| 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 | 34.3 | Very low | 69.2 | Low | 195 Ų | 195 | 65 Ų | 65 | 96% | 0.961 | 32% | 0.324 | S | S | * | . | 0 | 125.8 | 0 | -81.5 | 173.3 | 169.4 | 0 | 0 | 109.9 | T3 | M1-T3 PolarHBondContact O-N 2.97Š| |||
| 2 | K | 47.1 | Very low | 69.7 | Low | 206 Ų | 206 | 62 Ų | 62 | 90% | 0.896 | 31% | 0.308 | S | S | * | . | trans | -63.1 | 127.4 | 165.6 | -75.5 | 178.2 | 177.7 | 175.4 | 0 | 107 | ||||
| 3 | T | 59.7 | Low | 70.3 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 27% | 0.27 | 29% | 0.286 | S | S | . | . | trans | -70.4 | 131.9 | 173.8 | 41.4 | 0 | 0 | 0 | 0 | 109.1 | M1 E5 R885 | M1-T3 PolarHBondContact O-N 2.97Å; T3-E5 PolarHBondContact O-N 3.4Å; T3-R885 PolarHBondContact OG1-NH1 2.78Å | ||
| 4 | V | 70.4 | Confident | 70.1 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -63.6 | -27.8 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | T6 P27 L32 | V4-T6 PolarHBondContact O-N 3.38Å; V4-P27 HydrophobicContact CG1-CB 4.07Å; V4-P27 HydrophobicContact CG1-CG 4.47Å; V4-L32 HydrophobicContact CB-CD2 4.11Å; V4-L32 HydrophobicContact CG1-CD2 3.9Å |
| 5 | E | 74.5 | Confident | 69.2 | Low | 29 Ų | 29 | 64.6 Ų | 64.6 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -62 | 129.5 | 177.1 | -61 | -174.4 | 118.8 | 0 | 0 | 112.5 | T3 L32 F784 R938 | T3-E5 PolarHBondContact O-N 3.4Å; E5-L32 HydrophobicContact CG-CD2 3.83Å; E5-F784 HydrophobicContact CB-CB 4.42Å; E5-F784 HydrophobicContact CB-CD1 3.44Å; E5-F784 VanDerWaalsContact CB-CD1 3.44Å; E5-F784 HydrophobicContact CB-CE1 3.81Å; E5-F784 HydrophobicContact CB-CG 3.99Å; E5-F784 HydrophobicContact CG-CD1 4.35Å; E5-F784 WeakPolarHBondContact OE2-CZ 3.47Å; E5-R938 IonicContact OE1-CZ 3.95Å; E5-R938 VanDerWaalsContact OE1-CZ 3.28Å; E5-R938 IonicContact OE1-NH1 3.56Å; E5-R938 PolarHBondContact OE1-NH1 3.34Å; E5-R938 IonicContact OE1-NH2 3.65Å; E5-R938 PolarHBondContact OE1-NH2 3.47Å |
| 6 | T | 79.2 | Confident | 68 | Low | 41 Ų | 41 | 72.2 Ų | 72.2 | 25% | 0.252 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 150.6 | 178 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | V4 D785 | V4-T6 PolarHBondContact O-N 3.38Å; T6-D785 PolarHBondContact O-N 3.37Å |
| 7 | L | 82.3 | Confident | 66.7 | Low | 32 Ų | 32 | 78.6 Ų | 78.6 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 153.1 | 172.1 | -64.4 | 170.6 | 0 | 0 | 0 | 110 | H9 H12 L783 I814 K816 | L7-H9 PolarHBondContact O-N 2.91Å; L7-H12 PolarHBondContact O-CE1 2.92Å; L7-L783 WeakPolarHBondContact CD2-O 3.45Å; L7-I814 HydrophobicContact CD2-CB 3.97Å; L7-K816 HydrophobicContact CD1-CD 4.43Å; L7-K816 HydrophobicContact CD1-CG 3.45Å; L7-K816 VanDerWaalsContact CD1-CG 3.45Å |
| 8 | P | 80.9 | Confident | 65.2 | Low | 7 Ų | 7 | 78.5 Ų | 78.5 | 5% | 0.045 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 125 | 173.4 | -21.1 | 31.7 | 0 | 0 | 0 | 111.2 | W782 D785 M828 | P8-W782 HydrophobicContact CB-CD2 3.95Å; P8-W782 HydrophobicContact CB-CE3 3.95Å; P8-W782 HydrophobicContact CB-CH2 3.66Å; P8-W782 HydrophobicContact CB-CZ2 3.64Å; P8-W782 HydrophobicContact CB-CZ3 3.81Å; P8-W782 HydrophobicContact CG-CD2 3.5Å; P8-W782 VanDerWaalsContact CG-CE2 3.47Å; P8-W782 HydrophobicContact CG-CE3 3.93Å; P8-W782 HydrophobicContact CG-CG 3.88Å; P8-W782 HydrophobicContact CG-CH2 4.29Å; P8-W782 HydrophobicContact CG-CZ2 3.89Å; P8-W782 HydrophobicContact CG-CZ3 4.3Å; P8-D785 HydrophobicContact CG-CB 4.47Å; P8-M828 HydrophobicContact CB-CE 3.94Å; P8-M828 HydrophobicContact CG-CE 4.22Å |
| 9 | H | 80 | Confident | 63.7 | Low | 59 Ų | 59 | 81.5 Ų | 81.5 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | trans | -132.9 | 146.1 | 178.6 | -160.7 | -100 | 0 | 0 | 0 | 110.5 | L7 D11 H12 Y13 | L7-H9 PolarHBondContact O-N 2.91Å; H9-D11 IonicContact CE1-OD2 3.58Å; H9-D11 PolarHBondContact CE1-OD2 2.94Å; H9-D11 PolarHBondContact ND1-N 3.1Å; H9-D11 IonicContact ND1-OD2 3.35Å; H9-D11 PolarHBondContact ND1-OD2 2.97Å; H9-D11 PolarHBondContact O-N 2.99Å; H9-D11 VanDerWaalsContact O-N 3.17Å; H9-H12 PolarHBondContact O-N 3.46Å; H9-H12 VanDerWaalsContact O-N 3.14Å; H9-Y13 WeakPolarHBondContact O-CD2 3.41Å | ||
| 10 | I | 77.6 | Confident | 62.1 | Low | 24 Ų | 24 | 83.3 Ų | 83.3 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -57.8 | -33.2 | -178.5 | -169.5 | 165.9 | 0 | 0 | 0 | 112.8 | H12 Y13 R14 L831 K834 F947 | I10-H12 VanDerWaalsContact C-N 3.3Å; I10-H12 PolarHBondContact O-N 3.21Å; I10-Y13 PolarHBondContact O-N 3.47Å; I10-Y13 VanDerWaalsContact O-N 3.15Å; I10-R14 PolarHBondContact O-N 3.4Å; I10-L831 HydrophobicContact CB-CD1 4.2Å; I10-L831 HydrophobicContact CG1-CD1 4.05Å; I10-K834 HydrophobicContact CD1-CD 3.81Å; I10-F947 HydrophobicContact CD1-CE1 4.49Å; I10-F947 HydrophobicContact CD1-CZ 4.44Å; I10-F947 HydrophobicContact CG1-CE1 3.83Å; I10-F947 HydrophobicContact CG1-CZ 3.91Å |
| 11 | D | 74.9 | Confident | 60.6 | Low | 48 Ų | 48 | 85.3 Ų | 85.3 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -70.6 | -23.3 | -177.6 | -61.4 | -35.8 | 0 | 0 | 0 | 113.3 | H9 Y13 R14 | H9-D11 IonicContact CE1-OD2 3.58Å; H9-D11 PolarHBondContact CE1-OD2 2.94Å; H9-D11 PolarHBondContact ND1-N 3.1Å; H9-D11 IonicContact ND1-OD2 3.35Å; H9-D11 PolarHBondContact ND1-OD2 2.97Å; H9-D11 PolarHBondContact O-N 2.99Å; H9-D11 VanDerWaalsContact O-N 3.17Å; D11-Y13 PolarHBondContact O-N 2.92Å; D11-R14 VanDerWaalsContact O-CA 3.26Å; D11-R14 WeakPolarHBondContact O-CA 3.22Å; D11-R14 PolarHBondContact O-N 3.33Å; D11-R14 WeakPolarHBondContact OD1-CD 3.49Å; D11-R14 IonicContact OD1-CZ 3.76Å; D11-R14 IonicContact OD1-NE 3.9Å; D11-R14 IonicContact OD1-NH1 2.9Å |
| 12 | H | 75.1 | Confident | 60.6 | Low | 29 Ų | 29 | 82.5 Ų | 82.5 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -68.9 | -17 | 173.9 | -55.6 | 164.5 | 0 | 0 | 0 | 112.6 | L7 H9 I10 D785 | L7-H12 PolarHBondContact O-CE1 2.92Å; H9-H12 PolarHBondContact O-N 3.46Å; H9-H12 VanDerWaalsContact O-N 3.14Å; I10-H12 VanDerWaalsContact C-N 3.3Å; I10-H12 PolarHBondContact O-N 3.21Å; H12-D785 WeakPolarHBondContact CB-OD2 3.33Å; H12-D785 IonicContact CE1-OD2 2.97Å; H12-D785 IonicContact CG-OD2 3.96Å; H12-D785 IonicContact ND1-OD2 3.79Å; H12-D785 PolarHBondContact ND1-OD2 2.93Å |
| 13 | Y | 77.6 | Confident | 60.3 | Low | 5 Ų | 5 | 80.6 Ų | 80.6 | 2% | 0.02 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -104.1 | 6.8 | 175.1 | -57.8 | -84.5 | 0 | 0 | 0 | 112.1 | H9 I10 D11 R26 W782 D785 G787 G788 L831 F835 L945 Y948 | H9-Y13 WeakPolarHBondContact O-CD2 3.41Å; I10-Y13 PolarHBondContact O-N 3.47Å; I10-Y13 VanDerWaalsContact O-N 3.15Å; D11-Y13 PolarHBondContact O-N 2.92Å; Y13-R26 PolarHBondContact OH-NH2 2.89Å; Y13-W782 HydrophobicContact CE2-CH2 4.17Å; Y13-W782 HydrophobicContact CE2-CZ2 4.38Å; Y13-W782 WeakPolarHBondContact OH-CZ2 3.5Å; Y13-D785 PolarHBondContact OH-OD1 2.9Å; Y13-G787 VanDerWaalsContact OH-C 3.23Å; Y13-G788 PolarHBondContact OH-N 2.97Å; Y13-G788 VanDerWaalsContact OH-N 3.09Å; Y13-L831 HydrophobicContact CD2-CD1 4.34Å; Y13-F835 HydrophobicContact CD1-CE1 4.24Å; Y13-F835 AromaticContact CD1-CZ 3.67Å; Y13-F835 HydrophobicContact CD1-CZ 3.67Å; Y13-F835 AromaticContact CD2-CZ 3.89Å; Y13-F835 HydrophobicContact CD2-CZ 3.89Å; Y13-F835 HydrophobicContact CE1-CZ 4.03Å; Y13-F835 HydrophobicContact CE2-CZ 4.29Å; Y13-F835 HydrophobicContact CG-CE1 4.25Å; Y13-F835 AromaticContact CG-CZ 3.58Å; Y13-F835 HydrophobicContact CG-CZ 3.58Å; Y13-L945 WeakPolarHBondContact CD1-O 3.43Å; Y13-Y948 WeakPolarHBondContact O-CE2 3.24Å |
| 14 | R | 67.5 | Low | 60 | Low | 128 Ų | 128 | 83.1 Ų | 83.1 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -44.7 | 129.3 | 154.3 | -22.4 | 172.8 | 174.3 | 173.6 | 0.7 | 118.5 | I10 D11 M16 F947 Y948 | I10-R14 PolarHBondContact O-N 3.4Å; D11-R14 VanDerWaalsContact O-CA 3.26Å; D11-R14 WeakPolarHBondContact O-CA 3.22Å; D11-R14 PolarHBondContact O-N 3.33Å; D11-R14 WeakPolarHBondContact OD1-CD 3.49Å; D11-R14 IonicContact OD1-CZ 3.76Å; D11-R14 IonicContact OD1-NE 3.9Å; D11-R14 IonicContact OD1-NH1 2.9Å; R14-M16 PolarHBondContact O-N 3.41Å; R14-F947 HydrophobicContact CG-CE2 4.44Å; R14-F947 HydrophobicContact CG-CZ 3.81Å; R14-Y948 VanDerWaalsContact C-OH 3.27Å; R14-Y948 WeakPolarHBondContact CA-OH 3.33Å; R14-Y948 WeakPolarHBondContact CB-OH 3.41Å; R14-Y948 WeakPolarHBondContact CG-OH 3.4Å |
| 15 | N | 56.6 | Low | 59.6 | Low | 92 Ų | 92 | 85.8 Ų | 85.8 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | trans | -69.8 | 116.3 | 167.5 | -168.3 | -3.1 | 0 | 0 | 0 | 109.3 | M17 Y948 | N15-M17 PolarHBondContact O-N 2.83Å; N15-M17 VanDerWaalsContact O-N 3.09Å; N15-Y948 HydrophobicContact CB-CD2 4.44Å; N15-Y948 HydrophobicContact CB-CE2 3.93Å; N15-Y948 VanDerWaalsContact N-CZ 3.34Å; N15-Y948 PolarHBondContact N-OH 3.42Å | ||
| 16 | M | 50.9 | Low | 59.5 | Low | 186 Ų | 186 | 86 Ų | 86 | 92% | 0.916 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -9.8 | -176.6 | -83.2 | -171.2 | -102.5 | 0 | 0 | 114.5 | R14 | R14-M16 PolarHBondContact O-N 3.41Š|
| 17 | M | 44.7 | Very low | 59.5 | Low | 181 Ų | 181 | 84.1 Ų | 84.1 | 89% | 0.892 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 0.6 | -174.9 | -75.1 | -122.5 | -93.9 | 0 | 0 | 115.6 | N15 | N15-M17 PolarHBondContact O-N 2.83Å; N15-M17 VanDerWaalsContact O-N 3.09Å |
| 18 | S | 40.3 | Very low | 59.4 | Low | 77 Ų | 77 | 86.1 Ų | 86.1 | 54% | 0.538 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -120.4 | 117.5 | 176.3 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 19 | V | 37 | Very low | 59.4 | Low | 135 Ų | 135 | 85.9 Ų | 85.9 | 82% | 0.818 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 92.7 | 104.3 | 176.1 | -165.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 20 | V | 31 | Very low | 59.3 | Low | 118 Ų | 118 | 86 Ų | 86 | 72% | 0.715 | 47% | 0.467 | S | S | * | . | trans | -46.8 | 137.2 | 163.8 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | N | 30.8 | Very low | 59.5 | Low | 126 Ų | 126 | 85.9 Ų | 85.9 | 67% | 0.674 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 88.3 | 114.5 | 166.1 | -64.7 | -20.3 | 0 | 0 | 0 | 119.6 | ||
| 22 | V | 35.2 | Very low | 59.7 | Low | 135 Ų | 135 | 84.1 Ų | 84.1 | 82% | 0.818 | 46% | 0.457 | S | S | * | . | trans | 64.8 | 71.5 | 143.8 | -163.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 23 | F | 40.9 | Very low | 59.9 | Low | 167 Ų | 167 | 83 Ų | 83 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | trans | -132.1 | 138.3 | 157.8 | -70.6 | -77.1 | 0 | 0 | 0 | 111.1 | S25 | F23-S25 PolarHBondContact O-N 3.44Å; F23-S25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | S | 53.1 | Low | 59.8 | Low | 97 Ų | 97 | 87.1 Ų | 87.1 | 68% | 0.678 | 47% | 0.471 | S | S | * | . | trans | -62.2 | 113.1 | 179.9 | 57 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 25 | S | 60.7 | Low | 59.8 | Low | 86 Ų | 86 | 82.1 Ų | 82.1 | 60% | 0.601 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -66 | 145.6 | 173.5 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | F23 | F23-S25 PolarHBondContact O-N 3.44Å; F23-S25 VanDerWaalsContact O-N 3.16Å |
| 26 | R | 73.7 | Confident | 60.1 | Low | 33 Ų | 33 | 81.9 Ų | 81.9 | 13% | 0.125 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 134.6 | 168.8 | 175.7 | -167.2 | -76.5 | 159.2 | 1.5 | 109.1 | Y13 D785 G787 Q941 S943 | Y13-R26 PolarHBondContact OH-NH2 2.89Å; R26-D785 IonicContact CZ-OD1 3.05Å; R26-D785 IonicContact CZ-OD2 3.92Å; R26-D785 IonicContact NE-OD1 3.8Å; R26-D785 IonicContact NE-OD2 2.73Å; R26-D785 PolarHBondContact NE-OD2 2.88Å; R26-D785 VanDerWaalsContact NH2-CG 3.27Å; R26-D785 IonicContact NH2-OD1 3.66Å; R26-D785 PolarHBondContact NH2-OD1 3.08Å; R26-D785 IonicContact NH2-OD2 2.76Å; R26-D785 PolarHBondContact NH2-OD2 3.4Å; R26-G787 VanDerWaalsContact NH1-CA 3.32Å; R26-Q941 VanDerWaalsContact CD-O 3.25Å; R26-Q941 WeakPolarHBondContact CD-O 3.46Å; R26-Q941 VanDerWaalsContact CD-OE1 3.24Å; R26-Q941 PolarHBondContact NH1-O 3.01Å; R26-S943 PolarHBondContact NH1-OG 3.31Å; R26-S943 VanDerWaalsContact NH1-OG 3.11Å |
| 27 | P | 78.3 | Confident | 60.3 | Low | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.013 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -66 | 141.5 | 176.3 | 28.7 | -35.4 | 0 | 0 | 0 | 110.8 | V4 E31 L32 Q941 | V4-P27 HydrophobicContact CG1-CB 4.07Å; V4-P27 HydrophobicContact CG1-CG 4.47Å; P27-E31 VanDerWaalsContact CA-OE2 3.25Å; P27-E31 WeakPolarHBondContact CA-OE2 3.43Å; P27-E31 HydrophobicContact CB-CB 4.37Å; P27-L32 HydrophobicContact CB-CD2 4.06Å; P27-L32 HydrophobicContact CB-CG 4.07Å; P27-L32 HydrophobicContact CG-CD1 4.27Å; P27-L32 HydrophobicContact CG-CD2 3.72Å; P27-L32 HydrophobicContact CG-CG 4.04Å; P27-Q941 WeakPolarHBondContact O-CG 3.44Å |
| 28 | T | 80.2 | Confident | 60.1 | Low | 74 Ų | 74 | 73.6 Ų | 73.6 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 160.5 | 173.7 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | D30 E31 L32 | T28-D30 PolarHBondContact O-N 3.31Å; T28-E31 PolarHBondContact N-OE2 3.19Å; T28-E31 PolarHBondContact O-N 2.86Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.45Å; T28-E31 PolarHBondContact OG1-N 2.93Å; T28-E31 PolarHBondContact OG1-OE2 3.48Å; T28-L32 WeakPolarHBondContact O-CG 3.32Å; T28-L32 PolarHBondContact O-N 3.29Å; T28-L32 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 80.6 | Confident | 59.9 | Low | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.01 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.1 | -35.6 | 177.6 | -175.2 | 63.9 | 0 | 0 | 0 | 112 | L32 R33 F684 Q941 | L29-L32 PolarHBondContact O-N 3.14Å; L29-R33 VanDerWaalsContact O-CG 3.3Å; L29-R33 WeakPolarHBondContact O-CG 3.47Å; L29-R33 PolarHBondContact O-N 3.41Å; L29-R33 VanDerWaalsContact O-N 3.1Å; L29-F684 HydrophobicContact CD1-CD1 3.97Å; L29-F684 HydrophobicContact CD1-CE1 4.33Å; L29-F684 HydrophobicContact CD2-CB 3.99Å; L29-F684 HydrophobicContact CD2-CD1 3.77Å; L29-F684 HydrophobicContact CD2-CG 4.31Å; L29-F684 VanDerWaalsContact CD2-O 3.22Å; L29-F684 WeakPolarHBondContact CD2-O 3.18Å; L29-F684 HydrophobicContact CG-CD1 4.42Å; L29-Q941 HydrophobicContact CB-CG 4.46Å |
