586 HydrophobicContact CD2-CG2 4.06Å; L1543-L1590 HydrophobicContact CD2-CD1 3.96Å; L1543-L1625 HydrophobicContact CD1-CD2 4.42Å; L1543-L1625 HydrophobicContact CD2-CD2 4.32Å; L1543-Y1628 HydrophobicContact CB-CD2 3.93Å; L1543-Y1628 HydrophobicContact CB-CE2 3.86Å; L1543-Y1628 HydrophobicContact CB-CG 4.49Å; L1543-Y1628 HydrophobicContact CD1-CD2 3.96Å; L1543-Y1628 HydrophobicContact CD1-CG 3.9Å; L1543-Y1628 HydrophobicContact CD2-CD1 3.65Å; L1543-Y1628 HydrophobicContact CD2-CD2 4.05Å; L1543-Y1628 HydrophobicContact CD2-CE1 3.81Å; L1543-Y1628 HydrophobicContact CD2-CE2 4.2Å; L1543-Y1628 HydrophobicContact CD2-CG 3.78Å; L1543-Y1628 HydrophobicContact CG-CD2 4.2Å; L1543-Y1628 HydrophobicContact CG-CE2 4.46Å; L1543-Y1628 HydrophobicContact CG-CG 4.27Å |
| 1544 | N | 75.6 | Confident | 63.6 | Low | 117 Ų | 117 | 81.6 Ų | 81.6 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.6 | -175.9 | -69.4 | -33.9 | 0 | 0 | 0 | 114.9 | R1540 I1542 P1546 | R1540-N1544 VanDerWaalsContact O-CB 3.26Å; R1540-N1544 WeakPolarHBondContact O-CB 3.45Å; R1540-N1544 VanDerWaalsContact O-CG 3.29Å; R1540-N1544 PolarHBondContact O-N 3.4Å; R1540-N1544 PolarHBondContact O-ND2 3.16Å; I1542-N1544 VanDerWaalsContact C-N 3.34Å; I1542-N1544 PolarHBondContact O-N 3.08Å; N1544-P1546 VanDerWaalsContact O-CD 3.29Å; N1544-P1546 WeakPolarHBondContact O-CD 3.43Å |
| 1545 | Q | 67.1 | Low | 60.7 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 119.7 | -178.3 | -95.6 | 177.8 | -13.4 | 0 | 0 | 112.3 | ||
| 1546 | P | 53.1 | Low | 57.7 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 70% | 0.701 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 134 | 172.3 | 29.9 | -31.1 | 0 | 0 | 0 | 110.5 | N1544 I1548 | N1544-P1546 VanDerWaalsContact O-CD 3.29Å; N1544-P1546 WeakPolarHBondContact O-CD 3.43Å; P1546-I1548 PolarHBondContact O-N 3.15Å |
| 1547 | S | 45.3 | Very low | 55 | Low | 70 Ų | 70 | 96.3 Ų | 96.3 | 49% | 0.49 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 116 | -179.5 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | T1582 | S1547-T1582 VanDerWaalsContact CB-CG2 3.41Å; S1547-T1582 VanDerWaalsContact OG-CG2 3.24Å; S1547-T1582 WeakPolarHBondContact OG-CG2 3.36Å |
| 1548 | I | 49.4 | Very low | 52.2 | Low | 111 Ų | 111 | 102.1 Ų | 102.1 | 57% | 0.569 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 123.6 | 165.3 | -63.7 | 173.3 | 0 | 0 | 0 | 107.1 | P1546 T1550 | P1546-I1548 PolarHBondContact O-N 3.15Å; I1548-T1550 PolarHBondContact O-N 3.23Å; I1548-T1550 VanDerWaalsContact O-N 3.1Å |
| 1549 | D | 35 | Very low | 49.3 | Very low | 149 Ų | 149 | 110.9 Ų | 110.9 | 80% | 0.797 | 61% | 0.61 | S | S | * | * | trans | -56.2 | 107 | -176.3 | -72.1 | -41.9 | 0 | 0 | 0 | 112.7 | T1551 | D1549-T1551 PolarHBondContact O-N 3.24Å; D1549-T1551 VanDerWaalsContact O-N 3.16Å | ||
| 1550 | T | 36.3 | Very low | 46.3 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | -78.6 | 89.7 | 167.3 | 34.8 | 0 | 0 | 0 | 0 | 110.5 | I1548 | I1548-T1550 PolarHBondContact O-N 3.23Å; I1548-T1550 VanDerWaalsContact O-N 3.1Å | ||
| 1551 | T | 30 | Very low | 43.5 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | trans | -127.7 | 89.7 | 154.2 | 51 | 0 | 0 | 0 | 0 | 109.3 | D1549 | D1549-T1551 PolarHBondContact O-N 3.24Å; D1549-T1551 VanDerWaalsContact O-N 3.16Å | ||
| 1552 | T | 28.4 | Very low | 41.2 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 77% | 0.767 | 69% | 0.689 | S | S | * | * | trans | 169.9 | 143.9 | 145.8 | 28.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1553 | T | 32.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | trans | 102.6 | 67.4 | 170 | -30.2 | 0 | 0 | 0 | 0 | 116.2 | Q1555 | T1553-Q1555 PolarHBondContact O-N 3.28Š| ||
| 1554 | T | 26.7 | Very low | 35.7 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -56.9 | 116 | 134.6 | 43.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1555 | Q | 28 | Very low | 33.4 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | 178.1 | 131.9 | 132.8 | -98.2 | 175.2 | 17.2 | 0 | 0 | 112.6 | T1553 | T1553-Q1555 PolarHBondContact O-N 3.28Š| ||
| 1556 | S | 25.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 101.5 | 122.2 | 152.2 | 78.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1557 | P | 29.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 142.5 | -176 | 37.7 | -29.9 | 0 | 0 | 0 | 112.1 | ||
| 1558 | L | 28.2 | Very low | 29.5 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 116.4 | 162.9 | -99.7 | 142.5 | 0 | 0 | 0 | 109.8 | R1560 | L1558-R1560 PolarHBondContact O-N 3.07Š|
| 1559 | K | 25.9 | Very low | 28.5 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 123.6 | 174.4 | -73.4 | 169.4 | 173.5 | 174 | 0 | 111.3 | ||
| 1560 | R | 24.3 | Very low | 28 | Very low | 253 Ų | 253 | 151 Ų | 151 | 96% | 0.955 | 82% | 0.816 | S | S | * | * | trans | -136.8 | 130.9 | 138.4 | -80.2 | -171.8 | -178.6 | 178.7 | 0.8 | 107.9 | L1558 | L1558-R1560 PolarHBondContact O-N 3.07Š| ||
| 1561 | S | 25.8 | Very low | 28.1 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -149.3 | 164.4 | 171.9 | 63.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1562 | P | 34.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -135.8 | 163.1 | -8.5 | 33.8 | -15.1 | 0 | 0 | 0 | 115 | ||||
| 1563 | S | 24.2 | Very low | 27.8 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | -160 | 142.2 | 129.8 | 63.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 1564 | M | 24.5 | Very low | 27.7 | Very low | 170 Ų | 170 | 153 Ų | 153 | 84% | 0.837 | 81% | 0.807 | S | S | * | * | trans | -49.1 | 138.7 | -171.2 | -68.1 | 172.5 | 179.1 | 0 | 0 | 116.9 | ||||
| 1565 | F | 26.7 | Very low | 27.9 | Very low | 195 Ų | 195 | 156 Ų | 156 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | 176.6 | 137.7 | 103.7 | -107.8 | -88.6 | 0 | 0 | 0 | 110 | |||||
| 1566 | T | 26.1 | Very low | 28.1 | Very low | 125 Ų | 125 | 153 Ų | 153 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | -101.8 | -179 | 166.9 | 55.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1567 | P | 33.7 | Very low | 28.5 | Very low | 98 Ų | 98 | 152.7 Ų | 152.7 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | cis | -150.1 | -177.7 | 7.3 | 43.2 | -22.1 | 0 | 0 | 0 | 118.8 | ||||
| 1568 | Y | 24.4 | Very low | 29.3 | Very low | 214 Ų | 214 | 154 Ų | 154 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 66.8 | 140.7 | 154.9 | -75.5 | -74.5 | 0 | 0 | 0 | 120.4 | ||||
| 1569 | T | 27.4 | Very low | 30.2 | Very low | 131 Ų | 131 | 155.6 Ų | 155.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -165.6 | 156.6 | 31.2 | -16.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1570 | K | 24.7 | Very low | 31.8 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -75.7 | -175.4 | 172.1 | -97 | -177.8 | -178.6 | 178.9 | 0 | 113.3 | ||||
| 1571 | P | 37.8 | Very low | 33.6 | Very low | 97 Ų | 97 | 141 Ų | 141 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | cis | -144.5 | -170.3 | -33.8 | 39.5 | -19.4 | 0 | 0 | 0 | 115.2 | ||||
| 1572 | Q | 25.9 | Very low | 35.7 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | 101.4 | 121.9 | 142.1 | -86.8 | 176.4 | -16 | 0 | 0 | 123.3 | ||||
| 1573 | D | 26.8 | Very low | 37.7 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | trans | 91.5 | 128.1 | 130.8 | -79 | -15 | 0 | 0 | 0 | 124.3 | ||||
| 1574 | I | 29.9 | Very low | 40.2 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 81% | 0.805 | 69% | 0.685 | S | S | * | * | trans | 112.3 | 113.9 | 147.9 | -61.9 | 145.9 | 0 | 0 | 0 | 119 | ||||
| 1575 | K | 31 | Very low | 42.8 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | trans | -44.7 | 125.2 | 163.4 | -63.5 | 165.9 | 175.3 | 175.2 | 0 | 113.3 | ||||
| 1576 | T | 32.3 | Very low | 45.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | trans | -160.3 | 119.7 | 143.3 | 33.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1577 | T | 35 | Very low | 48 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 69% | 0.693 | 61% | 0.609 | S | S | * | * | trans | 66.2 | 115.4 | 152.8 | 65.5 | 0 | 0 | 0 | 0 | 120 | R1579 S1580 | T1577-R1579 PolarHBondContact O-N 2.96Å; T1577-S1580 PolarHBondContact O-N 3.44Å | ||
| 1578 | N | 46.3 | Very low | 50.3 | Low | 152 Ų | 152 | 118.8 Ų | 118.8 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 4.8 | 177.1 | -78.2 | -7.7 | 0 | 0 | 0 | 117.7 | S1581 | N1578-S1581 PolarHBondContact O-OG 3.16Š|
| 1579 | R | 47.6 | Very low | 53 | Low | 215 Ų | 215 | 111.1 Ų | 111.1 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -84 | -26.7 | 172 | -94 | -177.6 | 168.2 | 176.2 | -4.2 | 113.2 | T1577 T1582 | T1577-R1579 PolarHBondContact O-N 2.96Å; R1579-T1582 PolarHBondContact O-OG1 3.38Å |
| 1580 | S | 58.2 | Low | 55.8 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.1 | -32.8 | -177.4 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | T1577 Q1584 | T1577-S1580 PolarHBondContact O-N 3.44Å; S1580-Q1584 WeakPolarHBondContact O-CB 3.36Å; S1580-Q1584 PolarHBondContact O-N 3.43Å |
| 1581 | S | 63.4 | Low | 58.6 | Low | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | -178.9 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | N1578 L1585 | N1578-S1581 PolarHBondContact O-OG 3.16Å; S1581-L1585 WeakPolarHBondContact O-CB 3.32Å; S1581-L1585 PolarHBondContact O-N 2.84Å; S1581-L1585 VanDerWaalsContact O-N 3.09Å |
| 1582 | T | 68.8 | Low | 60.6 | Low | 40 Ų | 40 | 97.3 Ų | 97.3 | 25% | 0.245 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 175.9 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | S1547 R1579 L1585 I1586 | S1547-T1582 VanDerWaalsContact CB-CG2 3.41Å; S1547-T1582 VanDerWaalsContact OG-CG2 3.24Å; S1547-T1582 WeakPolarHBondContact OG-CG2 3.36Å; R1579-T1582 PolarHBondContact O-OG1 3.38Å; T1582-L1585 PolarHBondContact O-N 3.13Å; T1582-I1586 WeakPolarHBondContact O-CG1 3.48Å; T1582-I1586 PolarHBondContact O-N 3.46Å |
| 1583 | L | 77 | Confident | 63.4 | Low | 46 Ų | 46 | 89.7 Ų | 89.7 | 24% | 0.241 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -69 | -41.7 | -178.3 | -150.3 | 163.2 | 0 | 0 | 0 | 111.5 | L1585 I1586 E1587 L1634 W1638 | L1583-L1585 VanDerWaalsContact C-N 3.28Å; L1583-L1585 PolarHBondContact O-N 2.88Å; L1583-I1586 PolarHBondContact O-N 3.33Å; L1583-I1586 VanDerWaalsContact O-N 3.15Å; L1583-E1587 HydrophobicContact CD2-CG 3.95Å; L1583-E1587 WeakPolarHBondContact CD2-OE1 3.18Å; L1583-E1587 WeakPolarHBondContact O-CG 3.48Å; L1583-E1587 PolarHBondContact O-N 2.75Å; L1583-L1634 HydrophobicContact CD1-CD1 4.31Å; L1583-L1634 HydrophobicContact CD1-CD2 3.53Å; L1583-W1638 HydrophobicContact CD2-CZ2 4.07Å |
| 1584 | Q | 77.8 | Confident | 66.1 | Low | 116 Ų | 116 | 83.3 Ų | 83.3 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 174.7 | -166 | 174.8 | 12.8 | 0 | 0 | 112.2 | S1580 E1587 L1588 | S1580-Q1584 WeakPolarHBondContact O-CB 3.36Å; S1580-Q1584 PolarHBondContact O-N 3.43Å; Q1584-E1587 PolarHBondContact O-N 2.68Å; Q1584-L1588 HydrophobicContact CG-CD1 4.48Å; Q1584-L1588 VanDerWaalsContact O-CG 3.3Å; Q1584-L1588 WeakPolarHBondContact O-CG 3.31Å; Q1584-L1588 PolarHBondContact O-N 3.27Å |
| 1585 | L | 77.1 | Confident | 68.6 | Low | 95 Ų | 95 | 77.8 Ų | 77.8 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | 173.6 | -167.6 | 70.7 | 0 | 0 | 0 | 111.7 | S1581 T1582 L1583 L1588 T1589 | S1581-L1585 WeakPolarHBondContact O-CB 3.32Å; S1581-L1585 PolarHBondContact O-N 2.84Å; S1581-L1585 VanDerWaalsContact O-N 3.09Å; T1582-L1585 PolarHBondContact O-N 3.13Å; L1583-L1585 VanDerWaalsContact C-N 3.28Å; L1583-L1585 PolarHBondContact O-N 2.88Å; L1585-L1588 PolarHBondContact O-N 3.06Å; L1585-T1589 WeakPolarHBondContact O-CB 3.44Å; L1585-T1589 VanDerWaalsContact O-CG2 3.26Å; L1585-T1589 WeakPolarHBondContact O-CG2 3.3Å; L1585-T1589 PolarHBondContact O-N 3.44Å; L1585-T1589 PolarHBondContact O-OG1 2.86Å |
| 1586 | I | 81 | Confident | 70.9 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 173.8 | -67.8 | 166.7 | 0 | 0 | 0 | 110.6 | L1543 T1582 L1583 T1589 L1590 | L1543-I1586 HydrophobicContact CD2-CG2 4.06Å; T1582-I1586 WeakPolarHBondContact O-CG1 3.48Å; T1582-I1586 PolarHBondContact O-N 3.46Å; L1583-I1586 PolarHBondContact O-N 3.33Å; L1583-I1586 VanDerWaalsContact O-N 3.15Å; I1586-T1589 WeakPolarHBondContact CA-OG1 3.46Å; I1586-T1589 PolarHBondContact O-N 3.07Å; I1586-T1589 PolarHBondContact O-OG1 2.91Å; I1586-L1590 HydrophobicContact CG2-CD1 3.76Å; I1586-L1590 HydrophobicContact CG2-CG 4.28Å; I1586-L1590 VanDerWaalsContact O-CB 3.32Å; I1586-L1590 WeakPolarHBondContact O-CB 3.3Å; I1586-L1590 WeakPolarHBondContact O-CG 3.43Å; I1586-L1590 PolarHBondContact O-N 3.41Å |
| 1587 | E | 82.5 | Confident | 73.3 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 29% | 0.29 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 175.8 | -76.2 | 169.5 | -177.3 | 0 | 0 | 111.7 | L1583 Q1584 T1589 L1590 Q1591 W1638 I1642 | L1583-E1587 HydrophobicContact CD2-CG 3.95Å; L1583-E1587 WeakPolarHBondContact CD2-OE1 3.18Å; L1583-E1587 WeakPolarHBondContact O-CG 3.48Å; L1583-E1587 PolarHBondContact O-N 2.75Å; Q1584-E1587 PolarHBondContact O-N 2.68Å; E1587-T1589 PolarHBondContact O-N 3.21Å; E1587-L1590 PolarHBondContact O-N 2.93Å; E1587-Q1591 VanDerWaalsContact O-CB 3.27Å; E1587-Q1591 WeakPolarHBondContact O-CB 3.45Å; E1587-Q1591 PolarHBondContact O-N 3.38Å; E1587-W1638 HydrophobicContact CG-CZ2 3.96Å; E1587-W1638 VanDerWaalsContact OE1-CD1 3.28Å; E1587-W1638 PolarHBondContact OE1-NE1 3Å; E1587-I1642 HydrophobicContact CG-CD1 4.19Å; E1587-I1642 HydrophobicContact CG-CG1 4.42Å |
| 1588 | L | 81.4 | Confident | 75.3 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | -179.6 | -71.5 | 170 | 0 | 0 | 0 | 112.2 | Q1584 L1585 D1592 | Q1584-L1588 HydrophobicContact CG-CD1 4.48Å; Q1584-L1588 VanDerWaalsContact O-CG 3.3Å; Q1584-L1588 WeakPolarHBondContact O-CG 3.31Å; Q1584-L1588 PolarHBondContact O-N 3.27Å; L1585-L1588 PolarHBondContact O-N 3.06Å; L1588-D1592 VanDerWaalsContact O-CB 3.3Å; L1588-D1592 WeakPolarHBondContact O-CB 3.18Å; L1588-D1592 PolarHBondContact O-N 3.04Å |
| 1589 | T | 81.9 | Confident | 76.6 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 178.5 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | L1585 I1586 E1587 C1593 | L1585-T1589 WeakPolarHBondContact O-CB 3.44Å; L1585-T1589 VanDerWaalsContact O-CG2 3.26Å; L1585-T1589 WeakPolarHBondContact O-CG2 3.3Å; L1585-T1589 PolarHBondContact O-N 3.44Å; L1585-T1589 PolarHBondContact O-OG1 2.86Å; I1586-T1589 WeakPolarHBondContact CA-OG1 3.46Å; I1586-T1589 PolarHBondContact O-N 3.07Å; I1586-T1589 PolarHBondContact O-OG1 2.91Å; E1587-T1589 PolarHBondContact O-N 3.21Å; T1589-C1593 WeakPolarHBondContact O-CB 3.27Å; T1589-C1593 PolarHBondContact O-N 3.37Å |
| 1590 | L | 85.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -44 | 172.4 | -77.7 | 171.8 | 0 | 0 | 0 | 111.8 | L1539 I1542 L1543 I1586 E1587 C1593 L1594 L1625 W1638 I1642 | L1539-L1590 HydrophobicContact CD2-CD2 3.93Å; I1542-L1590 HydrophobicContact CB-CD2 4.4Å; I1542-L1590 HydrophobicContact CD1-CD2 4.37Å; I1542-L1590 HydrophobicContact CG2-CD2 3.79Å; I1542-L1590 HydrophobicContact CG2-CG 3.87Å; L1543-L1590 HydrophobicContact CD2-CD1 3.96Å; I1586-L1590 HydrophobicContact CG2-CD1 3.76Å; I1586-L1590 HydrophobicContact CG2-CG 4.28Å; I1586-L1590 VanDerWaalsContact O-CB 3.32Å; I1586-L1590 WeakPolarHBondContact O-CB 3.3Å; I1586-L1590 WeakPolarHBondContact O-CG 3.43Å; I1586-L1590 PolarHBondContact O-N 3.41Å; E1587-L1590 PolarHBondContact O-N 2.93Å; L1590-C1593 PolarHBondContact O-N 3.19Å; L1590-L1594 WeakPolarHBondContact O-CB 3.29Å; L1590-L1594 WeakPolarHBondContact O-CG 3.4Å; L1590-L1594 PolarHBondContact O-N 2.77Å; L1590-L1625 HydrophobicContact CD1-CD2 3.8Å; L1590-L1625 HydrophobicContact CD2-CD2 3.99Å; L1590-W1638 HydrophobicContact CD1-CH2 3.93Å; L1590-I1642 HydrophobicContact CB-CG2 4.18Å; L1590-I1642 HydrophobicContact CD1-CD1 4.25Å |
| 1591 | Q | 83.7 | Confident | 78.7 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 177.4 | -175.6 | -171.7 | -9 | 0 | 0 | 111 | E1587 S1595 D1645 | E1587-Q1591 VanDerWaalsContact O-CB 3.27Å; E1587-Q1591 WeakPolarHBondContact O-CB 3.45Å; E1587-Q1591 PolarHBondContact O-N 3.38Å; Q1591-S1595 WeakPolarHBondContact O-CB 3.4Å; Q1591-S1595 PolarHBondContact O-N 3.04Å; Q1591-S1595 PolarHBondContact O-OG 3.31Å; Q1591-D1645 HydrophobicContact CG-CB 4.22Å; Q1591-D1645 VanDerWaalsContact NE2-C 3.34Å; Q1591-D1645 PolarHBondContact NE2-O 3.49Å |
| 1592 | D | 79.4 | Confident | 79 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 176.7 | -179.3 | 67 | 0 | 0 | 0 | 111.3 | L1588 L1594 S1595 R1596 | L1588-D1592 VanDerWaalsContact O-CB 3.3Å; L1588-D1592 WeakPolarHBondContact O-CB 3.18Å; L1588-D1592 PolarHBondContact O-N 3.04Å; D1592-L1594 PolarHBondContact O-N 3.15Å; D1592-S1595 PolarHBondContact O-N 2.85Å; D1592-S1595 PolarHBondContact O-OG 2.81Å; D1592-R1596 WeakPolarHBondContact O-CB 3.33Å; D1592-R1596 VanDerWaalsContact O-CG 3.31Å; D1592-R1596 WeakPolarHBondContact O-CG 3.34Å; D1592-R1596 PolarHBondContact O-N 2.87Å; D1592-R1596 IonicContact OD1-NE 3.19Å; D1592-R1596 IonicContact OD2-CZ 3.29Å; D1592-R1596 IonicContact OD2-NE 2.67Å; D1592-R1596 PolarHBondContact OD2-NE 3Å; D1592-R1596 IonicContact OD2-NH2 2.7Å; D1592-R1596 PolarHBondContact OD2-NH2 2.8Å |