| 30 | D | 79.2 | Confident | 59.7 | Low | 60 Ų | 60 | 75 Ų | 75 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 176.6 | -71.5 | -40.2 | 0 | 0 | 0 | 112.4 | T28 L32 R33 E34 | T28-D30 PolarHBondContact O-N 3.31Å; D30-L32 PolarHBondContact O-N 3.3Å; D30-R33 PolarHBondContact O-N 3.27Å; D30-R33 IonicContact OD1-NH1 2.66Å; D30-E34 WeakPolarHBondContact O-CG 3.32Å; D30-E34 PolarHBondContact O-N 3.19Å |
| 31 | E | 80.9 | Confident | 59.7 | Low | 23 Ų | 23 | 79.8 Ų | 79.8 | 11% | 0.107 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59 | -35 | 172.8 | -74.7 | 175.3 | 133.6 | 0 | 0 | 112.2 | P27 T28 G35 H37 | P27-E31 VanDerWaalsContact CA-OE2 3.25Å; P27-E31 WeakPolarHBondContact CA-OE2 3.43Å; P27-E31 HydrophobicContact CB-CB 4.37Å; T28-E31 PolarHBondContact N-OE2 3.19Å; T28-E31 PolarHBondContact O-N 2.86Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.45Å; T28-E31 PolarHBondContact OG1-N 2.93Å; T28-E31 PolarHBondContact OG1-OE2 3.48Å; E31-G35 PolarHBondContact O-N 3.08Å; E31-H37 IonicContact OE1-CE1 3.63Å; E31-H37 IonicContact OE1-CG 3.17Å; E31-H37 IonicContact OE1-ND1 2.74Å; E31-H37 PolarHBondContact OE1-ND1 2.96Å; E31-H37 IonicContact OE2-ND1 3.61Å |
| 32 | L | 79.6 | Confident | 59.6 | Low | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.052 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -70.4 | -33.5 | 176.1 | -69.4 | 170.2 | 0 | 0 | 0 | 112.8 | V4 E5 P27 T28 L29 D30 Q941 | V4-L32 HydrophobicContact CB-CD2 4.11Å; V4-L32 HydrophobicContact CG1-CD2 3.9Å; E5-L32 HydrophobicContact CG-CD2 3.83Å; P27-L32 HydrophobicContact CB-CD2 4.06Å; P27-L32 HydrophobicContact CB-CG 4.07Å; P27-L32 HydrophobicContact CG-CD1 4.27Å; P27-L32 HydrophobicContact CG-CD2 3.72Å; P27-L32 HydrophobicContact CG-CG 4.04Å; T28-L32 WeakPolarHBondContact O-CG 3.32Å; T28-L32 PolarHBondContact O-N 3.29Å; T28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 3.14Å; D30-L32 PolarHBondContact O-N 3.3Å; L32-Q941 HydrophobicContact CD1-CG 3.98Å |
| 33 | R | 78.6 | Confident | 59.2 | Low | 7 Ų | 7 | 81.7 Ų | 81.7 | 3% | 0.026 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -77.3 | -35 | 177.3 | -72 | 173.4 | 74.9 | -153.9 | 6.7 | 112.2 | L29 D30 D681 A685 V909 R911 K912 | L29-R33 VanDerWaalsContact O-CG 3.3Å; L29-R33 WeakPolarHBondContact O-CG 3.47Å; L29-R33 PolarHBondContact O-N 3.41Å; L29-R33 VanDerWaalsContact O-N 3.1Å; D30-R33 PolarHBondContact O-N 3.27Å; D30-R33 IonicContact OD1-NH1 2.66Å; R33-D681 IonicContact CZ-OD1 3.06Å; R33-D681 IonicContact NE-OD1 2.89Å; R33-D681 PolarHBondContact NE-OD1 3.13Å; R33-D681 IonicContact NH2-OD1 3.73Å; R33-D681 PolarHBondContact NH2-OD1 3.29Å; R33-D681 IonicContact NH2-OD2 3.76Å; R33-D681 PolarHBondContact NH2-OD2 2.87Å; R33-D681 VanDerWaalsContact NH2-OD2 3.11Å; R33-A685 VanDerWaalsContact NH1-CA 3.32Å; R33-V909 HydrophobicContact CG-CG1 3.83Å; R33-R911 CarbonylContact O-C 3.54Å; R33-R911 WeakPolarHBondContact O-CA 3.37Å; R33-K912 HydrophobicContact CB-CG 4.34Å; R33-K912 VanDerWaalsContact NH2-CE 3.34Å; R33-K912 PolarHBondContact O-N 3.28Å |
| 34 | E | 76.1 | Confident | 58.6 | Low | 90 Ų | 90 | 81 Ų | 81 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -84.3 | -22.3 | 178.6 | -68.8 | 177.6 | -174.7 | 0 | 0 | 112.8 | D30 T36 K912 | D30-E34 WeakPolarHBondContact O-CG 3.32Å; D30-E34 PolarHBondContact O-N 3.19Å; E34-T36 PolarHBondContact O-N 3.49Å; E34-K912 IonicContact OE1-NZ 3.15Å |
| 35 | G | 67.6 | Low | 57.3 | Low | 23 Ų | 23 | 85.3 Ų | 85.3 | 24% | 0.237 | 46% | 0.456 | C | S | . | . | S | Bend | trans | 75.9 | 7.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E31 | E31-G35 PolarHBondContact O-N 3.08Š|
| 36 | T | 63.1 | Low | 55.7 | Low | 87 Ų | 87 | 84.7 Ų | 84.7 | 53% | 0.534 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -136.3 | 145.7 | -178.6 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | E34 | E34-T36 PolarHBondContact O-N 3.49Š|
| 37 | H | 53.9 | Low | 53.5 | Low | 128 Ų | 128 | 91.8 Ų | 91.8 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | trans | -78.3 | 120.2 | 170.5 | -77.2 | -70.9 | 0 | 0 | 0 | 110.1 | E31 | E31-H37 IonicContact OE1-CE1 3.63Å; E31-H37 IonicContact OE1-CG 3.17Å; E31-H37 IonicContact OE1-ND1 2.74Å; E31-H37 PolarHBondContact OE1-ND1 2.96Å; E31-H37 IonicContact OE2-ND1 3.61Å | ||
| 38 | S | 41.5 | Very low | 50.9 | Low | 66 Ų | 66 | 96.7 Ų | 96.7 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | trans | -104.9 | 136.7 | 178.5 | 58 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 39 | P | 37.1 | Very low | 48.3 | Very low | 111 Ų | 111 | 105 Ų | 105 | 72% | 0.721 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146.3 | 174 | 28.8 | -32.2 | 0 | 0 | 0 | 111.6 | F41 | P39-F41 PolarHBondContact O-N 3.34Š|
| 40 | P | 32.5 | Very low | 45.7 | Very low | 131 Ų | 131 | 113.3 Ų | 113.3 | 85% | 0.851 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 120.6 | -172.8 | 30.2 | -32.1 | 0 | 0 | 0 | 111.1 | ||
| 41 | F | 30.1 | Very low | 43.1 | Very low | 217 Ų | 217 | 121.6 Ų | 121.6 | 95% | 0.952 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 137 | 176.5 | -131.3 | -90.7 | 0 | 0 | 0 | 111.9 | P39 | P39-F41 PolarHBondContact O-N 3.34Š|
| 42 | R | 28.4 | Very low | 40.5 | Very low | 237 Ų | 237 | 126.3 Ų | 126.3 | 89% | 0.894 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 126.4 | -172.3 | -173.1 | -178.2 | -170.8 | 177.2 | 2.4 | 110.2 | ||
| 43 | G | 27 | Very low | 37.9 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | trans | 90.5 | 121.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 44 | E | 28.2 | Very low | 35.5 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 103 | 107.1 | 126 | -66.3 | -159.9 | 134.4 | 0 | 0 | 122.3 | |||||
| 45 | K | 26.1 | Very low | 33 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | 56.9 | 123.8 | 117 | -63 | 173.8 | -176.3 | 160.3 | 0 | 119.3 | |||||
| 46 | G | 27.3 | Very low | 31.2 | Very low | 74 Ų | 74 | 149.1 Ų | 149.1 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -177.7 | 80.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 47 | L | 27.5 | Very low | 29.6 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 95% | 0.948 | 78% | 0.782 | S | S | * | * | trans | 62.4 | 125.4 | 139.9 | -111.2 | 73.6 | 0 | 0 | 0 | 124.6 | ||||
| 48 | S | 24.1 | Very low | 28.3 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -63.8 | 151.2 | 166.2 | 172.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 49 | R | 25.7 | Very low | 27.7 | Very low | 248 Ų | 248 | 152 Ų | 152 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -152.1 | 145.7 | 144.4 | -157.8 | 165.4 | 154.5 | 158.8 | -6.8 | 114.2 | ||||
| 50 | K | 25.4 | Very low | 27.1 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 77% | 0.774 | 81% | 0.814 | S | S | * | * | trans | -79.9 | 153.2 | -162.2 | -78.4 | 169.4 | 169.9 | 171.9 | 0 | 117.6 | ||||
| 51 | R | 25.2 | Very low | 27.1 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | 31.3 | 137.8 | 132.1 | -70.2 | -179.9 | 171.6 | 166.7 | -2.6 | 120.4 | ||||
| 52 | S | 26.3 | Very low | 26.9 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | -172 | 155 | 103.9 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 53 | T | 25.2 | Very low | 26.9 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | -77.9 | 158.5 | -172.9 | 21.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 54 | L | 27.3 | Very low | 27.1 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -149.1 | 123.3 | 149.1 | -152.3 | 76.7 | 0 | 0 | 0 | 111.6 | I56 | L54-I56 HydrophobicContact CD2-CD1 4.26Å; L54-I56 HydrophobicContact CD2-CG1 4.46Å | ||
| 55 | E | 24.5 | Very low | 27.4 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -85.7 | 142.2 | 167.8 | -67.7 | 175.4 | 142.5 | 0 | 0 | 110 | ||||
| 56 | I | 28.9 | Very low | 28.5 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | trans | -143.4 | 99.5 | 162 | -65.7 | -172 | 0 | 0 | 0 | 109.8 | L54 | L54-I56 HydrophobicContact CD2-CD1 4.26Å; L54-I56 HydrophobicContact CD2-CG1 4.46Å | ||
| 57 | I | 29.5 | Very low | 29.8 | Very low | 134 Ų | 134 | 148.8 Ų | 148.8 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | 66.4 | 110.3 | 110.2 | -67.9 | 165.4 | 0 | 0 | 0 | 119.3 | |||||
| 58 | T | 26.3 | Very low | 31.9 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 81.8 | 143.2 | 130.8 | 63.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 59 | G | 29 | Very low | 34.5 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 153.1 | 54.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I61 | G59-I61 PolarHBondContact O-N 2.89Š| ||
| 60 | S | 25.1 | Very low | 37.3 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 74% | 0.74 | S | S | * | * | trans | -78.6 | 114.7 | 166.8 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 61 | I | 31.4 | Very low | 40.4 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | trans | -90.8 | 111.3 | 169.9 | -64.9 | 174.2 | 0 | 0 | 0 | 108.2 | G59 S63 | G59-I61 PolarHBondContact O-N 2.89Å; I61-S63 PolarHBondContact O-N 3.38Å | ||
| 62 | S | 26.6 | Very low | 43.5 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | -67.3 | 113.6 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 63 | S | 29.4 | Very low | 46.2 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | -89.3 | 120.8 | 159.2 | 60.9 | 0 | 0 | 0 | 0 | 108.8 | I61 | I61-S63 PolarHBondContact O-N 3.38Š| ||
| 64 | K | 30.6 | Very low | 48.8 | Very low | 202 Ų | 202 | 115.3 Ų | 115.3 | 88% | 0.878 | 65% | 0.648 | S | S | * | * | trans | -23.7 | 121.6 | 177.1 | -67.6 | 175.4 | 177 | 177.1 | 0 | 113.8 | A66 | K64-A66 PolarHBondContact O-N 3Š| ||
| 65 | P | 35.2 | Very low | 51.8 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 66% | 0.662 | 61% | 0.608 | S | S | * | * | trans | -74.6 | 130 | -178.8 | 29.8 | -31.3 | 0 | 0 | 0 | 110.2 | ||||
| 66 | A | 47.7 | Very low | 55 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 69% | 0.686 | 57% | 0.573 | S | S | * | * | trans | -53 | 148.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | K64 K68 | K64-A66 PolarHBondContact O-N 3Å; A66-K68 WeakPolarHBondContact O-CG 3.4Å; A66-K68 PolarHBondContact O-N 3.3Å | ||
| 67 | Q | 54.9 | Low | 57.9 | Low | 206 Ų | 206 | 95.3 Ų | 95.3 | 96% | 0.963 | 55% | 0.548 | S | S | * | . | trans | -54.9 | 105.2 | 177.4 | -88.5 | 178.6 | -25.2 | 0 | 0 | 110.2 | ||||
| 68 | K | 71.1 | Confident | 60.6 | Low | 106 Ų | 106 | 89.8 Ų | 89.8 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 143.7 | -179.3 | -67.1 | -172.6 | 166.5 | -161.9 | 0 | 111.3 | A66 D295 L296 K297 | A66-K68 WeakPolarHBondContact O-CG 3.4Å; A66-K68 PolarHBondContact O-N 3.3Å; K68-D295 CarbonylContact C-O 3.31Å; K68-D295 VanDerWaalsContact CA-O 3.28Å; K68-D295 WeakPolarHBondContact CA-O 3.27Å; K68-D295 WeakPolarHBondContact CB-O 3.43Å; K68-L296 WeakPolarHBondContact CD-O 3.47Å; K68-K297 HydrophobicContact CB-CB 3.97Å |
| 69 | L | 78.9 | Confident | 63.7 | Low | 48 Ų | 48 | 83.2 Ų | 83.2 | 25% | 0.251 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -75 | 144.4 | -179.7 | -61.8 | 171 | 0 | 0 | 0 | 111.8 | Q73 I292 D295 L296 K297 | L69-Q73 HydrophobicContact CD2-CG 4.31Å; L69-I292 HydrophobicContact CD1-CD1 3.97Å; L69-D295 HydrophobicContact CD1-CB 4.26Å; L69-D295 PolarHBondContact N-O 3.26Å; L69-L296 HydrophobicContact CB-CD2 4.26Å; L69-L296 WeakPolarHBondContact O-CA 3.29Å; L69-K297 PolarHBondContact O-N 3.14Å |
| 70 | G | 85.8 | Confident | 66.7 | Low | 41 Ų | 41 | 80.9 Ų | 80.9 | 42% | 0.423 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 172 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I72 G74 | G70-I72 VanDerWaalsContact C-N 3.33Å; G70-I72 PolarHBondContact O-N 3.09Å; G70-G74 WeakPolarHBondContact O-CA 3.45Å; G70-G74 PolarHBondContact O-N 3.29Å |
| 71 | W | 90.6 | Very high | 69.7 | Low | 94 Ų | 94 | 75 Ų | 75 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.1 | -30.6 | -177.1 | 71 | -88.7 | 0 | 0 | 0 | 114.2 | V75 L76 A302 K305 L309 | W71-V75 WeakPolarHBondContact O-CA 3.48Å; W71-V75 WeakPolarHBondContact O-CB 3.34Å; W71-V75 PolarHBondContact O-N 3.45Å; W71-V75 VanDerWaalsContact O-N 3.08Å; W71-L76 HydrophobicContact CE3-CB 4.39Å; W71-L76 HydrophobicContact CZ3-CB 4.32Å; W71-L76 HydrophobicContact CZ3-CD2 3.97Å; W71-L76 PolarHBondContact O-N 3Å; W71-A302 VanDerWaalsContact CB-CA 3.49Å; W71-A302 HydrophobicContact CB-CB 3.49Å; W71-A302 VanDerWaalsContact CB-CB 3.49Å; W71-K305 HydrophobicContact CE3-CB 4.19Å; W71-L309 HydrophobicContact CH2-CD2 4.21Å; W71-L309 HydrophobicContact CZ3-CD2 4.05Å |
| 72 | I | 89.5 | Confident | 72.4 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -68.5 | -58 | 179.2 | -58.7 | 175.8 | 0 | 0 | 0 | 110 | G70 L76 I77 | G70-I72 VanDerWaalsContact C-N 3.33Å; G70-I72 PolarHBondContact O-N 3.09Å; I72-L76 HydrophobicContact CG2-CD2 4.42Å; I72-L76 WeakPolarHBondContact O-CB 3.21Å; I72-L76 PolarHBondContact O-N 3.09Å; I72-I77 HydrophobicContact CG2-CD1 4.22Å; I72-I77 HydrophobicContact CG2-CG1 4.46Å; I72-I77 WeakPolarHBondContact O-CG1 3.37Å; I72-I77 PolarHBondContact O-N 3.41Å |
| 73 | Q | 82.8 | Confident | 75.6 | Confident | 122 Ų | 122 | 62.4 Ų | 62.4 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | I | π-helix | trans | -71.8 | -40.5 | -177.3 | -171.5 | 178.3 | -0.6 | 0 | 0 | 112.3 | L69 | L69-Q73 HydrophobicContact CD2-CG 4.31Å |
| 74 | G | 80.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -82.1 | -30 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G70 I292 | G70-G74 WeakPolarHBondContact O-CA 3.45Å; G70-G74 PolarHBondContact O-N 3.29Å; G74-I292 WeakPolarHBondContact O-CD1 3.24Å |