| 1593 | C | 85 | Confident | 78.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.5 | -52.7 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | I1542 T1589 L1590 S1595 R1596 F1597 | I1542-C1593 HydrophobicContact CD1-CB 4.12Å; T1589-C1593 WeakPolarHBondContact O-CB 3.27Å; T1589-C1593 PolarHBondContact O-N 3.37Å; L1590-C1593 PolarHBondContact O-N 3.19Å; C1593-S1595 PolarHBondContact O-N 3.37Å; C1593-R1596 PolarHBondContact O-N 3.01Å; C1593-F1597 WeakPolarHBondContact O-CD2 3.4Å; C1593-F1597 PolarHBondContact O-N 3.41Å; C1593-F1597 VanDerWaalsContact O-N 3.13Å |
| 1594 | L | 84.6 | Confident | 77.6 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | -178 | -68.6 | 175.4 | 0 | 0 | 0 | 112.4 | W1535 L1590 D1592 G1598 F1616 I1621 L1625 I1642 L1643 | W1535-L1594 HydrophobicContact CZ3-CD2 4.42Å; L1590-L1594 WeakPolarHBondContact O-CB 3.29Å; L1590-L1594 WeakPolarHBondContact O-CG 3.4Å; L1590-L1594 PolarHBondContact O-N 2.77Å; D1592-L1594 PolarHBondContact O-N 3.15Å; L1594-G1598 WeakPolarHBondContact O-CA 3.26Å; L1594-G1598 PolarHBondContact O-N 3.46Å; L1594-F1616 HydrophobicContact CD2-CE2 4.45Å; L1594-F1616 HydrophobicContact CD2-CZ 4.12Å; L1594-I1621 HydrophobicContact CD2-CG2 4.05Å; L1594-L1625 HydrophobicContact CD1-CD1 4.48Å; L1594-I1642 HydrophobicContact CD1-CG2 4.27Å; L1594-L1643 HydrophobicContact CD1-CD2 4.12Å |
| 1595 | S | 82.5 | Confident | 76.4 | Confident | 40 Ų | 40 | 54 Ų | 54 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 176 | 74 | 0 | 0 | 0 | 0 | 112.5 | Q1591 D1592 C1593 G1598 S1599 S1646 | Q1591-S1595 WeakPolarHBondContact O-CB 3.4Å; Q1591-S1595 PolarHBondContact O-N 3.04Å; Q1591-S1595 PolarHBondContact O-OG 3.31Å; D1592-S1595 PolarHBondContact O-N 2.85Å; D1592-S1595 PolarHBondContact O-OG 2.81Å; C1593-S1595 PolarHBondContact O-N 3.37Å; S1595-G1598 PolarHBondContact O-N 3.26Å; S1595-S1599 PolarHBondContact O-N 2.78Å; S1595-S1599 VanDerWaalsContact O-N 3.11Å; S1595-S1599 PolarHBondContact O-OG 2.95Å; S1595-S1646 WeakPolarHBondContact CB-O 3.39Å |
| 1596 | R | 79.1 | Confident | 75.3 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 177.9 | -75.3 | -169.5 | -70.8 | 127.4 | 4.3 | 112.2 | E1514 D1592 C1593 S1599 | E1514-R1596 IonicContact OE1-CZ 3.67Å; E1514-R1596 IonicContact OE1-NH1 3.57Å; E1514-R1596 IonicContact OE1-NH2 3.16Å; E1514-R1596 PolarHBondContact OE1-NH2 2.85Å; E1514-R1596 IonicContact OE2-CZ 3.18Å; E1514-R1596 IonicContact OE2-NH1 3.92Å; E1514-R1596 PolarHBondContact OE2-NH1 3.29Å; E1514-R1596 IonicContact OE2-NH2 3.15Å; E1514-R1596 PolarHBondContact OE2-NH2 3Å; D1592-R1596 WeakPolarHBondContact O-CB 3.33Å; D1592-R1596 VanDerWaalsContact O-CG 3.31Å; D1592-R1596 WeakPolarHBondContact O-CG 3.34Å; D1592-R1596 PolarHBondContact O-N 2.87Å; D1592-R1596 IonicContact OD1-NE 3.19Å; D1592-R1596 IonicContact OD2-CZ 3.29Å; D1592-R1596 IonicContact OD2-NE 2.67Å; D1592-R1596 PolarHBondContact OD2-NE 3Å; D1592-R1596 IonicContact OD2-NH2 2.7Å; D1592-R1596 PolarHBondContact OD2-NH2 2.8Å; C1593-R1596 PolarHBondContact O-N 3.01Å; R1596-S1599 PolarHBondContact O-OG 3.07Å |
| 1597 | F | 83.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.7 | -35.8 | 175.6 | -73.5 | -68.4 | 0 | 0 | 0 | 112.7 | E1514 L1517 F1518 W1535 L1538 C1593 R1600 F1601 F1616 | E1514-F1597 HydrophobicContact CB-CE2 4.4Å; E1514-F1597 HydrophobicContact CB-CZ 3.68Å; E1514-F1597 HydrophobicContact CG-CE2 3.91Å; E1514-F1597 HydrophobicContact CG-CZ 3.69Å; L1517-F1597 HydrophobicContact CB-CE1 4.03Å; L1517-F1597 HydrophobicContact CD1-CE1 4.05Å; L1517-F1597 HydrophobicContact CD1-CZ 4.19Å; F1518-F1597 AromaticContact CD2-CE1 3.81Å; F1518-F1597 HydrophobicContact CD2-CE1 3.81Å; F1518-F1597 HydrophobicContact CD2-CZ 4.4Å; F1518-F1597 HydrophobicContact CE1-CD1 4.1Å; F1518-F1597 HydrophobicContact CE1-CE1 4.14Å; F1518-F1597 AromaticContact CE2-CD1 3.96Å; F1518-F1597 HydrophobicContact CE2-CD1 3.96Å; F1518-F1597 AromaticContact CE2-CE1 3.29Å; F1518-F1597 HydrophobicContact CE2-CE1 3.29Å; F1518-F1597 AromaticContact CE2-CZ 3.78Å; F1518-F1597 HydrophobicContact CE2-CZ 3.78Å; F1518-F1597 HydrophobicContact CG-CE1 4.44Å; F1518-F1597 AromaticContact CZ-CD1 3.63Å; F1518-F1597 HydrophobicContact CZ-CD1 3.63Å; F1518-F1597 AromaticContact CZ-CE1 3.48Å; F1518-F1597 HydrophobicContact CZ-CE1 3.48Å; F1518-F1597 VanDerWaalsContact CZ-CE1 3.48Å; F1518-F1597 HydrophobicContact CZ-CZ 4.25Å; W1535-F1597 HydrophobicContact CH2-CB 3.9Å; W1535-F1597 HydrophobicContact CH2-CD1 4.47Å; W1535-F1597 AromaticContact CH2-CD2 3.53Å; W1535-F1597 HydrophobicContact CH2-CD2 3.53Å; W1535-F1597 HydrophobicContact CH2-CE2 4.23Å; W1535-F1597 AromaticContact CH2-CG 3.7Å; W1535-F1597 HydrophobicContact CH2-CG 3.7Å; W1535-F1597 HydrophobicContact CZ2-CB 4.12Å; W1535-F1597 HydrophobicContact CZ2-CD1 4.35Å; W1535-F1597 HydrophobicContact CZ2-CD2 4.19Å; W1535-F1597 AromaticContact CZ2-CG 3.95Å; W1535-F1597 HydrophobicContact CZ2-CG 3.95Å; W1535-F1597 HydrophobicContact CZ3-CD2 4.31Å; L1538-F1597 HydrophobicContact CD2-CE2 3.93Å; L1538-F1597 HydrophobicContact CD2-CZ 4.36Å; C1593-F1597 WeakPolarHBondContact O-CD2 3.4Å; C1593-F1597 PolarHBondContact O-N 3.41Å; C1593-F1597 VanDerWaalsContact O-N 3.13Å; F1597-R1600 PolarHBondContact O-N 3.28Å; F1597-F1601 HydrophobicContact CB-CD2 4.21Å; F1597-F1601 HydrophobicContact CB-CE2 4.29Å; F1597-F1601 HydrophobicContact CD1-CD2 4.13Å; F1597-F1601 AromaticContact CD1-CE2 3.4Å; F1597-F1601 HydrophobicContact CD1-CE2 3.4Å; F1597-F1601 AromaticContact CD1-CZ 3.86Å; F1597-F1601 HydrophobicContact CD1-CZ 3.86Å; F1597-F1601 HydrophobicContact CE1-CE2 4.16Å; F1597-F1601 HydrophobicContact CE1-CZ 4.31Å; F1597-F1601 HydrophobicContact CG-CE2 4.24Å; F1597-F1601 WeakPolarHBondContact O-CB 3.22Å; F1597-F1601 PolarHBondContact O-N 3.39Å; F1597-F1616 HydrophobicContact CB-CD2 4.24Å; F1597-F1616 HydrophobicContact CB-CE2 3.85Å |
| 1598 | G | 75.5 | Confident | 72.7 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.9 | -52 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1594 S1595 R1600 L1602 | L1594-G1598 WeakPolarHBondContact O-CA 3.26Å; L1594-G1598 PolarHBondContact O-N 3.46Å; S1595-G1598 PolarHBondContact O-N 3.26Å; G1598-R1600 PolarHBondContact O-N 3.11Å; G1598-L1602 WeakPolarHBondContact O-CB 3.43Å; G1598-L1602 PolarHBondContact O-N 2.9Å |
| 1599 | S | 73.8 | Confident | 71.8 | Confident | 55 Ų | 55 | 61 Ų | 61 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 176.8 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | S1595 R1596 D1603 | S1595-S1599 PolarHBondContact O-N 2.78Å; S1595-S1599 VanDerWaalsContact O-N 3.11Å; S1595-S1599 PolarHBondContact O-OG 2.95Å; R1596-S1599 PolarHBondContact O-OG 3.07Å; S1599-D1603 WeakPolarHBondContact O-CB 3.35Å; S1599-D1603 PolarHBondContact O-N 3.1Å |
| 1600 | R | 72.7 | Confident | 71 | Confident | 156 Ų | 156 | 64.8 Ų | 64.8 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.3 | -36.6 | -176.6 | -83.9 | -79.2 | -170.3 | 158.3 | 1.6 | 114.9 | F1518 F1597 G1598 | F1518-R1600 HydrophobicContact CE1-CB 3.79Å; F1518-R1600 HydrophobicContact CE1-CG 3.88Å; F1597-R1600 PolarHBondContact O-N 3.28Å; G1598-R1600 PolarHBondContact O-N 3.11Å |
| 1601 | F | 77.7 | Confident | 70.3 | Confident | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.022 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -96.3 | -16.3 | -175 | -61.7 | -28.4 | 0 | 0 | 0 | 114.3 | L1517 F1518 W1521 F1597 C1612 F1616 | L1517-F1601 HydrophobicContact CB-CE2 4.45Å; L1517-F1601 HydrophobicContact CB-CZ 4.25Å; F1518-F1601 HydrophobicContact CD1-CE1 4Å; F1518-F1601 HydrophobicContact CD1-CZ 4.03Å; F1518-F1601 HydrophobicContact CE1-CE1 4.17Å; F1518-F1601 HydrophobicContact CE1-CZ 4.15Å; W1521-F1601 HydrophobicContact CB-CD1 4.34Å; W1521-F1601 HydrophobicContact CB-CE1 3.55Å; W1521-F1601 HydrophobicContact CB-CZ 4.22Å; W1521-F1601 AromaticContact CD1-CE1 3.84Å; W1521-F1601 HydrophobicContact CD2-CD1 4.16Å; W1521-F1601 HydrophobicContact CD2-CE1 4.24Å; W1521-F1601 AromaticContact CG-CD1 3.95Å; W1521-F1601 HydrophobicContact CG-CD1 3.95Å; W1521-F1601 AromaticContact CG-CE1 3.57Å; W1521-F1601 HydrophobicContact CG-CE1 3.57Å; F1597-F1601 HydrophobicContact CB-CD2 4.21Å; F1597-F1601 HydrophobicContact CB-CE2 4.29Å; F1597-F1601 HydrophobicContact CD1-CD2 4.13Å; F1597-F1601 AromaticContact CD1-CE2 3.4Å; F1597-F1601 HydrophobicContact CD1-CE2 3.4Å; F1597-F1601 AromaticContact CD1-CZ 3.86Å; F1597-F1601 HydrophobicContact CD1-CZ 3.86Å; F1597-F1601 HydrophobicContact CE1-CE2 4.16Å; F1597-F1601 HydrophobicContact CE1-CZ 4.31Å; F1597-F1601 HydrophobicContact CG-CE2 4.24Å; F1597-F1601 WeakPolarHBondContact O-CB 3.22Å; F1597-F1601 PolarHBondContact O-N 3.39Å; F1601-C1612 PolarHBondContact O-SG 3.14Å; F1601-F1616 HydrophobicContact CD2-CD2 4.26Å |
| 1602 | L | 69.5 | Low | 69.7 | Low | 30 Ų | 30 | 66.5 Ų | 66.5 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -113.3 | -9.7 | -174.6 | -58.5 | 164.2 | 0 | 0 | 0 | 114.7 | G1598 N1604 C1612 F1616 L1648 | G1598-L1602 WeakPolarHBondContact O-CB 3.43Å; G1598-L1602 PolarHBondContact O-N 2.9Å; L1602-N1604 VanDerWaalsContact C-N 3.27Å; L1602-N1604 PolarHBondContact O-N 3.16Å; L1602-N1604 VanDerWaalsContact O-N 3.15Å; L1602-C1612 HydrophobicContact CD2-CB 4.38Å; L1602-F1616 HydrophobicContact CD1-CD1 4.13Å; L1602-F1616 HydrophobicContact CD1-CE1 4.2Å; L1602-L1648 HydrophobicContact CD1-CD2 4.06Å |
| 1603 | D | 59.9 | Low | 69.4 | Low | 96 Ų | 96 | 66.3 Ų | 66.3 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -70.4 | -6.6 | -172.4 | -85.3 | -7 | 0 | 0 | 0 | 116 | S1599 P1605 | S1599-D1603 WeakPolarHBondContact O-CB 3.35Å; S1599-D1603 PolarHBondContact O-N 3.1Å; D1603-P1605 WeakPolarHBondContact O-CD 3.35Å |
| 1604 | N | 57 | Low | 69.2 | Low | 117 Ų | 117 | 67.8 Ų | 67.8 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | trans | -123 | 87.4 | 179.6 | -111.4 | -36.3 | 0 | 0 | 0 | 113.2 | L1602 S1606 | L1602-N1604 VanDerWaalsContact C-N 3.27Å; L1602-N1604 PolarHBondContact O-N 3.16Å; L1602-N1604 VanDerWaalsContact O-N 3.15Å; N1604-S1606 VanDerWaalsContact C-N 3.31Å; N1604-S1606 PolarHBondContact O-N 3.28Å | ||
| 1605 | P | 52.4 | Low | 69 | Low | 78 Ų | 78 | 67.8 Ų | 67.8 | 51% | 0.506 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.3 | -173.5 | 28.3 | -33.5 | 0 | 0 | 0 | 115.1 | D1603 | D1603-P1605 WeakPolarHBondContact O-CD 3.35Š|
| 1606 | S | 54.4 | Low | 69.1 | Low | 98 Ų | 98 | 66.1 Ų | 66.1 | 69% | 0.685 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -16.5 | -168.7 | 54.8 | 0 | 0 | 0 | 0 | 115.9 | N1604 | N1604-S1606 VanDerWaalsContact C-N 3.31Å; N1604-S1606 PolarHBondContact O-N 3.28Å |
| 1607 | T | 51.4 | Low | 69.4 | Low | 102 Ų | 102 | 62.2 Ų | 62.2 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -128.9 | -7.9 | -166.7 | 50 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1608 | N | 56.5 | Low | 69.4 | Low | 87 Ų | 87 | 63.2 Ų | 63.2 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | trans | -165.6 | 67.6 | 176.7 | -101.9 | -34.4 | 0 | 0 | 0 | 115.2 | L1610 R1611 C1612 | N1608-L1610 PolarHBondContact O-N 2.96Å; N1608-L1610 VanDerWaalsContact O-N 3.15Å; N1608-R1611 HydrophobicContact CB-CB 3.85Å; N1608-R1611 PolarHBondContact O-N 3.46Å; N1608-C1612 PolarHBondContact O-N 3.42Å | ||
| 1609 | H | 62.3 | Low | 69.8 | Low | 133 Ų | 133 | 64.6 Ų | 64.6 | 62% | 0.616 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -52 | -37 | 175.4 | -103.2 | -64.2 | 0 | 0 | 0 | 113.7 | S1613 | H1609-S1613 PolarHBondContact O-N 3.15Å |
| 1610 | L | 64.8 | Low | 70.3 | Confident | 132 Ų | 132 | 63.2 Ų | 63.2 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 176.5 | -104.4 | 110.2 | 0 | 0 | 0 | 112.2 | N1608 S1613 I1614 | N1608-L1610 PolarHBondContact O-N 2.96Å; N1608-L1610 VanDerWaalsContact O-N 3.15Å; L1610-S1613 PolarHBondContact O-N 3.21Å; L1610-S1613 PolarHBondContact O-OG 3.34Å; L1610-I1614 VanDerWaalsContact O-CG1 3.32Å; L1610-I1614 WeakPolarHBondContact O-CG1 3.45Å; L1610-I1614 PolarHBondContact O-N 2.97Å |
| 1611 | R | 70.2 | Confident | 70.9 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 25% | 0.249 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | -176.6 | -143.8 | -178 | 158.5 | 175.1 | -10.1 | 109.9 | W1521 N1608 S1613 I1614 Y1615 | W1521-R1611 HydrophobicContact CE3-CG 4.25Å; W1521-R1611 HydrophobicContact CH2-CG 4.21Å; W1521-R1611 HydrophobicContact CZ3-CB 4Å; W1521-R1611 HydrophobicContact CZ3-CG 3.43Å; W1521-R1611 VanDerWaalsContact CZ3-CG 3.43Å; W1521-R1611 PolarHBondContact O-NH2 2.9Å; N1608-R1611 HydrophobicContact CB-CB 3.85Å; N1608-R1611 PolarHBondContact O-N 3.46Å; R1611-S1613 VanDerWaalsContact C-N 3.33Å; R1611-S1613 PolarHBondContact O-N 3.42Å; R1611-I1614 PolarHBondContact O-N 3.3Å; R1611-I1614 VanDerWaalsContact O-N 3.14Å; R1611-Y1615 HydrophobicContact CG-CD2 3.95Å; R1611-Y1615 HydrophobicContact CG-CE2 3.68Å; R1611-Y1615 VanDerWaalsContact O-CD2 3.29Å; R1611-Y1615 WeakPolarHBondContact O-CD2 3.47Å; R1611-Y1615 PolarHBondContact O-N 3Å; R1611-Y1615 VanDerWaalsContact O-N 3.12Å |
| 1612 | C | 71.1 | Confident | 71.3 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 175 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | F1601 L1602 N1608 I1614 F1616 | F1601-C1612 PolarHBondContact O-SG 3.14Å; L1602-C1612 HydrophobicContact CD2-CB 4.38Å; N1608-C1612 PolarHBondContact O-N 3.42Å; C1612-I1614 VanDerWaalsContact C-N 3.31Å; C1612-I1614 PolarHBondContact O-N 3.02Å; C1612-F1616 PolarHBondContact O-N 3.27Å; C1612-F1616 VanDerWaalsContact O-N 3.07Å |
| 1613 | S | 73.3 | Confident | 72.1 | Confident | 75 Ų | 75 | 55.4 Ų | 55.4 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.8 | -28 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | H1609 L1610 R1611 | H1609-S1613 PolarHBondContact O-N 3.15Å; L1610-S1613 PolarHBondContact O-N 3.21Å; L1610-S1613 PolarHBondContact O-OG 3.34Å; R1611-S1613 VanDerWaalsContact C-N 3.33Å; R1611-S1613 PolarHBondContact O-N 3.42Å |
| 1614 | I | 80.4 | Confident | 73.3 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75.5 | -46 | 179 | -69.2 | 164.9 | 0 | 0 | 0 | 110.4 | I1531 L1610 R1611 C1612 | I1531-I1614 HydrophobicContact CD1-CG2 3.58Å; I1531-I1614 VanDerWaalsContact CG2-O 3.3Å; I1531-I1614 WeakPolarHBondContact CG2-O 3.29Å; L1610-I1614 VanDerWaalsContact O-CG1 3.32Å; L1610-I1614 WeakPolarHBondContact O-CG1 3.45Å; L1610-I1614 PolarHBondContact O-N 2.97Å; R1611-I1614 PolarHBondContact O-N 3.3Å; R1611-I1614 VanDerWaalsContact O-N 3.14Å; C1612-I1614 VanDerWaalsContact C-N 3.31Å; C1612-I1614 PolarHBondContact O-N 3.02Å |
| 1615 | Y | 81.3 | Confident | 74.7 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -82.7 | -21.5 | -174.2 | -74.8 | -91.1 | 0 | 0 | 0 | 114.4 | L1520 W1521 S1525 I1531 W1535 R1611 | L1520-Y1615 VanDerWaalsContact C-CE1 3.42Å; L1520-Y1615 HydrophobicContact CB-CE1 3.81Å; L1520-Y1615 PolarHBondContact O-OH 3.23Å; W1521-Y1615 VanDerWaalsContact CA-CE1 3.47Å; W1521-Y1615 HydrophobicContact CB-CD1 4.18Å; W1521-Y1615 HydrophobicContact CB-CE1 4.03Å; W1521-Y1615 HydrophobicContact CE3-CD1 4.36Å; W1521-Y1615 AromaticContact CE3-CD2 3.78Å; W1521-Y1615 HydrophobicContact CE3-CD2 3.78Å; W1521-Y1615 HydrophobicContact CE3-CE1 4.39Å; W1521-Y1615 AromaticContact CE3-CE2 3.8Å; W1521-Y1615 HydrophobicContact CE3-CE2 3.8Å; W1521-Y1615 HydrophobicContact CE3-CG 4.02Å; W1521-Y1615 HydrophobicContact CZ3-CD2 4.11Å; W1521-Y1615 HydrophobicContact CZ3-CE2 4.23Å; W1521-Y1615 VanDerWaalsContact N-CE1 3.31Å; S1525-Y1615 PolarHBondContact N-OH 3.45Å; S1525-Y1615 VanDerWaalsContact N-OH 3.09Å; S1525-Y1615 PolarHBondContact O-OH 3.18Å; I1531-Y1615 HydrophobicContact CD1-CD1 3.73Å; I1531-Y1615 HydrophobicContact CD1-CD2 4.35Å; I1531-Y1615 HydrophobicContact CD1-CE1 3.67Å; I1531-Y1615 HydrophobicContact CD1-CE2 4.32Å; I1531-Y1615 HydrophobicContact CD1-CG 4.12Å; I1531-Y1615 HydrophobicContact CG1-CD1 4.43Å; I1531-Y1615 HydrophobicContact CG1-CE1 4.47Å; W1535-Y1615 PolarHBondContact NE1-O 2.84Å; R1611-Y1615 HydrophobicContact CG-CD2 3.95Å; R1611-Y1615 HydrophobicContact CG-CE2 3.68Å; R1611-Y1615 VanDerWaalsContact O-CD2 3.29Å; R1611-Y1615 WeakPolarHBondContact O-CD2 3.47Å; R1611-Y1615 PolarHBondContact O-N 3Å; R1611-Y1615 VanDerWaalsContact O-N 3.12Å |
| 1616 | F | 84.4 | Confident | 76.3 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -126.1 | 75 | 177.9 | -157.2 | -104.5 | 0 | 0 | 0 | 110.8 | W1535 L1594 F1597 F1601 L1602 C1612 L1618 I1621 L1648 | W1535-F1616 HydrophobicContact CH2-CD2 4.12Å; W1535-F1616 AromaticContact CH2-CE2 3.8Å; W1535-F1616 HydrophobicContact CH2-CE2 3.8Å; W1535-F1616 AromaticContact CZ2-CD2 3.66Å; W1535-F1616 HydrophobicContact CZ2-CD2 3.66Å; W1535-F1616 AromaticContact CZ2-CE2 3.84Å; W1535-F1616 HydrophobicContact CZ2-CE2 3.84Å; L1594-F1616 HydrophobicContact CD2-CE2 4.45Å; L1594-F1616 HydrophobicContact CD2-CZ 4.12Å; F1597-F1616 HydrophobicContact CB-CD2 4.24Å; F1597-F1616 HydrophobicContact CB-CE2 3.85Å; F1601-F1616 HydrophobicContact CD2-CD2 4.26Å; L1602-F1616 HydrophobicContact CD1-CD1 4.13Å; L1602-F1616 HydrophobicContact CD1-CE1 4.2Å; C1612-F1616 PolarHBondContact O-N 3.27Å; C1612-F1616 VanDerWaalsContact O-N 3.07Å; F1616-L1618 VanDerWaalsContact C-N 3.32Å; F1616-L1618 HydrophobicContact CD1-CD1 4.26Å; F1616-L1618 HydrophobicContact CD1-CD2 4.02Å; F1616-L1618 HydrophobicContact CD1-CG 3.74Å; F1616-L1618 HydrophobicContact CE1-CD2 3.59Å; F1616-L1618 HydrophobicContact CE1-CG 3.88Å; F1616-L1618 PolarHBondContact O-N 2.89Å; F1616-I1621 HydrophobicContact CD2-CD1 4.4Å; F1616-I1621 HydrophobicContact CE2-CD1 4.24Å; F1616-I1621 HydrophobicContact CZ-CD1 4.31Å; F1616-L1648 HydrophobicContact CE1-CD1 4.39Å; F1616-L1648 HydrophobicContact CE1-CD2 4.29Å; F1616-L1648 HydrophobicContact CZ-CD1 4.38Å; F1616-L1648 HydrophobicContact CZ-CD2 4.09Å |
| 1617 | P | 86.2 | Confident | 77.8 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | trans | -76.1 | 79.1 | -173.9 | 33 | -36.1 | 0 | 0 | 0 | 111.5 | K1532 W1535 T1619 D1620 I1621 | K1532-P1617 HydrophobicContact CG-CB 4.2Å; K1532-P1617 HydrophobicContact CG-CG 4.22Å; W1535-P1617 HydrophobicContact CG-CG 4.19Å; P1617-T1619 VanDerWaalsContact C-N 3.31Å; P1617-T1619 PolarHBondContact O-N 3.15Å; P1617-D1620 HydrophobicContact CB-CB 4.24Å; P1617-D1620 HydrophobicContact CG-CB 4.47Å; P1617-D1620 PolarHBondContact O-N 3.36Å; P1617-I1621 WeakPolarHBondContact O-CG1 3.25Å; P1617-I1621 PolarHBondContact O-N 3.18Å | ||
| 1618 | L | 82.7 | Confident | 79.3 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -50.7 | -43 | -175.5 | -83.9 | 160.6 | 0 | 0 | 0 | 114 | F1616 D1620 I1621 I1622 N1653 I1654 A1657 | F1616-L1618 VanDerWaalsContact C-N 3.32Å; F1616-L1618 HydrophobicContact CD1-CD1 4.26Å; F1616-L1618 HydrophobicContact CD1-CD2 4.02Å; F1616-L1618 HydrophobicContact CD1-CG 3.74Å; F1616-L1618 HydrophobicContact CE1-CD2 3.59Å; F1616-L1618 HydrophobicContact CE1-CG 3.88Å; F1616-L1618 PolarHBondContact O-N 2.89Å; L1618-D1620 PolarHBondContact O-N 3.01Å; L1618-I1621 PolarHBondContact O-N 3.13Å; L1618-I1622 WeakPolarHBondContact O-CB 3.25Å; L1618-I1622 VanDerWaalsContact O-CG1 3.3Å; L1618-I1622 WeakPolarHBondContact O-CG1 3.24Å; L1618-I1622 PolarHBondContact O-N 3.32Å; L1618-N1653 HydrophobicContact CD1-CB 3.48Å; L1618-N1653 VanDerWaalsContact CD1-CB 3.48Å; L1618-I1654 HydrophobicContact CD2-CG1 4.29Å; L1618-A1657 HydrophobicContact CB-CB 4.13Å |
| 1619 | T | 84.3 | Confident | 80.6 | Confident | 34 Ų | 34 | 37 Ų | 37 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 179.4 | -43.5 | 0 | 0 | 0 | 0 | 112.3 | P1617 S1623 E1660 L1661 | P1617-T1619 VanDerWaalsContact C-N 3.31Å; P1617-T1619 PolarHBondContact O-N 3.15Å; T1619-S1623 VanDerWaalsContact O-CB 3.29Å; T1619-S1623 WeakPolarHBondContact O-CB 3.19Å; T1619-S1623 PolarHBondContact O-N 2.84Å; T1619-S1623 PolarHBondContact O-OG 3.27Å; T1619-E1660 WeakPolarHBondContact CB-OE2 3.36Å; T1619-E1660 HydrophobicContact CG2-CB 4.23Å; T1619-E1660 HydrophobicContact CG2-CG 4.18Å; T1619-E1660 VanDerWaalsContact CG2-OE2 3.3Å; T1619-E1660 WeakPolarHBondContact CG2-OE2 3.4Å; T1619-E1660 PolarHBondContact OG1-OE2 3.36Å; T1619-L1661 HydrophobicContact CG2-CD2 4.03Å; T1619-L1661 HydrophobicContact CG2-CG 4.05Å |
| 1620 | D | 83.3 | Confident | 81.5 | Confident | 26 Ų | 26 | 33.4 Ų | 33.4 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.3 | -36.5 | 176.8 | -76.4 | -74.7 | 0 | 0 | 0 | 111.6 | K1532 R1536 P1617 L1618 S1623 T1624 | K1532-D1620 WeakPolarHBondContact CD-OD2 3.32Å; K1532-D1620 VanDerWaalsContact CE-OD2 3.32Å; K1532-D1620 WeakPolarHBondContact CE-OD2 3.37Å; K1532-D1620 IonicContact NZ-OD2 2.83Å; K1532-D1620 PolarHBondContact NZ-OD2 3.48Å; R1536-D1620 IonicContact CZ-OD1 3.93Å; R1536-D1620 IonicContact NE-OD1 3.74Å; R1536-D1620 IonicContact NH2-OD1 3.34Å; R1536-D1620 PolarHBondContact NH2-OD1 3.48Å; P1617-D1620 HydrophobicContact CB-CB 4.24Å; P1617-D1620 HydrophobicContact CG-CB 4.47Å; P1617-D1620 PolarHBondContact O-N 3.36Å; L1618-D1620 PolarHBondContact O-N 3.01Å; D1620-S1623 WeakPolarHBondContact CA-OG 3.44Å; D1620-S1623 PolarHBondContact O-OG 3.42Å; D1620-T1624 WeakPolarHBondContact O-CB 3.33Å; D1620-T1624 WeakPolarHBondContact O-CG2 3.38Å; D1620-T1624 PolarHBondContact O-N 3.37Å; D1620-T1624 PolarHBondContact O-OG1 3.11Å |
| 1621 | I | 85.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.9 | -48.6 | 176.9 | -63.3 | 169.7 | 0 | 0 | 0 | 110.6 | W1535 L1539 L1594 F1616 P1617 L1618 T1624 L1625 | W1535-I1621 HydrophobicContact CD2-CD1 3.97Å; W1535-I1621 HydrophobicContact CD2-CG1 4.27Å; W1535-I1621 HydrophobicContact CE3-CD1 3.9Å; W1535-I1621 HydrophobicContact CE3-CG1 4.09Å; W1535-I1621 HydrophobicContact CH2-CD1 4.18Å; W1535-I1621 HydrophobicContact CZ2-CD1 4.25Å; W1535-I1621 HydrophobicContact CZ3-CD1 4Å; L1539-I1621 HydrophobicContact CD1-CB 4.29Å; L1539-I1621 HydrophobicContact CD1-CG1 4.21Å; L1539-I1621 HydrophobicContact CD1-CG2 4.07Å; L1594-I1621 HydrophobicContact CD2-CG2 4.05Å; F1616-I1621 HydrophobicContact CD2-CD1 4.4Å; F1616-I1621 HydrophobicContact CE2-CD1 4.24Å; F1616-I1621 HydrophobicContact CZ-CD1 4.31Å; P1617-I1621 WeakPolarHBondContact O-CG1 3.25Å; P1617-I1621 PolarHBondContact O-N 3.18Å; L1618-I1621 PolarHBondContact O-N 3.13Å; I1621-T1624 PolarHBondContact O-N 2.86Å; I1621-T1624 PolarHBondContact O-OG1 3.01Å; I1621-L1625 HydrophobicContact CG2-CD1 4.13Å; I1621-L1625 WeakPolarHBondContact O-CG 3.44Å; I1621-L1625 PolarHBondContact O-N 2.99Å |
| 1622 | I | 86.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | -178.9 | -67.9 | 167.9 | 0 | 0 | 0 | 110.5 | L1618 T1624 L1625 E1626 L1643 I1654 A1657 Y1658 L1661 | L1618-I1622 WeakPolarHBondContact O-CB 3.25Å; L1618-I1622 VanDerWaalsContact O-CG1 3.3Å; L1618-I1622 WeakPolarHBondContact O-CG1 3.24Å; L1618-I1622 PolarHBondContact O-N 3.32Å; I1622-T1624 VanDerWaalsContact C-N 3.32Å; I1622-T1624 PolarHBondContact O-N 3.38Å; I1622-L1625 PolarHBondContact O-N 3.3Å; I1622-E1626 HydrophobicContact CG2-CG 4.14Å; I1622-E1626 WeakPolarHBondContact O-CB 3.45Å; I1622-E1626 WeakPolarHBondContact O-CG 3.12Å; I1622-E1626 PolarHBondContact O-N 2.94Å; I1622-L1643 HydrophobicContact CD1-CD1 4.27Å; I1622-L1643 HydrophobicContact CG1-CD1 4.21Å; I1622-I1654 HydrophobicContact CD1-CG2 4.19Å; I1622-A1657 HydrophobicContact CD1-CB 3.71Å; I1622-Y1658 HydrophobicContact CD1-CD2 4.15Å; I1622-Y1658 HydrophobicContact CD1-CE2 4.02Å; I1622-Y1658 HydrophobicContact CG2-CD1 4.3Å; I1622-Y1658 HydrophobicContact CG2-CD2 4.32Å; I1622-Y1658 HydrophobicContact CG2-CE1 3.8Å; I1622-Y1658 HydrophobicContact CG2-CE2 3.8Å; I1622-L1661 HydrophobicContact CB-CD1 4.17Å; I1622-L1661 HydrophobicContact CG2-CD1 3.62Å |
| 1623 | S | 86.9 | Confident | 83 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | T1619 D1620 Y1627 | T1619-S1623 VanDerWaalsContact O-CB 3.29Å; T1619-S1623 WeakPolarHBondContact O-CB 3.19Å; T1619-S1623 PolarHBondContact O-N 2.84Å; T1619-S1623 PolarHBondContact O-OG 3.27Å; D1620-S1623 WeakPolarHBondContact CA-OG 3.44Å; D1620-S1623 PolarHBondContact O-OG 3.42Å; S1623-Y1627 WeakPolarHBondContact O-CB 3.34Å; S1623-Y1627 PolarHBondContact O-N 3.5Å |
| 1624 | T | 84.6 | Confident | 83.2 | Confident | 38 Ų | 38 | 36.6 Ų | 36.6 | 23% | 0.233 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -39 | 177.7 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | R1536 L1539 D1620 I1621 I1622 Y1628 | R1536-T1624 HydrophobicContact CG-CG2 4.39Å; L1539-T1624 WeakPolarHBondContact CD1-OG1 3.39Å; D1620-T1624 WeakPolarHBondContact O-CB 3.33Å; D1620-T1624 WeakPolarHBondContact O-CG2 3.38Å; D1620-T1624 PolarHBondContact O-N 3.37Å; D1620-T1624 PolarHBondContact O-OG1 3.11Å; I1621-T1624 PolarHBondContact O-N 2.86Å; I1621-T1624 PolarHBondContact O-OG1 3.01Å; I1622-T1624 VanDerWaalsContact C-N 3.32Å; I1622-T1624 PolarHBondContact O-N 3.38Å; T1624-Y1628 PolarHBondContact O-N 3.15Å; T1624-Y1628 VanDerWaalsContact O-N 3.11Å |
| 1625 | L | 85.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.5 | -43.2 | 174.9 | -69.1 | 177.9 | 0 | 0 | 0 | 112.5 | L1539 L1543 L1590 L1594 I1621 I1622 Y1627 Y1628 A1629 V1639 | L1539-L1625 HydrophobicContact CD2-CD2 4.42Å; L1543-L1625 HydrophobicContact CD1-CD2 4.42Å; L1543-L1625 HydrophobicContact CD2-CD2 4.32Å; L1590-L1625 HydrophobicContact CD1-CD2 3.8Å; L1590-L1625 HydrophobicContact CD2-CD2 3.99Å; L1594-L1625 HydrophobicContact CD1-CD1 4.48Å; I1621-L1625 HydrophobicContact CG2-CD1 4.13Å; I1621-L1625 WeakPolarHBondContact O-CG 3.44Å; I1621-L1625 PolarHBondContact O-N 2.99Å; I1622-L1625 PolarHBondContact O-N 3.3Å; L1625-Y1627 VanDerWaalsContact C-N 3.34Å; L1625-Y1628 PolarHBondContact O-N 3.1Å; L1625-A1629 WeakPolarHBondContact O-CB 3.45Å; L1625-A1629 PolarHBondContact O-N 3.45Å; L1625-V1639 HydrophobicContact CB-CG1 4.17Å; L1625-V1639 HydrophobicContact CB-CG2 4.04Å; L1625-V1639 HydrophobicContact CD1-CG1 4.37Å |
| 1626 | E | 86.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.7 | -74 | -68.1 | 179.9 | 0 | 0 | 111 | I1622 Y1628 A1629 I1630 V1639 Y1658 W1669 R1677 L1678 | I1622-E1626 HydrophobicContact CG2-CG 4.14Å; I1622-E1626 WeakPolarHBondContact O-CB 3.45Å; I1622-E1626 WeakPolarHBondContact O-CG 3.12Å; I1622-E1626 PolarHBondContact O-N 2.94Å; E1626-Y1628 VanDerWaalsContact C-N 3.31Å; E1626-Y1628 PolarHBondContact O-N 3.4Å; E1626-A1629 PolarHBondContact O-N 3.23Å; E1626-I1630 WeakPolarHBondContact O-CB 3.36Å; E1626-I1630 WeakPolarHBondContact O-CD1 3.5Å; E1626-I1630 WeakPolarHBondContact O-CG1 3.46Å; E1626-I1630 PolarHBondContact O-N 3.29Å; E1626-V1639 HydrophobicContact CG-CG2 4.11Å; E1626-V1639 WeakPolarHBondContact OE1-CB 3.41Å; E1626-Y1658 HydrophobicContact CG-CE1 4.38Å; E1626-Y1658 PolarHBondContact OE1-OH 3.36Å; E1626-W1669 HydrophobicContact CB-CH2 3.68Å; E1626-W1669 HydrophobicContact CB-CZ3 4.02Å; E1626-R1677 IonicContact OE2-CZ 2.84Å; E1626-R1677 IonicContact OE2-NE 3.86Å; E1626-R1677 PolarHBondContact OE2-NE 3.3Å; E1626-R1677 IonicContact OE2-NH2 3.08Å; E1626-R1677 PolarHBondContact OE2-NH2 2.96Å; E1626-L1678 HydrophobicContact CG-CD2 4.34Å |
| 1627 | Y | 84.7 | Confident | 82.9 | Confident | 127 Ų | 127 | 40.3 Ų | 40.3 | 50% | 0.498 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 174.5 | -175.7 | -89.4 | 0 | 0 | 0 | 111.8 | S1623 L1625 I1630 Q1631 L1668 | S1623-Y1627 WeakPolarHBondContact O-CB 3.34Å; S1623-Y1627 PolarHBondContact O-N 3.5Å; L1625-Y1627 VanDerWaalsContact C-N 3.34Å; Y1627-I1630 PolarHBondContact O-N 3.47Å; Y1627-Q1631 WeakPolarHBondContact O-CB 3.44Å; Y1627-Q1631 PolarHBondContact O-N 2.87Å; Y1627-L1668 HydrophobicContact CE2-CD1 4.4Å |
| 1628 | Y | 83.5 | Confident | 82.9 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 175.2 | -179.3 | -94.5 | 0 | 0 | 0 | 112.3 | L1543 T1624 L1625 E1626 I1630 Q1631 H1632 L1634 W1638 | L1543-Y1628 HydrophobicContact CB-CD2 3.93Å; L1543-Y1628 HydrophobicContact CB-CE2 3.86Å; L1543-Y1628 HydrophobicContact CB-CG 4.49Å; L1543-Y1628 HydrophobicContact CD1-CD2 3.96Å; L1543-Y1628 HydrophobicContact CD1-CG 3.9Å; L1543-Y1628 HydrophobicContact CD2-CD1 3.65Å; L1543-Y1628 HydrophobicContact CD2-CD2 4.05Å; L1543-Y1628 HydrophobicContact CD2-CE1 3.81Å; L1543-Y1628 HydrophobicContact CD2-CE2 4.2Å; L1543-Y1628 HydrophobicContact CD2-CG 3.78Å; L1543-Y1628 HydrophobicContact CG-CD2 4.2Å; L1543-Y1628 HydrophobicContact CG-CE2 4.46Å; L1543-Y1628 HydrophobicContact CG-CG 4.27Å; T1624-Y1628 PolarHBondContact O-N 3.15Å; T1624-Y1628 VanDerWaalsContact O-N 3.11Å; L1625-Y1628 PolarHBondContact O-N 3.1Å; E1626-Y1628 VanDerWaalsContact C-N 3.31Å; E1626-Y1628 PolarHBondContact O-N 3.4Å; Y1628-I1630 VanDerWaalsContact C-N 3.26Å; Y1628-I1630 PolarHBondContact O-N 3.33Å; Y1628-Q1631 PolarHBondContact O-N 3.4Å; Y1628-Q1631 VanDerWaalsContact O-N 3.15Å; Y1628-H1632 AromaticContact CD2-CD2 3.59Å; Y1628-H1632 AromaticContact CD2-NE2 3.89Å; Y1628-H1632 AromaticContact CE1-CD2 3.92Å; Y1628-H1632 AromaticContact CE2-CD2 3.25Å; Y1628-H1632 WeakPolarHBondContact CE2-CD2 3.37Å; Y1628-H1632 AromaticContact CE2-NE2 3.25Å; Y1628-H1632 WeakPolarHBondContact CE2-NE2 3.46Å; Y1628-H1632 AromaticContact CZ-CD2 3.43Å; Y1628-H1632 VanDerWaalsContact CZ-CD2 3.43Å; Y1628-H1632 AromaticContact CZ-CG 4Å; Y1628-H1632 AromaticContact CZ-NE2 3.66Å; Y1628-H1632 PolarHBondContact O-CD2 3.41Å; Y1628-H1632 PolarHBondContact O-N 2.95Å; Y1628-L1634 HydrophobicContact CE1-CD1 4.36Å; Y1628-W1638 HydrophobicContact CD1-CH2 4.28Å; Y1628-W1638 HydrophobicContact CD1-CZ3 4.41Å; Y1628-W1638 HydrophobicContact CE1-CH2 4.48Å |
| 1629 | A | 83.4 | Confident | 83 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1625 E1626 S1633 L1634 W1638 V1639 | L1625-A1629 WeakPolarHBondContact O-CB 3.45Å; L1625-A1629 PolarHBondContact O-N 3.45Å; E1626-A1629 PolarHBondContact O-N 3.23Å; A1629-S1633 PolarHBondContact O-N 3.03Å; A1629-S1633 VanDerWaalsContact O-N 3.12Å; A1629-L1634 HydrophobicContact CB-CB 4.15Å; A1629-L1634 HydrophobicContact CB-CD1 4.4Å; A1629-L1634 PolarHBondContact O-N 3.44Å; A1629-W1638 HydrophobicContact CB-CE3 3.88Å; A1629-W1638 HydrophobicContact CB-CZ3 4.3Å; A1629-V1639 HydrophobicContact CB-CG2 4.31Å |
| 1630 | I | 82.1 | Confident | 82.9 | Confident | 58 Ų | 58 | 38 Ų | 38 | 30% | 0.297 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.9 | -48.2 | 172.5 | -67 | 159.7 | 0 | 0 | 0 | 110.5 | E1626 Y1627 Y1628 H1632 S1633 W1669 L1674 | E1626-I1630 WeakPolarHBondContact O-CB 3.36Å; E1626-I1630 WeakPolarHBondContact O-CD1 3.5Å; E1626-I1630 WeakPolarHBondContact O-CG1 3.46Å; E1626-I1630 PolarHBondContact O-N 3.29Å; Y1627-I1630 PolarHBondContact O-N 3.47Å; Y1628-I1630 VanDerWaalsContact C-N 3.26Å; Y1628-I1630 PolarHBondContact O-N 3.33Å; I1630-H1632 PolarHBondContact O-N 2.89Å; I1630-S1633 PolarHBondContact O-N 3.45Å; I1630-W1669 HydrophobicContact CD1-CH2 4.16Å; I1630-W1669 HydrophobicContact CD1-CZ3 3.73Å; I1630-L1674 HydrophobicContact CD1-CD1 4.23Å; I1630-L1674 HydrophobicContact CD1-CD2 3.56Å; I1630-L1674 HydrophobicContact CD1-CG 4.45Å; I1630-L1674 HydrophobicContact CG1-CD2 3.74Å; I1630-L1674 HydrophobicContact CG2-CD2 4.03Å |
| 1631 | Q | 80.8 | Confident | 82.8 | Confident | 131 Ų | 131 | 38.6 Ų | 38.6 | 61% | 0.612 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.7 | -33 | -179.1 | -173.4 | 174 | -3.4 | 0 | 0 | 112.8 | Y1627 Y1628 | Y1627-Q1631 WeakPolarHBondContact O-CB 3.44Å; Y1627-Q1631 PolarHBondContact O-N 2.87Å; Y1628-Q1631 PolarHBondContact O-N 3.4Å; Y1628-Q1631 VanDerWaalsContact O-N 3.15Å |
| 1632 | H | 78.2 | Confident | 82.7 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 41% | 0.407 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 9.1 | -179.6 | -73.1 | -88.4 | 0 | 0 | 0 | 114.6 | Y1628 I1630 L1634 | Y1628-H1632 AromaticContact CD2-CD2 3.59Å; Y1628-H1632 AromaticContact CD2-NE2 3.89Å; Y1628-H1632 AromaticContact CE1-CD2 3.92Å; Y1628-H1632 AromaticContact CE2-CD2 3.25Å; Y1628-H1632 WeakPolarHBondContact CE2-CD2 3.37Å; Y1628-H1632 AromaticContact CE2-NE2 3.25Å; Y1628-H1632 WeakPolarHBondContact CE2-NE2 3.46Å; Y1628-H1632 AromaticContact CZ-CD2 3.43Å; Y1628-H1632 VanDerWaalsContact CZ-CD2 3.43Å; Y1628-H1632 AromaticContact CZ-CG 4Å; Y1628-H1632 AromaticContact CZ-NE2 3.66Å; Y1628-H1632 PolarHBondContact O-CD2 3.41Å; Y1628-H1632 PolarHBondContact O-N 2.95Å; I1630-H1632 PolarHBondContact O-N 2.89Å; H1632-L1634 HydrophobicContact CB-CD1 4.47Å; H1632-L1634 HydrophobicContact CB-CD2 4.24Å; H1632-L1634 HydrophobicContact CB-CG 4.06Å; H1632-L1634 PolarHBondContact O-N 2.96Å |
| 1633 | S | 77.5 | Confident | 82.4 | Confident | 115 Ų | 115 | 39.1 Ų | 39.1 | 80% | 0.804 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 41.2 | 178.7 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | A1629 I1630 | A1629-S1633 PolarHBondContact O-N 3.03Å; A1629-S1633 VanDerWaalsContact O-N 3.12Å; I1630-S1633 PolarHBondContact O-N 3.45Å |
| 1634 | L | 79.3 | Confident | 82 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | trans | -82.4 | 160.8 | -179.2 | -54.2 | -173.9 | 0 | 0 | 0 | 112.4 | L1583 Y1628 A1629 H1632 W1638 R1677 | L1583-L1634 HydrophobicContact CD1-CD1 4.31Å; L1583-L1634 HydrophobicContact CD1-CD2 3.53Å; Y1628-L1634 HydrophobicContact CE1-CD1 4.36Å; A1629-L1634 HydrophobicContact CB-CB 4.15Å; A1629-L1634 HydrophobicContact CB-CD1 4.4Å; A1629-L1634 PolarHBondContact O-N 3.44Å; H1632-L1634 HydrophobicContact CB-CD1 4.47Å; H1632-L1634 HydrophobicContact CB-CD2 4.24Å; H1632-L1634 HydrophobicContact CB-CG 4.06Å; H1632-L1634 PolarHBondContact O-N 2.96Å; L1634-W1638 HydrophobicContact CB-CB 4.44Å; L1634-W1638 HydrophobicContact CB-CG 4.38Å; L1634-W1638 HydrophobicContact CD1-CD2 3.78Å; L1634-W1638 HydrophobicContact CD1-CE3 4.01Å; L1634-W1638 HydrophobicContact CD1-CG 4.29Å; L1634-W1638 HydrophobicContact CD1-CH2 4.27Å; L1634-W1638 HydrophobicContact CD1-CZ2 4.04Å; L1634-W1638 HydrophobicContact CD1-CZ3 4.25Å; L1634-R1677 PolarHBondContact O-NH1 3.02Å | ||