| 75 | V | 89.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -120 | -60.4 | -174.7 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | W71 R78 C79 L296 A302 I303 | W71-V75 WeakPolarHBondContact O-CA 3.48Å; W71-V75 WeakPolarHBondContact O-CB 3.34Å; W71-V75 PolarHBondContact O-N 3.45Å; W71-V75 VanDerWaalsContact O-N 3.08Å; V75-R78 PolarHBondContact O-N 3.1Å; V75-C79 WeakPolarHBondContact O-CB 3.32Å; V75-C79 PolarHBondContact O-N 3.09Å; V75-C79 PolarHBondContact O-SG 3.25Å; V75-L296 HydrophobicContact CG2-CD1 3.5Å; V75-L296 VanDerWaalsContact CG2-CD1 3.5Å; V75-L296 HydrophobicContact CG2-CD2 3.78Å; V75-L296 HydrophobicContact CG2-CG 4.31Å; V75-A302 HydrophobicContact CG2-CB 4.07Å; V75-I303 HydrophobicContact CG2-CG1 4.38Å |
| 76 | L | 91.9 | Very high | 83.9 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -58.5 | -57 | -171.8 | 179.4 | 67.3 | 0 | 0 | 0 | 112.1 | W71 I72 R78 C79 I80 G306 L309 A310 I313 | W71-L76 HydrophobicContact CE3-CB 4.39Å; W71-L76 HydrophobicContact CZ3-CB 4.32Å; W71-L76 HydrophobicContact CZ3-CD2 3.97Å; W71-L76 PolarHBondContact O-N 3Å; I72-L76 HydrophobicContact CG2-CD2 4.42Å; I72-L76 WeakPolarHBondContact O-CB 3.21Å; I72-L76 PolarHBondContact O-N 3.09Å; L76-R78 VanDerWaalsContact C-N 3.29Å; L76-R78 PolarHBondContact O-N 3.31Å; L76-C79 PolarHBondContact O-N 2.82Å; L76-I80 HydrophobicContact CD1-CD1 3.93Å; L76-I80 HydrophobicContact CD1-CG1 4.48Å; L76-I80 HydrophobicContact CG-CD1 3.96Å; L76-I80 WeakPolarHBondContact O-CG1 3.49Å; L76-I80 PolarHBondContact O-N 3.12Å; L76-G306 WeakPolarHBondContact CD1-O 3.36Å; L76-L309 HydrophobicContact CD1-CB 3.95Å; L76-L309 HydrophobicContact CD1-CD2 3.98Å; L76-L309 HydrophobicContact CD1-CG 3.94Å; L76-L309 HydrophobicContact CD2-CD2 4.05Å; L76-A310 HydrophobicContact CD1-CB 4.02Å; L76-I313 HydrophobicContact CD1-CD1 4.4Å |
| 77 | I | 88.1 | Confident | 86 | Confident | 35 Ų | 35 | 39.4 Ų | 39.4 | 18% | 0.179 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | -178.9 | -73.7 | 175.4 | 0 | 0 | 0 | 110.7 | I72 I80 L81 L224 | I72-I77 HydrophobicContact CG2-CD1 4.22Å; I72-I77 HydrophobicContact CG2-CG1 4.46Å; I72-I77 WeakPolarHBondContact O-CG1 3.37Å; I72-I77 PolarHBondContact O-N 3.41Å; I77-I80 PolarHBondContact O-N 2.86Å; I77-L81 HydrophobicContact CG2-CD1 3.9Å; I77-L81 HydrophobicContact CG2-CG 4.4Å; I77-L81 WeakPolarHBondContact O-CB 2.89Å; I77-L81 WeakPolarHBondContact O-CG 3.03Å; I77-L81 PolarHBondContact O-N 3.05Å; I77-L224 HydrophobicContact CB-CD2 4.41Å; I77-L224 HydrophobicContact CD1-CD2 4.02Å; I77-L224 HydrophobicContact CG1-CD2 3.96Å; I77-L224 HydrophobicContact CG2-CD2 3.71Å |
| 78 | R | 87.3 | Confident | 87.8 | Confident | 18 Ų | 18 | 29.6 Ų | 29.6 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | -177.5 | -161.9 | 171.5 | -172.9 | 136.6 | 7.5 | 112.1 | V75 L76 C82 E216 A288 | V75-R78 PolarHBondContact O-N 3.1Å; L76-R78 VanDerWaalsContact C-N 3.29Å; L76-R78 PolarHBondContact O-N 3.31Å; R78-C82 PolarHBondContact O-N 3.39Å; R78-C82 PolarHBondContact O-SG 2.93Å; R78-E216 IonicContact CZ-OE1 2.93Å; R78-E216 IonicContact NH2-OE1 3.74Å; R78-E216 PolarHBondContact NH2-OE1 3.01Å; R78-E216 IonicContact NH2-OE2 3.9Å; R78-A288 HydrophobicContact CG-CB 4.26Å |
| 79 | C | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 173.3 | -76.1 | 0 | 0 | 0 | 0 | 111.3 | V75 L76 L81 C82 I83 G289 A310 | V75-C79 WeakPolarHBondContact O-CB 3.32Å; V75-C79 PolarHBondContact O-N 3.09Å; V75-C79 PolarHBondContact O-SG 3.25Å; L76-C79 PolarHBondContact O-N 2.82Å; C79-L81 VanDerWaalsContact C-N 3.34Å; C79-L81 PolarHBondContact O-N 2.65Å; C79-C82 PolarHBondContact O-N 2.69Å; C79-I83 WeakPolarHBondContact O-CB 3.47Å; C79-I83 WeakPolarHBondContact O-CD1 3.34Å; C79-I83 WeakPolarHBondContact O-CG1 3.24Å; C79-I83 PolarHBondContact O-N 2.58Å; C79-G289 PolarHBondContact SG-N 2.78Å; C79-A310 HydrophobicContact CB-CB 3.51Å |
| 80 | I | 91.6 | Very high | 89.4 | Confident | 21 Ų | 21 | 22.5 Ų | 22.5 | 11% | 0.108 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58 | -46.3 | 177.7 | -71.1 | 172 | 0 | 0 | 0 | 111.1 | L76 I77 C82 I83 F84 L224 A310 I313 T314 | L76-I80 HydrophobicContact CD1-CD1 3.93Å; L76-I80 HydrophobicContact CD1-CG1 4.48Å; L76-I80 HydrophobicContact CG-CD1 3.96Å; L76-I80 WeakPolarHBondContact O-CG1 3.49Å; L76-I80 PolarHBondContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 2.86Å; I80-C82 VanDerWaalsContact C-N 3.28Å; I80-C82 PolarHBondContact O-N 2.6Å; I80-I83 PolarHBondContact O-N 2.86Å; I80-F84 HydrophobicContact CG2-CD2 3.46Å; I80-F84 VanDerWaalsContact CG2-CD2 3.46Å; I80-F84 HydrophobicContact CG2-CE2 3.49Å; I80-F84 VanDerWaalsContact CG2-CE2 3.49Å; I80-F84 WeakPolarHBondContact O-CB 3.24Å; I80-F84 PolarHBondContact O-N 3.04Å; I80-L224 HydrophobicContact CG2-CD1 4.41Å; I80-A310 HydrophobicContact CG1-CB 3.95Å; I80-I313 HydrophobicContact CD1-CD1 4.33Å; I80-I313 HydrophobicContact CD1-CG2 4.42Å; I80-T314 HydrophobicContact CG1-CG2 4.27Å |
| 81 | L | 88.6 | Confident | 89.7 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.1 | -28.8 | 179.2 | -77.9 | 174.8 | 0 | 0 | 0 | 114.2 | I77 C79 Q220 L224 L227 S386 | I77-L81 HydrophobicContact CG2-CD1 3.9Å; I77-L81 HydrophobicContact CG2-CG 4.4Å; I77-L81 WeakPolarHBondContact O-CB 2.89Å; I77-L81 WeakPolarHBondContact O-CG 3.03Å; I77-L81 PolarHBondContact O-N 3.05Å; C79-L81 VanDerWaalsContact C-N 3.34Å; C79-L81 PolarHBondContact O-N 2.65Å; L81-Q220 HydrophobicContact CD1-CB 3.72Å; L81-Q220 HydrophobicContact CD1-CG 4.02Å; L81-L224 HydrophobicContact CD1-CB 4.34Å; L81-L224 HydrophobicContact CD2-CB 3.89Å; L81-L224 HydrophobicContact CD2-CD1 3.73Å; L81-L224 HydrophobicContact CD2-CG 4.44Å; L81-L224 HydrophobicContact CG-CB 4.38Å; L81-L224 HydrophobicContact CG-CD1 3.98Å; L81-L227 HydrophobicContact CD2-CD2 4.02Å; L81-S386 PolarHBondContact O-OG 3.28Å |
| 82 | C | 89.1 | Confident | 89.9 | Confident | 8 Ų | 8 | 16.3 Ų | 16.3 | 5% | 0.054 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -87.2 | -29.7 | 178.6 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | R78 C79 I80 A288 S389 | R78-C82 PolarHBondContact O-N 3.39Å; R78-C82 PolarHBondContact O-SG 2.93Å; C79-C82 PolarHBondContact O-N 2.69Å; I80-C82 VanDerWaalsContact C-N 3.28Å; I80-C82 PolarHBondContact O-N 2.6Å; C82-A288 HydrophobicContact CB-CB 3.93Å; C82-A288 WeakPolarHBondContact SG-CB 3.31Å; C82-S389 PolarHBondContact SG-OG 3.45Å |
| 83 | I | 92.3 | Very high | 90 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -73.4 | -46 | 175.5 | -66.1 | 164.6 | 0 | 0 | 0 | 109.5 | C79 I80 G85 A282 T284 I286 A310 T314 Y318 | C79-I83 WeakPolarHBondContact O-CB 3.47Å; C79-I83 WeakPolarHBondContact O-CD1 3.34Å; C79-I83 WeakPolarHBondContact O-CG1 3.24Å; C79-I83 PolarHBondContact O-N 2.58Å; I80-I83 PolarHBondContact O-N 2.86Å; I83-G85 VanDerWaalsContact C-N 3.33Å; I83-G85 PolarHBondContact O-N 3.01Å; I83-A282 WeakPolarHBondContact CG2-O 3.25Å; I83-T284 VanDerWaalsContact CG1-O 3.24Å; I83-T284 WeakPolarHBondContact CG1-O 3.46Å; I83-I286 HydrophobicContact CD1-CG2 4.5Å; I83-A310 HydrophobicContact CD1-CB 4.26Å; I83-T314 HydrophobicContact CB-CG2 3.96Å; I83-T314 HydrophobicContact CD1-CG2 4.16Å; I83-T314 HydrophobicContact CG2-CG2 3.68Å; I83-Y318 HydrophobicContact CG2-CE2 4.16Å; I83-Y318 PolarHBondContact O-OH 2.77Å |
| 84 | F | 91.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 7.2 Ų | 7.2 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -72 | 87.6 | 174.9 | -70.5 | -32.6 | 0 | 0 | 0 | 111.9 | I80 L88 L227 I231 T314 I317 Y318 | I80-F84 HydrophobicContact CG2-CD2 3.46Å; I80-F84 VanDerWaalsContact CG2-CD2 3.46Å; I80-F84 HydrophobicContact CG2-CE2 3.49Å; I80-F84 VanDerWaalsContact CG2-CE2 3.49Å; I80-F84 WeakPolarHBondContact O-CB 3.24Å; I80-F84 PolarHBondContact O-N 3.04Å; F84-L88 HydrophobicContact CD1-CD2 3.96Å; F84-L88 HydrophobicContact CE1-CD2 4.38Å; F84-L88 HydrophobicContact CG-CD2 4.44Å; F84-L227 HydrophobicContact CB-CD2 3.78Å; F84-L227 HydrophobicContact CD2-CD2 3.8Å; F84-L227 HydrophobicContact CG-CD2 4.25Å; F84-I231 HydrophobicContact CD2-CD1 4.18Å; F84-I231 HydrophobicContact CE2-CD1 3.9Å; F84-I231 HydrophobicContact CZ-CD1 4.18Å; F84-T314 HydrophobicContact CD1-CG2 4.16Å; F84-T314 HydrophobicContact CE1-CG2 3.74Å; F84-T314 HydrophobicContact CE2-CG2 4.16Å; F84-T314 HydrophobicContact CZ-CG2 3.73Å; F84-I317 HydrophobicContact CE1-CB 4.31Å; F84-I317 HydrophobicContact CE1-CG2 4.09Å; F84-I317 HydrophobicContact CE2-CD1 4.29Å; F84-I317 HydrophobicContact CZ-CB 4.07Å; F84-I317 HydrophobicContact CZ-CD1 3.64Å; F84-I317 HydrophobicContact CZ-CG1 4.44Å; F84-I317 HydrophobicContact CZ-CG2 3.99Å; F84-Y318 HydrophobicContact CD1-CE2 4.15Å; F84-Y318 HydrophobicContact CE1-CE2 4.15Å |
| 85 | G | 87.2 | Confident | 91.1 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | trans | -104.7 | -165.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I83 I87 L88 | I83-G85 VanDerWaalsContact C-N 3.33Å; I83-G85 PolarHBondContact O-N 3.01Å; G85-I87 VanDerWaalsContact C-N 3.26Å; G85-I87 PolarHBondContact O-N 3.1Å; G85-L88 PolarHBondContact O-N 3.3Å | ||
| 86 | V | 90.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 1% | 0.012 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -56.8 | -36.9 | 179.6 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | L88 Y89 L90 Y167 L443 | V86-L88 PolarHBondContact O-N 3.28Å; V86-Y89 PolarHBondContact O-N 3.21Å; V86-L90 HydrophobicContact CG1-CB 4.11Å; V86-L90 HydrophobicContact CG1-CD1 3.41Å; V86-L90 VanDerWaalsContact CG1-CD1 3.41Å; V86-L90 HydrophobicContact CG1-CG 3.81Å; V86-L90 PolarHBondContact O-N 3.35Å; V86-Y167 HydrophobicContact CG2-CD1 4.34Å; V86-L443 HydrophobicContact CG1-CD2 4.12Å |
| 87 | I | 92.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 6.7 Ų | 6.7 | 3% | 0.026 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.1 | -33.6 | -174.1 | -67.7 | 162.8 | 0 | 0 | 0 | 111.9 | G85 Y89 R91 L92 L166 V278 Y279 P281 A282 | G85-I87 VanDerWaalsContact C-N 3.26Å; G85-I87 PolarHBondContact O-N 3.1Å; I87-Y89 VanDerWaalsContact C-N 3.26Å; I87-Y89 PolarHBondContact O-N 3.05Å; I87-R91 HydrophobicContact CG2-CB 4.15Å; I87-R91 PolarHBondContact O-N 3.19Å; I87-R91 VanDerWaalsContact O-N 3.15Å; I87-L92 PolarHBondContact O-N 2.66Å; I87-L166 HydrophobicContact CD1-CD2 4.43Å; I87-V278 VanDerWaalsContact CD1-O 3.28Å; I87-V278 WeakPolarHBondContact CD1-O 3.24Å; I87-Y279 HydrophobicContact CG2-CD2 4.49Å; I87-P281 HydrophobicContact CD1-CB 3.62Å; I87-P281 HydrophobicContact CD1-CG 3.98Å; I87-A282 HydrophobicContact CB-CB 3.85Å; I87-A282 HydrophobicContact CD1-CB 4.07Å; I87-A282 HydrophobicContact CG2-CB 3.69Å |
| 88 | L | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -52.4 | -48.5 | 175.7 | 174.9 | 64.8 | 0 | 0 | 0 | 110.6 | F84 G85 V86 L92 I231 Y318 | F84-L88 HydrophobicContact CD1-CD2 3.96Å; F84-L88 HydrophobicContact CE1-CD2 4.38Å; F84-L88 HydrophobicContact CG-CD2 4.44Å; G85-L88 PolarHBondContact O-N 3.3Å; V86-L88 PolarHBondContact O-N 3.28Å; L88-L92 HydrophobicContact CD1-CD2 4.01Å; L88-L92 WeakPolarHBondContact O-CB 3.45Å; L88-I231 HydrophobicContact CD2-CD1 4.19Å; L88-I231 HydrophobicContact CD2-CG1 4.38Å; L88-Y318 HydrophobicContact CB-CE1 3.8Å; L88-Y318 HydrophobicContact CD1-CD1 3.76Å; L88-Y318 HydrophobicContact CD1-CE1 3.53Å; L88-Y318 HydrophobicContact CG-CE1 4.24Å |
| 89 | Y | 92.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 4.5 Ų | 4.5 | 1% | 0.008 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -89.2 | -40.8 | -172.3 | -68.4 | -77.9 | 0 | 0 | 0 | 114.5 | V86 I87 L227 S230 M365 V375 I379 A382 | V86-Y89 PolarHBondContact O-N 3.21Å; I87-Y89 VanDerWaalsContact C-N 3.26Å; I87-Y89 PolarHBondContact O-N 3.05Å; Y89-L227 HydrophobicContact CE2-CD1 3.84Å; Y89-L227 WeakPolarHBondContact OH-CD1 3.48Å; Y89-S230 WeakPolarHBondContact CE1-OG 3.32Å; Y89-S230 WeakPolarHBondContact OH-CB 3.36Å; Y89-S230 PolarHBondContact OH-OG 3.38Å; Y89-M365 HydrophobicContact CD1-CB 4.42Å; Y89-M365 HydrophobicContact CD1-CE 4.2Å; Y89-M365 HydrophobicContact CD1-SD 4.15Å; Y89-M365 HydrophobicContact CE1-CE 4.39Å; Y89-V375 HydrophobicContact CD1-CG1 3.78Å; Y89-V375 HydrophobicContact CE1-CG1 3.9Å; Y89-I379 VanDerWaalsContact CB-CG1 3.5Å; Y89-I379 HydrophobicContact CD1-CG1 3.94Å; Y89-I379 HydrophobicContact CD2-CG1 3.94Å; Y89-I379 HydrophobicContact CG-CD1 4.35Å; Y89-I379 HydrophobicContact CG-CG1 3.53Å; Y89-A382 HydrophobicContact CE2-CB 4.24Å |
| 90 | L | 90.9 | Very high | 92 | Very high | 2 Ų | 2 | 4.5 Ų | 4.5 | 1% | 0.01 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -95.9 | -20.2 | -170.3 | -64 | -171.2 | 0 | 0 | 0 | 114.6 | V86 E173 F362 Q363 I379 | V86-L90 HydrophobicContact CG1-CB 4.11Å; V86-L90 HydrophobicContact CG1-CD1 3.41Å; V86-L90 VanDerWaalsContact CG1-CD1 3.41Å; V86-L90 HydrophobicContact CG1-CG 3.81Å; V86-L90 PolarHBondContact O-N 3.35Å; L90-E173 HydrophobicContact CD1-CB 4.43Å; L90-F362 WeakPolarHBondContact O-CB 3.33Å; L90-Q363 HydrophobicContact CD2-CG 4.33Å; L90-I379 HydrophobicContact CD2-CD1 4.21Å |
| 91 | R | 93.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 3.6 Ų | 3.6 | 1% | 0.011 | 2% | 0.019 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -18.9 | -170.9 | -66.7 | -63.2 | -176.7 | -87 | -3.6 | 114.7 | I87 A93 W94 I95 E173 V278 F362 L443 N444 | I87-R91 HydrophobicContact CG2-CB 4.15Å; I87-R91 PolarHBondContact O-N 3.19Å; I87-R91 VanDerWaalsContact O-N 3.15Å; R91-A93 PolarHBondContact O-N 3.09Å; R91-W94 WeakPolarHBondContact O-CB 3.28Å; R91-W94 PolarHBondContact O-N 3.39Å; R91-I95 HydrophobicContact CB-CD1 4.4Å; R91-I95 WeakPolarHBondContact O-CD1 3.34Å; R91-I95 VanDerWaalsContact O-CG1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.4Å; R91-I95 PolarHBondContact O-N 3.05Å; R91-E173 IonicContact CZ-OE1 3.04Å; R91-E173 IonicContact CZ-OE2 2.86Å; R91-E173 IonicContact NH1-OE1 3.38Å; R91-E173 PolarHBondContact NH1-OE1 3.37Å; R91-E173 IonicContact NH1-OE2 3.71Å; R91-E173 IonicContact NH2-OE1 3.96Å; R91-E173 PolarHBondContact NH2-OE1 3.43Å; R91-E173 IonicContact NH2-OE2 2.78Å; R91-E173 PolarHBondContact NH2-OE2 2.83Å; R91-V278 HydrophobicContact CG-CG1 4.43Å; R91-F362 VanDerWaalsContact NH1-CG 3.26Å; R91-L443 HydrophobicContact CG-CD2 4.06Å; R91-N444 PolarHBondContact NE-OD1 3.39Å |