| 1635 | N | 79.6 | Confident | 81.6 | Confident | 64 Ų | 64 | 43.3 Ų | 43.3 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | trans | -57.6 | 138.6 | -179.6 | -171.1 | -21.3 | 0 | 0 | 0 | 111 | T1637 W1638 R1677 | N1635-T1637 PolarHBondContact ND2-OG1 2.84Å; N1635-T1637 PolarHBondContact O-N 3.49Å; N1635-T1637 VanDerWaalsContact O-N 3.13Å; N1635-T1637 PolarHBondContact OD1-N 2.79Å; N1635-T1637 PolarHBondContact OD1-OG1 3.49Å; N1635-W1638 WeakPolarHBondContact O-CB 3.27Å; N1635-W1638 PolarHBondContact O-N 3.15Å; N1635-R1677 PolarHBondContact O-NH1 3.05Å; N1635-R1677 PolarHBondContact O-NH2 3.19Å | ||
| 1636 | P | 78.1 | Confident | 81 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 14% | 0.143 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -29.4 | 171.8 | 17.7 | -33.7 | 0 | 0 | 0 | 114.5 | W1638 R1677 I1680 F1751 | P1636-W1638 VanDerWaalsContact C-N 3.28Å; P1636-W1638 PolarHBondContact O-N 3.03Å; P1636-R1677 HydrophobicContact CB-CG 3.96Å; P1636-I1680 HydrophobicContact CB-CB 4.02Å; P1636-I1680 HydrophobicContact CB-CD1 3.9Å; P1636-I1680 HydrophobicContact CB-CG2 3.78Å; P1636-I1680 HydrophobicContact CG-CD1 3.87Å; P1636-I1680 HydrophobicContact CG-CG2 4.15Å; P1636-F1751 HydrophobicContact CG-CD2 4.11Å |
| 1637 | T | 80.8 | Confident | 80.2 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.4 | 179.3 | 65.8 | 0 | 0 | 0 | 0 | 114.3 | N1635 P1640 T1641 I1680 T1684 F1751 | N1635-T1637 PolarHBondContact ND2-OG1 2.84Å; N1635-T1637 PolarHBondContact O-N 3.49Å; N1635-T1637 VanDerWaalsContact O-N 3.13Å; N1635-T1637 PolarHBondContact OD1-N 2.79Å; N1635-T1637 PolarHBondContact OD1-OG1 3.49Å; T1637-P1640 WeakPolarHBondContact O-CD 3.32Å; T1637-T1641 WeakPolarHBondContact O-CG2 3.42Å; T1637-T1641 PolarHBondContact O-N 3.38Å; T1637-T1641 PolarHBondContact O-OG1 3.18Å; T1637-T1641 VanDerWaalsContact O-OG1 3.05Å; T1637-I1680 HydrophobicContact CG2-CG2 4.11Å; T1637-T1684 HydrophobicContact CG2-CG2 3.91Å; T1637-F1751 HydrophobicContact CG2-CE2 4.48Å |
| 1638 | W | 85.8 | Confident | 79.5 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -49.1 | -169.9 | -174.5 | 75.5 | 0 | 0 | 0 | 114.4 | L1583 E1587 L1590 Y1628 A1629 L1634 N1635 P1636 T1641 I1642 | L1583-W1638 HydrophobicContact CD2-CZ2 4.07Å; E1587-W1638 HydrophobicContact CG-CZ2 3.96Å; E1587-W1638 VanDerWaalsContact OE1-CD1 3.28Å; E1587-W1638 PolarHBondContact OE1-NE1 3Å; L1590-W1638 HydrophobicContact CD1-CH2 3.93Å; Y1628-W1638 HydrophobicContact CD1-CH2 4.28Å; Y1628-W1638 HydrophobicContact CD1-CZ3 4.41Å; Y1628-W1638 HydrophobicContact CE1-CH2 4.48Å; A1629-W1638 HydrophobicContact CB-CE3 3.88Å; A1629-W1638 HydrophobicContact CB-CZ3 4.3Å; L1634-W1638 HydrophobicContact CB-CB 4.44Å; L1634-W1638 HydrophobicContact CB-CG 4.38Å; L1634-W1638 HydrophobicContact CD1-CD2 3.78Å; L1634-W1638 HydrophobicContact CD1-CE3 4.01Å; L1634-W1638 HydrophobicContact CD1-CG 4.29Å; L1634-W1638 HydrophobicContact CD1-CH2 4.27Å; L1634-W1638 HydrophobicContact CD1-CZ2 4.04Å; L1634-W1638 HydrophobicContact CD1-CZ3 4.25Å; N1635-W1638 WeakPolarHBondContact O-CB 3.27Å; N1635-W1638 PolarHBondContact O-N 3.15Å; P1636-W1638 VanDerWaalsContact C-N 3.28Å; P1636-W1638 PolarHBondContact O-N 3.03Å; W1638-T1641 WeakPolarHBondContact CA-OG1 3.3Å; W1638-T1641 PolarHBondContact O-N 3.32Å; W1638-T1641 PolarHBondContact O-OG1 3.17Å; W1638-I1642 HydrophobicContact CD2-CD1 3.84Å; W1638-I1642 HydrophobicContact CE3-CD1 3.99Å; W1638-I1642 HydrophobicContact CH2-CD1 3.59Å; W1638-I1642 HydrophobicContact CZ2-CD1 3.42Å; W1638-I1642 VanDerWaalsContact CZ2-CD1 3.42Å; W1638-I1642 HydrophobicContact CZ3-CD1 3.88Å; W1638-I1642 WeakPolarHBondContact O-CG1 3.5Å; W1638-I1642 PolarHBondContact O-N 2.95Å |
| 1639 | V | 85.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | L1625 E1626 A1629 T1641 I1642 L1643 Y1658 | L1625-V1639 HydrophobicContact CB-CG1 4.17Å; L1625-V1639 HydrophobicContact CB-CG2 4.04Å; L1625-V1639 HydrophobicContact CD1-CG1 4.37Å; E1626-V1639 HydrophobicContact CG-CG2 4.11Å; E1626-V1639 WeakPolarHBondContact OE1-CB 3.41Å; A1629-V1639 HydrophobicContact CB-CG2 4.31Å; V1639-T1641 VanDerWaalsContact C-N 3.3Å; V1639-T1641 PolarHBondContact O-N 3.09Å; V1639-I1642 PolarHBondContact O-N 3.03Å; V1639-L1643 HydrophobicContact CG1-CD1 4.1Å; V1639-L1643 HydrophobicContact CG1-CG 4.43Å; V1639-L1643 WeakPolarHBondContact O-CG 3.4Å; V1639-L1643 PolarHBondContact O-N 2.91Å; V1639-Y1658 WeakPolarHBondContact CG1-OH 3.37Å |
| 1640 | P | 82.3 | Confident | 77.5 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -51.2 | -43.8 | 170.7 | -31.1 | 34 | 0 | 0 | 0 | 114.7 | T1637 L1643 R1644 A1681 T1684 I1685 | T1637-P1640 WeakPolarHBondContact O-CD 3.32Å; P1640-L1643 PolarHBondContact O-N 3.31Å; P1640-R1644 WeakPolarHBondContact O-CB 3.44Å; P1640-R1644 PolarHBondContact O-N 3.06Å; P1640-A1681 HydrophobicContact CG-CB 3.54Å; P1640-T1684 WeakPolarHBondContact CB-OG1 3.28Å; P1640-T1684 WeakPolarHBondContact CG-OG1 3.35Å; P1640-I1685 HydrophobicContact CB-CD1 4.36Å; P1640-I1685 HydrophobicContact CB-CG1 3.86Å; P1640-I1685 HydrophobicContact CG-CD1 4.34Å; P1640-I1685 HydrophobicContact CG-CG1 4.26Å |
| 1641 | T | 81.8 | Confident | 76.7 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 23% | 0.233 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | -179.5 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | T1637 W1638 V1639 L1643 R1644 D1645 | T1637-T1641 WeakPolarHBondContact O-CG2 3.42Å; T1637-T1641 PolarHBondContact O-N 3.38Å; T1637-T1641 PolarHBondContact O-OG1 3.18Å; T1637-T1641 VanDerWaalsContact O-OG1 3.05Å; W1638-T1641 WeakPolarHBondContact CA-OG1 3.3Å; W1638-T1641 PolarHBondContact O-N 3.32Å; W1638-T1641 PolarHBondContact O-OG1 3.17Å; V1639-T1641 VanDerWaalsContact C-N 3.3Å; V1639-T1641 PolarHBondContact O-N 3.09Å; T1641-L1643 PolarHBondContact O-N 3.25Å; T1641-R1644 PolarHBondContact O-N 2.89Å; T1641-D1645 WeakPolarHBondContact O-CB 3.4Å; T1641-D1645 PolarHBondContact O-N 3.12Å |
| 1642 | I | 82.7 | Confident | 76 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 176.1 | -65.5 | 170.1 | 0 | 0 | 0 | 110.7 | E1587 L1590 L1594 W1638 V1639 D1645 S1646 | E1587-I1642 HydrophobicContact CG-CD1 4.19Å; E1587-I1642 HydrophobicContact CG-CG1 4.42Å; L1590-I1642 HydrophobicContact CB-CG2 4.18Å; L1590-I1642 HydrophobicContact CD1-CD1 4.25Å; L1594-I1642 HydrophobicContact CD1-CG2 4.27Å; W1638-I1642 HydrophobicContact CD2-CD1 3.84Å; W1638-I1642 HydrophobicContact CE3-CD1 3.99Å; W1638-I1642 HydrophobicContact CH2-CD1 3.59Å; W1638-I1642 HydrophobicContact CZ2-CD1 3.42Å; W1638-I1642 VanDerWaalsContact CZ2-CD1 3.42Å; W1638-I1642 HydrophobicContact CZ3-CD1 3.88Å; W1638-I1642 WeakPolarHBondContact O-CG1 3.5Å; W1638-I1642 PolarHBondContact O-N 2.95Å; V1639-I1642 PolarHBondContact O-N 3.03Å; I1642-D1645 PolarHBondContact O-N 2.96Å; I1642-S1646 WeakPolarHBondContact O-CB 3.34Å; I1642-S1646 PolarHBondContact O-N 3.22Å; I1642-S1646 PolarHBondContact O-OG 2.73Å |
| 1643 | L | 81.1 | Confident | 75.7 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.8 | -70.4 | 174 | 0 | 0 | 0 | 111.9 | L1594 I1622 V1639 P1640 T1641 S1646 L1648 I1654 Y1658 | L1594-L1643 HydrophobicContact CD1-CD2 4.12Å; I1622-L1643 HydrophobicContact CD1-CD1 4.27Å; I1622-L1643 HydrophobicContact CG1-CD1 4.21Å; V1639-L1643 HydrophobicContact CG1-CD1 4.1Å; V1639-L1643 HydrophobicContact CG1-CG 4.43Å; V1639-L1643 WeakPolarHBondContact O-CG 3.4Å; V1639-L1643 PolarHBondContact O-N 2.91Å; P1640-L1643 PolarHBondContact O-N 3.31Å; T1641-L1643 PolarHBondContact O-N 3.25Å; L1643-S1646 PolarHBondContact O-N 3.28Å; L1643-S1646 PolarHBondContact O-OG 2.88Å; L1643-L1648 HydrophobicContact CD2-CD1 3.98Å; L1643-I1654 HydrophobicContact CB-CD1 4.5Å; L1643-I1654 HydrophobicContact CD1-CG2 3.89Å; L1643-Y1658 HydrophobicContact CD1-CE2 4.2Å |
| 1644 | R | 77.4 | Confident | 75.7 | Confident | 90 Ų | 90 | 34.1 Ų | 34.1 | 34% | 0.34 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 174.4 | 177.3 | -174.1 | 61.6 | -147.4 | -4 | 111.1 | P1640 T1641 S1646 H1647 D1688 | P1640-R1644 WeakPolarHBondContact O-CB 3.44Å; P1640-R1644 PolarHBondContact O-N 3.06Å; T1641-R1644 PolarHBondContact O-N 2.89Å; R1644-S1646 PolarHBondContact O-N 3.27Å; R1644-H1647 PolarHBondContact O-N 2.92Å; R1644-D1688 WeakPolarHBondContact CD-OD2 3.18Å; R1644-D1688 IonicContact CZ-OD2 3.06Å; R1644-D1688 IonicContact NE-OD2 2.81Å; R1644-D1688 VanDerWaalsContact NH1-CG 3.34Å; R1644-D1688 IonicContact NH1-OD1 2.83Å; R1644-D1688 PolarHBondContact NH1-OD1 3.4Å; R1644-D1688 VanDerWaalsContact NH1-OD1 3.08Å; R1644-D1688 IonicContact NH1-OD2 2.65Å; R1644-D1688 PolarHBondContact NH1-OD2 3.01Å |
| 1645 | D | 76.4 | Confident | 75.6 | Confident | 60 Ų | 60 | 32.8 Ų | 32.8 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -73.6 | -17.9 | -172.2 | -59.1 | -11.5 | 0 | 0 | 0 | 111 | Q1591 T1641 I1642 H1647 | Q1591-D1645 HydrophobicContact CG-CB 4.22Å; Q1591-D1645 VanDerWaalsContact NE2-C 3.34Å; Q1591-D1645 PolarHBondContact NE2-O 3.49Å; T1641-D1645 WeakPolarHBondContact O-CB 3.4Å; T1641-D1645 PolarHBondContact O-N 3.12Å; I1642-D1645 PolarHBondContact O-N 2.96Å; D1645-H1647 VanDerWaalsContact C-N 3.27Å; D1645-H1647 PolarHBondContact O-N 3.24Å |
| 1646 | S | 74.3 | Confident | 75.6 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3 | 172.4 | 70.9 | 0 | 0 | 0 | 0 | 115.2 | S1595 I1642 L1643 R1644 L1648 | S1595-S1646 WeakPolarHBondContact CB-O 3.39Å; I1642-S1646 WeakPolarHBondContact O-CB 3.34Å; I1642-S1646 PolarHBondContact O-N 3.22Å; I1642-S1646 PolarHBondContact O-OG 2.73Å; L1643-S1646 PolarHBondContact O-N 3.28Å; L1643-S1646 PolarHBondContact O-OG 2.88Å; R1644-S1646 PolarHBondContact O-N 3.27Å; S1646-L1648 VanDerWaalsContact C-N 3.29Å; S1646-L1648 PolarHBondContact O-N 2.75Å; S1646-L1648 WeakPolarHBondContact OG-CD1 3.46Å; S1646-L1648 WeakPolarHBondContact OG-CG 3.17Å |
| 1647 | H | 69.9 | Low | 75.8 | Confident | 143 Ų | 143 | 31.8 Ų | 31.8 | 66% | 0.662 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 30.8 | 176.6 | -59.2 | -59.7 | 0 | 0 | 0 | 116 | R1644 D1645 L1649 | R1644-H1647 PolarHBondContact O-N 2.92Å; D1645-H1647 VanDerWaalsContact C-N 3.27Å; D1645-H1647 PolarHBondContact O-N 3.24Å; H1647-L1649 PolarHBondContact O-N 3.05Å |
| 1648 | L | 69.6 | Low | 76 | Confident | 22 Ų | 22 | 30.2 Ų | 30.2 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | trans | -64.7 | 118.8 | 177.6 | -66.6 | 168 | 0 | 0 | 0 | 111.4 | L1602 F1616 L1643 S1646 C1650 I1654 | L1602-L1648 HydrophobicContact CD1-CD2 4.06Å; F1616-L1648 HydrophobicContact CE1-CD1 4.39Å; F1616-L1648 HydrophobicContact CE1-CD2 4.29Å; F1616-L1648 HydrophobicContact CZ-CD1 4.38Å; F1616-L1648 HydrophobicContact CZ-CD2 4.09Å; L1643-L1648 HydrophobicContact CD2-CD1 3.98Å; S1646-L1648 VanDerWaalsContact C-N 3.29Å; S1646-L1648 PolarHBondContact O-N 2.75Å; S1646-L1648 WeakPolarHBondContact OG-CD1 3.46Å; S1646-L1648 WeakPolarHBondContact OG-CG 3.17Å; L1648-C1650 PolarHBondContact O-N 3.23Å; L1648-I1654 HydrophobicContact CB-CD1 4.41Å | ||
| 1649 | L | 59.6 | Low | 75.8 | Confident | 67 Ų | 67 | 31 Ų | 31 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -68.9 | -0.4 | -169.2 | -79.3 | 149.3 | 0 | 0 | 0 | 116.2 | H1647 I1695 | H1647-L1649 PolarHBondContact O-N 3.05Å; L1649-I1695 HydrophobicContact CD2-CG2 4.47Å |
| 1650 | C | 64.3 | Low | 75.7 | Confident | 35 Ų | 35 | 36.7 Ų | 36.7 | 24% | 0.236 | 18% | 0.184 | C | C | . | . | trans | -131.7 | 77.4 | -172.6 | -76.2 | 0 | 0 | 0 | 0 | 113 | L1648 S1652 N1653 | L1648-C1650 PolarHBondContact O-N 3.23Å; C1650-S1652 PolarHBondContact O-N 2.58Å; C1650-S1652 VanDerWaalsContact O-N 3.15Å; C1650-N1653 HydrophobicContact CB-CB 4.46Å; C1650-N1653 PolarHBondContact O-N 3.44Å; C1650-N1653 VanDerWaalsContact O-N 3.12Å | ||
| 1651 | I | 65.3 | Low | 75.6 | Confident | 28 Ų | 28 | 37 Ų | 37 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.2 | -31.2 | 176.2 | -156.5 | 109.6 | 0 | 0 | 0 | 112.7 | N1653 I1654 S1655 I1685 F1689 I1709 | I1651-N1653 VanDerWaalsContact C-N 3.29Å; I1651-N1653 PolarHBondContact O-N 3.45Å; I1651-I1654 PolarHBondContact O-N 3.15Å; I1651-S1655 PolarHBondContact O-N 3.46Å; I1651-I1685 HydrophobicContact CD1-CG2 3.65Å; I1651-I1685 HydrophobicContact CG1-CG2 3.76Å; I1651-F1689 HydrophobicContact CB-CD2 4.17Å; I1651-F1689 HydrophobicContact CD1-CB 3.75Å; I1651-F1689 HydrophobicContact CD1-CD2 4.29Å; I1651-F1689 HydrophobicContact CD1-CG 4.38Å; I1651-F1689 HydrophobicContact CG1-CB 4.08Å; I1651-F1689 HydrophobicContact CG1-CD2 4.29Å; I1651-F1689 HydrophobicContact CG1-CG 4.35Å; I1651-F1689 HydrophobicContact CG2-CD2 3.59Å; I1651-F1689 HydrophobicContact CG2-CE2 3.7Å; I1651-F1689 HydrophobicContact CG2-CG 4.1Å; I1651-F1689 HydrophobicContact CG2-CZ 4.31Å; I1651-I1709 HydrophobicContact CG2-CD1 3.82Å |
| 1652 | S | 66.5 | Low | 75.6 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 112 | C1650 I1654 S1655 D1656 | C1650-S1652 PolarHBondContact O-N 2.58Å; C1650-S1652 VanDerWaalsContact O-N 3.15Å; S1652-I1654 VanDerWaalsContact C-N 3.29Å; S1652-I1654 PolarHBondContact O-N 3.37Å; S1652-S1655 PolarHBondContact O-N 3.12Å; S1652-S1655 PolarHBondContact O-OG 2.91Å; S1652-D1656 WeakPolarHBondContact O-CB 3.43Å; S1652-D1656 PolarHBondContact O-N 2.95Å |
| 1653 | N | 72.8 | Confident | 75.3 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.1 | -25.9 | -178 | -57.5 | -3 | 0 | 0 | 0 | 111.1 | L1618 C1650 I1651 A1657 | L1618-N1653 HydrophobicContact CD1-CB 3.48Å; L1618-N1653 VanDerWaalsContact CD1-CB 3.48Å; C1650-N1653 HydrophobicContact CB-CB 4.46Å; C1650-N1653 PolarHBondContact O-N 3.44Å; C1650-N1653 VanDerWaalsContact O-N 3.12Å; I1651-N1653 VanDerWaalsContact C-N 3.29Å; I1651-N1653 PolarHBondContact O-N 3.45Å; N1653-A1657 WeakPolarHBondContact O-CB 3.45Å; N1653-A1657 PolarHBondContact O-N 3.18Å; N1653-A1657 VanDerWaalsContact O-N 3.13Å |
| 1654 | I | 77 | Confident | 75.3 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.1 | -43.8 | 174.8 | -60.5 | 173 | 0 | 0 | 0 | 109.8 | L1618 I1622 L1643 L1648 I1651 S1652 A1657 Y1658 I1685 | L1618-I1654 HydrophobicContact CD2-CG1 4.29Å; I1622-I1654 HydrophobicContact CD1-CG2 4.19Å; L1643-I1654 HydrophobicContact CB-CD1 4.5Å; L1643-I1654 HydrophobicContact CD1-CG2 3.89Å; L1648-I1654 HydrophobicContact CB-CD1 4.41Å; I1651-I1654 PolarHBondContact O-N 3.15Å; S1652-I1654 VanDerWaalsContact C-N 3.29Å; S1652-I1654 PolarHBondContact O-N 3.37Å; I1654-A1657 PolarHBondContact O-N 3.4Å; I1654-Y1658 HydrophobicContact CG2-CD2 3.97Å; I1654-Y1658 HydrophobicContact CG2-CE2 4.06Å; I1654-Y1658 WeakPolarHBondContact O-CD2 3.28Å; I1654-Y1658 PolarHBondContact O-N 2.88Å; I1654-I1685 HydrophobicContact CG2-CD1 3.7Å; I1654-I1685 HydrophobicContact CG2-CG2 4.29Å |
| 1655 | S | 77.9 | Confident | 75 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.2 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | I1651 S1652 A1657 Y1658 N1659 Q1712 | I1651-S1655 PolarHBondContact O-N 3.46Å; S1652-S1655 PolarHBondContact O-N 3.12Å; S1652-S1655 PolarHBondContact O-OG 2.91Å; S1655-A1657 VanDerWaalsContact C-N 3.34Å; S1655-A1657 PolarHBondContact O-N 2.8Å; S1655-Y1658 PolarHBondContact O-N 2.91Å; S1655-N1659 VanDerWaalsContact O-CB 3.28Å; S1655-N1659 WeakPolarHBondContact O-CB 3.43Å; S1655-N1659 PolarHBondContact O-N 2.96Å; S1655-Q1712 PolarHBondContact OG-OE1 3.43Å |
| 1656 | D | 79 | Confident | 74.9 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.3 | -47.4 | 172.3 | -66.5 | -17.8 | 0 | 0 | 0 | 111.4 | S1652 N1659 E1660 Q1712 | S1652-D1656 WeakPolarHBondContact O-CB 3.43Å; S1652-D1656 PolarHBondContact O-N 2.95Å; D1656-N1659 WeakPolarHBondContact O-CB 3.35Å; D1656-N1659 PolarHBondContact O-N 3.24Å; D1656-E1660 WeakPolarHBondContact O-CB 3.33Å; D1656-E1660 PolarHBondContact O-N 2.72Å; D1656-Q1712 PolarHBondContact OD1-NE2 3.17Å |
| 1657 | A | 81.8 | Confident | 74.8 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L1618 I1622 N1653 I1654 S1655 N1659 E1660 L1661 | L1618-A1657 HydrophobicContact CB-CB 4.13Å; I1622-A1657 HydrophobicContact CD1-CB 3.71Å; N1653-A1657 WeakPolarHBondContact O-CB 3.45Å; N1653-A1657 PolarHBondContact O-N 3.18Å; N1653-A1657 VanDerWaalsContact O-N 3.13Å; I1654-A1657 PolarHBondContact O-N 3.4Å; S1655-A1657 VanDerWaalsContact C-N 3.34Å; S1655-A1657 PolarHBondContact O-N 2.8Å; A1657-N1659 VanDerWaalsContact C-N 3.34Å; A1657-E1660 PolarHBondContact O-N 3.44Å; A1657-L1661 WeakPolarHBondContact O-CG 3.41Å; A1657-L1661 PolarHBondContact O-N 2.96Å |