| 92 | L | 93.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | -179.2 | -169.4 | 67.8 | 0 | 0 | 0 | 113 | I87 L88 W94 I95 T96 Y279 Y318 C321 I322 | I87-L92 PolarHBondContact O-N 2.66Å; L88-L92 HydrophobicContact CD1-CD2 4.01Å; L88-L92 WeakPolarHBondContact O-CB 3.45Å; L92-W94 VanDerWaalsContact C-N 3.34Å; L92-I95 PolarHBondContact O-N 3.32Å; L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 PolarHBondContact O-N 3.15Å; L92-T96 PolarHBondContact O-OG1 3.07Å; L92-Y279 HydrophobicContact CD1-CD2 4.32Å; L92-Y279 HydrophobicContact CD1-CE2 3.97Å; L92-Y318 HydrophobicContact CD1-CD1 4.01Å; L92-Y318 HydrophobicContact CD2-CD1 3.92Å; L92-C321 HydrophobicContact CD2-CB 3.47Å; L92-C321 VanDerWaalsContact CD2-CB 3.47Å; L92-I322 HydrophobicContact CD1-CD1 3.99Å; L92-I322 HydrophobicContact CD1-CG1 3.78Å; L92-I322 HydrophobicContact CD2-CG1 4.18Å; L92-I322 HydrophobicContact CG-CG1 3.96Å |
| 93 | A | 92.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 2% | 0.017 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R91 T96 A97 T325 V364 | R91-A93 PolarHBondContact O-N 3.09Å; A93-T96 WeakPolarHBondContact O-CB 3.44Å; A93-T96 PolarHBondContact O-N 2.99Å; A93-A97 PolarHBondContact O-N 3.3Å; A93-T325 HydrophobicContact CB-CG2 3.93Å; A93-V364 HydrophobicContact CB-CB 3.85Å; A93-V364 HydrophobicContact CB-CG1 4.01Å; A93-V364 HydrophobicContact CB-CG2 4.38Å |
| 94 | W | 93.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 7.6 Ų | 7.6 | 6% | 0.064 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 176.3 | 179.8 | 73.6 | 0 | 0 | 0 | 112.4 | R91 L92 T96 A97 H98 E270 L275 V278 S358 F362 | R91-W94 WeakPolarHBondContact O-CB 3.28Å; R91-W94 PolarHBondContact O-N 3.39Å; L92-W94 VanDerWaalsContact C-N 3.34Å; W94-T96 VanDerWaalsContact C-N 3.26Å; W94-T96 PolarHBondContact O-N 3.39Å; W94-A97 WeakPolarHBondContact O-CB 3.4Å; W94-A97 PolarHBondContact O-N 3.05Å; W94-A97 VanDerWaalsContact O-N 3.12Å; W94-H98 AromaticContact CD1-CD2 3.79Å; W94-H98 AromaticContact CD1-NE2 3.75Å; W94-H98 AromaticContact CE2-CD2 3.55Å; W94-H98 AromaticContact CE2-NE2 3.35Å; W94-H98 AromaticContact CZ2-CD2 3.97Å; W94-H98 AromaticContact CZ2-NE2 3.62Å; W94-H98 AromaticContact NE1-CD2 3.37Å; W94-H98 PolarHBondContact NE1-CD2 3.18Å; W94-H98 AromaticContact NE1-NE2 2.96Å; W94-H98 PolarHBondContact NE1-NE2 3.12Å; W94-H98 PolarHBondContact O-CD2 3.21Å; W94-H98 PolarHBondContact O-N 2.87Å; W94-H98 VanDerWaalsContact O-N 3.12Å; W94-E270 HydrophobicContact CH2-CG 3.78Å; W94-E270 HydrophobicContact CZ2-CG 3.91Å; W94-L275 HydrophobicContact CE3-CD2 4.16Å; W94-L275 HydrophobicContact CH2-CD2 3.57Å; W94-L275 HydrophobicContact CZ2-CD2 4.41Å; W94-L275 HydrophobicContact CZ3-CD2 3.41Å; W94-L275 VanDerWaalsContact CZ3-CD2 3.41Å; W94-V278 HydrophobicContact CZ3-CG1 4.34Å; W94-S358 WeakPolarHBondContact CA-O 3.46Å; W94-F362 HydrophobicContact CB-CD1 4.16Å; W94-F362 HydrophobicContact CB-CE1 4.29Å; W94-F362 AromaticContact CD1-CE1 3.55Å; W94-F362 HydrophobicContact CD2-CE1 4.32Å; W94-F362 HydrophobicContact CG-CD1 4.16Å; W94-F362 AromaticContact CG-CE1 3.79Å; W94-F362 HydrophobicContact CG-CE1 3.79Å; W94-F362 AromaticContact NE1-CE1 3.9Å |
| 95 | I | 94 | Very high | 93.1 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.6 | -67 | 158.1 | 0 | 0 | 0 | 110.4 | R91 L92 A97 H98 A99 S104 I107 Y279 | R91-I95 HydrophobicContact CB-CD1 4.4Å; R91-I95 WeakPolarHBondContact O-CD1 3.34Å; R91-I95 VanDerWaalsContact O-CG1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.4Å; R91-I95 PolarHBondContact O-N 3.05Å; L92-I95 PolarHBondContact O-N 3.32Å; I95-A97 VanDerWaalsContact C-N 3.3Å; I95-A97 PolarHBondContact O-N 3.2Å; I95-H98 PolarHBondContact O-N 3.1Å; I95-A99 WeakPolarHBondContact O-CB 3.37Å; I95-A99 PolarHBondContact O-N 2.85Å; I95-S104 PolarHBondContact O-OG 3.34Å; I95-I107 HydrophobicContact CG2-CD1 4.1Å; I95-Y279 HydrophobicContact CD1-CD2 4.01Å; I95-Y279 HydrophobicContact CD1-CG 4.42Å |
| 96 | T | 93.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 13.1 Ų | 13.1 | 3% | 0.031 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 112.4 | L92 A93 W94 G100 V101 S104 I322 | L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 PolarHBondContact O-N 3.15Å; L92-T96 PolarHBondContact O-OG1 3.07Å; A93-T96 WeakPolarHBondContact O-CB 3.44Å; A93-T96 PolarHBondContact O-N 2.99Å; W94-T96 VanDerWaalsContact C-N 3.26Å; W94-T96 PolarHBondContact O-N 3.39Å; T96-G100 CarbonylContact O-C 3.48Å; T96-G100 WeakPolarHBondContact O-CA 3.43Å; T96-G100 PolarHBondContact O-N 3.36Å; T96-V101 HydrophobicContact CG2-CG2 4.1Å; T96-S104 VanDerWaalsContact CA-OG 3.31Å; T96-S104 WeakPolarHBondContact CA-OG 3.25Å; T96-I322 HydrophobicContact CG2-CG2 3.92Å |
| 97 | A | 92.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.6 | -48.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A93 W94 I95 K331 S358 M359 | A93-A97 PolarHBondContact O-N 3.3Å; W94-A97 WeakPolarHBondContact O-CB 3.4Å; W94-A97 PolarHBondContact O-N 3.05Å; W94-A97 VanDerWaalsContact O-N 3.12Å; I95-A97 VanDerWaalsContact C-N 3.3Å; I95-A97 PolarHBondContact O-N 3.2Å; A97-K331 HydrophobicContact CB-CG 4.45Å; A97-K331 VanDerWaalsContact O-CE 3.25Å; A97-K331 WeakPolarHBondContact O-CE 3.33Å; A97-S358 WeakPolarHBondContact CB-OG 3.4Å; A97-M359 HydrophobicContact CB-CB 4.1Å |
| 98 | H | 92.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 3% | 0.032 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.5 | -52.6 | -178 | -78.8 | -104.2 | 0 | 0 | 0 | 112.9 | W94 I95 G100 P265 T266 H268 L275 M359 | W94-H98 AromaticContact CD1-CD2 3.79Å; W94-H98 AromaticContact CD1-NE2 3.75Å; W94-H98 AromaticContact CE2-CD2 3.55Å; W94-H98 AromaticContact CE2-NE2 3.35Å; W94-H98 AromaticContact CZ2-CD2 3.97Å; W94-H98 AromaticContact CZ2-NE2 3.62Å; W94-H98 AromaticContact NE1-CD2 3.37Å; W94-H98 PolarHBondContact NE1-CD2 3.18Å; W94-H98 AromaticContact NE1-NE2 2.96Å; W94-H98 PolarHBondContact NE1-NE2 3.12Å; W94-H98 PolarHBondContact O-CD2 3.21Å; W94-H98 PolarHBondContact O-N 2.87Å; W94-H98 VanDerWaalsContact O-N 3.12Å; I95-H98 PolarHBondContact O-N 3.1Å; H98-G100 VanDerWaalsContact C-N 3.31Å; H98-G100 PolarHBondContact O-N 3.43Å; H98-P265 CarbonylContact O-C 3.47Å; H98-P265 WeakPolarHBondContact O-CA 3.25Å; H98-T266 WeakPolarHBondContact CA-O 3.5Å; H98-T266 CarbonylContact O-C 3.57Å; H98-T266 PolarHBondContact O-N 3.17Å; H98-H268 PolarHBondContact CE1-O 3.39Å; H98-H268 VanDerWaalsContact CE1-O 3.26Å; H98-H268 PolarHBondContact ND1-O 2.84Å; H98-L275 HydrophobicContact CB-CD1 3.67Å; H98-L275 HydrophobicContact CB-CD2 4.27Å; H98-M359 WeakPolarHBondContact CE1-CE 3.43Å; H98-M359 WeakPolarHBondContact NE2-CE 3.38Å |
| 99 | A | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -79.1 | -17.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I95 L103 I107 P265 F267 L275 | I95-A99 WeakPolarHBondContact O-CB 3.37Å; I95-A99 PolarHBondContact O-N 2.85Å; A99-L103 HydrophobicContact CB-CB 3.97Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-I107 HydrophobicContact CB-CD1 4.2Å; A99-P265 WeakPolarHBondContact O-CA 3.44Å; A99-P265 WeakPolarHBondContact O-CB 3.4Å; A99-F267 HydrophobicContact CB-CE1 4.45Å; A99-L275 HydrophobicContact CB-CD1 3.8Å |
| 100 | G | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | 72.4 | 167.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T96 H98 A102 S104 N262 | T96-G100 CarbonylContact O-C 3.48Å; T96-G100 WeakPolarHBondContact O-CA 3.43Å; T96-G100 PolarHBondContact O-N 3.36Å; H98-G100 VanDerWaalsContact C-N 3.31Å; H98-G100 PolarHBondContact O-N 3.43Å; G100-A102 VanDerWaalsContact C-N 3.35Å; G100-A102 PolarHBondContact O-N 3.45Å; G100-S104 WeakPolarHBondContact O-CB 3.46Å; G100-S104 PolarHBondContact O-N 3.02Å; G100-S104 PolarHBondContact O-OG 3.15Å; G100-N262 CarbonylContact C-O 3.11Å; G100-N262 WeakPolarHBondContact CA-O 3.48Å |
| 101 | V | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | -175.5 | 176 | 0 | 0 | 0 | 0 | 111.6 | T96 S104 L105 F259 N262 I322 L323 | T96-V101 HydrophobicContact CG2-CG2 4.1Å; V101-S104 PolarHBondContact O-N 3.06Å; V101-L105 HydrophobicContact CG1-CD1 4.06Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 2.66Å; V101-F259 HydrophobicContact CB-CE2 4.48Å; V101-F259 HydrophobicContact CG1-CE2 3.96Å; V101-F259 HydrophobicContact CG1-CZ 4.48Å; V101-F259 HydrophobicContact CG2-CE2 4.4Å; V101-N262 HydrophobicContact CG2-CB 4.19Å; V101-N262 PolarHBondContact N-O 3.32Å; V101-I322 HydrophobicContact CG1-CG2 4.2Å; V101-L323 HydrophobicContact CG1-CD2 3.98Å |
| 102 | A | 94.6 | Very high | 94.3 | Very high | 48 Ų | 48 | 21.6 Ų | 21.6 | 40% | 0.397 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -65.6 | -50 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G100 L105 L106 L263 | G100-A102 VanDerWaalsContact C-N 3.35Å; G100-A102 PolarHBondContact O-N 3.45Å; A102-L105 PolarHBondContact O-N 2.83Å; A102-L106 PolarHBondContact O-N 3.43Å; A102-L106 VanDerWaalsContact O-N 3.16Å; A102-L263 HydrophobicContact CB-CD1 4.15Å; A102-L263 PolarHBondContact N-O 2.86Å |
| 103 | L | 94.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 23.2 Ų | 23.2 | 26% | 0.257 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -73.6 | -27.9 | 178.6 | -66.3 | 173.5 | 0 | 0 | 0 | 112.1 | A99 L106 I107 P265 F267 F272 | A99-L103 HydrophobicContact CB-CB 3.97Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; L103-L106 HydrophobicContact CD2-CD2 4.03Å; L103-L106 CarbonylContact O-C 3.54Å; L103-L106 WeakPolarHBondContact O-CB 3.36Å; L103-L106 PolarHBondContact O-N 3.24Å; L103-I107 WeakPolarHBondContact O-CG1 3.35Å; L103-I107 PolarHBondContact O-N 3.02Å; L103-P265 HydrophobicContact CD1-CB 3.9Å; L103-P265 HydrophobicContact CD1-CG 3.68Å; L103-F267 HydrophobicContact CD1-CE2 4.36Å; L103-F267 HydrophobicContact CD1-CZ 4.08Å; L103-F272 HydrophobicContact CB-CD2 4.35Å; L103-F272 HydrophobicContact CB-CE2 4.19Å; L103-F272 HydrophobicContact CD2-CD2 4.4Å; L103-F272 HydrophobicContact CD2-CE2 4.19Å |
| 104 | S | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 173.3 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | I95 T96 G100 V101 L106 I107 V108 | I95-S104 PolarHBondContact O-OG 3.34Å; T96-S104 VanDerWaalsContact CA-OG 3.31Å; T96-S104 WeakPolarHBondContact CA-OG 3.25Å; G100-S104 WeakPolarHBondContact O-CB 3.46Å; G100-S104 PolarHBondContact O-N 3.02Å; G100-S104 PolarHBondContact O-OG 3.15Å; V101-S104 PolarHBondContact O-N 3.06Å; S104-L106 VanDerWaalsContact C-N 3.25Å; S104-L106 PolarHBondContact O-N 3.24Å; S104-I107 WeakPolarHBondContact O-CB 3.17Å; S104-I107 PolarHBondContact O-N 3.43Å; S104-V108 WeakPolarHBondContact O-CG2 3.46Å; S104-V108 PolarHBondContact O-N 2.83Å |
| 105 | L | 96.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 22.4 Ų | 22.4 | 27% | 0.267 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.4 | -36.4 | 171.8 | -70 | 173.1 | 0 | 0 | 0 | 111.6 | V101 A102 V108 F109 C319 I322 L323 | V101-L105 HydrophobicContact CG1-CD1 4.06Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 2.66Å; A102-L105 PolarHBondContact O-N 2.83Å; L105-V108 PolarHBondContact O-N 3.47Å; L105-F109 WeakPolarHBondContact O-CB 3.48Å; L105-F109 PolarHBondContact O-N 3.46Å; L105-C319 HydrophobicContact CD2-CB 3.87Å; L105-I322 HydrophobicContact CD2-CB 4.39Å; L105-I322 HydrophobicContact CD2-CD1 4.39Å; L105-I322 HydrophobicContact CD2-CG2 4.22Å; L105-I322 HydrophobicContact CG-CG2 4.24Å; L105-L323 HydrophobicContact CD1-CD2 4.15Å |
| 106 | L | 95.2 | Very high | 94.7 | Very high | 74 Ų | 74 | 24.5 Ų | 24.5 | 39% | 0.387 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.4 | -41 | 173.8 | -177.3 | 63.6 | 0 | 0 | 0 | 112.4 | A102 L103 S104 F109 I110 F272 | A102-L106 PolarHBondContact O-N 3.43Å; A102-L106 VanDerWaalsContact O-N 3.16Å; L103-L106 HydrophobicContact CD2-CD2 4.03Å; L103-L106 CarbonylContact O-C 3.54Å; L103-L106 WeakPolarHBondContact O-CB 3.36Å; L103-L106 PolarHBondContact O-N 3.24Å; S104-L106 VanDerWaalsContact C-N 3.25Å; S104-L106 PolarHBondContact O-N 3.24Å; L106-F109 HydrophobicContact CD1-CD1 4.49Å; L106-F109 PolarHBondContact O-N 2.96Å; L106-I110 HydrophobicContact CD1-CD1 4.23Å; L106-I110 HydrophobicContact CD1-CG1 4.27Å; L106-I110 HydrophobicContact CG-CD1 4.01Å; L106-I110 HydrophobicContact CG-CG1 4.44Å; L106-I110 WeakPolarHBondContact O-CG1 3.26Å; L106-I110 PolarHBondContact O-N 3.09Å; L106-F272 HydrophobicContact CD2-CE2 4.26Å; L106-F272 HydrophobicContact CD2-CZ 4.15Å; L106-F272 HydrophobicContact CG-CZ 4.31Å |
| 107 | I | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 174.3 | -71.6 | 168.3 | 0 | 0 | 0 | 110.1 | I95 A99 L103 S104 F109 I110 A111 F272 L275 F276 Y279 | I95-I107 HydrophobicContact CG2-CD1 4.1Å; A99-I107 HydrophobicContact CB-CD1 4.2Å; L103-I107 WeakPolarHBondContact O-CG1 3.35Å; L103-I107 PolarHBondContact O-N 3.02Å; S104-I107 WeakPolarHBondContact O-CB 3.17Å; S104-I107 PolarHBondContact O-N 3.43Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 2.92Å; I107-I110 PolarHBondContact O-N 3.25Å; I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 2.99Å; I107-F272 HydrophobicContact CD1-CD2 4.3Å; I107-F272 HydrophobicContact CD1-CE2 4.09Å; I107-F272 HydrophobicContact CG1-CD2 4.21Å; I107-F272 HydrophobicContact CG1-CE2 3.53Å; I107-F272 HydrophobicContact CG1-CZ 3.72Å; I107-L275 HydrophobicContact CD1-CB 4.07Å; I107-F276 HydrophobicContact CG2-CD2 4.01Å; I107-Y279 HydrophobicContact CG2-CD1 3.56Å; I107-Y279 HydrophobicContact CG2-CD2 4.47Å; I107-Y279 HydrophobicContact CG2-CE1 4.35Å; I107-Y279 HydrophobicContact CG2-CG 3.64Å |