| 1658 | Y | 84.4 | Confident | 75 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 173.3 | -89.3 | -76.1 | 0 | 0 | 0 | 111.8 | I1622 E1626 V1639 L1643 I1654 S1655 L1661 I1662 L1678 A1681 I1685 | I1622-Y1658 HydrophobicContact CD1-CD2 4.15Å; I1622-Y1658 HydrophobicContact CD1-CE2 4.02Å; I1622-Y1658 HydrophobicContact CG2-CD1 4.3Å; I1622-Y1658 HydrophobicContact CG2-CD2 4.32Å; I1622-Y1658 HydrophobicContact CG2-CE1 3.8Å; I1622-Y1658 HydrophobicContact CG2-CE2 3.8Å; E1626-Y1658 HydrophobicContact CG-CE1 4.38Å; E1626-Y1658 PolarHBondContact OE1-OH 3.36Å; V1639-Y1658 WeakPolarHBondContact CG1-OH 3.37Å; L1643-Y1658 HydrophobicContact CD1-CE2 4.2Å; I1654-Y1658 HydrophobicContact CG2-CD2 3.97Å; I1654-Y1658 HydrophobicContact CG2-CE2 4.06Å; I1654-Y1658 WeakPolarHBondContact O-CD2 3.28Å; I1654-Y1658 PolarHBondContact O-N 2.88Å; S1655-Y1658 PolarHBondContact O-N 2.91Å; Y1658-L1661 PolarHBondContact O-N 3.3Å; Y1658-I1662 VanDerWaalsContact O-CG1 3.28Å; Y1658-I1662 WeakPolarHBondContact O-CG1 3.38Å; Y1658-I1662 PolarHBondContact O-N 2.96Å; Y1658-L1678 HydrophobicContact CD1-CD2 4.03Å; Y1658-L1678 HydrophobicContact CE1-CD2 3.95Å; Y1658-A1681 HydrophobicContact CD1-CB 4.41Å; Y1658-A1681 HydrophobicContact CE1-CB 3.68Å; Y1658-I1685 HydrophobicContact CD2-CD1 3.59Å; Y1658-I1685 HydrophobicContact CE2-CD1 3.23Å |
| 1659 | N | 82.3 | Confident | 75.5 | Confident | 31 Ų | 31 | 47 Ų | 47 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.6 | -162.1 | 44.9 | 0 | 0 | 0 | 111.3 | S1655 D1656 A1657 L1661 I1662 H1663 | S1655-N1659 VanDerWaalsContact O-CB 3.28Å; S1655-N1659 WeakPolarHBondContact O-CB 3.43Å; S1655-N1659 PolarHBondContact O-N 2.96Å; D1656-N1659 WeakPolarHBondContact O-CB 3.35Å; D1656-N1659 PolarHBondContact O-N 3.24Å; A1657-N1659 VanDerWaalsContact C-N 3.34Å; N1659-L1661 VanDerWaalsContact C-N 3.3Å; N1659-L1661 PolarHBondContact O-N 3.35Å; N1659-I1662 PolarHBondContact O-N 2.77Å; N1659-H1663 PolarHBondContact O-CD2 3.45Å; N1659-H1663 PolarHBondContact O-N 3.15Å; N1659-H1663 VanDerWaalsContact O-N 3.1Å; N1659-H1663 PolarHBondContact OD1-CD2 2.9Å; N1659-H1663 PolarHBondContact OD1-NE2 3.47Å |
| 1660 | E | 82.7 | Confident | 76.2 | Confident | 118 Ų | 118 | 51.3 Ų | 51.3 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.4 | -38.8 | 173.9 | -166.9 | -176.8 | 178.4 | 0 | 0 | 111.9 | T1619 D1656 A1657 H1663 S1664 | T1619-E1660 WeakPolarHBondContact CB-OE2 3.36Å; T1619-E1660 HydrophobicContact CG2-CB 4.23Å; T1619-E1660 HydrophobicContact CG2-CG 4.18Å; T1619-E1660 VanDerWaalsContact CG2-OE2 3.3Å; T1619-E1660 WeakPolarHBondContact CG2-OE2 3.4Å; T1619-E1660 PolarHBondContact OG1-OE2 3.36Å; D1656-E1660 WeakPolarHBondContact O-CB 3.33Å; D1656-E1660 PolarHBondContact O-N 2.72Å; A1657-E1660 PolarHBondContact O-N 3.44Å; E1660-H1663 CarbonylContact O-C 3.53Å; E1660-S1664 PolarHBondContact O-N 2.79Å |
| 1661 | L | 81.8 | Confident | 76.6 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.9 | -41.7 | 176.4 | -71.3 | 171.3 | 0 | 0 | 0 | 113 | T1619 I1622 A1657 Y1658 N1659 H1663 S1664 | T1619-L1661 HydrophobicContact CG2-CD2 4.03Å; T1619-L1661 HydrophobicContact CG2-CG 4.05Å; I1622-L1661 HydrophobicContact CB-CD1 4.17Å; I1622-L1661 HydrophobicContact CG2-CD1 3.62Å; A1657-L1661 WeakPolarHBondContact O-CG 3.41Å; A1657-L1661 PolarHBondContact O-N 2.96Å; Y1658-L1661 PolarHBondContact O-N 3.3Å; N1659-L1661 VanDerWaalsContact C-N 3.3Å; N1659-L1661 PolarHBondContact O-N 3.35Å; L1661-H1663 VanDerWaalsContact C-N 3.28Å; L1661-H1663 PolarHBondContact O-N 3.36Å; L1661-S1664 VanDerWaalsContact O-CB 3.27Å; L1661-S1664 WeakPolarHBondContact O-CB 3.48Å; L1661-S1664 PolarHBondContact O-N 3.35Å; L1661-S1664 VanDerWaalsContact O-N 3.15Å; L1661-S1664 PolarHBondContact O-OG 3.47Å |
| 1662 | I | 80.1 | Confident | 76.8 | Confident | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 177 | -69.6 | 164.6 | 0 | 0 | 0 | 110.8 | Y1658 N1659 L1678 F1679 L1682 L1716 | Y1658-I1662 VanDerWaalsContact O-CG1 3.28Å; Y1658-I1662 WeakPolarHBondContact O-CG1 3.38Å; Y1658-I1662 PolarHBondContact O-N 2.96Å; N1659-I1662 PolarHBondContact O-N 2.77Å; I1662-L1678 HydrophobicContact CG1-CB 4.01Å; I1662-L1678 HydrophobicContact CG1-CD1 4.17Å; I1662-F1679 HydrophobicContact CD1-CD1 4.34Å; I1662-F1679 HydrophobicContact CD1-CE1 4.18Å; I1662-F1679 HydrophobicContact CG2-CE1 4.5Å; I1662-F1679 HydrophobicContact CG2-CZ 4.1Å; I1662-L1682 HydrophobicContact CD1-CD2 3.94Å; I1662-L1716 HydrophobicContact CG2-CD2 3.99Å |
| 1663 | H | 78.3 | Confident | 77 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 5.5 | 178.1 | -64.3 | -61.9 | 0 | 0 | 0 | 114.4 | N1659 E1660 L1661 D1719 | N1659-H1663 PolarHBondContact O-CD2 3.45Å; N1659-H1663 PolarHBondContact O-N 3.15Å; N1659-H1663 VanDerWaalsContact O-N 3.1Å; N1659-H1663 PolarHBondContact OD1-CD2 2.9Å; N1659-H1663 PolarHBondContact OD1-NE2 3.47Å; E1660-H1663 CarbonylContact O-C 3.53Å; L1661-H1663 VanDerWaalsContact C-N 3.28Å; L1661-H1663 PolarHBondContact O-N 3.36Å; H1663-D1719 IonicContact CE1-OD2 3.78Å; H1663-D1719 PolarHBondContact CE1-OD2 3.01Å; H1663-D1719 IonicContact NE2-OD2 3.21Å |
| 1664 | S | 79.6 | Confident | 77.2 | Confident | 27 Ų | 27 | 67 Ų | 67 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | trans | -63.6 | 148.5 | -177.6 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | E1660 L1661 D1666 W1669 | E1660-S1664 PolarHBondContact O-N 2.79Å; L1661-S1664 VanDerWaalsContact O-CB 3.27Å; L1661-S1664 WeakPolarHBondContact O-CB 3.48Å; L1661-S1664 PolarHBondContact O-N 3.35Å; L1661-S1664 VanDerWaalsContact O-N 3.15Å; L1661-S1664 PolarHBondContact O-OG 3.47Å; S1664-D1666 PolarHBondContact O-N 3.03Å; S1664-W1669 VanDerWaalsContact OG-CD1 3.24Å | ||
| 1665 | K | 71.9 | Confident | 77.2 | Confident | 192 Ų | 192 | 68.5 Ų | 68.5 | 84% | 0.835 | 33% | 0.328 | S | S | * | . | trans | -80.7 | -0 | 177.1 | -68.1 | -176 | -179.2 | 177.6 | 0 | 113.2 | ||||
| 1666 | D | 74.5 | Confident | 77.1 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | trans | -72.9 | 136.4 | -177.2 | -154 | -19.2 | 0 | 0 | 0 | 110.8 | S1664 L1668 W1669 | S1664-D1666 PolarHBondContact O-N 3.03Å; D1666-L1668 PolarHBondContact O-N 3.32Å; D1666-W1669 PolarHBondContact O-N 2.98Å | ||
| 1667 | S | 72.2 | Confident | 77.3 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.3 | -175.4 | 64.1 | 0 | 0 | 0 | 0 | 113 | ||
| 1668 | L | 74.5 | Confident | 77.3 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -50.2 | 178.8 | -72.1 | 170.2 | 0 | 0 | 0 | 111.7 | Y1627 D1666 R1670 R1671 L1674 | Y1627-L1668 HydrophobicContact CE2-CD1 4.4Å; D1666-L1668 PolarHBondContact O-N 3.32Å; L1668-R1670 VanDerWaalsContact C-N 3.26Å; L1668-R1670 PolarHBondContact O-N 3.24Å; L1668-R1671 PolarHBondContact O-N 3.34Å; L1668-L1674 WeakPolarHBondContact O-CD1 3.3Å |
| 1669 | W | 79.3 | Confident | 77.2 | Confident | 20 Ų | 20 | 70 Ų | 70 | 8% | 0.076 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.5 | -174.2 | -55.7 | 116.3 | 0 | 0 | 0 | 114.3 | E1626 I1630 S1664 D1666 Q1675 L1678 | E1626-W1669 HydrophobicContact CB-CH2 3.68Å; E1626-W1669 HydrophobicContact CB-CZ3 4.02Å; I1630-W1669 HydrophobicContact CD1-CH2 4.16Å; I1630-W1669 HydrophobicContact CD1-CZ3 3.73Å; S1664-W1669 VanDerWaalsContact OG-CD1 3.24Å; D1666-W1669 PolarHBondContact O-N 2.98Å; W1669-Q1675 WeakPolarHBondContact O-CG 3.15Å; W1669-L1678 HydrophobicContact CE3-CD1 3.88Å; W1669-L1678 HydrophobicContact CE3-CD2 4.39Å; W1669-L1678 HydrophobicContact CE3-CG 4.42Å; W1669-L1678 HydrophobicContact CZ3-CD2 4.27Å |
| 1670 | R | 73.3 | Confident | 77.1 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 59% | 0.592 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.1 | 176.5 | -73.3 | -171.5 | 180 | -171.4 | -3 | 115 | L1668 | L1668-R1670 VanDerWaalsContact C-N 3.26Å; L1668-R1670 PolarHBondContact O-N 3.24Å |
| 1671 | R | 74.4 | Confident | 77.1 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -70.2 | 131.2 | 177.1 | -66.8 | -178.5 | 176.3 | -179.1 | -0.5 | 109.6 | L1668 E1673 L1674 Q1675 | L1668-R1671 PolarHBondContact O-N 3.34Å; R1671-E1673 VanDerWaalsContact C-N 3.26Å; R1671-E1673 PolarHBondContact O-N 3.18Å; R1671-E1673 VanDerWaalsContact O-N 3.17Å; R1671-L1674 HydrophobicContact CB-CB 4.48Å; R1671-L1674 HydrophobicContact CB-CD1 4.42Å; R1671-L1674 HydrophobicContact CB-CG 4.38Å; R1671-L1674 PolarHBondContact O-N 2.66Å; R1671-Q1675 PolarHBondContact O-N 2.89Å |
| 1672 | D | 69.2 | Low | 77.1 | Confident | 108 Ų | 108 | 63.3 Ų | 63.3 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -51.5 | -43.3 | -176 | -70.6 | -26.2 | 0 | 0 | 0 | 112.9 | L1674 Q1675 E1676 | D1672-L1674 VanDerWaalsContact C-N 3.26Å; D1672-L1674 PolarHBondContact O-N 3.33Å; D1672-Q1675 PolarHBondContact O-N 2.99Å; D1672-E1676 WeakPolarHBondContact O-CG 3.08Å; D1672-E1676 PolarHBondContact O-N 3.4Å |
| 1673 | E | 69.6 | Low | 77.2 | Confident | 144 Ų | 144 | 63.7 Ų | 63.7 | 67% | 0.673 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.9 | -30 | 179.4 | -60.9 | 179.5 | 168.8 | 0 | 0 | 113.2 | R1671 R1677 | R1671-E1673 VanDerWaalsContact C-N 3.26Å; R1671-E1673 PolarHBondContact O-N 3.18Å; R1671-E1673 VanDerWaalsContact O-N 3.17Å; E1673-R1677 PolarHBondContact O-N 3.01Å |
| 1674 | L | 76.7 | Confident | 77.4 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -88.5 | -33.8 | 178.7 | -63.8 | -177.2 | 0 | 0 | 0 | 111.9 | I1630 L1668 R1671 D1672 E1676 R1677 L1678 | I1630-L1674 HydrophobicContact CD1-CD1 4.23Å; I1630-L1674 HydrophobicContact CD1-CD2 3.56Å; I1630-L1674 HydrophobicContact CD1-CG 4.45Å; I1630-L1674 HydrophobicContact CG1-CD2 3.74Å; I1630-L1674 HydrophobicContact CG2-CD2 4.03Å; L1668-L1674 WeakPolarHBondContact O-CD1 3.3Å; R1671-L1674 HydrophobicContact CB-CB 4.48Å; R1671-L1674 HydrophobicContact CB-CD1 4.42Å; R1671-L1674 HydrophobicContact CB-CG 4.38Å; R1671-L1674 PolarHBondContact O-N 2.66Å; D1672-L1674 VanDerWaalsContact C-N 3.26Å; D1672-L1674 PolarHBondContact O-N 3.33Å; L1674-E1676 VanDerWaalsContact C-N 3.33Å; L1674-R1677 WeakPolarHBondContact O-CB 3.49Å; L1674-R1677 PolarHBondContact O-N 3.15Å; L1674-L1678 WeakPolarHBondContact O-CG 3.36Å; L1674-L1678 PolarHBondContact O-N 3.13Å |
| 1675 | Q | 78 | Confident | 77.3 | Confident | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 170.1 | -75 | -161.6 | -24.1 | 0 | 0 | 111.1 | W1669 R1671 D1672 R1677 L1678 F1679 | W1669-Q1675 WeakPolarHBondContact O-CG 3.15Å; R1671-Q1675 PolarHBondContact O-N 2.89Å; D1672-Q1675 PolarHBondContact O-N 2.99Å; Q1675-R1677 VanDerWaalsContact C-N 3.28Å; Q1675-R1677 PolarHBondContact O-N 3.36Å; Q1675-L1678 PolarHBondContact O-N 2.73Å; Q1675-L1678 VanDerWaalsContact O-N 3.15Å; Q1675-F1679 HydrophobicContact CB-CD2 4.39Å; Q1675-F1679 HydrophobicContact CB-CE2 4.26Å; Q1675-F1679 WeakPolarHBondContact O-CD2 3.44Å; Q1675-F1679 PolarHBondContact O-N 2.68Å |
| 1676 | E | 75.1 | Confident | 77.7 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56 | -43.6 | 173.9 | -76.1 | -178.5 | -171.2 | 0 | 0 | 111.6 | D1672 L1674 F1679 I1680 | D1672-E1676 WeakPolarHBondContact O-CG 3.08Å; D1672-E1676 PolarHBondContact O-N 3.4Å; L1674-E1676 VanDerWaalsContact C-N 3.33Å; E1676-F1679 PolarHBondContact O-N 3.16Å; E1676-I1680 VanDerWaalsContact O-CG1 3.29Å; E1676-I1680 WeakPolarHBondContact O-CG1 3.41Å; E1676-I1680 PolarHBondContact O-N 3.48Å |
| 1677 | R | 82.8 | Confident | 78 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 174.7 | 176.8 | -179.6 | -178.2 | 85 | 17 | 112.2 | E1626 L1634 N1635 P1636 E1673 L1674 Q1675 I1680 A1681 | E1626-R1677 IonicContact OE2-CZ 2.84Å; E1626-R1677 IonicContact OE2-NE 3.86Å; E1626-R1677 PolarHBondContact OE2-NE 3.3Å; E1626-R1677 IonicContact OE2-NH2 3.08Å; E1626-R1677 PolarHBondContact OE2-NH2 2.96Å; L1634-R1677 PolarHBondContact O-NH1 3.02Å; N1635-R1677 PolarHBondContact O-NH1 3.05Å; N1635-R1677 PolarHBondContact O-NH2 3.19Å; P1636-R1677 HydrophobicContact CB-CG 3.96Å; E1673-R1677 PolarHBondContact O-N 3.01Å; L1674-R1677 WeakPolarHBondContact O-CB 3.49Å; L1674-R1677 PolarHBondContact O-N 3.15Å; Q1675-R1677 VanDerWaalsContact C-N 3.28Å; Q1675-R1677 PolarHBondContact O-N 3.36Å; R1677-I1680 WeakPolarHBondContact O-CB 3.08Å; R1677-I1680 PolarHBondContact O-N 3.35Å; R1677-A1681 PolarHBondContact O-N 3.41Å |
| 1678 | L | 82.2 | Confident | 78.1 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 179.6 | -67.6 | 175.9 | 0 | 0 | 0 | 112.1 | E1626 Y1658 I1662 W1669 L1674 Q1675 A1681 L1682 | E1626-L1678 HydrophobicContact CG-CD2 4.34Å; Y1658-L1678 HydrophobicContact CD1-CD2 4.03Å; Y1658-L1678 HydrophobicContact CE1-CD2 3.95Å; I1662-L1678 HydrophobicContact CG1-CB 4.01Å; I1662-L1678 HydrophobicContact CG1-CD1 4.17Å; W1669-L1678 HydrophobicContact CE3-CD1 3.88Å; W1669-L1678 HydrophobicContact CE3-CD2 4.39Å; W1669-L1678 HydrophobicContact CE3-CG 4.42Å; W1669-L1678 HydrophobicContact CZ3-CD2 4.27Å; L1674-L1678 WeakPolarHBondContact O-CG 3.36Å; L1674-L1678 PolarHBondContact O-N 3.13Å; Q1675-L1678 PolarHBondContact O-N 2.73Å; Q1675-L1678 VanDerWaalsContact O-N 3.15Å; L1678-A1681 PolarHBondContact O-N 2.7Å; L1678-L1682 WeakPolarHBondContact O-CB 3.29Å; L1678-L1682 PolarHBondContact O-N 3.48Å |
| 1679 | F | 82 | Confident | 78.2 | Confident | 12 Ų | 12 | 44 Ų | 44 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 174.7 | -78.2 | -62.5 | 0 | 0 | 0 | 112.1 | I1662 Q1675 E1676 A1681 L1682 I1683 L1716 L1720 W1759 | I1662-F1679 HydrophobicContact CD1-CD1 4.34Å; I1662-F1679 HydrophobicContact CD1-CE1 4.18Å; I1662-F1679 HydrophobicContact CG2-CE1 4.5Å; I1662-F1679 HydrophobicContact CG2-CZ 4.1Å; Q1675-F1679 HydrophobicContact CB-CD2 4.39Å; Q1675-F1679 HydrophobicContact CB-CE2 4.26Å; Q1675-F1679 WeakPolarHBondContact O-CD2 3.44Å; Q1675-F1679 PolarHBondContact O-N 2.68Å; E1676-F1679 PolarHBondContact O-N 3.16Å; F1679-A1681 VanDerWaalsContact C-N 3.32Å; F1679-A1681 PolarHBondContact O-N 2.96Å; F1679-L1682 PolarHBondContact O-N 2.75Å; F1679-I1683 WeakPolarHBondContact O-CB 3.39Å; F1679-I1683 VanDerWaalsContact O-CG1 3.31Å; F1679-I1683 WeakPolarHBondContact O-CG1 3.38Å; F1679-I1683 PolarHBondContact O-N 3.23Å; F1679-L1716 HydrophobicContact CE1-CD2 4.23Å; F1679-L1720 HydrophobicContact CE1-CD1 3.88Å; F1679-L1720 HydrophobicContact CE2-CD2 4.17Å; F1679-L1720 HydrophobicContact CZ-CD1 3.93Å; F1679-L1720 HydrophobicContact CZ-CD2 3.9Å; F1679-L1720 HydrophobicContact CZ-CG 4.18Å; F1679-W1759 HydrophobicContact CB-CD2 4.49Å; F1679-W1759 HydrophobicContact CB-CE3 4.33Å |
| 1680 | I | 81 | Confident | 78 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -50.9 | 172.4 | -68.7 | 161.3 | 0 | 0 | 0 | 109.7 | P1636 T1637 E1676 R1677 L1682 I1683 T1684 W1759 | P1636-I1680 HydrophobicContact CB-CB 4.02Å; P1636-I1680 HydrophobicContact CB-CD1 3.9Å; P1636-I1680 HydrophobicContact CB-CG2 3.78Å; P1636-I1680 HydrophobicContact CG-CD1 3.87Å; P1636-I1680 HydrophobicContact CG-CG2 4.15Å; T1637-I1680 HydrophobicContact CG2-CG2 4.11Å; E1676-I1680 VanDerWaalsContact O-CG1 3.29Å; E1676-I1680 WeakPolarHBondContact O-CG1 3.41Å; E1676-I1680 PolarHBondContact O-N 3.48Å; R1677-I1680 WeakPolarHBondContact O-CB 3.08Å; R1677-I1680 PolarHBondContact O-N 3.35Å; I1680-L1682 PolarHBondContact O-N 3.35Å; I1680-I1683 PolarHBondContact O-N 3.26Å; I1680-T1684 HydrophobicContact CG2-CG2 4.37Å; I1680-T1684 WeakPolarHBondContact O-CG2 3.48Å; I1680-T1684 PolarHBondContact O-N 2.92Å; I1680-T1684 PolarHBondContact O-OG1 3.34Å; I1680-T1684 VanDerWaalsContact O-OG1 3.09Å; I1680-W1759 HydrophobicContact CB-CH2 4.29Å; I1680-W1759 HydrophobicContact CD1-CH2 3.91Å; I1680-W1759 HydrophobicContact CD1-CZ2 4.04Å; I1680-W1759 HydrophobicContact CG1-CH2 3.09Å; I1680-W1759 HydrophobicContact CG1-CZ2 3.64Å; I1680-W1759 HydrophobicContact CG1-CZ3 3.83Å |
| 1681 | A | 81.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1640 Y1658 R1677 L1678 F1679 I1683 T1684 I1685 | P1640-A1681 HydrophobicContact CG-CB 3.54Å; Y1658-A1681 HydrophobicContact CD1-CB 4.41Å; Y1658-A1681 HydrophobicContact CE1-CB 3.68Å; R1677-A1681 PolarHBondContact O-N 3.41Å; L1678-A1681 PolarHBondContact O-N 2.7Å; F1679-A1681 VanDerWaalsContact C-N 3.32Å; F1679-A1681 PolarHBondContact O-N 2.96Å; A1681-I1683 PolarHBondContact O-N 3.14Å; A1681-T1684 WeakPolarHBondContact CA-OG1 3.38Å; A1681-T1684 PolarHBondContact O-N 3.04Å; A1681-T1684 PolarHBondContact O-OG1 3.44Å; A1681-I1685 WeakPolarHBondContact O-CG1 3.43Å; A1681-I1685 PolarHBondContact O-N 3.45Å; A1681-I1685 VanDerWaalsContact O-N 3.09Å |
| 1682 | L | 83.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 178.1 | -178.7 | 63.2 | 0 | 0 | 0 | 112 | I1662 L1678 F1679 I1680 T1684 I1685 I1686 L1716 | I1662-L1682 HydrophobicContact CD1-CD2 3.94Å; L1678-L1682 WeakPolarHBondContact O-CB 3.29Å; L1678-L1682 PolarHBondContact O-N 3.48Å; F1679-L1682 PolarHBondContact O-N 2.75Å; I1680-L1682 PolarHBondContact O-N 3.35Å; L1682-T1684 PolarHBondContact O-N 2.83Å; L1682-I1685 PolarHBondContact O-N 3.17Å; L1682-I1686 HydrophobicContact CD1-CD1 4.11Å; L1682-I1686 HydrophobicContact CG-CD1 3.91Å; L1682-I1686 WeakPolarHBondContact O-CD1 3.25Å; L1682-I1686 VanDerWaalsContact O-CG1 3.28Å; L1682-I1686 WeakPolarHBondContact O-CG1 3.49Å; L1682-I1686 PolarHBondContact O-N 3.46Å; L1682-I1686 VanDerWaalsContact O-N 3.14Å; L1682-L1716 HydrophobicContact CD2-CD1 3.42Å; L1682-L1716 VanDerWaalsContact CD2-CD1 3.42Å |