| 108 | V | 95.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 175.9 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | S104 L105 A111 S112 Y279 I322 | S104-V108 WeakPolarHBondContact O-CG2 3.46Å; S104-V108 PolarHBondContact O-N 2.83Å; L105-V108 PolarHBondContact O-N 3.47Å; V108-A111 PolarHBondContact O-N 2.75Å; V108-S112 WeakPolarHBondContact O-CB 3.44Å; V108-S112 PolarHBondContact O-N 3.37Å; V108-S112 PolarHBondContact O-OG 3.42Å; V108-Y279 HydrophobicContact CG2-CE1 4.33Å; V108-Y279 HydrophobicContact CG2-CE2 3.99Å; V108-I322 HydrophobicContact CG2-CD1 3.36Å |
| 109 | F | 95.2 | Very high | 95 | Very high | 134 Ų | 134 | 25 Ų | 25 | 59% | 0.588 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -63.7 | -45 | -180 | 179.9 | -98.3 | 0 | 0 | 0 | 112.8 | L105 L106 I107 S112 S113 | L105-F109 WeakPolarHBondContact O-CB 3.48Å; L105-F109 PolarHBondContact O-N 3.46Å; L106-F109 HydrophobicContact CD1-CD1 4.49Å; L106-F109 PolarHBondContact O-N 2.96Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 2.92Å; F109-S112 PolarHBondContact O-N 2.82Å; F109-S113 WeakPolarHBondContact O-CB 3.28Å; F109-S113 PolarHBondContact O-N 2.98Å; F109-S113 PolarHBondContact O-OG 3.39Å |
| 110 | I | 94.2 | Very high | 95.2 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 21% | 0.205 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 177.9 | -66.4 | 169.7 | 0 | 0 | 0 | 110.2 | L106 I107 S112 S113 V114 F272 F276 | L106-I110 HydrophobicContact CD1-CD1 4.23Å; L106-I110 HydrophobicContact CD1-CG1 4.27Å; L106-I110 HydrophobicContact CG-CD1 4.01Å; L106-I110 HydrophobicContact CG-CG1 4.44Å; L106-I110 WeakPolarHBondContact O-CG1 3.26Å; L106-I110 PolarHBondContact O-N 3.09Å; I107-I110 PolarHBondContact O-N 3.25Å; I110-S112 PolarHBondContact O-N 3.43Å; I110-S113 WeakPolarHBondContact O-CB 3.09Å; I110-S113 PolarHBondContact O-N 3.17Å; I110-V114 WeakPolarHBondContact O-CG2 3.38Å; I110-V114 PolarHBondContact O-N 3.1Å; I110-F272 HydrophobicContact CD1-CE1 4.23Å; I110-F272 HydrophobicContact CD1-CZ 4Å; I110-F276 HydrophobicContact CB-CE2 3.98Å; I110-F276 HydrophobicContact CG2-CD2 4.4Å; I110-F276 HydrophobicContact CG2-CE2 3.6Å; I110-F276 HydrophobicContact CG2-CZ 4.16Å |
| 111 | A | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -40.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I107 V108 S113 V114 T115 F276 Y279 F280 A283 | I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 2.99Å; V108-A111 PolarHBondContact O-N 2.75Å; A111-S113 VanDerWaalsContact C-N 3.32Å; A111-S113 PolarHBondContact O-N 3.45Å; A111-V114 PolarHBondContact O-N 2.86Å; A111-T115 WeakPolarHBondContact O-CG2 3.38Å; A111-T115 PolarHBondContact O-N 3.06Å; A111-T115 PolarHBondContact O-OG1 2.74Å; A111-F276 HydrophobicContact CB-CE2 3.94Å; A111-F276 HydrophobicContact CB-CZ 4.25Å; A111-Y279 HydrophobicContact CB-CD1 3.93Å; A111-Y279 HydrophobicContact CB-CE1 3.61Å; A111-F280 HydrophobicContact CB-CD2 4.16Å; A111-A283 HydrophobicContact CB-CB 3.99Å |
| 112 | S | 94.7 | Very high | 95.1 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 12% | 0.119 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 174.8 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | V108 F109 I110 T115 M116 S315 | V108-S112 WeakPolarHBondContact O-CB 3.44Å; V108-S112 PolarHBondContact O-N 3.37Å; V108-S112 PolarHBondContact O-OG 3.42Å; F109-S112 PolarHBondContact O-N 2.82Å; I110-S112 PolarHBondContact O-N 3.43Å; S112-T115 WeakPolarHBondContact CA-OG1 3.42Å; S112-T115 PolarHBondContact O-OG1 3.18Å; S112-T115 VanDerWaalsContact O-OG1 3.04Å; S112-M116 WeakPolarHBondContact O-CB 3.23Å; S112-M116 PolarHBondContact O-N 2.85Å; S112-S315 WeakPolarHBondContact CB-OG 3.17Å; S112-S315 WeakPolarHBondContact OG-CB 3.33Å; S112-S315 PolarHBondContact OG-OG 2.79Å |
| 113 | S | 94.3 | Very high | 95 | Very high | 36 Ų | 36 | 24 Ų | 24 | 25% | 0.252 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -66.6 | -47.2 | 175.4 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | F109 I110 A111 T115 M116 L117 | F109-S113 WeakPolarHBondContact O-CB 3.28Å; F109-S113 PolarHBondContact O-N 2.98Å; F109-S113 PolarHBondContact O-OG 3.39Å; I110-S113 WeakPolarHBondContact O-CB 3.09Å; I110-S113 PolarHBondContact O-N 3.17Å; A111-S113 VanDerWaalsContact C-N 3.32Å; A111-S113 PolarHBondContact O-N 3.45Å; S113-T115 VanDerWaalsContact C-N 3.32Å; S113-T115 PolarHBondContact O-N 3.15Å; S113-M116 PolarHBondContact O-N 3.42Å; S113-L117 WeakPolarHBondContact O-CB 3.41Å; S113-L117 WeakPolarHBondContact O-CG 3.48Å; S113-L117 PolarHBondContact O-N 2.84Å |
| 114 | V | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.1 | -47.5 | 176 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | I110 A111 T118 F280 L455 Y458 L494 | I110-V114 WeakPolarHBondContact O-CG2 3.38Å; I110-V114 PolarHBondContact O-N 3.1Å; A111-V114 PolarHBondContact O-N 2.86Å; V114-T118 WeakPolarHBondContact O-CB 3.47Å; V114-T118 PolarHBondContact O-N 3.27Å; V114-T118 PolarHBondContact O-OG1 3.09Å; V114-F280 HydrophobicContact CB-CE2 4.35Å; V114-F280 HydrophobicContact CG1-CE2 3.93Å; V114-F280 HydrophobicContact CG1-CZ 4.16Å; V114-L455 HydrophobicContact CG1-CD2 4.09Å; V114-Y458 HydrophobicContact CG1-CD2 4.43Å; V114-L494 HydrophobicContact CG2-CD2 3.5Å; V114-L494 VanDerWaalsContact CG2-CD2 3.5Å; V114-L494 HydrophobicContact CG2-CG 3.81Å |
| 115 | T | 95.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -73 | -36.5 | -177.7 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | A111 S112 S113 T118 S119 A283 I286 Y458 | A111-T115 WeakPolarHBondContact O-CG2 3.38Å; A111-T115 PolarHBondContact O-N 3.06Å; A111-T115 PolarHBondContact O-OG1 2.74Å; S112-T115 WeakPolarHBondContact CA-OG1 3.42Å; S112-T115 PolarHBondContact O-OG1 3.18Å; S112-T115 VanDerWaalsContact O-OG1 3.04Å; S113-T115 VanDerWaalsContact C-N 3.32Å; S113-T115 PolarHBondContact O-N 3.15Å; T115-T118 PolarHBondContact O-N 3.03Å; T115-S119 VanDerWaalsContact O-CB 3.32Å; T115-S119 WeakPolarHBondContact O-CB 3.1Å; T115-S119 PolarHBondContact O-N 2.86Å; T115-A283 HydrophobicContact CG2-CB 3.92Å; T115-A283 WeakPolarHBondContact CG2-O 3.33Å; T115-I286 HydrophobicContact CG2-CG2 4.46Å; T115-Y458 HydrophobicContact CG2-CE2 4.31Å |
| 116 | M | 95.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 19.1 Ų | 19.1 | 22% | 0.222 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -50.7 | 172.7 | -175.8 | 62.8 | 72.1 | 0 | 0 | 111 | S112 S113 T118 S119 L120 I308 I311 L312 | S112-M116 WeakPolarHBondContact O-CB 3.23Å; S112-M116 PolarHBondContact O-N 2.85Å; S113-M116 PolarHBondContact O-N 3.42Å; M116-T118 VanDerWaalsContact C-N 3.29Å; M116-T118 PolarHBondContact O-N 3.42Å; M116-S119 WeakPolarHBondContact O-CB 3.28Å; M116-S119 PolarHBondContact O-N 3.19Å; M116-S119 PolarHBondContact O-OG 3.07Å; M116-L120 WeakPolarHBondContact O-CG 3.19Å; M116-L120 PolarHBondContact O-N 3.31Å; M116-I308 HydrophobicContact CE-CG2 4.34Å; M116-I308 HydrophobicContact SD-CG2 4.28Å; M116-I311 HydrophobicContact CE-CB 4.49Å; M116-I311 HydrophobicContact CE-CG2 4.03Å; M116-L312 HydrophobicContact CE-CD2 3.75Å; M116-L312 HydrophobicContact CE-CG 4.1Å |
| 117 | L | 95.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 16.6 Ų | 16.6 | 12% | 0.12 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58 | -43.4 | 177.4 | -66.7 | 172.2 | 0 | 0 | 0 | 111.5 | S113 S119 L120 S121 L487 L494 | S113-L117 WeakPolarHBondContact O-CB 3.41Å; S113-L117 WeakPolarHBondContact O-CG 3.48Å; S113-L117 PolarHBondContact O-N 2.84Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.36Å; L117-L120 PolarHBondContact O-N 3.48Å; L117-S121 PolarHBondContact O-N 3.2Å; L117-S121 PolarHBondContact O-OG 3.46Å; L117-L487 HydrophobicContact CD2-CD1 3.22Å; L117-L487 HydrophobicContact CD2-CD2 3.98Å; L117-L487 HydrophobicContact CD2-CG 3.35Å; L117-L494 HydrophobicContact CD1-CD2 4.17Å |
| 118 | T | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.4 | -36.2 | 176.4 | -51 | 0 | 0 | 0 | 0 | 112 | V114 T115 M116 S121 L122 I286 Y458 I461 N462 | V114-T118 WeakPolarHBondContact O-CB 3.47Å; V114-T118 PolarHBondContact O-N 3.27Å; V114-T118 PolarHBondContact O-OG1 3.09Å; T115-T118 PolarHBondContact O-N 3.03Å; M116-T118 VanDerWaalsContact C-N 3.29Å; M116-T118 PolarHBondContact O-N 3.42Å; T118-S121 WeakPolarHBondContact O-CB 3.3Å; T118-S121 PolarHBondContact O-N 3.28Å; T118-L122 WeakPolarHBondContact O-CB 3.3Å; T118-L122 PolarHBondContact O-N 3.38Å; T118-I286 HydrophobicContact CG2-CD1 4.06Å; T118-Y458 HydrophobicContact CG2-CD1 3.74Å; T118-Y458 HydrophobicContact CG2-CE1 4.45Å; T118-Y458 HydrophobicContact CG2-CG 3.79Å; T118-I461 HydrophobicContact CG2-CG2 4.39Å; T118-N462 WeakPolarHBondContact CA-OD1 3.36Å; T118-N462 PolarHBondContact OG1-ND2 3.3Å |
| 119 | S | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.1 | 82 | 0 | 0 | 0 | 0 | 111.9 | T115 M116 L117 S121 L122 C123 | T115-S119 VanDerWaalsContact O-CB 3.32Å; T115-S119 WeakPolarHBondContact O-CB 3.1Å; T115-S119 PolarHBondContact O-N 2.86Å; M116-S119 WeakPolarHBondContact O-CB 3.28Å; M116-S119 PolarHBondContact O-N 3.19Å; M116-S119 PolarHBondContact O-OG 3.07Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.36Å; S119-S121 PolarHBondContact O-N 3.27Å; S119-L122 CarbonylContact O-C 3.58Å; S119-L122 WeakPolarHBondContact O-CB 3.48Å; S119-L122 PolarHBondContact O-N 3.3Å; S119-C123 WeakPolarHBondContact O-CB 2.94Å; S119-C123 PolarHBondContact O-N 3.23Å; S119-C123 PolarHBondContact O-SG 3.02Å |
| 120 | L | 95.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 21 Ų | 21 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.8 | -62.4 | 173 | 0 | 0 | 0 | 111.2 | M116 L117 C123 A124 I308 F480 L487 | M116-L120 WeakPolarHBondContact O-CG 3.19Å; M116-L120 PolarHBondContact O-N 3.31Å; L117-L120 PolarHBondContact O-N 3.48Å; L120-C123 PolarHBondContact O-N 3.17Å; L120-A124 PolarHBondContact O-N 3.37Å; L120-I308 HydrophobicContact CD2-CD1 4.29Å; L120-F480 HydrophobicContact CD2-CE1 3.68Å; L120-F480 HydrophobicContact CD2-CZ 4.24Å; L120-L487 HydrophobicContact CD1-CD2 3.44Å; L120-L487 VanDerWaalsContact CD1-CD2 3.44Å |
| 121 | S | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 170.2 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | L117 T118 S119 C123 A124 I125 N462 S488 | L117-S121 PolarHBondContact O-N 3.2Å; L117-S121 PolarHBondContact O-OG 3.46Å; T118-S121 WeakPolarHBondContact O-CB 3.3Å; T118-S121 PolarHBondContact O-N 3.28Å; S119-S121 PolarHBondContact O-N 3.27Å; S121-C123 VanDerWaalsContact C-N 3.32Å; S121-C123 PolarHBondContact O-N 2.74Å; S121-A124 WeakPolarHBondContact O-CB 3.37Å; S121-A124 PolarHBondContact O-N 3.02Å; S121-A124 VanDerWaalsContact O-N 3.16Å; S121-I125 VanDerWaalsContact O-CG1 3.28Å; S121-I125 WeakPolarHBondContact O-CG1 3.19Å; S121-I125 PolarHBondContact O-N 3.19Å; S121-N462 VanDerWaalsContact CB-OD1 3.24Å; S121-N462 WeakPolarHBondContact CB-OD1 3.34Å; S121-N462 PolarHBondContact OG-OD1 3.28Å; S121-S488 WeakPolarHBondContact OG-CB 3.49Å; S121-S488 PolarHBondContact OG-OG 2.91Å |
| 122 | L | 93.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 177.1 | -177.5 | 64.7 | 0 | 0 | 0 | 112.1 | T118 S119 I125 A126 L139 M287 A290 | T118-L122 WeakPolarHBondContact O-CB 3.3Å; T118-L122 PolarHBondContact O-N 3.38Å; S119-L122 CarbonylContact O-C 3.58Å; S119-L122 WeakPolarHBondContact O-CB 3.48Å; S119-L122 PolarHBondContact O-N 3.3Å; L122-I125 PolarHBondContact O-N 2.93Å; L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.34Å; L122-A126 PolarHBondContact O-N 3.04Å; L122-L139 HydrophobicContact CD1-CD2 4.36Å; L122-M287 HydrophobicContact CD2-CG 4.02Å; L122-A290 HydrophobicContact CD1-CB 4.37Å; L122-A290 HydrophobicContact CD2-CB 4.36Å |
| 123 | C | 93 | Very high | 88.1 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 175.9 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | S119 L120 S121 A126 T127 P304 F480 | S119-C123 WeakPolarHBondContact O-CB 2.94Å; S119-C123 PolarHBondContact O-N 3.23Å; S119-C123 PolarHBondContact O-SG 3.02Å; L120-C123 PolarHBondContact O-N 3.17Å; S121-C123 VanDerWaalsContact C-N 3.32Å; S121-C123 PolarHBondContact O-N 2.74Å; C123-A126 PolarHBondContact O-N 3.21Å; C123-T127 WeakPolarHBondContact O-CB 3.46Å; C123-T127 WeakPolarHBondContact O-CG2 3.33Å; C123-T127 PolarHBondContact O-N 3.27Å; C123-T127 PolarHBondContact O-OG1 3.45Å; C123-P304 HydrophobicContact CB-CB 4.1Å; C123-P304 HydrophobicContact CB-CG 4.01Å; C123-P304 WeakPolarHBondContact SG-CA 3.35Å; C123-P304 VanDerWaalsContact SG-CB 3.59Å; C123-F480 HydrophobicContact CB-CD1 3.68Å; C123-F480 HydrophobicContact CB-CD2 4.13Å; C123-F480 HydrophobicContact CB-CE1 3.77Å; C123-F480 HydrophobicContact CB-CE2 4.23Å; C123-F480 HydrophobicContact CB-CG 3.87Å; C123-F480 HydrophobicContact CB-CZ 4.06Å |
| 124 | A | 93.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | L120 S121 T127 N128 P478 Y483 | L120-A124 PolarHBondContact O-N 3.37Å; S121-A124 WeakPolarHBondContact O-CB 3.37Å; S121-A124 PolarHBondContact O-N 3.02Å; S121-A124 VanDerWaalsContact O-N 3.16Å; A124-T127 PolarHBondContact O-N 3.07Å; A124-T127 PolarHBondContact O-OG1 3.11Å; A124-T127 VanDerWaalsContact O-OG1 3.11Å; A124-N128 PolarHBondContact O-N 3.16Å; A124-P478 HydrophobicContact CB-CB 3.7Å; A124-P478 HydrophobicContact CB-CG 4.47Å; A124-P478 WeakPolarHBondContact O-CB 3.47Å; A124-Y483 HydrophobicContact CB-CD1 4.1Å; A124-Y483 HydrophobicContact CB-CD2 3.28Å; A124-Y483 HydrophobicContact CB-CE1 4.47Å; A124-Y483 HydrophobicContact CB-CE2 3.7Å; A124-Y483 HydrophobicContact CB-CG 3.5Å |