| 1683 | I | 82.3 | Confident | 77.2 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.6 | -71.1 | 165.9 | 0 | 0 | 0 | 110.9 | F1679 I1680 A1681 I1685 I1686 E1687 W1759 C1762 L1763 V1766 | F1679-I1683 WeakPolarHBondContact O-CB 3.39Å; F1679-I1683 VanDerWaalsContact O-CG1 3.31Å; F1679-I1683 WeakPolarHBondContact O-CG1 3.38Å; F1679-I1683 PolarHBondContact O-N 3.23Å; I1680-I1683 PolarHBondContact O-N 3.26Å; A1681-I1683 PolarHBondContact O-N 3.14Å; I1683-I1685 VanDerWaalsContact C-N 3.31Å; I1683-I1685 PolarHBondContact O-N 2.81Å; I1683-I1686 PolarHBondContact O-N 3.48Å; I1683-E1687 HydrophobicContact CG2-CG 4.27Å; I1683-E1687 WeakPolarHBondContact O-CB 3.48Å; I1683-E1687 WeakPolarHBondContact O-CG 3.36Å; I1683-E1687 PolarHBondContact O-N 3.42Å; I1683-W1759 HydrophobicContact CD1-CE3 3.47Å; I1683-W1759 VanDerWaalsContact CD1-CE3 3.47Å; I1683-W1759 HydrophobicContact CD1-CZ3 3.65Å; I1683-C1762 HydrophobicContact CD1-CB 4.16Å; I1683-L1763 HydrophobicContact CD1-CD2 4.03Å; I1683-L1763 HydrophobicContact CD1-CG 4.12Å; I1683-L1763 HydrophobicContact CG1-CD2 3.79Å; I1683-L1763 HydrophobicContact CG1-CG 4.43Å; I1683-V1766 HydrophobicContact CG2-CG2 4.36Å |
| 1684 | T | 81.4 | Confident | 76.5 | Confident | 35 Ų | 35 | 33.6 Ų | 33.6 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 178.5 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | T1637 P1640 I1680 A1681 L1682 E1687 D1688 | T1637-T1684 HydrophobicContact CG2-CG2 3.91Å; P1640-T1684 WeakPolarHBondContact CB-OG1 3.28Å; P1640-T1684 WeakPolarHBondContact CG-OG1 3.35Å; I1680-T1684 HydrophobicContact CG2-CG2 4.37Å; I1680-T1684 WeakPolarHBondContact O-CG2 3.48Å; I1680-T1684 PolarHBondContact O-N 2.92Å; I1680-T1684 PolarHBondContact O-OG1 3.34Å; I1680-T1684 VanDerWaalsContact O-OG1 3.09Å; A1681-T1684 WeakPolarHBondContact CA-OG1 3.38Å; A1681-T1684 PolarHBondContact O-N 3.04Å; A1681-T1684 PolarHBondContact O-OG1 3.44Å; L1682-T1684 PolarHBondContact O-N 2.83Å; T1684-E1687 PolarHBondContact O-N 2.82Å; T1684-D1688 WeakPolarHBondContact O-CB 3.28Å; T1684-D1688 PolarHBondContact O-N 3.16Å |
| 1685 | I | 78.5 | Confident | 75.4 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.6 | -67.5 | 166.2 | 0 | 0 | 0 | 110.9 | P1640 I1651 I1654 Y1658 A1681 L1682 I1683 D1688 F1689 | P1640-I1685 HydrophobicContact CB-CD1 4.36Å; P1640-I1685 HydrophobicContact CB-CG1 3.86Å; P1640-I1685 HydrophobicContact CG-CD1 4.34Å; P1640-I1685 HydrophobicContact CG-CG1 4.26Å; I1651-I1685 HydrophobicContact CD1-CG2 3.65Å; I1651-I1685 HydrophobicContact CG1-CG2 3.76Å; I1654-I1685 HydrophobicContact CG2-CD1 3.7Å; I1654-I1685 HydrophobicContact CG2-CG2 4.29Å; Y1658-I1685 HydrophobicContact CD2-CD1 3.59Å; Y1658-I1685 HydrophobicContact CE2-CD1 3.23Å; A1681-I1685 WeakPolarHBondContact O-CG1 3.43Å; A1681-I1685 PolarHBondContact O-N 3.45Å; A1681-I1685 VanDerWaalsContact O-N 3.09Å; L1682-I1685 PolarHBondContact O-N 3.17Å; I1683-I1685 VanDerWaalsContact C-N 3.31Å; I1683-I1685 PolarHBondContact O-N 2.81Å; I1685-D1688 PolarHBondContact O-N 3.34Å; I1685-F1689 PolarHBondContact O-N 3.05Å |
| 1686 | I | 79.4 | Confident | 74.3 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.2 | -39.4 | 179.9 | -58 | 156 | 0 | 0 | 0 | 111 | L1682 I1683 F1689 L1690 I1709 I1713 V1766 L1770 | L1682-I1686 HydrophobicContact CD1-CD1 4.11Å; L1682-I1686 HydrophobicContact CG-CD1 3.91Å; L1682-I1686 WeakPolarHBondContact O-CD1 3.25Å; L1682-I1686 VanDerWaalsContact O-CG1 3.28Å; L1682-I1686 WeakPolarHBondContact O-CG1 3.49Å; L1682-I1686 PolarHBondContact O-N 3.46Å; L1682-I1686 VanDerWaalsContact O-N 3.14Å; I1683-I1686 PolarHBondContact O-N 3.48Å; I1686-F1689 WeakPolarHBondContact O-CB 3.36Å; I1686-F1689 PolarHBondContact O-N 3.49Å; I1686-L1690 HydrophobicContact CG2-CD1 4.31Å; I1686-L1690 WeakPolarHBondContact O-CG 3.47Å; I1686-L1690 PolarHBondContact O-N 3.45Å; I1686-I1709 HydrophobicContact CD1-CG2 4.23Å; I1686-I1709 HydrophobicContact CG1-CG2 3.98Å; I1686-I1709 HydrophobicContact CG2-CG2 4.23Å; I1686-I1713 HydrophobicContact CD1-CD1 3.6Å; I1686-I1713 HydrophobicContact CD1-CG1 4.01Å; I1686-I1713 HydrophobicContact CG2-CD1 4.36Å; I1686-V1766 HydrophobicContact CB-CG1 3.93Å; I1686-V1766 HydrophobicContact CD1-CG1 4.4Å; I1686-V1766 HydrophobicContact CG2-CG1 3.2Å; I1686-L1770 HydrophobicContact CG2-CD1 3.73Å; I1686-L1770 HydrophobicContact CG2-CD2 4.42Å; I1686-L1770 HydrophobicContact CG2-CG 4.25Å |
| 1687 | E | 80.6 | Confident | 73.7 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 174.5 | -81.3 | -67.8 | 174.3 | 0 | 0 | 112 | I1683 T1684 F1689 L1690 T1691 V1766 R1769 | I1683-E1687 HydrophobicContact CG2-CG 4.27Å; I1683-E1687 WeakPolarHBondContact O-CB 3.48Å; I1683-E1687 WeakPolarHBondContact O-CG 3.36Å; I1683-E1687 PolarHBondContact O-N 3.42Å; T1684-E1687 PolarHBondContact O-N 2.82Å; E1687-F1689 VanDerWaalsContact C-N 3.3Å; E1687-F1689 PolarHBondContact O-N 3.42Å; E1687-L1690 PolarHBondContact O-N 3.5Å; E1687-T1691 WeakPolarHBondContact O-CB 3.27Å; E1687-T1691 WeakPolarHBondContact O-CG2 3.38Å; E1687-T1691 PolarHBondContact O-N 3.39Å; E1687-T1691 PolarHBondContact O-OG1 3Å; E1687-V1766 HydrophobicContact CG-CG2 4.16Å; E1687-V1766 WeakPolarHBondContact OE1-CG2 3.33Å; E1687-R1769 IonicContact OE1-CZ 3.68Å; E1687-R1769 IonicContact OE1-NH1 3.42Å; E1687-R1769 PolarHBondContact OE1-NH1 3.49Å; E1687-R1769 IonicContact OE2-CZ 2.71Å; E1687-R1769 IonicContact OE2-NH1 3.08Å; E1687-R1769 PolarHBondContact OE2-NH1 3.27Å; E1687-R1769 IonicContact OE2-NH2 2.93Å; E1687-R1769 PolarHBondContact OE2-NH2 3.38Å |
| 1688 | D | 74.6 | Confident | 72.9 | Confident | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -37.2 | 174.1 | -81.9 | -33.8 | 0 | 0 | 0 | 111.6 | R1644 T1684 I1685 T1691 N1692 | R1644-D1688 WeakPolarHBondContact CD-OD2 3.18Å; R1644-D1688 IonicContact CZ-OD2 3.06Å; R1644-D1688 IonicContact NE-OD2 2.81Å; R1644-D1688 VanDerWaalsContact NH1-CG 3.34Å; R1644-D1688 IonicContact NH1-OD1 2.83Å; R1644-D1688 PolarHBondContact NH1-OD1 3.4Å; R1644-D1688 VanDerWaalsContact NH1-OD1 3.08Å; R1644-D1688 IonicContact NH1-OD2 2.65Å; R1644-D1688 PolarHBondContact NH1-OD2 3.01Å; T1684-D1688 WeakPolarHBondContact O-CB 3.28Å; T1684-D1688 PolarHBondContact O-N 3.16Å; I1685-D1688 PolarHBondContact O-N 3.34Å; D1688-T1691 WeakPolarHBondContact CA-OG1 3.45Å; D1688-T1691 PolarHBondContact O-N 3.13Å; D1688-T1691 PolarHBondContact O-OG1 2.85Å; D1688-N1692 WeakPolarHBondContact O-CB 3.25Å; D1688-N1692 PolarHBondContact O-N 2.91Å; D1688-N1692 PolarHBondContact O-ND2 3.21Å |
| 1689 | F | 77.6 | Confident | 72.4 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 174.1 | 175.6 | -109.7 | 0 | 0 | 0 | 113.6 | I1651 I1685 I1686 E1687 R1702 Q1705 A1706 I1709 L1770 | I1651-F1689 HydrophobicContact CB-CD2 4.17Å; I1651-F1689 HydrophobicContact CD1-CB 3.75Å; I1651-F1689 HydrophobicContact CD1-CD2 4.29Å; I1651-F1689 HydrophobicContact CD1-CG 4.38Å; I1651-F1689 HydrophobicContact CG1-CB 4.08Å; I1651-F1689 HydrophobicContact CG1-CD2 4.29Å; I1651-F1689 HydrophobicContact CG1-CG 4.35Å; I1651-F1689 HydrophobicContact CG2-CD2 3.59Å; I1651-F1689 HydrophobicContact CG2-CE2 3.7Å; I1651-F1689 HydrophobicContact CG2-CG 4.1Å; I1651-F1689 HydrophobicContact CG2-CZ 4.31Å; I1685-F1689 PolarHBondContact O-N 3.05Å; I1686-F1689 WeakPolarHBondContact O-CB 3.36Å; I1686-F1689 PolarHBondContact O-N 3.49Å; E1687-F1689 VanDerWaalsContact C-N 3.3Å; E1687-F1689 PolarHBondContact O-N 3.42Å; F1689-R1702 HydrophobicContact CE2-CG 3.98Å; F1689-R1702 HydrophobicContact CZ-CG 3.61Å; F1689-R1702 PolarHBondContact O-NH2 3.01Å; F1689-Q1705 HydrophobicContact CZ-CB 4.44Å; F1689-A1706 HydrophobicContact CE1-CB 4.31Å; F1689-I1709 HydrophobicContact CD1-CD1 4.18Å; F1689-I1709 HydrophobicContact CE1-CD1 4.16Å; F1689-L1770 HydrophobicContact CD1-CD2 4.32Å; F1689-L1770 HydrophobicContact CE1-CD2 4.26Å |
| 1690 | L | 75.2 | Confident | 71.9 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.4 | -30 | 178.9 | -71.1 | 172.9 | 0 | 0 | 0 | 112.4 | I1686 E1687 V1766 R1769 L1770 L1773 | I1686-L1690 HydrophobicContact CG2-CD1 4.31Å; I1686-L1690 WeakPolarHBondContact O-CG 3.47Å; I1686-L1690 PolarHBondContact O-N 3.45Å; E1687-L1690 PolarHBondContact O-N 3.5Å; L1690-V1766 HydrophobicContact CD1-CG1 4.23Å; L1690-R1769 HydrophobicContact CD1-CB 3.8Å; L1690-L1770 HydrophobicContact CD1-CG 4.37Å; L1690-L1770 HydrophobicContact CD2-CD2 3.79Å; L1690-L1770 HydrophobicContact CD2-CG 4.11Å; L1690-L1770 HydrophobicContact CG-CD2 4.4Å; L1690-L1773 HydrophobicContact CD2-CD1 4.04Å |
| 1691 | T | 74.3 | Confident | 71.3 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -92.6 | -39.7 | -174.2 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | E1687 D1688 T1693 | E1687-T1691 WeakPolarHBondContact O-CB 3.27Å; E1687-T1691 WeakPolarHBondContact O-CG2 3.38Å; E1687-T1691 PolarHBondContact O-N 3.39Å; E1687-T1691 PolarHBondContact O-OG1 3Å; D1688-T1691 WeakPolarHBondContact CA-OG1 3.45Å; D1688-T1691 PolarHBondContact O-N 3.13Å; D1688-T1691 PolarHBondContact O-OG1 2.85Å; T1691-T1693 PolarHBondContact O-N 2.94Å |
| 1692 | N | 66.5 | Low | 70.8 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | trans | -80.4 | 111.7 | 179.3 | -71.9 | -50 | 0 | 0 | 0 | 110.9 | D1688 R1702 | D1688-N1692 WeakPolarHBondContact O-CB 3.25Å; D1688-N1692 PolarHBondContact O-N 2.91Å; D1688-N1692 PolarHBondContact O-ND2 3.21Å; N1692-R1702 PolarHBondContact O-NH2 3.36Å | ||
| 1693 | T | 57.5 | Low | 70.5 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 72% | 0.718 | 35% | 0.353 | S | S | * | . | trans | -89.7 | -3.1 | 174.7 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | T1691 | T1691-T1693 PolarHBondContact O-N 2.94Š| ||
| 1694 | S | 55 | Low | 70.2 | Confident | 98 Ų | 98 | 72 Ų | 72 | 69% | 0.685 | 37% | 0.373 | S | S | * | . | trans | -90.4 | 0.6 | -170.8 | 51.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1695 | I | 54.7 | Low | 69.8 | Low | 66 Ų | 66 | 70.9 Ų | 70.9 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -90.1 | 117.9 | 177.6 | -57.5 | 171.4 | 0 | 0 | 0 | 109 | L1649 L1697 | L1649-I1695 HydrophobicContact CD2-CG2 4.47Å; I1695-L1697 VanDerWaalsContact C-N 3.27Å; I1695-L1697 HydrophobicContact CG2-CD1 4.41Å; I1695-L1697 PolarHBondContact O-N 3.3Å |
| 1696 | Q | 55.2 | Low | 69.8 | Low | 185 Ų | 185 | 70.5 Ų | 70.5 | 86% | 0.864 | 36% | 0.363 | S | S | * | . | trans | -67.7 | 56.7 | -168 | -64.1 | 178.9 | -19.2 | 0 | 0 | 115.4 | ||||
| 1697 | L | 62.4 | Low | 69.8 | Low | 36 Ų | 36 | 73.6 Ų | 73.6 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | trans | -96.2 | 131.5 | 170.7 | -79.2 | 149.9 | 0 | 0 | 0 | 110.7 | I1695 L1699 Q1701 | I1695-L1697 VanDerWaalsContact C-N 3.27Å; I1695-L1697 HydrophobicContact CG2-CD1 4.41Å; I1695-L1697 PolarHBondContact O-N 3.3Å; L1697-L1699 PolarHBondContact O-N 3.17Å; L1697-Q1701 HydrophobicContact CD2-CB 4.17Å; L1697-Q1701 HydrophobicContact CD2-CG 4.05Å | ||
| 1698 | P | 66.7 | Low | 69.7 | Low | 82 Ų | 82 | 77.9 Ų | 77.9 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | trans | -53.6 | 139.8 | 168.6 | -22.2 | 31 | 0 | 0 | 0 | 110.7 | R1700 Q1701 R1702 | P1698-R1700 PolarHBondContact O-N 3.24Å; P1698-Q1701 WeakPolarHBondContact O-CA 3.28Å; P1698-Q1701 WeakPolarHBondContact O-CB 3.31Å; P1698-Q1701 PolarHBondContact O-N 3.02Å; P1698-R1702 PolarHBondContact O-N 2.97Å | ||
| 1699 | L | 70.8 | Confident | 69.9 | Low | 139 Ų | 139 | 76.3 Ų | 76.3 | 73% | 0.728 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -46.8 | -44.4 | -173.4 | -170.5 | 75.1 | 0 | 0 | 0 | 113.1 | L1697 Q1701 R1702 M1703 | L1697-L1699 PolarHBondContact O-N 3.17Å; L1699-Q1701 VanDerWaalsContact C-N 3.31Å; L1699-Q1701 PolarHBondContact O-N 3.46Å; L1699-R1702 PolarHBondContact O-N 3.01Å; L1699-M1703 WeakPolarHBondContact O-CG 3.31Å; L1699-M1703 PolarHBondContact O-N 2.85Å |
| 1700 | R | 70.9 | Confident | 70.1 | Confident | 206 Ų | 206 | 76.7 Ų | 76.7 | 78% | 0.777 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.9 | -38 | 178.6 | -172.7 | 177.1 | -176.2 | -174.1 | 1.3 | 113.3 | P1698 L1704 | P1698-R1700 PolarHBondContact O-N 3.24Å; R1700-L1704 WeakPolarHBondContact O-CG 3.42Å; R1700-L1704 PolarHBondContact O-N 3.14Å; R1700-L1704 VanDerWaalsContact O-N 3.11Å |
| 1701 | Q | 69.1 | Low | 70.3 | Confident | 77 Ų | 77 | 81.1 Ų | 81.1 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.3 | -35.9 | -178.7 | -146.3 | 167.5 | 1.7 | 0 | 0 | 110.7 | L1697 P1698 L1699 L1704 Q1705 | L1697-Q1701 HydrophobicContact CD2-CB 4.17Å; L1697-Q1701 HydrophobicContact CD2-CG 4.05Å; P1698-Q1701 WeakPolarHBondContact O-CA 3.28Å; P1698-Q1701 WeakPolarHBondContact O-CB 3.31Å; P1698-Q1701 PolarHBondContact O-N 3.02Å; L1699-Q1701 VanDerWaalsContact C-N 3.31Å; L1699-Q1701 PolarHBondContact O-N 3.46Å; Q1701-L1704 PolarHBondContact O-N 3.45Å; Q1701-Q1705 WeakPolarHBondContact O-CG 3.34Å; Q1701-Q1705 PolarHBondContact O-N 3.12Å |
| 1702 | R | 72.1 | Confident | 70.6 | Confident | 42 Ų | 42 | 78.9 Ų | 78.9 | 16% | 0.158 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 171.9 | -164.3 | 178.5 | -173.2 | 165.2 | 6.2 | 112.1 | F1689 N1692 P1698 L1699 Q1705 A1706 L1773 | F1689-R1702 HydrophobicContact CE2-CG 3.98Å; F1689-R1702 HydrophobicContact CZ-CG 3.61Å; F1689-R1702 PolarHBondContact O-NH2 3.01Å; N1692-R1702 PolarHBondContact O-NH2 3.36Å; P1698-R1702 PolarHBondContact O-N 2.97Å; L1699-R1702 PolarHBondContact O-N 3.01Å; R1702-Q1705 PolarHBondContact O-N 2.79Å; R1702-A1706 WeakPolarHBondContact O-CB 3.37Å; R1702-A1706 PolarHBondContact O-N 3.39Å; R1702-L1773 HydrophobicContact CG-CD2 4.48Å |
| 1703 | M | 75.9 | Confident | 71.3 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 174.7 | -68.9 | 175.8 | 76.8 | 0 | 0 | 112.1 | L1699 Q1705 A1706 D1707 S1774 | L1699-M1703 WeakPolarHBondContact O-CG 3.31Å; L1699-M1703 PolarHBondContact O-N 2.85Å; M1703-Q1705 VanDerWaalsContact C-N 3.28Å; M1703-Q1705 PolarHBondContact O-N 3.03Å; M1703-A1706 WeakPolarHBondContact O-CB 3.3Å; M1703-A1706 PolarHBondContact O-N 2.82Å; M1703-A1706 VanDerWaalsContact O-N 3.14Å; M1703-D1707 PolarHBondContact O-N 2.9Å; M1703-S1774 VanDerWaalsContact CE-O 3.29Å; M1703-S1774 WeakPolarHBondContact CE-O 3.44Å |
| 1704 | L | 75 | Confident | 72.4 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 177.4 | -74.6 | 170.1 | 0 | 0 | 0 | 112.6 | R1700 Q1701 R1708 | R1700-L1704 WeakPolarHBondContact O-CG 3.42Å; R1700-L1704 PolarHBondContact O-N 3.14Å; R1700-L1704 VanDerWaalsContact O-N 3.11Å; Q1701-L1704 PolarHBondContact O-N 3.45Å; L1704-R1708 WeakPolarHBondContact O-CG 3.25Å; L1704-R1708 PolarHBondContact O-N 2.98Å |
| 1705 | Q | 74.3 | Confident | 73.6 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 173.8 | -73.6 | 179.1 | -16.8 | 0 | 0 | 111.6 | F1689 Q1701 R1702 M1703 D1707 R1708 I1709 | F1689-Q1705 HydrophobicContact CZ-CB 4.44Å; Q1701-Q1705 WeakPolarHBondContact O-CG 3.34Å; Q1701-Q1705 PolarHBondContact O-N 3.12Å; R1702-Q1705 PolarHBondContact O-N 2.79Å; M1703-Q1705 VanDerWaalsContact C-N 3.28Å; M1703-Q1705 PolarHBondContact O-N 3.03Å; Q1705-D1707 VanDerWaalsContact C-N 3.33Å; Q1705-D1707 PolarHBondContact O-N 3.36Å; Q1705-R1708 PolarHBondContact O-N 3.32Å; Q1705-I1709 WeakPolarHBondContact O-CD1 3.42Å; Q1705-I1709 VanDerWaalsContact O-CG1 3.25Å; Q1705-I1709 WeakPolarHBondContact O-CG1 3.49Å; Q1705-I1709 PolarHBondContact O-N 3.32Å |
| 1706 | A | 77.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F1689 R1702 M1703 I1709 L1710 L1770 L1773 | F1689-A1706 HydrophobicContact CE1-CB 4.31Å; R1702-A1706 WeakPolarHBondContact O-CB 3.37Å; R1702-A1706 PolarHBondContact O-N 3.39Å; M1703-A1706 WeakPolarHBondContact O-CB 3.3Å; M1703-A1706 PolarHBondContact O-N 2.82Å; M1703-A1706 VanDerWaalsContact O-N 3.14Å; A1706-I1709 PolarHBondContact O-N 3.48Å; A1706-L1710 VanDerWaalsContact O-CB 3.26Å; A1706-L1710 WeakPolarHBondContact O-CB 3.45Å; A1706-L1710 PolarHBondContact O-N 3.09Å; A1706-L1770 HydrophobicContact CB-CD2 4.13Å; A1706-L1773 HydrophobicContact CB-CD2 4.05Å |
| 1707 | D | 79.6 | Confident | 75.7 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.5 | -88.1 | -3.1 | 0 | 0 | 0 | 112.7 | M1703 Q1705 L1710 N1711 S1774 | M1703-D1707 PolarHBondContact O-N 2.9Å; Q1705-D1707 VanDerWaalsContact C-N 3.33Å; Q1705-D1707 PolarHBondContact O-N 3.36Å; D1707-L1710 PolarHBondContact O-N 3.39Å; D1707-N1711 PolarHBondContact O-N 3.27Å; D1707-N1711 PolarHBondContact O-ND2 3.08Å; D1707-S1774 VanDerWaalsContact OD1-CB 3.25Å; D1707-S1774 WeakPolarHBondContact OD1-CB 3.43Å; D1707-S1774 PolarHBondContact OD1-OG 3.17Å |
| 1708 | R | 78.3 | Confident | 76.5 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 176.1 | -75.2 | -177.8 | -177.2 | 176.9 | 1.4 | 111.5 | L1704 Q1705 L1710 N1711 Q1712 | L1704-R1708 WeakPolarHBondContact O-CG 3.25Å; L1704-R1708 PolarHBondContact O-N 2.98Å; Q1705-R1708 PolarHBondContact O-N 3.32Å; R1708-L1710 VanDerWaalsContact C-N 3.32Å; R1708-L1710 PolarHBondContact O-N 2.71Å; R1708-N1711 PolarHBondContact O-N 2.92Å; R1708-Q1712 WeakPolarHBondContact O-CG 3.41Å; R1708-Q1712 PolarHBondContact O-N 3.45Å; R1708-Q1712 VanDerWaalsContact O-N 3.16Å |
| 1709 | I | 78.8 | Confident | 76.7 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 178.3 | -61.2 | 162.8 | 0 | 0 | 0 | 110.3 | I1651 I1686 F1689 Q1705 A1706 N1711 Q1712 I1713 L1770 | I1651-I1709 HydrophobicContact CG2-CD1 3.82Å; I1686-I1709 HydrophobicContact CD1-CG2 4.23Å; I1686-I1709 HydrophobicContact CG1-CG2 3.98Å; I1686-I1709 HydrophobicContact CG2-CG2 4.23Å; F1689-I1709 HydrophobicContact CD1-CD1 4.18Å; F1689-I1709 HydrophobicContact CE1-CD1 4.16Å; Q1705-I1709 WeakPolarHBondContact O-CD1 3.42Å; Q1705-I1709 VanDerWaalsContact O-CG1 3.25Å; Q1705-I1709 WeakPolarHBondContact O-CG1 3.49Å; Q1705-I1709 PolarHBondContact O-N 3.32Å; A1706-I1709 PolarHBondContact O-N 3.48Å; I1709-N1711 PolarHBondContact O-N 2.84Å; I1709-Q1712 WeakPolarHBondContact O-CB 3.42Å; I1709-Q1712 PolarHBondContact O-N 3.49Å; I1709-I1713 HydrophobicContact CG2-CD1 3.82Å; I1709-I1713 HydrophobicContact CG2-CG1 4.29Å; I1709-I1713 WeakPolarHBondContact O-CG1 3.14Å; I1709-I1713 PolarHBondContact O-N 3.45Å; I1709-L1770 HydrophobicContact CB-CD1 4.36Å; I1709-L1770 HydrophobicContact CG2-CD1 3.65Å |
| 1710 | L | 81.9 | Confident | 76.8 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -50.2 | 177 | -172.3 | 72 | 0 | 0 | 0 | 110.3 | A1706 D1707 R1708 Q1712 I1713 T1714 H1767 L1770 Q1771 | A1706-L1710 VanDerWaalsContact O-CB 3.26Å; A1706-L1710 WeakPolarHBondContact O-CB 3.45Å; A1706-L1710 PolarHBondContact O-N 3.09Å; D1707-L1710 PolarHBondContact O-N 3.39Å; R1708-L1710 VanDerWaalsContact C-N 3.32Å; R1708-L1710 PolarHBondContact O-N 2.71Å; L1710-Q1712 VanDerWaalsContact C-N 3.28Å; L1710-Q1712 PolarHBondContact O-N 3.18Å; L1710-I1713 PolarHBondContact O-N 3.34Å; L1710-T1714 PolarHBondContact O-N 3Å; L1710-T1714 PolarHBondContact O-OG1 3.09Å; L1710-H1767 VanDerWaalsContact CD1-CD2 3.49Å; L1710-H1767 WeakPolarHBondContact CD1-CD2 3.26Å; L1710-H1767 WeakPolarHBondContact CD1-O 3.49Å; L1710-L1770 HydrophobicContact CD1-CB 3.86Å; L1710-Q1771 HydrophobicContact CD1-CB 4.18Å; L1710-Q1771 HydrophobicContact CD2-CB 4.4Å |
| 1711 | N | 80.6 | Confident | 76.7 | Confident | 114 Ų | 114 | 48.4 Ų | 48.4 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -57.7 | -39.1 | 177 | -72 | -34.7 | 0 | 0 | 0 | 112.8 | D1707 R1708 I1709 T1714 G1715 | D1707-N1711 PolarHBondContact O-N 3.27Å; D1707-N1711 PolarHBondContact O-ND2 3.08Å; R1708-N1711 PolarHBondContact O-N 2.92Å; I1709-N1711 PolarHBondContact O-N 2.84Å; N1711-T1714 PolarHBondContact O-N 3.48Å; N1711-G1715 PolarHBondContact O-N 3.16Å |
| 1712 | Q | 79.5 | Confident | 76.4 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 176.3 | -68.9 | -178.3 | -44.1 | 0 | 0 | 112.5 | S1655 D1656 R1708 I1709 L1710 T1714 G1715 L1716 | S1655-Q1712 PolarHBondContact OG-OE1 3.43Å; D1656-Q1712 PolarHBondContact OD1-NE2 3.17Å; R1708-Q1712 WeakPolarHBondContact O-CG 3.41Å; R1708-Q1712 PolarHBondContact O-N 3.45Å; R1708-Q1712 VanDerWaalsContact O-N 3.16Å; I1709-Q1712 WeakPolarHBondContact O-CB 3.42Å; I1709-Q1712 PolarHBondContact O-N 3.49Å; L1710-Q1712 VanDerWaalsContact C-N 3.28Å; L1710-Q1712 PolarHBondContact O-N 3.18Å; Q1712-T1714 VanDerWaalsContact C-N 3.29Å; Q1712-T1714 PolarHBondContact O-N 3.33Å; Q1712-G1715 WeakPolarHBondContact O-CA 3.32Å; Q1712-G1715 PolarHBondContact O-N 2.74Å; Q1712-G1715 VanDerWaalsContact O-N 3.13Å; Q1712-L1716 PolarHBondContact O-N 3.22Å |
| 1713 | I | 80.3 | Confident | 75.8 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 178.2 | -64.5 | 170.5 | 0 | 0 | 0 | 110.5 | I1686 I1709 L1710 G1715 L1716 L1717 L1763 V1766 H1767 L1770 | I1686-I1713 HydrophobicContact CD1-CD1 3.6Å; I1686-I1713 HydrophobicContact CD1-CG1 4.01Å; I1686-I1713 HydrophobicContact CG2-CD1 4.36Å; I1709-I1713 HydrophobicContact CG2-CD1 3.82Å; I1709-I1713 HydrophobicContact CG2-CG1 4.29Å; I1709-I1713 WeakPolarHBondContact O-CG1 3.14Å; I1709-I1713 PolarHBondContact O-N 3.45Å; L1710-I1713 PolarHBondContact O-N 3.34Å; I1713-G1715 VanDerWaalsContact C-N 3.31Å; I1713-G1715 PolarHBondContact O-N 3.43Å; I1713-L1716 PolarHBondContact O-N 3.4Å; I1713-L1717 HydrophobicContact CG2-CD1 3.9Å; I1713-L1717 HydrophobicContact CG2-CG 4.24Å; I1713-L1717 VanDerWaalsContact O-CB 3.3Å; I1713-L1717 WeakPolarHBondContact O-CB 3.4Å; I1713-L1717 WeakPolarHBondContact O-CG 3.45Å; I1713-L1717 PolarHBondContact O-N 3.2Å; I1713-L1763 HydrophobicContact CG2-CB 4.37Å; I1713-L1763 HydrophobicContact CG2-CD2 4.24Å; I1713-V1766 HydrophobicContact CD1-CG1 3.91Å; I1713-H1767 HydrophobicContact CG2-CB 4.01Å; I1713-L1770 HydrophobicContact CD1-CD1 3.3Å |
| 1714 | T | 82.2 | Confident | 74.8 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 172.9 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | L1710 N1711 Q1712 L1717 V1718 H1767 | L1710-T1714 PolarHBondContact O-N 3Å; L1710-T1714 PolarHBondContact O-OG1 3.09Å; N1711-T1714 PolarHBondContact O-N 3.48Å; Q1712-T1714 VanDerWaalsContact C-N 3.29Å; Q1712-T1714 PolarHBondContact O-N 3.33Å; T1714-L1717 PolarHBondContact O-N 3.42Å; T1714-V1718 VanDerWaalsContact O-CG2 3.27Å; T1714-V1718 WeakPolarHBondContact O-CG2 3.35Å; T1714-V1718 PolarHBondContact O-N 3.09Å; T1714-H1767 PolarHBondContact OG1-NE2 2.82Å; T1714-H1767 VanDerWaalsContact OG1-NE2 3.17Å |
| 1715 | G | 78.6 | Confident | 73.6 | Confident | 32 Ų | 32 | 49 Ų | 49 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.1 | -51.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | N1711 Q1712 I1713 L1717 V1718 D1719 | N1711-G1715 PolarHBondContact O-N 3.16Å; Q1712-G1715 WeakPolarHBondContact O-CA 3.32Å; Q1712-G1715 PolarHBondContact O-N 2.74Å; Q1712-G1715 VanDerWaalsContact O-N 3.13Å; I1713-G1715 VanDerWaalsContact C-N 3.31Å; I1713-G1715 PolarHBondContact O-N 3.43Å; G1715-L1717 VanDerWaalsContact C-N 3.34Å; G1715-L1717 PolarHBondContact O-N 3.02Å; G1715-V1718 WeakPolarHBondContact O-CB 3.35Å; G1715-V1718 PolarHBondContact O-N 3.48Å; G1715-V1718 VanDerWaalsContact O-N 3.12Å; G1715-D1719 PolarHBondContact O-N 3.17Å |
| 1716 | L | 76.6 | Confident | 72.5 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 178.3 | -71.5 | 171.2 | 0 | 0 | 0 | 113 | I1662 F1679 L1682 Q1712 I1713 V1718 D1719 L1720 | I1662-L1716 HydrophobicContact CG2-CD2 3.99Å; F1679-L1716 HydrophobicContact CE1-CD2 4.23Å; L1682-L1716 HydrophobicContact CD2-CD1 3.42Å; L1682-L1716 VanDerWaalsContact CD2-CD1 3.42Å; Q1712-L1716 PolarHBondContact O-N 3.22Å; I1713-L1716 PolarHBondContact O-N 3.4Å; L1716-V1718 VanDerWaalsContact C-N 3.34Å; L1716-D1719 PolarHBondContact O-N 3.04Å; L1716-L1720 VanDerWaalsContact O-CB 3.31Å; L1716-L1720 WeakPolarHBondContact O-CB 3.43Å; L1716-L1720 VanDerWaalsContact O-CG 3.28Å; L1716-L1720 WeakPolarHBondContact O-CG 3.44Å; L1716-L1720 PolarHBondContact O-N 3.49Å |
| 1717 | L | 77.6 | Confident | 71 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 174.6 | -82.9 | 170.1 | 0 | 0 | 0 | 111.8 | I1713 T1714 G1715 N1721 I1760 L1763 R1764 H1767 | I1713-L1717 HydrophobicContact CG2-CD1 3.9Å; I1713-L1717 HydrophobicContact CG2-CG 4.24Å; I1713-L1717 VanDerWaalsContact O-CB 3.3Å; I1713-L1717 WeakPolarHBondContact O-CB 3.4Å; I1713-L1717 WeakPolarHBondContact O-CG 3.45Å; I1713-L1717 PolarHBondContact O-N 3.2Å; T1714-L1717 PolarHBondContact O-N 3.42Å; G1715-L1717 VanDerWaalsContact C-N 3.34Å; G1715-L1717 PolarHBondContact O-N 3.02Å; L1717-N1721 VanDerWaalsContact O-CB 3.25Å; L1717-N1721 WeakPolarHBondContact O-CB 3.39Å; L1717-N1721 VanDerWaalsContact O-CG 3.26Å; L1717-N1721 PolarHBondContact O-N 3.07Å; L1717-N1721 PolarHBondContact O-ND2 2.8Å; L1717-I1760 HydrophobicContact CD2-CB 4.48Å; L1717-I1760 HydrophobicContact CD2-CG2 3.94Å; L1717-L1763 HydrophobicContact CD1-CB 4.48Å; L1717-L1763 HydrophobicContact CD2-CB 3.71Å; L1717-L1763 HydrophobicContact CD2-CD1 4.4Å; L1717-L1763 HydrophobicContact CG-CB 4.05Å; L1717-R1764 HydrophobicContact CD1-CG 4.27Å; L1717-R1764 HydrophobicContact CD2-CG 4.11Å; L1717-H1767 HydrophobicContact CD1-CB 4.21Å |
| 1718 | V | 79.3 | Confident | 68.9 | Low | 90 Ų | 90 | 60.6 Ų | 60.6 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | T1714 G1715 L1716 N1721 S1722 | T1714-V1718 VanDerWaalsContact O-CG2 3.27Å; T1714-V1718 WeakPolarHBondContact O-CG2 3.35Å; T1714-V1718 PolarHBondContact O-N 3.09Å; G1715-V1718 WeakPolarHBondContact O-CB 3.35Å; G1715-V1718 PolarHBondContact O-N 3.48Å; G1715-V1718 VanDerWaalsContact O-N 3.12Å; L1716-V1718 VanDerWaalsContact C-N 3.34Å; V1718-N1721 PolarHBondContact O-N 3.11Å; V1718-S1722 PolarHBondContact O-N 3.26Å |
| 1719 | D | 72.5 | Confident | 66.8 | Low | 74 Ų | 74 | 60.2 Ų | 60.2 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 179.7 | -69 | -14.3 | 0 | 0 | 0 | 111.6 | H1663 G1715 L1716 N1721 S1722 D1723 | H1663-D1719 IonicContact CE1-OD2 3.78Å; H1663-D1719 PolarHBondContact CE1-OD2 3.01Å; H1663-D1719 IonicContact NE2-OD2 3.21Å; G1715-D1719 PolarHBondContact O-N 3.17Å; L1716-D1719 PolarHBondContact O-N 3.04Å; D1719-N1721 PolarHBondContact O-N 2.55Å; D1719-S1722 PolarHBondContact O-N 2.93Å; D1719-S1722 PolarHBondContact O-OG 3.02Å; D1719-D1723 PolarHBondContact O-N 3.17Å |
| 1720 | L | 71.8 | Confident | 64.7 | Low | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 178.1 | -73 | 170.4 | 0 | 0 | 0 | 113.8 | F1679 L1716 D1723 I1724 I1760 L1763 | F1679-L1720 HydrophobicContact CE1-CD1 3.88Å; F1679-L1720 HydrophobicContact CE2-CD2 4.17Å; F1679-L1720 HydrophobicContact CZ-CD1 3.93Å; F1679-L1720 HydrophobicContact CZ-CD2 3.9Å; F1679-L1720 HydrophobicContact CZ-CG 4.18Å; L1716-L1720 VanDerWaalsContact O-CB 3.31Å; L1716-L1720 WeakPolarHBondContact O-CB 3.43Å; L1716-L1720 VanDerWaalsContact O-CG 3.28Å; L1716-L1720 WeakPolarHBondContact O-CG 3.44Å; L1716-L1720 PolarHBondContact O-N 3.49Å; L1720-D1723 PolarHBondContact O-N 3.28Å; L1720-I1724 PolarHBondContact O-N 3.5Å; L1720-I1760 HydrophobicContact CB-CD1 4.35Å; L1720-I1760 HydrophobicContact CB-CG1 4.24Å; L1720-L1763 HydrophobicContact CD1-CD1 3.52Å |
| 1721 | N | 68.5 | Low | 62.3 | Low | 58 Ų | 58 | 73.6 Ų | 73.6 | 31% | 0.31 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.3 | -32.9 | 174.3 | -81.1 | -50.2 | 0 | 0 | 0 | 111.7 | L1717 V1718 D1719 D1723 I1724 | L1717-N1721 VanDerWaalsContact O-CB 3.25Å; L1717-N1721 WeakPolarHBondContact O-CB 3.39Å; L1717-N1721 VanDerWaalsContact O-CG 3.26Å; L1717-N1721 PolarHBondContact O-N 3.07Å; L1717-N1721 PolarHBondContact O-ND2 2.8Å; V1718-N1721 PolarHBondContact O-N 3.11Å; D1719-N1721 PolarHBondContact O-N 2.55Å; N1721-D1723 VanDerWaalsContact C-N 3.32Å; N1721-I1724 PolarHBondContact O-N 3.43Å |
| 1722 | S | 64 | Low | 60.1 | Low | 66 Ų | 66 | 75.3 Ų | 75.3 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.3 | 79.7 | 0 | 0 | 0 | 0 | 111.6 | V1718 D1719 I1724 T1725 | V1718-S1722 PolarHBondContact O-N 3.26Å; D1719-S1722 PolarHBondContact O-N 2.93Å; D1719-S1722 PolarHBondContact O-OG 3.02Å; S1722-I1724 PolarHBondContact O-N 2.86Å; S1722-T1725 PolarHBondContact O-N 3.22Å; S1722-T1725 PolarHBondContact O-OG1 3.42Å |
| 1723 | D | 58.7 | Low | 57.8 | Low | 67 Ų | 67 | 80.6 Ų | 80.6 | 36% | 0.358 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 175.2 | -91.3 | 6.6 | 0 | 0 | 0 | 113.6 | D1719 L1720 N1721 T1725 S1726 K1756 | D1719-D1723 PolarHBondContact O-N 3.17Å; L1720-D1723 PolarHBondContact O-N 3.28Å; N1721-D1723 VanDerWaalsContact C-N 3.32Å; D1723-T1725 VanDerWaalsContact C-N 3.3Å; D1723-T1725 PolarHBondContact O-N 3Å; D1723-S1726 PolarHBondContact O-N 3.24Å; D1723-S1726 VanDerWaalsContact O-N 3.16Å; D1723-S1726 PolarHBondContact O-OG 2.96Å; D1723-K1756 IonicContact OD2-NZ 3.2Å; D1723-K1756 PolarHBondContact OD2-NZ 2.84Å; D1723-K1756 VanDerWaalsContact OD2-NZ 3.16Å |
| 1724 | I | 54.1 | Low | 55.6 | Low | 56 Ų | 56 | 88.6 Ų | 88.6 | 29% | 0.287 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -31.2 | -178.1 | -72.3 | -174 | 0 | 0 | 0 | 112.4 | L1720 N1721 S1722 S1726 I1727 K1756 I1760 | L1720-I1724 PolarHBondContact O-N 3.5Å; N1721-I1724 PolarHBondContact O-N 3.43Å; S1722-I1724 PolarHBondContact O-N 2.86Å; I1724-S1726 PolarHBondContact O-N 2.91Å; I1724-S1726 VanDerWaalsContact O-N 3.09Å; I1724-I1727 PolarHBondContact O-N 2.82Å; I1724-K1756 HydrophobicContact CD1-CB 4.45Å; I1724-I1760 HydrophobicContact CD1-CD1 3.17Å; I1724-I1760 HydrophobicContact CD1-CG1 4.5Å; I1724-I1760 HydrophobicContact CG1-CD1 4.2Å |
| 1725 | T | 51 | Low | 53.1 | Low | 115 Ų | 115 | 91.6 Ų | 91.6 | 71% | 0.706 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -11.2 | 176.3 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | S1722 D1723 | S1722-T1725 PolarHBondContact O-N 3.22Å; S1722-T1725 PolarHBondContact O-OG1 3.42Å; D1723-T1725 VanDerWaalsContact C-N 3.3Å; D1723-T1725 PolarHBondContact O-N 3Å |
| 1726 | S | 49.9 | Very low | 50.9 | Low | 93 Ų | 93 | 95.3 Ų | 95.3 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -8.4 | 176.3 | 73.7 | 0 | 0 | 0 | 0 | 115.5 | D1723 I1724 | D1723-S1726 PolarHBondContact O-N 3.24Å; D1723-S1726 VanDerWaalsContact O-N 3.16Å; D1723-S1726 PolarHBondContact O-OG 2.96Å; I1724-S1726 PolarHBondContact O-N 2.91Å; I1724-S1726 VanDerWaalsContact O-N 3.09Å |
| 1727 | I | 46.6 | Very low | 48.6 | Very low | 120 Ų | 120 | 101.8 Ų | 101.8 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -2.5 | -170.7 | -63.2 | 171.7 | 0 | 0 | 0 | 113.9 | I1724 T1729 | I1724-I1727 PolarHBondContact O-N 2.82Å; I1727-T1729 PolarHBondContact O-N 2.78Å |
| 1728 | T | 36.4 | Very low | 46.3 | Very low | 109 Ų | 109 | 106 Ų | 106 | 67% | 0.669 | 63% | 0.634 | S | S | * | * | trans | -80 | 81.8 | 178.7 | 37.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1729 | T | 33.5 | Very low | 43.9 | Very low | 127 Ų | 127 | 107.9 Ų | 107.9 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | trans | -146.7 | 88.2 | 149.1 | 36.3 | 0 | 0 | 0 | 0 | 110 | I1727 | I1727-T1729 PolarHBondContact O-N 2.78Š| ||
| 1730 | T | 34.5 | Very low | 41.8 | Very low | 149 Ų | 149 | 110 Ų | 110 | 91% | 0.914 | 66% | 0.662 | S | S | * | * | trans | 167.3 | 113.5 | 135.4 | 41.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1731 | N | 32.1 | Very low | 39.7 | Very low | 154 Ų | 154 | 115.2 Ų | 115.2 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | trans | -79.2 | 148.6 | 174.8 | -78.5 | -29.5 | 0 | 0 | 0 | 112 | ||||
| 1732 | T | 34.4 | Very low | 37.8 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 91% | 0.914 | 72% | 0.715 | S | S | * | * | -165.2 | 146.6 | 117.8 | 21.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1733 | I | 31.9 | Very low | 36.1 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | trans | -91.5 | 142 | -165.8 | -65.6 | 151.9 | 0 | 0 | 0 | 111.5 | ||||
| 1734 | I | 33.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -148.7 | 131.4 | 135 | -59.2 | -170.7 | 0 | 0 | 0 | 110.5 | ||||
| 1735 | T | 29.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -87.9 | 142.1 | 175.3 | 44.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1736 | S | 31.1 | Very low | 33.2 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -176.4 | 121 | 136.7 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1737 | T | 28.4 | Very low | 32.6 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | 3.7 | 128.8 | 148.1 | 56.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1738 | A | 29.9 | Very low | 32.1 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -161.1 | 132.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1739 | T | 28.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -83.8 | 167.5 | 171.1 | 38.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1740 | T | 29.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | trans | 82.3 | 99.9 | 161.8 | 20.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1741 | T | 26.9 | Very low | 33 | Very low | 123 Ų | 123 | 139 Ų | 139 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 47.9 | 127.6 | 128 | 56.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1742 | S | 27.8 | Very low | 33.5 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 94.2 | 134.7 | 148.1 | 84.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1743 | N | 30.2 | Very low | 34.1 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 79.7 | 77.4 | 166.8 | -57.9 | -14.9 | 0 | 0 | 0 | 117.8 | M1745 | N1743-M1745 VanDerWaalsContact C-N 3.31Å; N1743-M1745 PolarHBondContact O-N 2.89Å | ||
| 1744 | M | 33.2 | Very low | 35.1 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 99% | 0.985 | 75% | 0.749 | S | S | * | * | trans | -88.3 | 73 | 152.7 | -74.3 | -133.4 | 164.4 | 0 | 0 | 109.9 | ||||
| 1745 | M | 31.8 | Very low | 36.4 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | trans | -169.2 | 87.9 | 158.5 | -105.3 | -176.1 | -174.9 | 0 | 0 | 106.5 | N1743 | N1743-M1745 VanDerWaalsContact C-N 3.31Å; N1743-M1745 PolarHBondContact O-N 2.89Å | ||