| 125 | I | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.8 | -57.7 | 166.8 | 0 | 0 | 0 | 110.6 | S121 L122 T127 N128 L139 L140 L144 I461 C465 F476 | S121-I125 VanDerWaalsContact O-CG1 3.28Å; S121-I125 WeakPolarHBondContact O-CG1 3.19Å; S121-I125 PolarHBondContact O-N 3.19Å; L122-I125 PolarHBondContact O-N 2.93Å; I125-T127 PolarHBondContact O-N 2.93Å; I125-N128 WeakPolarHBondContact O-CB 3.26Å; I125-N128 PolarHBondContact O-N 3.04Å; I125-N128 VanDerWaalsContact O-N 3.07Å; I125-L139 HydrophobicContact CB-CD2 3.98Å; I125-L139 HydrophobicContact CG2-CD2 3.31Å; I125-L139 HydrophobicContact CG2-CG 4.21Å; I125-L140 HydrophobicContact CD1-CD2 3.76Å; I125-L140 HydrophobicContact CG2-CD2 4.42Å; I125-L144 HydrophobicContact CD1-CD1 4.07Å; I125-L144 HydrophobicContact CD1-CD2 4.37Å; I125-L144 HydrophobicContact CD1-CG 4.48Å; I125-I461 HydrophobicContact CD1-CG2 4.02Å; I125-C465 HydrophobicContact CD1-CB 4.5Å; I125-F476 HydrophobicContact CG1-CE2 4.34Å; I125-F476 HydrophobicContact CG1-CZ 4.48Å |
| 126 | A | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68 | -17.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L122 C123 V131 L139 H300 I303 | L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.34Å; L122-A126 PolarHBondContact O-N 3.04Å; C123-A126 PolarHBondContact O-N 3.21Å; A126-V131 WeakPolarHBondContact O-CG2 3.42Å; A126-L139 HydrophobicContact CB-CD1 3.94Å; A126-H300 PolarHBondContact O-CE1 3.02Å; A126-H300 PolarHBondContact O-ND1 3.24Å; A126-I303 HydrophobicContact CB-CB 4.23Å; A126-I303 HydrophobicContact CB-CD1 4.02Å; A126-I303 HydrophobicContact CB-CG2 4.07Å |
| 127 | T | 90.8 | Very high | 85.3 | Confident | 20 Ų | 20 | 26.9 Ų | 26.9 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 10 | 174.5 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | C123 A124 I125 P304 A479 F480 | C123-T127 WeakPolarHBondContact O-CB 3.46Å; C123-T127 WeakPolarHBondContact O-CG2 3.33Å; C123-T127 PolarHBondContact O-N 3.27Å; C123-T127 PolarHBondContact O-OG1 3.45Å; A124-T127 PolarHBondContact O-N 3.07Å; A124-T127 PolarHBondContact O-OG1 3.11Å; A124-T127 VanDerWaalsContact O-OG1 3.11Å; I125-T127 PolarHBondContact O-N 2.93Å; T127-P304 HydrophobicContact CG2-CG 4.31Å; T127-A479 PolarHBondContact OG1-N 3.23Å; T127-F480 HydrophobicContact CG2-CB 4.22Å; T127-F480 WeakPolarHBondContact OG1-CB 3.3Å; T127-F480 PolarHBondContact OG1-N 3.18Å |
| 128 | N | 88.2 | Confident | 84.8 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -101 | 115.9 | 175.7 | -172.9 | 53.5 | 0 | 0 | 0 | 110.9 | A124 I125 G475 F476 R477 | A124-N128 PolarHBondContact O-N 3.16Å; I125-N128 WeakPolarHBondContact O-CB 3.26Å; I125-N128 PolarHBondContact O-N 3.04Å; I125-N128 VanDerWaalsContact O-N 3.07Å; N128-G475 PolarHBondContact ND2-O 2.77Å; N128-G475 VanDerWaalsContact ND2-O 3.11Å; N128-G475 PolarHBondContact OD1-O 3.26Å; N128-F476 WeakPolarHBondContact OD1-CA 3.35Å; N128-R477 PolarHBondContact OD1-N 3.26Å |
| 129 | G | 80 | Confident | 84.4 | Confident | 54 Ų | 54 | 28.4 Ų | 28.4 | 56% | 0.557 | 18% | 0.177 | S | C | * | . | S | Bend | trans | 72.3 | -164.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H300 | G129-H300 PolarHBondContact O-CE1 3.3Å; G129-H300 PolarHBondContact O-NE2 3.31Å |
| 130 | E | 75.3 | Confident | 84 | Confident | 160 Ų | 160 | 28.5 Ų | 28.5 | 75% | 0.748 | 18% | 0.178 | S | C | * | . | trans | -91.5 | 126.4 | 173.1 | -73.1 | -173.2 | 163.8 | 0 | 0 | 110.8 | K132 | E130-K132 PolarHBondContact O-N 2.98Å; E130-K132 VanDerWaalsContact O-N 3.16Å | ||
| 131 | V | 69.8 | Low | 83.7 | Confident | 24 Ų | 24 | 27.3 Ų | 27.3 | 15% | 0.145 | 17% | 0.172 | C | C | . | . | trans | -81.8 | 97.2 | 175 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | A126 L139 P299 | A126-V131 WeakPolarHBondContact O-CG2 3.42Å; V131-L139 HydrophobicContact CG1-CD1 3.97Å; V131-L139 HydrophobicContact CG2-CD1 3.88Å; V131-P299 HydrophobicContact CB-CB 3.95Å; V131-P299 HydrophobicContact CB-CG 3.64Å; V131-P299 HydrophobicContact CG1-CB 3.82Å; V131-P299 HydrophobicContact CG1-CG 3.91Å; V131-P299 HydrophobicContact CG2-CB 4.4Å; V131-P299 HydrophobicContact CG2-CG 4.4Å | ||
| 132 | K | 66 | Low | 83.3 | Confident | 128 Ų | 128 | 31.7 Ų | 31.7 | 56% | 0.557 | 19% | 0.188 | S | C | * | . | trans | -80.6 | 168.1 | 171.6 | -60.9 | -173.8 | 177.4 | -177.8 | 0 | 111.3 | E130 G134 F138 | E130-K132 PolarHBondContact O-N 2.98Å; E130-K132 VanDerWaalsContact O-N 3.16Å; K132-G134 PolarHBondContact O-N 3.05Å; K132-F138 HydrophobicContact CB-CD1 4.49Å; K132-F138 HydrophobicContact CB-CE1 3.73Å; K132-F138 HydrophobicContact CB-CZ 4.18Å | ||
| 133 | G | 60.8 | Low | 82.9 | Confident | 66 Ų | 66 | 32.4 Ų | 32.4 | 68% | 0.68 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -74.7 | 36.3 | -167 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 134 | G | 67.7 | Low | 82.5 | Confident | 32 Ų | 32 | 32.7 Ų | 32.7 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -99.4 | 7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K132 F138 | K132-G134 PolarHBondContact O-N 3.05Å; G134-F138 VanDerWaalsContact CA-CB 3.41Å; G134-F138 VanDerWaalsContact O-CB 3.28Å; G134-F138 WeakPolarHBondContact O-CB 3.45Å |
| 135 | G | 80.3 | Confident | 82.2 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | 74.1 | -162.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F138 L139 A290 N291 S293 | G135-F138 PolarHBondContact O-N 3.19Å; G135-L139 WeakPolarHBondContact O-CB 3.5Å; G135-L139 PolarHBondContact O-N 3.12Å; G135-L139 VanDerWaalsContact O-N 3.11Å; G135-A290 CarbonylContact C-O 3.36Å; G135-N291 VanDerWaalsContact CA-O 3.26Å; G135-N291 WeakPolarHBondContact CA-O 3.41Å; G135-S293 VanDerWaalsContact CA-OG 3.23Å; G135-S293 WeakPolarHBondContact CA-OG 3.26Å; G135-S293 PolarHBondContact N-OG 3.03Å; G135-S293 PolarHBondContact O-OG 3.29Å |
| 136 | A | 83.4 | Confident | 82 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F138 L139 L140 A290 N291 | A136-F138 PolarHBondContact O-N 3.33Å; A136-L139 PolarHBondContact O-N 2.67Å; A136-L140 WeakPolarHBondContact O-CB 3.4Å; A136-L140 WeakPolarHBondContact O-CD1 3.35Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.38Å; A136-A290 HydrophobicContact CB-CB 4.04Å; A136-A290 PolarHBondContact N-O 2.95Å; A136-A290 VanDerWaalsContact N-O 3.07Å; A136-N291 WeakPolarHBondContact CB-OD1 3.39Å |
| 137 | Y | 89 | Confident | 81.9 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 177.8 | 170.2 | -103.1 | 0 | 0 | 0 | 112.5 | L140 S141 G149 A400 L401 D404 L406 | Y137-L140 PolarHBondContact O-N 3.02Å; Y137-S141 WeakPolarHBondContact O-CB 3.32Å; Y137-S141 PolarHBondContact O-N 3.3Å; Y137-S141 PolarHBondContact O-OG 3.4Å; Y137-G149 VanDerWaalsContact CE2-O 3.31Å; Y137-G149 WeakPolarHBondContact CE2-O 3.41Å; Y137-A400 HydrophobicContact CD1-CB 3.54Å; Y137-A400 HydrophobicContact CE1-CB 4.17Å; Y137-A400 HydrophobicContact CG-CB 4.39Å; Y137-L401 HydrophobicContact CD2-CB 4.49Å; Y137-L401 HydrophobicContact CD2-CD1 4.4Å; Y137-L401 HydrophobicContact CE1-CB 4.12Å; Y137-L401 HydrophobicContact CE2-CB 4Å; Y137-L401 HydrophobicContact CE2-CD1 3.62Å; Y137-L401 HydrophobicContact CE2-CG 4.29Å; Y137-D404 WeakPolarHBondContact CE1-OD2 3.17Å; Y137-L406 WeakPolarHBondContact OH-CD1 3.29Å |
| 138 | F | 86.6 | Confident | 81.8 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.9 | -174.8 | -89.1 | 0 | 0 | 0 | 111.2 | K132 G134 G135 A136 L140 S141 R142 | K132-F138 HydrophobicContact CB-CD1 4.49Å; K132-F138 HydrophobicContact CB-CE1 3.73Å; K132-F138 HydrophobicContact CB-CZ 4.18Å; G134-F138 VanDerWaalsContact CA-CB 3.41Å; G134-F138 VanDerWaalsContact O-CB 3.28Å; G134-F138 WeakPolarHBondContact O-CB 3.45Å; G135-F138 PolarHBondContact O-N 3.19Å; A136-F138 PolarHBondContact O-N 3.33Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 2.85Å; F138-S141 WeakPolarHBondContact CA-OG 3.43Å; F138-S141 PolarHBondContact O-OG 3.12Å; F138-R142 HydrophobicContact CD1-CG 4.12Å; F138-R142 HydrophobicContact CD2-CG 4.22Å; F138-R142 HydrophobicContact CE1-CG 3.84Å; F138-R142 HydrophobicContact CE2-CG 3.98Å; F138-R142 HydrophobicContact CG-CG 4.29Å; F138-R142 HydrophobicContact CZ-CG 3.79Å; F138-R142 WeakPolarHBondContact O-CB 3.43Å; F138-R142 VanDerWaalsContact O-CG 3.22Å; F138-R142 WeakPolarHBondContact O-CG 3.31Å; F138-R142 PolarHBondContact O-N 3.06Å; F138-R142 VanDerWaalsContact O-N 3.1Å |
| 139 | L | 86 | Confident | 81.9 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.6 | 179.3 | 152.7 | 0 | 0 | 0 | 112 | L122 I125 A126 V131 G135 A136 S143 I303 | L122-L139 HydrophobicContact CD1-CD2 4.36Å; I125-L139 HydrophobicContact CB-CD2 3.98Å; I125-L139 HydrophobicContact CG2-CD2 3.31Å; I125-L139 HydrophobicContact CG2-CG 4.21Å; A126-L139 HydrophobicContact CB-CD1 3.94Å; V131-L139 HydrophobicContact CG1-CD1 3.97Å; V131-L139 HydrophobicContact CG2-CD1 3.88Å; G135-L139 WeakPolarHBondContact O-CB 3.5Å; G135-L139 PolarHBondContact O-N 3.12Å; G135-L139 VanDerWaalsContact O-N 3.11Å; A136-L139 PolarHBondContact O-N 2.67Å; L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 3.08Å; L139-S143 PolarHBondContact O-OG 3.23Å; L139-I303 HydrophobicContact CD1-CD1 4.2Å |
| 140 | L | 87.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.3 | -51.7 | 178.1 | -69.7 | 166.8 | 0 | 0 | 0 | 112.3 | I125 A136 Y137 F138 R142 S143 L144 I152 I461 | I125-L140 HydrophobicContact CD1-CD2 3.76Å; I125-L140 HydrophobicContact CG2-CD2 4.42Å; A136-L140 WeakPolarHBondContact O-CB 3.4Å; A136-L140 WeakPolarHBondContact O-CD1 3.35Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.38Å; Y137-L140 PolarHBondContact O-N 3.02Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 2.85Å; L140-R142 PolarHBondContact O-N 3.04Å; L140-S143 PolarHBondContact O-N 2.88Å; L140-L144 HydrophobicContact CD2-CD1 4.07Å; L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 2.92Å; L140-I152 HydrophobicContact CD1-CG2 3.79Å; L140-I461 HydrophobicContact CD2-CG1 4.17Å |
| 141 | S | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | -175.8 | 54 | 0 | 0 | 0 | 0 | 113.5 | Y137 F138 S143 G145 | Y137-S141 WeakPolarHBondContact O-CB 3.32Å; Y137-S141 PolarHBondContact O-N 3.3Å; Y137-S141 PolarHBondContact O-OG 3.4Å; F138-S141 WeakPolarHBondContact CA-OG 3.43Å; F138-S141 PolarHBondContact O-OG 3.12Å; S141-S143 VanDerWaalsContact C-N 3.35Å; S141-G145 CarbonylContact O-C 3.56Å; S141-G145 WeakPolarHBondContact O-CA 3.21Å; S141-G145 PolarHBondContact O-N 3.11Å |
| 142 | R | 86.5 | Confident | 84.3 | Confident | 91 Ų | 91 | 21.4 Ų | 21.4 | 34% | 0.343 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -77 | -21.4 | -180 | -56.9 | -57.5 | 162.4 | 140.2 | -4.7 | 113.7 | F138 L140 D404 W530 | F138-R142 HydrophobicContact CD1-CG 4.12Å; F138-R142 HydrophobicContact CD2-CG 4.22Å; F138-R142 HydrophobicContact CE1-CG 3.84Å; F138-R142 HydrophobicContact CE2-CG 3.98Å; F138-R142 HydrophobicContact CG-CG 4.29Å; F138-R142 HydrophobicContact CZ-CG 3.79Å; F138-R142 WeakPolarHBondContact O-CB 3.43Å; F138-R142 VanDerWaalsContact O-CG 3.22Å; F138-R142 WeakPolarHBondContact O-CG 3.31Å; F138-R142 PolarHBondContact O-N 3.06Å; F138-R142 VanDerWaalsContact O-N 3.1Å; L140-R142 PolarHBondContact O-N 3.04Å; R142-D404 IonicContact NH2-OD1 3.69Å; R142-D404 PolarHBondContact NH2-OD1 3.04Å; R142-D404 IonicContact NH2-OD2 3.3Å; R142-D404 PolarHBondContact NH2-OD2 3.4Å; R142-W530 VanDerWaalsContact CZ-CZ2 3.45Å |
| 143 | S | 85.1 | Confident | 85.5 | Confident | 18 Ų | 18 | 15.4 Ų | 15.4 | 13% | 0.126 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -92.4 | -33 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | L139 L140 S141 | L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 3.08Å; L139-S143 PolarHBondContact O-OG 3.23Å; L140-S143 PolarHBondContact O-N 2.88Å; S141-S143 VanDerWaalsContact C-N 3.35Å |
| 144 | L | 84.9 | Confident | 87 | Confident | 7 Ų | 7 | 14.5 Ų | 14.5 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -106.1 | -15 | -171.3 | -59 | 173.4 | 0 | 0 | 0 | 113.5 | I125 L140 F148 I152 A464 A468 F476 | I125-L144 HydrophobicContact CD1-CD1 4.07Å; I125-L144 HydrophobicContact CD1-CD2 4.37Å; I125-L144 HydrophobicContact CD1-CG 4.48Å; L140-L144 HydrophobicContact CD2-CD1 4.07Å; L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 2.92Å; L144-F148 HydrophobicContact CB-CB 3.99Å; L144-I152 HydrophobicContact CD1-CD1 3.95Å; L144-A464 HydrophobicContact CB-CB 4.38Å; L144-A464 HydrophobicContact CD1-CB 3.63Å; L144-A464 HydrophobicContact CD2-CB 3.86Å; L144-A464 HydrophobicContact CG-CB 4.16Å; L144-A468 HydrophobicContact CD2-CB 4.3Å; L144-F476 HydrophobicContact CD2-CE2 4.21Å |
| 145 | G | 86.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | trans | 95.8 | 169.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S141 E147 G149 G531 | S141-G145 CarbonylContact O-C 3.56Å; S141-G145 WeakPolarHBondContact O-CA 3.21Å; S141-G145 PolarHBondContact O-N 3.11Å; G145-E147 PolarHBondContact O-N 3.25Å; G145-G149 WeakPolarHBondContact O-CA 3.44Å; G145-G149 PolarHBondContact O-N 3.28Å; G145-G531 WeakPolarHBondContact CA-O 3.3Å | ||
| 146 | P | 88.4 | Confident | 88.8 | Confident | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.039 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.8 | -32.5 | -172.7 | 26 | -33.3 | 0 | 0 | 0 | 113.7 | G150 L406 P526 V528 W530 G531 | P146-G150 PolarHBondContact O-N 2.9Å; P146-L406 HydrophobicContact CB-CD2 3.97Å; P146-P526 HydrophobicContact CB-CG 3.98Å; P146-P526 HydrophobicContact CG-CG 4.1Å; P146-V528 HydrophobicContact CB-CG2 3.73Å; P146-V528 HydrophobicContact CG-CG2 3.81Å; P146-W530 HydrophobicContact CB-CE3 3.73Å; P146-W530 HydrophobicContact CB-CZ3 3.81Å; P146-W530 HydrophobicContact CG-CE3 4.42Å; P146-G531 WeakPolarHBondContact CD-O 3.5Å |
| 147 | E | 88.9 | Confident | 89.2 | Confident | 19 Ų | 19 | 13.5 Ų | 13.5 | 9% | 0.089 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69 | -48.8 | -175 | -52.4 | 86 | 171.7 | 0 | 0 | 111.7 | G145 S151 Y518 L521 L522 S532 | G145-E147 PolarHBondContact O-N 3.25Å; E147-S151 WeakPolarHBondContact O-CB 3.37Å; E147-S151 PolarHBondContact O-N 3.19Å; E147-S151 PolarHBondContact O-OG 3.39Å; E147-Y518 HydrophobicContact CB-CD2 3.75Å; E147-Y518 HydrophobicContact CB-CE2 3.47Å; E147-Y518 VanDerWaalsContact CB-CE2 3.47Å; E147-Y518 HydrophobicContact CG-CE2 4.41Å; E147-L521 HydrophobicContact CG-CB 4.48Å; E147-L522 HydrophobicContact CG-CD2 3.88Å; E147-L522 HydrophobicContact CG-CG 4.17Å; E147-S532 WeakPolarHBondContact OE1-CB 3.15Å |