| 1746 | D | 37 | Very low | 38 | Very low | 147 Ų | 147 | 124 Ų | 124 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | -67.5 | 134 | 162.5 | -92.5 | -29.7 | 0 | 0 | 0 | 108.4 | T1748 | D1746-T1748 PolarHBondContact O-N 3.42Š| ||
| 1747 | K | 38.2 | Very low | 39.8 | Very low | 212 Ų | 212 | 122 Ų | 122 | 92% | 0.922 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -65.3 | 18.7 | -170 | -75.8 | -177.4 | 173.6 | 179.8 | 0 | 115.6 | ||
| 1748 | T | 36 | Very low | 41.6 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 72% | 0.718 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -139.9 | 89.2 | 178 | 56.3 | 0 | 0 | 0 | 0 | 108.8 | D1746 H1750 | D1746-T1748 PolarHBondContact O-N 3.42Å; T1748-H1750 PolarHBondContact O-N 3.39Å |
| 1749 | G | 36 | Very low | 43.5 | Very low | 58 Ų | 58 | 116.7 Ų | 116.7 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | trans | -60.8 | 83.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1750 | H | 39.2 | Very low | 45.6 | Very low | 185 Ų | 185 | 111.1 Ų | 111.1 | 86% | 0.856 | 61% | 0.605 | S | S | * | * | trans | -127.3 | 111 | 167.1 | -92.1 | 21.3 | 0 | 0 | 0 | 110 | T1748 G1752 | T1748-H1750 PolarHBondContact O-N 3.39Å; H1750-G1752 PolarHBondContact O-N 3Å | ||
| 1751 | F | 46.8 | Very low | 47.8 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 52% | 0.522 | 60% | 0.602 | S | S | . | * | trans | -77.7 | 106.9 | 168.7 | -81.1 | -87.2 | 0 | 0 | 0 | 108.9 | P1636 T1637 L1754 | P1636-F1751 HydrophobicContact CG-CD2 4.11Å; T1637-F1751 HydrophobicContact CG2-CE2 4.48Å; F1751-L1754 HydrophobicContact CD1-CD1 4.05Å | ||
| 1752 | G | 43 | Very low | 50.1 | Low | 57 Ų | 57 | 108.9 Ų | 108.9 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | trans | -76.7 | 139.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1750 L1754 | H1750-G1752 PolarHBondContact O-N 3Å; G1752-L1754 WeakPolarHBondContact O-CD1 3.38Å; G1752-L1754 PolarHBondContact O-N 3.33Å; G1752-L1754 VanDerWaalsContact O-N 3.07Å | ||
| 1753 | K | 46.3 | Very low | 52.5 | Low | 182 Ų | 182 | 103.9 Ų | 103.9 | 79% | 0.791 | 55% | 0.548 | S | S | * | . | trans | -26.4 | 105.1 | -179.6 | -78.7 | -177 | 171.9 | -176.9 | 0 | 113.6 | ||||
| 1754 | L | 53.5 | Low | 54.9 | Low | 45 Ų | 45 | 103.5 Ų | 103.5 | 24% | 0.236 | 54% | 0.536 | C | S | . | . | trans | -90.8 | 131.2 | 175.3 | -85 | 100 | 0 | 0 | 0 | 110.1 | F1751 G1752 K1758 W1759 | F1751-L1754 HydrophobicContact CD1-CD1 4.05Å; G1752-L1754 WeakPolarHBondContact O-CD1 3.38Å; G1752-L1754 PolarHBondContact O-N 3.33Å; G1752-L1754 VanDerWaalsContact O-N 3.07Å; L1754-K1758 HydrophobicContact CD2-CB 3.97Å; L1754-K1758 HydrophobicContact CD2-CD 3.74Å; L1754-K1758 HydrophobicContact CG-CD 4.33Å; L1754-W1759 HydrophobicContact CB-CZ2 4.17Å | ||
| 1755 | S | 60.5 | Low | 57.2 | Low | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | trans | -63 | 143.9 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | S1757 K1758 | S1755-S1757 PolarHBondContact O-N 3.43Å; S1755-S1757 PolarHBondContact OG-OG 3.47Å; S1755-K1758 PolarHBondContact O-N 2.83Å | ||
| 1756 | K | 64.9 | Low | 59.6 | Low | 70 Ų | 70 | 89.8 Ų | 89.8 | 30% | 0.304 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -44.5 | -31.7 | 175.7 | -79.7 | -169.1 | 176.6 | -171.2 | 0 | 113.8 | D1723 I1724 K1758 W1759 I1760 | D1723-K1756 IonicContact OD2-NZ 3.2Å; D1723-K1756 PolarHBondContact OD2-NZ 2.84Å; D1723-K1756 VanDerWaalsContact OD2-NZ 3.16Å; I1724-K1756 HydrophobicContact CD1-CB 4.45Å; K1756-K1758 PolarHBondContact O-N 3.49Å; K1756-W1759 PolarHBondContact O-N 3.4Å; K1756-I1760 PolarHBondContact O-N 3.44Å |
| 1757 | S | 67.8 | Low | 61.8 | Low | 70 Ų | 70 | 84.3 Ų | 84.3 | 49% | 0.49 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 175.8 | 58 | 0 | 0 | 0 | 0 | 114.6 | S1755 I1760 E1761 | S1755-S1757 PolarHBondContact O-N 3.43Å; S1755-S1757 PolarHBondContact OG-OG 3.47Å; S1757-I1760 PolarHBondContact O-N 2.95Å; S1757-E1761 PolarHBondContact O-N 3.39Å |
| 1758 | K | 67 | Low | 63.9 | Low | 111 Ų | 111 | 77.8 Ų | 77.8 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.4 | -30.7 | 179.2 | -73.8 | -175.1 | 177.4 | -179.9 | 0 | 112.2 | L1754 S1755 K1756 E1761 C1762 | L1754-K1758 HydrophobicContact CD2-CB 3.97Å; L1754-K1758 HydrophobicContact CD2-CD 3.74Å; L1754-K1758 HydrophobicContact CG-CD 4.33Å; S1755-K1758 PolarHBondContact O-N 2.83Å; K1756-K1758 PolarHBondContact O-N 3.49Å; K1758-E1761 PolarHBondContact O-N 2.96Å; K1758-C1762 PolarHBondContact O-N 3.22Å; K1758-C1762 PolarHBondContact O-SG 3.45Å |
| 1759 | W | 69.8 | Low | 66 | Low | 20 Ų | 20 | 75.5 Ų | 75.5 | 8% | 0.076 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 173.3 | -69.7 | 118.8 | 0 | 0 | 0 | 111.6 | F1679 I1680 I1683 L1754 K1756 E1761 C1762 L1763 | F1679-W1759 HydrophobicContact CB-CD2 4.49Å; F1679-W1759 HydrophobicContact CB-CE3 4.33Å; I1680-W1759 HydrophobicContact CB-CH2 4.29Å; I1680-W1759 HydrophobicContact CD1-CH2 3.91Å; I1680-W1759 HydrophobicContact CD1-CZ2 4.04Å; I1680-W1759 HydrophobicContact CG1-CH2 3.09Å; I1680-W1759 HydrophobicContact CG1-CZ2 3.64Å; I1680-W1759 HydrophobicContact CG1-CZ3 3.83Å; I1683-W1759 HydrophobicContact CD1-CE3 3.47Å; I1683-W1759 VanDerWaalsContact CD1-CE3 3.47Å; I1683-W1759 HydrophobicContact CD1-CZ3 3.65Å; L1754-W1759 HydrophobicContact CB-CZ2 4.17Å; K1756-W1759 PolarHBondContact O-N 3.4Å; W1759-E1761 PolarHBondContact O-N 3.32Å; W1759-E1761 VanDerWaalsContact C-N 3.31Å; W1759-C1762 PolarHBondContact O-N 3.31Å; W1759-L1763 WeakPolarHBondContact O-CB 3.35Å; W1759-L1763 WeakPolarHBondContact O-CG 3.43Å; W1759-L1763 PolarHBondContact O-N 2.91Å |
| 1760 | I | 72.2 | Confident | 68.1 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.4 | -67.2 | 173.5 | 0 | 0 | 0 | 111.1 | L1717 L1720 I1724 K1756 S1757 L1763 R1764 | L1717-I1760 HydrophobicContact CD2-CB 4.48Å; L1717-I1760 HydrophobicContact CD2-CG2 3.94Å; L1720-I1760 HydrophobicContact CB-CD1 4.35Å; L1720-I1760 HydrophobicContact CB-CG1 4.24Å; I1724-I1760 HydrophobicContact CD1-CD1 3.17Å; I1724-I1760 HydrophobicContact CD1-CG1 4.5Å; I1724-I1760 HydrophobicContact CG1-CD1 4.2Å; K1756-I1760 PolarHBondContact O-N 3.44Å; S1757-I1760 PolarHBondContact O-N 2.95Å; I1760-L1763 PolarHBondContact O-N 3.35Å; I1760-R1764 WeakPolarHBondContact O-CB 3.49Å; I1760-R1764 PolarHBondContact O-N 3.47Å; I1760-R1764 WeakPolarHBondContact O-CG 3.43Å; I1760-R1764 VanDerWaalsContact O-CG 3.32Å; I1760-R1764 HydrophobicContact CG2-CG 4.45Å |
| 1761 | E | 76.7 | Confident | 70.1 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 66% | 0.659 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.5 | -41.7 | 177.1 | -167.3 | 165.5 | -164 | 0 | 0 | 112.1 | S1757 K1758 W1759 R1764 N1765 | S1757-E1761 PolarHBondContact O-N 3.39Å; K1758-E1761 PolarHBondContact O-N 2.96Å; W1759-E1761 PolarHBondContact O-N 3.32Å; W1759-E1761 VanDerWaalsContact C-N 3.31Å; E1761-R1764 PolarHBondContact O-N 2.88Å; E1761-N1765 PolarHBondContact O-N 3.14Å |
| 1762 | C | 74.8 | Confident | 71.6 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 173.4 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | I1683 K1758 W1759 R1764 N1765 V1766 | I1683-C1762 HydrophobicContact CD1-CB 4.16Å; K1758-C1762 PolarHBondContact O-N 3.22Å; K1758-C1762 PolarHBondContact O-SG 3.45Å; W1759-C1762 PolarHBondContact O-N 3.31Å; C1762-R1764 VanDerWaalsContact C-N 3.32Å; C1762-R1764 PolarHBondContact O-N 3.39Å; C1762-N1765 PolarHBondContact O-N 3.26Å; C1762-V1766 WeakPolarHBondContact O-CG2 3.29Å; C1762-V1766 PolarHBondContact O-N 2.89Å |
| 1763 | L | 77.8 | Confident | 73 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 177 | -74.4 | 171.1 | 0 | 0 | 0 | 111.9 | I1683 I1713 L1717 L1720 W1759 I1760 H1767 | I1683-L1763 HydrophobicContact CD1-CD2 4.03Å; I1683-L1763 HydrophobicContact CD1-CG 4.12Å; I1683-L1763 HydrophobicContact CG1-CD2 3.79Å; I1683-L1763 HydrophobicContact CG1-CG 4.43Å; I1713-L1763 HydrophobicContact CG2-CB 4.37Å; I1713-L1763 HydrophobicContact CG2-CD2 4.24Å; L1717-L1763 HydrophobicContact CD1-CB 4.48Å; L1717-L1763 HydrophobicContact CD2-CB 3.71Å; L1717-L1763 HydrophobicContact CD2-CD1 4.4Å; L1717-L1763 HydrophobicContact CG-CB 4.05Å; L1720-L1763 HydrophobicContact CD1-CD1 3.52Å; W1759-L1763 WeakPolarHBondContact O-CB 3.35Å; W1759-L1763 WeakPolarHBondContact O-CG 3.43Å; W1759-L1763 PolarHBondContact O-N 2.91Å; I1760-L1763 PolarHBondContact O-N 3.35Å; L1763-H1767 WeakPolarHBondContact O-CB 3.45Å; L1763-H1767 PolarHBondContact O-N 2.86Å |
| 1764 | R | 80.7 | Confident | 74.2 | Confident | 138 Ų | 138 | 62.3 Ų | 62.3 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 172.9 | -81.3 | -177.7 | -178.9 | 177.8 | 2.8 | 112.2 | L1717 I1760 E1761 C1762 V1766 H1767 D1768 | L1717-R1764 HydrophobicContact CD1-CG 4.27Å; L1717-R1764 HydrophobicContact CD2-CG 4.11Å; I1760-R1764 WeakPolarHBondContact O-CB 3.49Å; I1760-R1764 PolarHBondContact O-N 3.47Å; I1760-R1764 WeakPolarHBondContact O-CG 3.43Å; I1760-R1764 VanDerWaalsContact O-CG 3.32Å; I1760-R1764 HydrophobicContact CG2-CG 4.45Å; E1761-R1764 PolarHBondContact O-N 2.88Å; C1762-R1764 VanDerWaalsContact C-N 3.32Å; C1762-R1764 PolarHBondContact O-N 3.39Å; R1764-V1766 VanDerWaalsContact C-N 3.35Å; R1764-V1766 PolarHBondContact O-N 2.77Å; R1764-H1767 PolarHBondContact O-N 3.36Å; R1764-H1767 WeakPolarHBondContact O-CB 3.33Å; R1764-D1768 WeakPolarHBondContact O-CB 3.48Å; R1764-D1768 PolarHBondContact O-N 3.02Å |
| 1765 | N | 81.7 | Confident | 75 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 177.7 | -174 | 18.1 | 0 | 0 | 0 | 111.6 | E1761 C1762 D1768 R1769 | E1761-N1765 PolarHBondContact O-N 3.14Å; C1762-N1765 PolarHBondContact O-N 3.26Å; N1765-D1768 PolarHBondContact O-N 3.11Å; N1765-R1769 WeakPolarHBondContact O-CG 3.36Å; N1765-R1769 PolarHBondContact O-N 2.84Å |
| 1766 | V | 81.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | I1683 I1686 E1687 L1690 I1713 C1762 R1764 D1768 R1769 L1770 | I1683-V1766 HydrophobicContact CG2-CG2 4.36Å; I1686-V1766 HydrophobicContact CB-CG1 3.93Å; I1686-V1766 HydrophobicContact CD1-CG1 4.4Å; I1686-V1766 HydrophobicContact CG2-CG1 3.2Å; E1687-V1766 HydrophobicContact CG-CG2 4.16Å; E1687-V1766 WeakPolarHBondContact OE1-CG2 3.33Å; L1690-V1766 HydrophobicContact CD1-CG1 4.23Å; I1713-V1766 HydrophobicContact CD1-CG1 3.91Å; C1762-V1766 WeakPolarHBondContact O-CG2 3.29Å; C1762-V1766 PolarHBondContact O-N 2.89Å; R1764-V1766 VanDerWaalsContact C-N 3.35Å; R1764-V1766 PolarHBondContact O-N 2.77Å; V1766-D1768 PolarHBondContact O-N 3.33Å; V1766-R1769 PolarHBondContact O-N 3.42Å; V1766-L1770 HydrophobicContact CG1-CD1 4.05Å; V1766-L1770 PolarHBondContact O-N 2.88Å |
| 1767 | H | 83.6 | Confident | 76.3 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 174.7 | 178.1 | -77.8 | 0 | 0 | 0 | 111.7 | L1710 I1713 T1714 L1717 L1763 R1764 R1769 L1770 Q1771 | L1710-H1767 VanDerWaalsContact CD1-CD2 3.49Å; L1710-H1767 WeakPolarHBondContact CD1-CD2 3.26Å; L1710-H1767 WeakPolarHBondContact CD1-O 3.49Å; I1713-H1767 HydrophobicContact CG2-CB 4.01Å; T1714-H1767 PolarHBondContact OG1-NE2 2.82Å; T1714-H1767 VanDerWaalsContact OG1-NE2 3.17Å; L1717-H1767 HydrophobicContact CD1-CB 4.21Å; L1763-H1767 WeakPolarHBondContact O-CB 3.45Å; L1763-H1767 PolarHBondContact O-N 2.86Å; R1764-H1767 PolarHBondContact O-N 3.36Å; R1764-H1767 WeakPolarHBondContact O-CB 3.33Å; H1767-R1769 VanDerWaalsContact C-N 3.29Å; H1767-R1769 PolarHBondContact O-N 3.14Å; H1767-L1770 PolarHBondContact O-N 3.3Å; H1767-Q1771 WeakPolarHBondContact O-CB 3.32Å; H1767-Q1771 PolarHBondContact O-N 3.06Å |
| 1768 | D | 82.3 | Confident | 76.7 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -32.7 | 178.7 | -75.5 | -7.5 | 0 | 0 | 0 | 112.7 | R1764 N1765 V1766 R1772 | R1764-D1768 WeakPolarHBondContact O-CB 3.48Å; R1764-D1768 PolarHBondContact O-N 3.02Å; N1765-D1768 PolarHBondContact O-N 3.11Å; V1766-D1768 PolarHBondContact O-N 3.33Å; D1768-R1772 PolarHBondContact O-NE 3.29Å; D1768-R1772 VanDerWaalsContact O-N 3.14Å; D1768-R1772 PolarHBondContact O-N 3.06Å; D1768-R1772 WeakPolarHBondContact O-CG 3.37Å; D1768-R1772 WeakPolarHBondContact O-CB 3.33Å |
| 1769 | R | 81.3 | Confident | 77.3 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 26% | 0.26 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.3 | -41.5 | 174.4 | -74 | 173.8 | 61.2 | -168.4 | -7.3 | 112 | E1687 L1690 N1765 V1766 H1767 R1772 L1773 | E1687-R1769 IonicContact OE1-CZ 3.68Å; E1687-R1769 IonicContact OE1-NH1 3.42Å; E1687-R1769 PolarHBondContact OE1-NH1 3.49Å; E1687-R1769 IonicContact OE2-CZ 2.71Å; E1687-R1769 IonicContact OE2-NH1 3.08Å; E1687-R1769 PolarHBondContact OE2-NH1 3.27Å; E1687-R1769 IonicContact OE2-NH2 2.93Å; E1687-R1769 PolarHBondContact OE2-NH2 3.38Å; L1690-R1769 HydrophobicContact CD1-CB 3.8Å; N1765-R1769 WeakPolarHBondContact O-CG 3.36Å; N1765-R1769 PolarHBondContact O-N 2.84Å; V1766-R1769 PolarHBondContact O-N 3.42Å; H1767-R1769 VanDerWaalsContact C-N 3.29Å; H1767-R1769 PolarHBondContact O-N 3.14Å; R1769-R1772 WeakPolarHBondContact O-CB 3.48Å; R1769-R1772 PolarHBondContact O-N 2.96Å; R1769-L1773 PolarHBondContact O-N 2.65Å; R1769-L1773 VanDerWaalsContact O-N 3.11Å |
| 1770 | L | 79.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.8 | -79.7 | 166.5 | 0 | 0 | 0 | 111.7 | I1686 F1689 L1690 A1706 I1709 L1710 I1713 V1766 H1767 R1772 L1773 S1774 | I1686-L1770 HydrophobicContact CG2-CD1 3.73Å; I1686-L1770 HydrophobicContact CG2-CD2 4.42Å; I1686-L1770 HydrophobicContact CG2-CG 4.25Å; F1689-L1770 HydrophobicContact CD1-CD2 4.32Å; F1689-L1770 HydrophobicContact CE1-CD2 4.26Å; L1690-L1770 HydrophobicContact CD1-CG 4.37Å; L1690-L1770 HydrophobicContact CD2-CD2 3.79Å; L1690-L1770 HydrophobicContact CD2-CG 4.11Å; L1690-L1770 HydrophobicContact CG-CD2 4.4Å; A1706-L1770 HydrophobicContact CB-CD2 4.13Å; I1709-L1770 HydrophobicContact CB-CD1 4.36Å; I1709-L1770 HydrophobicContact CG2-CD1 3.65Å; L1710-L1770 HydrophobicContact CD1-CB 3.86Å; I1713-L1770 HydrophobicContact CD1-CD1 3.3Å; V1766-L1770 HydrophobicContact CG1-CD1 4.05Å; V1766-L1770 PolarHBondContact O-N 2.88Å; H1767-L1770 PolarHBondContact O-N 3.3Å; L1770-R1772 VanDerWaalsContact C-N 3.26Å; L1770-R1772 PolarHBondContact O-N 3.48Å; L1770-L1773 CarbonylContact O-C 3.59Å; L1770-L1773 PolarHBondContact O-N 3.25Å; L1770-S1774 WeakPolarHBondContact O-CB 3.45Å; L1770-S1774 PolarHBondContact O-N 2.81Å |
| 1771 | Q | 80.8 | Confident | 78.1 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -34.7 | 176.3 | -167.7 | 176.4 | 19 | 0 | 0 | 111.7 | L1710 H1767 L1773 R1775 | L1710-Q1771 HydrophobicContact CD1-CB 4.18Å; L1710-Q1771 HydrophobicContact CD2-CB 4.4Å; H1767-Q1771 WeakPolarHBondContact O-CB 3.32Å; H1767-Q1771 PolarHBondContact O-N 3.06Å; Q1771-L1773 VanDerWaalsContact C-N 3.31Å; Q1771-R1775 WeakPolarHBondContact O-CG 3.44Å; Q1771-R1775 PolarHBondContact O-N 3.36Å; Q1771-R1775 VanDerWaalsContact O-N 3.14Å |
| 1772 | R | 79.1 | Confident | 78.2 | Confident | 170 Ų | 170 | 72.1 Ų | 72.1 | 64% | 0.642 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.7 | -24.8 | 172.2 | -88.1 | -176.6 | -94.5 | 178 | -11.4 | 114.2 | D1768 R1769 L1770 | D1768-R1772 PolarHBondContact O-NE 3.29Å; D1768-R1772 VanDerWaalsContact O-N 3.14Å; D1768-R1772 PolarHBondContact O-N 3.06Å; D1768-R1772 WeakPolarHBondContact O-CG 3.37Å; D1768-R1772 WeakPolarHBondContact O-CB 3.33Å; R1769-R1772 WeakPolarHBondContact O-CB 3.48Å; R1769-R1772 PolarHBondContact O-N 2.96Å; L1770-R1772 VanDerWaalsContact C-N 3.26Å; L1770-R1772 PolarHBondContact O-N 3.48Å |
| 1773 | L | 72.1 | Confident | 78.5 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -91 | -24.6 | 179.2 | -161.5 | 135.8 | 0 | 0 | 0 | 112.3 | L1690 R1702 A1706 R1769 L1770 Q1771 | L1690-L1773 HydrophobicContact CD2-CD1 4.04Å; R1702-L1773 HydrophobicContact CG-CD2 4.48Å; A1706-L1773 HydrophobicContact CB-CD2 4.05Å; R1769-L1773 PolarHBondContact O-N 2.65Å; R1769-L1773 VanDerWaalsContact O-N 3.11Å; L1770-L1773 CarbonylContact O-C 3.59Å; L1770-L1773 PolarHBondContact O-N 3.25Å; Q1771-L1773 VanDerWaalsContact C-N 3.31Å |
| 1774 | S | 70.1 | Confident | 78.6 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.1 | -37.1 | 171.5 | 161.4 | 0 | 0 | 0 | 0 | 112.4 | M1703 D1707 L1770 | M1703-S1774 VanDerWaalsContact CE-O 3.29Å; M1703-S1774 WeakPolarHBondContact CE-O 3.44Å; D1707-S1774 VanDerWaalsContact OD1-CB 3.25Å; D1707-S1774 WeakPolarHBondContact OD1-CB 3.43Å; D1707-S1774 PolarHBondContact OD1-OG 3.17Å; L1770-S1774 WeakPolarHBondContact O-CB 3.45Å; L1770-S1774 PolarHBondContact O-N 2.81Å |
| 1775 | R | 70.1 | Confident | 78.4 | Confident | 235 Ų | 235 | 74.4 Ų | 74.4 | 89% | 0.887 | 33% | 0.327 | S | S | * | . | trans | -71.9 | 0 | 169.5 | -73.1 | -178.7 | -178.4 | -177.1 | 3.7 | 111.5 | Q1771 | Q1771-R1775 WeakPolarHBondContact O-CG 3.44Å; Q1771-R1775 PolarHBondContact O-N 3.36Å; Q1771-R1775 VanDerWaalsContact O-N 3.14Å |
Retrieved 1,775 of 1,775 residues in 2993.9 ms
(Link to these results)