| 148 | F | 89.6 | Confident | 89.4 | Confident | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.035 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.7 | -46.2 | 173.9 | -72.2 | -64.3 | 0 | 0 | 0 | 111.6 | L144 G150 S151 I152 Y463 A464 D467 Y518 | L144-F148 HydrophobicContact CB-CB 3.99Å; F148-G150 PolarHBondContact O-N 2.98Å; F148-S151 PolarHBondContact O-N 3.36Å; F148-I152 HydrophobicContact CB-CD1 4.29Å; F148-I152 WeakPolarHBondContact O-CB 3.1Å; F148-I152 WeakPolarHBondContact O-CD1 3.45Å; F148-I152 VanDerWaalsContact O-CG1 3.24Å; F148-I152 WeakPolarHBondContact O-CG1 3.44Å; F148-I152 PolarHBondContact O-N 3.24Å; F148-Y463 AromaticContact CE1-CD1 3.81Å; F148-Y463 HydrophobicContact CE1-CD1 3.81Å; F148-Y463 HydrophobicContact CE1-CE1 4.04Å; F148-Y463 HydrophobicContact CZ-CD1 4.02Å; F148-Y463 AromaticContact CZ-CE1 3.89Å; F148-Y463 HydrophobicContact CZ-CE1 3.89Å; F148-A464 HydrophobicContact CB-CB 3.93Å; F148-A464 HydrophobicContact CD1-CB 3.64Å; F148-A464 HydrophobicContact CD2-CB 3.95Å; F148-A464 HydrophobicContact CE1-CB 4.1Å; F148-A464 HydrophobicContact CE2-CB 4.36Å; F148-A464 HydrophobicContact CG-CB 3.57Å; F148-A464 HydrophobicContact CZ-CB 4.42Å; F148-D467 HydrophobicContact CE2-CB 4.42Å; F148-D467 HydrophobicContact CZ-CB 4.41Å; F148-Y518 HydrophobicContact CD1-CE2 4.34Å; F148-Y518 HydrophobicContact CE1-CE2 4.08Å; F148-Y518 HydrophobicContact CE2-CE2 4.36Å; F148-Y518 HydrophobicContact CZ-CE2 4.1Å |
| 149 | G | 89.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.7 | -48.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y137 G145 G153 | Y137-G149 VanDerWaalsContact CE2-O 3.31Å; Y137-G149 WeakPolarHBondContact CE2-O 3.41Å; G145-G149 WeakPolarHBondContact O-CA 3.44Å; G145-G149 PolarHBondContact O-N 3.28Å; G149-G153 PolarHBondContact O-N 3.49Å |
| 150 | G | 90.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | P146 F148 L154 L401 | P146-G150 PolarHBondContact O-N 2.9Å; F148-G150 PolarHBondContact O-N 2.98Å; G150-L154 PolarHBondContact O-N 2.63Å; G150-L154 VanDerWaalsContact O-N 3.1Å; G150-L401 VanDerWaalsContact O-CD1 3.24Å; G150-L401 WeakPolarHBondContact O-CD1 3.42Å |
| 151 | S | 92.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | -179.3 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | E147 F148 L155 | E147-S151 WeakPolarHBondContact O-CB 3.37Å; E147-S151 PolarHBondContact O-N 3.19Å; E147-S151 PolarHBondContact O-OG 3.39Å; F148-S151 PolarHBondContact O-N 3.36Å; S151-L155 PolarHBondContact O-N 3.15Å |
| 152 | I | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 177.2 | -64.6 | 164 | 0 | 0 | 0 | 110.4 | L140 L144 F148 L154 L155 F156 L460 I461 A464 | L140-I152 HydrophobicContact CD1-CG2 3.79Å; L144-I152 HydrophobicContact CD1-CD1 3.95Å; F148-I152 HydrophobicContact CB-CD1 4.29Å; F148-I152 WeakPolarHBondContact O-CB 3.1Å; F148-I152 WeakPolarHBondContact O-CD1 3.45Å; F148-I152 VanDerWaalsContact O-CG1 3.24Å; F148-I152 WeakPolarHBondContact O-CG1 3.44Å; F148-I152 PolarHBondContact O-N 3.24Å; I152-L154 PolarHBondContact O-N 3.37Å; I152-L155 PolarHBondContact O-N 2.55Å; I152-F156 WeakPolarHBondContact O-CB 3.39Å; I152-F156 PolarHBondContact O-N 3.45Å; I152-L460 HydrophobicContact CD1-CB 4.16Å; I152-L460 HydrophobicContact CG1-CB 3.65Å; I152-L460 HydrophobicContact CG1-CD1 4.15Å; I152-I461 HydrophobicContact CD1-CG1 4.04Å; I152-I461 HydrophobicContact CG1-CG1 4.48Å; I152-I461 HydrophobicContact CG2-CD1 4.19Å; I152-I461 HydrophobicContact CG2-CG1 3.86Å; I152-A464 HydrophobicContact CD1-CB 4.44Å |
| 153 | G | 91.4 | Very high | 91 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G149 S157 I397 | G149-G153 PolarHBondContact O-N 3.49Å; G153-S157 VanDerWaalsContact O-CB 3.29Å; G153-S157 WeakPolarHBondContact O-CB 3.3Å; G153-S157 PolarHBondContact O-N 2.55Å; G153-I397 WeakPolarHBondContact O-CG2 3.38Å |
| 154 | L | 92.2 | Very high | 91.5 | Very high | 46 Ų | 46 | 9.8 Ų | 9.8 | 24% | 0.241 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64 | -49.7 | 178.4 | -166 | 95.1 | 0 | 0 | 0 | 111.4 | G150 I152 S157 F158 F398 L401 L517 | G150-L154 PolarHBondContact O-N 2.63Å; G150-L154 VanDerWaalsContact O-N 3.1Å; I152-L154 PolarHBondContact O-N 3.37Å; L154-S157 PolarHBondContact O-N 2.9Å; L154-F158 PolarHBondContact O-N 3.45Å; L154-F398 HydrophobicContact CD1-CE2 3.91Å; L154-L401 HydrophobicContact CB-CD1 4.5Å; L154-L401 HydrophobicContact CD1-CD2 4.04Å; L154-L517 HydrophobicContact CD2-CD1 3.5Å; L154-L517 VanDerWaalsContact CD2-CD1 3.5Å; L154-L517 HydrophobicContact CD2-CD2 3.92Å; L154-L517 HydrophobicContact CD2-CG 4.38Å |
| 155 | L | 92.8 | Very high | 92 | Very high | 8 Ų | 8 | 9.4 Ų | 9.4 | 4% | 0.042 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 179.9 | -78.1 | 176.1 | 0 | 0 | 0 | 112.6 | S151 I152 F158 A159 F453 L460 I514 | S151-L155 PolarHBondContact O-N 3.15Å; I152-L155 PolarHBondContact O-N 2.55Å; L155-F158 PolarHBondContact O-N 2.73Å; L155-A159 WeakPolarHBondContact O-CB 3.47Å; L155-A159 PolarHBondContact O-N 2.97Å; L155-F453 HydrophobicContact CD2-CD1 4.19Å; L155-L460 HydrophobicContact CD1-CD1 3.6Å; L155-I514 HydrophobicContact CD1-CD1 3.67Å; L155-I514 HydrophobicContact CD1-CG1 3.42Å; L155-I514 VanDerWaalsContact CD1-CG1 3.42Å; L155-I514 HydrophobicContact CG-CG1 4.47Å |
| 156 | F | 91.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 9.5 Ų | 9.5 | 3% | 0.026 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | -179.4 | -175.8 | -129.7 | 0 | 0 | 0 | 111.8 | I152 F158 A159 N160 M287 I397 F454 | I152-F156 WeakPolarHBondContact O-CB 3.39Å; I152-F156 PolarHBondContact O-N 3.45Å; F156-F158 VanDerWaalsContact C-N 3.33Å; F156-A159 PolarHBondContact O-N 3.13Å; F156-N160 VanDerWaalsContact CE2-ND2 3.27Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.16Å; F156-N160 WeakPolarHBondContact CZ-ND2 3.27Å; F156-N160 WeakPolarHBondContact O-CB 3.42Å; F156-N160 PolarHBondContact O-N 3.35Å; F156-N160 PolarHBondContact O-ND2 2.86Å; F156-M287 HydrophobicContact CD1-CE 4.1Å; F156-M287 HydrophobicContact CD1-SD 4.42Å; F156-M287 HydrophobicContact CD2-CE 3.34Å; F156-M287 HydrophobicContact CE1-CB 4.22Å; F156-M287 HydrophobicContact CE1-CE 3.95Å; F156-M287 HydrophobicContact CE1-SD 4.06Å; F156-M287 HydrophobicContact CE2-CB 4.42Å; F156-M287 HydrophobicContact CE2-CE 3.17Å; F156-M287 HydrophobicContact CE2-SD 4.26Å; F156-M287 HydrophobicContact CG-CE 3.83Å; F156-M287 HydrophobicContact CZ-CB 3.69Å; F156-M287 HydrophobicContact CZ-CE 3.51Å; F156-M287 HydrophobicContact CZ-CG 4.36Å; F156-M287 HydrophobicContact CZ-SD 3.99Å; F156-I397 HydrophobicContact CD1-CD1 3.4Å; F156-I397 VanDerWaalsContact CD1-CD1 3.4Å; F156-I397 HydrophobicContact CD1-CG1 4.36Å; F156-I397 HydrophobicContact CE1-CD1 3.35Å; F156-I397 HydrophobicContact CE1-CG1 4.45Å; F156-I397 HydrophobicContact CG-CD1 4.39Å; F156-I397 HydrophobicContact CZ-CD1 4.3Å; F156-F454 HydrophobicContact CD2-CE1 4.24Å; F156-F454 HydrophobicContact CE2-CD1 4.5Å; F156-F454 AromaticContact CE2-CE1 3.8Å; F156-F454 HydrophobicContact CE2-CE1 3.8Å |
| 157 | S | 92.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 9.7 Ų | 9.7 | 4% | 0.042 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 169.6 | -179 | 0 | 0 | 0 | 0 | 111.6 | G153 L154 A161 A394 F398 | G153-S157 VanDerWaalsContact O-CB 3.29Å; G153-S157 WeakPolarHBondContact O-CB 3.3Å; G153-S157 PolarHBondContact O-N 2.55Å; L154-S157 PolarHBondContact O-N 2.9Å; S157-A161 PolarHBondContact O-N 3.3Å; S157-A394 WeakPolarHBondContact O-CB 3.3Å; S157-A394 PolarHBondContact OG-O 3.29Å; S157-A394 VanDerWaalsContact OG-O 3.1Å; S157-F398 WeakPolarHBondContact OG-CB 3.33Å |
| 158 | F | 93.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 8.8 Ų | 8.8 | 34% | 0.342 | 4% | 0.043 | S | C | . | . | H | α-helix | trans | -66 | -45.2 | 178.4 | -171.8 | -96.1 | 0 | 0 | 0 | 111.7 | L154 L155 F156 N160 A161 V162 I433 F453 | L154-F158 PolarHBondContact O-N 3.45Å; L155-F158 PolarHBondContact O-N 2.73Å; F156-F158 VanDerWaalsContact C-N 3.33Å; F158-N160 VanDerWaalsContact C-N 3.33Å; F158-N160 PolarHBondContact O-N 3.42Å; F158-A161 WeakPolarHBondContact O-CB 3.42Å; F158-A161 PolarHBondContact O-N 3.41Å; F158-V162 HydrophobicContact CD1-CG2 4Å; F158-V162 HydrophobicContact CE1-CG2 3.59Å; F158-V162 HydrophobicContact CZ-CG2 3.93Å; F158-V162 WeakPolarHBondContact O-CG2 3.45Å; F158-V162 PolarHBondContact O-N 3.05Å; F158-I433 HydrophobicContact CD2-CD1 4.26Å; F158-I433 HydrophobicContact CD2-CG2 4.49Å; F158-I433 HydrophobicContact CE2-CD1 4.33Å; F158-I433 HydrophobicContact CE2-CG2 3.98Å; F158-I433 HydrophobicContact CZ-CG2 4.47Å; F158-F453 AromaticContact CD1-CD1 3.93Å; F158-F453 HydrophobicContact CD1-CD1 3.93Å; F158-F453 HydrophobicContact CD1-CD2 4.06Å; F158-F453 AromaticContact CD1-CE1 3.83Å; F158-F453 HydrophobicContact CD1-CE1 3.83Å; F158-F453 HydrophobicContact CD1-CE2 4.01Å; F158-F453 HydrophobicContact CD1-CG 4.05Å; F158-F453 AromaticContact CD1-CZ 3.88Å; F158-F453 HydrophobicContact CD1-CZ 3.88Å; F158-F453 HydrophobicContact CE1-CD1 4.32Å; F158-F453 AromaticContact CE1-CD2 3.92Å; F158-F453 HydrophobicContact CE1-CD2 3.92Å; F158-F453 AromaticContact CE1-CE1 3.88Å; F158-F453 HydrophobicContact CE1-CE1 3.88Å; F158-F453 AromaticContact CE1-CE2 3.46Å; F158-F453 HydrophobicContact CE1-CE2 3.46Å; F158-F453 VanDerWaalsContact CE1-CE2 3.46Å; F158-F453 HydrophobicContact CE1-CG 4.35Å; F158-F453 AromaticContact CE1-CZ 3.44Å; F158-F453 HydrophobicContact CE1-CZ 3.44Å; F158-F453 VanDerWaalsContact CE1-CZ 3.44Å; F158-F453 HydrophobicContact CZ-CZ 4.44Å |
| 159 | A | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -57.2 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L155 F156 A161 V162 A163 F453 F454 | L155-A159 WeakPolarHBondContact O-CB 3.47Å; L155-A159 PolarHBondContact O-N 2.97Å; F156-A159 PolarHBondContact O-N 3.13Å; A159-A161 VanDerWaalsContact C-N 3.35Å; A159-A161 PolarHBondContact O-N 3.34Å; A159-V162 PolarHBondContact O-N 3.3Å; A159-A163 WeakPolarHBondContact O-CB 3.37Å; A159-A163 PolarHBondContact O-N 3.46Å; A159-F453 HydrophobicContact CB-CB 3.9Å; A159-F454 HydrophobicContact CB-CD1 4.49Å; A159-F454 HydrophobicContact CB-CD2 3.89Å; A159-F454 HydrophobicContact CB-CE1 4.43Å; A159-F454 HydrophobicContact CB-CE2 3.79Å; A159-F454 HydrophobicContact CB-CG 4.25Å; A159-F454 HydrophobicContact CB-CZ 4.08Å |
| 160 | N | 93.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 8.4 Ų | 8.4 | 7% | 0.07 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 175.4 | -75.3 | -47.4 | 0 | 0 | 0 | 112.5 | F156 F158 A163 V164 A394 | F156-N160 VanDerWaalsContact CE2-ND2 3.27Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.16Å; F156-N160 WeakPolarHBondContact CZ-ND2 3.27Å; F156-N160 WeakPolarHBondContact O-CB 3.42Å; F156-N160 PolarHBondContact O-N 3.35Å; F156-N160 PolarHBondContact O-ND2 2.86Å; F158-N160 VanDerWaalsContact C-N 3.33Å; F158-N160 PolarHBondContact O-N 3.42Å; N160-A163 WeakPolarHBondContact O-CB 3.08Å; N160-A163 PolarHBondContact O-N 3.35Å; N160-V164 PolarHBondContact O-N 3.1Å; N160-A394 HydrophobicContact CB-CB 3.69Å |
| 161 | A | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | S157 F158 A159 A163 V164 A394 T430 I433 | S157-A161 PolarHBondContact O-N 3.3Å; F158-A161 WeakPolarHBondContact O-CB 3.42Å; F158-A161 PolarHBondContact O-N 3.41Å; A159-A161 VanDerWaalsContact C-N 3.35Å; A159-A161 PolarHBondContact O-N 3.34Å; A161-A163 VanDerWaalsContact C-N 3.34Å; A161-V164 PolarHBondContact O-N 3.24Å; A161-A394 HydrophobicContact CB-CB 4.24Å; A161-T430 HydrophobicContact CB-CG2 3.88Å; A161-I433 HydrophobicContact CB-CB 4.26Å; A161-I433 HydrophobicContact CB-CD1 4.4Å; A161-I433 HydrophobicContact CB-CG2 3.94Å |
| 162 | V | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.006 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -68.1 | -35.1 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | F158 A159 V164 A165 L166 I433 V437 I449 I450 | F158-V162 HydrophobicContact CD1-CG2 4Å; F158-V162 HydrophobicContact CE1-CG2 3.59Å; F158-V162 HydrophobicContact CZ-CG2 3.93Å; F158-V162 WeakPolarHBondContact O-CG2 3.45Å; F158-V162 PolarHBondContact O-N 3.05Å; A159-V162 PolarHBondContact O-N 3.3Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 3.31Å; V162-A165 VanDerWaalsContact O-CB 3.31Å; V162-A165 WeakPolarHBondContact O-CB 3.28Å; V162-A165 PolarHBondContact O-N 2.9Å; V162-L166 PolarHBondContact O-N 3.43Å; V162-I433 HydrophobicContact CG2-CG2 4.28Å; V162-V437 HydrophobicContact CG1-CG1 3.99Å; V162-V437 HydrophobicContact CG1-CG2 4.03Å; V162-V437 HydrophobicContact CG2-CG2 4.24Å; V162-I449 HydrophobicContact CG1-CG2 4.29Å; V162-I450 HydrophobicContact CB-CG1 4.11Å; V162-I450 HydrophobicContact CG1-CD1 4Å; V162-I450 HydrophobicContact CG1-CG1 3.37Å |
| 163 | A | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.8 | -33.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A159 N160 A161 A165 L166 Y167 F454 | A159-A163 WeakPolarHBondContact O-CB 3.37Å; A159-A163 PolarHBondContact O-N 3.46Å; N160-A163 WeakPolarHBondContact O-CB 3.08Å; N160-A163 PolarHBondContact O-N 3.35Å; A161-A163 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.19Å; A163-L166 PolarHBondContact O-N 3Å; A163-Y167 HydrophobicContact CB-CD2 4.48Å; A163-Y167 HydrophobicContact CB-CE2 3.97Å; A163-Y167 WeakPolarHBondContact O-CD2 3.47Å; A163-Y167 PolarHBondContact O-N 3.08Å; A163-F454 HydrophobicContact CB-CE2 4.24Å |
| 164 | V | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -54.1 | -43.2 | 172.8 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | N160 A161 V162 Y167 V168 M391 A434 | N160-V164 PolarHBondContact O-N 3.1Å; A161-V164 PolarHBondContact O-N 3.24Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 3.31Å; V164-Y167 PolarHBondContact O-N 2.95Å; V164-V168 HydrophobicContact CG1-CG2 4.17Å; V164-V168 WeakPolarHBondContact O-CB 3.45Å; V164-V168 VanDerWaalsContact O-CG2 3.22Å; V164-V168 WeakPolarHBondContact O-CG2 3.37Å; V164-V168 PolarHBondContact O-N 3.46Å; V164-M391 HydrophobicContact CG2-CB 3.92Å; V164-A434 HydrophobicContact CB-CB 4.08Å; V164-A434 HydrophobicContact CG1-CB 4.04Å |
| 165 | A | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V162 A163 Y167 V168 V169 V437 I438 | V162-A165 VanDerWaalsContact O-CB 3.31Å; V162-A165 WeakPolarHBondContact O-CB 3.28Å; V162-A165 PolarHBondContact O-N 2.9Å; A163-A165 PolarHBondContact O-N 3.19Å; A165-Y167 PolarHBondContact O-N 2.69Å; A165-V168 PolarHBondContact O-N 2.81Å; A165-V169 VanDerWaalsContact O-CB 3.26Å; A165-V169 WeakPolarHBondContact O-CB 3.28Å; A165-V169 WeakPolarHBondContact O-CG2 3.23Å; A165-V169 PolarHBondContact O-N 3.44Å; A165-V437 HydrophobicContact CB-CB 3.56Å; A165-V437 HydrophobicContact CB-CG1 3.49Å; A165-V437 VanDerWaalsContact CB-CG1 3.49Å; A165-I438 HydrophobicContact CB-CG1 3.72Å |
| 166 | L | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 177.3 | 179.6 | 81.6 | 0 | 0 | 0 | 112.1 | I87 V162 A163 G170 P281 L443 I446 A447 I450 | I87-L166 HydrophobicContact CD1-CD2 4.43Å; V162-L166 PolarHBondContact O-N 3.43Å; A163-L166 PolarHBondContact O-N 3Å; L166-G170 PolarHBondContact O-N 3.01Å; L166-P281 HydrophobicContact CD2-CB 3.67Å; L166-P281 HydrophobicContact CD2-CG 4.29Å; L166-L443 HydrophobicContact CD1-CD1 3.43Å; L166-L443 VanDerWaalsContact CD1-CD1 3.43Å; L166-L443 HydrophobicContact CD1-CG 3.95Å; L166-L443 HydrophobicContact CG-CD1 4.01Å; L166-L443 VanDerWaalsContact O-CD1 3.27Å; L166-L443 WeakPolarHBondContact O-CD1 3.34Å; L166-I446 HydrophobicContact CB-CG2 4.03Å; L166-I446 HydrophobicContact CD1-CB 4.48Å; L166-I446 HydrophobicContact CD1-CG2 4.08Å; L166-A447 HydrophobicContact CD1-CB 3.97Å; L166-I450 HydrophobicContact CB-CD1 3.3Å; L166-I450 HydrophobicContact CD1-CD1 4.13Å; L166-I450 HydrophobicContact CD2-CD1 3.81Å; L166-I450 HydrophobicContact CG-CD1 3.95Å |
| 167 | Y | 94.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 11.8 Ų | 11.8 | 4% | 0.039 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69 | -38.7 | -177.8 | -61.8 | -52.4 | 0 | 0 | 0 | 112.1 | V86 A163 V164 A165 G170 F171 S383 S386 S390 | V86-Y167 HydrophobicContact CG2-CD1 4.34Å; A163-Y167 HydrophobicContact CB-CD2 4.48Å; A163-Y167 HydrophobicContact CB-CE2 3.97Å; A163-Y167 WeakPolarHBondContact O-CD2 3.47Å; A163-Y167 PolarHBondContact O-N 3.08Å; V164-Y167 PolarHBondContact O-N 2.95Å; A165-Y167 PolarHBondContact O-N 2.69Å; Y167-G170 PolarHBondContact O-N 2.82Å; Y167-F171 PolarHBondContact O-N 3.21Å; Y167-S383 WeakPolarHBondContact O-CB 3.35Å; Y167-S386 VanDerWaalsContact CD2-C 3.49Å; Y167-S390 WeakPolarHBondContact CE2-OG 3.14Å |
| 168 | V | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -73.2 | -39 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | V164 A165 G170 F171 G172 S198 T201 A202 L205 A387 I438 | V164-V168 HydrophobicContact CG1-CG2 4.17Å; V164-V168 WeakPolarHBondContact O-CB 3.45Å; V164-V168 VanDerWaalsContact O-CG2 3.22Å; V164-V168 WeakPolarHBondContact O-CG2 3.37Å; V164-V168 PolarHBondContact O-N 3.46Å; A165-V168 PolarHBondContact O-N 2.81Å; V168-G170 VanDerWaalsContact C-N 3.33Å; V168-F171 WeakPolarHBondContact O-CB 3.47Å; V168-F171 PolarHBondContact O-N 3.41Å; V168-G172 PolarHBondContact O-N 3.42Å; V168-S198 WeakPolarHBondContact CG1-O 3.34Å; V168-S198 PolarHBondContact O-OG 3.36Å; V168-T201 HydrophobicContact CG1-CG2 4.11Å; V168-A202 HydrophobicContact CG1-CB 4.39Å; V168-L205 HydrophobicContact CG2-CD1 3.69Å; V168-A387 HydrophobicContact CG2-CB 3.83Å; V168-I438 HydrophobicContact CB-CD1 4.49Å; V168-I438 HydrophobicContact CG1-CD1 4.26Å |
| 169 | V | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 172.5 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | A165 F171 G172 E173 I194 S198 I438 L443 I446 | A165-V169 VanDerWaalsContact O-CB 3.26Å; A165-V169 WeakPolarHBondContact O-CB 3.28Å; A165-V169 WeakPolarHBondContact O-CG2 3.23Å; A165-V169 PolarHBondContact O-N 3.44Å; V169-F171 VanDerWaalsContact C-N 3.33Å; V169-F171 PolarHBondContact O-N 2.86Å; V169-G172 PolarHBondContact O-N 2.95Å; V169-G172 VanDerWaalsContact O-N 3.14Å; V169-E173 PolarHBondContact O-N 3.44Å; V169-I194 HydrophobicContact CG1-CG2 4.02Å; V169-S198 WeakPolarHBondContact CA-OG 3.34Å; V169-I438 HydrophobicContact CG2-CB 4.43Å; V169-I438 HydrophobicContact CG2-CG1 4.17Å; V169-I438 HydrophobicContact CG2-CG2 4.38Å; V169-L443 HydrophobicContact CB-CD1 4.47Å; V169-L443 HydrophobicContact CG1-CB 4.46Å; V169-L443 HydrophobicContact CG1-CD1 4.26Å; V169-I446 HydrophobicContact CB-CD1 4.29Å; V169-I446 HydrophobicContact CG1-CD1 4.27Å; V169-I446 HydrophobicContact CG2-CD1 3.86Å |
| 170 | G | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62 | -37.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L166 Y167 V168 S174 | L166-G170 PolarHBondContact O-N 3.01Å; Y167-G170 PolarHBondContact O-N 2.82Å; V168-G170 VanDerWaalsContact C-N 3.33Å; G170-S174 PolarHBondContact O-N 2.94Å |
| 171 | F | 94.4 | Very high | 92.6 | Very high | 26 Ų | 26 | 17.9 Ų | 17.9 | 11% | 0.114 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 169.7 | 175.7 | -100.2 | 0 | 0 | 0 | 111.1 | Y167 V168 V169 E173 S174 V175 I197 T201 F380 L384 | Y167-F171 PolarHBondContact O-N 3.21Å; V168-F171 WeakPolarHBondContact O-CB 3.47Å; V168-F171 PolarHBondContact O-N 3.41Å; V169-F171 VanDerWaalsContact C-N 3.33Å; V169-F171 PolarHBondContact O-N 2.86Å; F171-E173 PolarHBondContact O-N 3.22Å; F171-S174 PolarHBondContact O-N 2.81Å; F171-V175 HydrophobicContact CD1-CG2 4.11Å; F171-V175 HydrophobicContact CD2-CG2 4.36Å; F171-V175 HydrophobicContact CE1-CG2 3.67Å; F171-V175 HydrophobicContact CE2-CG2 3.94Å; F171-V175 HydrophobicContact CG-CG2 4.44Å; F171-V175 HydrophobicContact CZ-CG2 3.57Å; F171-V175 WeakPolarHBondContact O-CG2 3.21Å; F171-V175 PolarHBondContact O-N 2.85Å; F171-I197 HydrophobicContact CE1-CG2 4.49Å; F171-T201 HydrophobicContact CD1-CG2 3.73Å; F171-T201 WeakPolarHBondContact CD1-OG1 3.47Å; F171-T201 HydrophobicContact CE1-CG2 3.92Å; F171-T201 WeakPolarHBondContact CE1-OG1 3.33Å; F171-F380 HydrophobicContact CD2-CB 4.31Å; F171-F380 AromaticContact CD2-CD1 3.56Å; F171-F380 HydrophobicContact CD2-CD1 3.56Å; F171-F380 HydrophobicContact CD2-CE1 4.13Å; F171-F380 HydrophobicContact CD2-CG 4.1Å; F171-F380 HydrophobicContact CE2-CB 4.01Å; F171-F380 AromaticContact CE2-CD1 3.45Å; F171-F380 HydrophobicContact CE2-CD1 3.45Å; F171-F380 VanDerWaalsContact CE2-CD1 3.45Å; F171-F380 HydrophobicContact CE2-CD2 4.27Å; F171-F380 AromaticContact CE2-CE1 3.91Å; F171-F380 HydrophobicContact CE2-CE1 3.91Å; F171-F380 AromaticContact CE2-CG 3.66Å; F171-F380 HydrophobicContact CE2-CG 3.66Å; F171-F380 HydrophobicContact CE2-CZ 4.49Å; F171-L384 HydrophobicContact CD1-CD2 4.42Å; F171-L384 HydrophobicContact CD2-CD1 4.26Å; F171-L384 HydrophobicContact CD2-CD2 4.12Å; F171-L384 HydrophobicContact CD2-CG 3.99Å; F171-L384 HydrophobicContact CE2-CD1 3.89Å; F171-L384 HydrophobicContact CE2-CD2 4.3Å; F171-L384 HydrophobicContact CE2-CG 4.12Å; F171-L384 HydrophobicContact CG-CD2 4.18Å; F171-L384 HydrophobicContact CZ-CD1 4.39Å |
| 172 | G | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V168 V169 S174 V175 V176 | V168-G172 PolarHBondContact O-N 3.42Å; V169-G172 PolarHBondContact O-N 2.95Å; V169-G172 VanDerWaalsContact O-N 3.14Å; G172-S174 VanDerWaalsContact C-N 3.35Å; G172-S174 PolarHBondContact O-N 3.21Å; G172-V175 PolarHBondContact O-N 3.34Å; G172-V176 WeakPolarHBondContact O-CG2 3.39Å; G172-V176 PolarHBondContact O-N 2.84Å |
| 173 | E | 92.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 29.4 Ų | 29.4 | 13% | 0.131 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | 175.5 | -172.5 | 179.1 | 149.3 | 0 | 0 | 111.5 | L90 R91 V169 F171 V175 V176 E177 I194 F362 | L90-E173 HydrophobicContact CD1-CB 4.43Å; R91-E173 IonicContact CZ-OE1 3.04Å; R91-E173 IonicContact CZ-OE2 2.86Å; R91-E173 IonicContact NH1-OE1 3.38Å; R91-E173 PolarHBondContact NH1-OE1 3.37Å; R91-E173 IonicContact NH1-OE2 3.71Å; R91-E173 IonicContact NH2-OE1 3.96Å; R91-E173 PolarHBondContact NH2-OE1 3.43Å; R91-E173 IonicContact NH2-OE2 2.78Å; R91-E173 PolarHBondContact NH2-OE2 2.83Å; V169-E173 PolarHBondContact O-N 3.44Å; F171-E173 PolarHBondContact O-N 3.22Å; E173-V175 PolarHBondContact O-N 3.19Å; E173-V176 PolarHBondContact O-N 2.92Å; E173-E177 WeakPolarHBondContact O-CB 3.25Å; E173-E177 PolarHBondContact O-N 3.08Å; E173-E177 VanDerWaalsContact O-N 3.09Å; E173-I194 HydrophobicContact CB-CD1 4.21Å; E173-I194 HydrophobicContact CG-CD1 4.26Å; E173-F362 VanDerWaalsContact OE1-CD2 3.28Å; E173-F362 WeakPolarHBondContact OE1-CD2 3.33Å |
| 174 | S | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -34.7 | 178.2 | -173 | 0 | 0 | 0 | 0 | 113.1 | G170 F171 G172 V178 | G170-S174 PolarHBondContact O-N 2.94Å; F171-S174 PolarHBondContact O-N 2.81Å; G172-S174 VanDerWaalsContact C-N 3.35Å; G172-S174 PolarHBondContact O-N 3.21Å; S174-V178 VanDerWaalsContact O-CG2 3.32Å; S174-V178 WeakPolarHBondContact O-CG2 3.31Å; S174-V178 PolarHBondContact O-N 2.78Å |
| 175 | V | 93.3 | Very high | 91.1 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 17% | 0.17 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.6 | -45.6 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | F171 G172 E173 E177 V178 M179 I197 F380 | F171-V175 HydrophobicContact CD1-CG2 4.11Å; F171-V175 HydrophobicContact CD2-CG2 4.36Å; F171-V175 HydrophobicContact CE1-CG2 3.67Å; F171-V175 HydrophobicContact CE2-CG2 3.94Å; F171-V175 HydrophobicContact CG-CG2 4.44Å; F171-V175 HydrophobicContact CZ-CG2 3.57Å; F171-V175 WeakPolarHBondContact O-CG2 3.21Å; F171-V175 PolarHBondContact O-N 2.85Å; G172-V175 PolarHBondContact O-N 3.34Å; E173-V175 PolarHBondContact O-N 3.19Å; V175-E177 PolarHBondContact O-N 3.19Å; V175-V178 PolarHBondContact O-N 3.24Å; V175-V178 VanDerWaalsContact O-N 3.16Å; V175-M179 HydrophobicContact CG1-CG 4.38Å; V175-M179 HydrophobicContact CG1-SD 4.11Å; V175-M179 WeakPolarHBondContact O-CG 3.41Å; V175-M179 PolarHBondContact O-N 2.79Å; V175-I197 HydrophobicContact CB-CG2 4.15Å; V175-I197 HydrophobicContact CG1-CD1 4Å; V175-I197 HydrophobicContact CG1-CG2 4.14Å; V175-I197 HydrophobicContact CG2-CG2 4.49Å; V175-F380 HydrophobicContact CG2-CE1 3.78Å; V175-F380 HydrophobicContact CG2-CZ 3.85Å |
| 176 | V | 92.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -40 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | G172 E173 M179 K180 G189 D193 I194 I197 | G172-V176 WeakPolarHBondContact O-CG2 3.39Å; G172-V176 PolarHBondContact O-N 2.84Å; E173-V176 PolarHBondContact O-N 2.92Å; V176-M179 WeakPolarHBondContact O-CB 3.36Å; V176-M179 PolarHBondContact O-N 2.99Å; V176-K180 WeakPolarHBondContact O-CG 3.43Å; V176-K180 PolarHBondContact O-N 2.87Å; V176-G189 VanDerWaalsContact CG1-O 3.3Å; V176-G189 WeakPolarHBondContact CG1-O 3.33Å; V176-D193 HydrophobicContact CG1-CB 4.38Å; V176-D193 HydrophobicContact CG2-CB 3.79Å; V176-I194 HydrophobicContact CB-CG1 4.19Å; V176-I194 HydrophobicContact CG2-CG1 3.8Å; V176-I197 HydrophobicContact CG2-CD1 3.46Å; V176-I197 VanDerWaalsContact CG2-CD1 3.46Å |
| 177 | E | 87.6 | Confident | 90.2 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 178.3 | -168.9 | 59.7 | -156 | 0 | 0 | 112.5 | E173 V175 M179 K180 K181 Q363 | E173-E177 WeakPolarHBondContact O-CB 3.25Å; E173-E177 PolarHBondContact O-N 3.08Å; E173-E177 VanDerWaalsContact O-N 3.09Å; V175-E177 PolarHBondContact O-N 3.19Å; E177-M179 VanDerWaalsContact C-N 3.31Å; E177-K180 PolarHBondContact O-N 3.47Å; E177-K180 IonicContact OE2-NZ 3.01Å; E177-K181 WeakPolarHBondContact O-CG 3.47Å; E177-K181 PolarHBondContact O-N 2.93Å; E177-Q363 HydrophobicContact CG-CG 4.3Å; E177-Q363 VanDerWaalsContact CG-NE2 3.29Å |
| 178 | V | 90 | Very high | 89.8 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 171.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | S174 V175 K181 N182 T376 | S174-V178 VanDerWaalsContact O-CG2 3.32Å; S174-V178 WeakPolarHBondContact O-CG2 3.31Å; S174-V178 PolarHBondContact O-N 2.78Å; V175-V178 PolarHBondContact O-N 3.24Å; V175-V178 VanDerWaalsContact O-N 3.16Å; V178-K181 PolarHBondContact O-N 2.94Å; V178-N182 PolarHBondContact O-N 2.9Å; V178-T376 HydrophobicContact CG2-CG2 3.75Å |
| 179 | M | 91.3 | Very high | 89 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 22% | 0.222 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 175 | -70.3 | 178.7 | 61.6 | 0 | 0 | 111.6 | V175 V176 E177 K181 N182 S183 A184 I186 I197 | V175-M179 HydrophobicContact CG1-CG 4.38Å; V175-M179 HydrophobicContact CG1-SD 4.11Å; V175-M179 WeakPolarHBondContact O-CG 3.41Å; V175-M179 PolarHBondContact O-N 2.79Å; V176-M179 WeakPolarHBondContact O-CB 3.36Å; V176-M179 PolarHBondContact O-N 2.99Å; E177-M179 VanDerWaalsContact C-N 3.31Å; M179-K181 VanDerWaalsContact C-N 3.34Å; M179-K181 PolarHBondContact O-N 3.22Å; M179-N182 CarbonylContact O-C 3.33Å; M179-N182 WeakPolarHBondContact O-CA 3.28Å; M179-N182 PolarHBondContact O-N 2.77Å; M179-S183 PolarHBondContact O-N 2.77Å; M179-S183 VanDerWaalsContact O-N 3.16Å; M179-A184 CarbonylContact C-O 3.43Å; M179-A184 VanDerWaalsContact C-O 3.31Å; M179-A184 HydrophobicContact CB-CB 4.2Å; M179-A184 WeakPolarHBondContact CB-O 3.26Å; M179-A184 HydrophobicContact CE-CB 4.19Å; M179-A184 PolarHBondContact O-N 3.16Å; M179-I186 HydrophobicContact CE-CD1 4Å; M179-I186 HydrophobicContact CE-CG1 3.63Å; M179-I197 HydrophobicContact SD-CD1 3.83Å |
| 180 | K | 87.6 | Confident | 88.5 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 174.1 | -75.5 | -179.2 | -175.8 | 173.2 | 0 | 112.6 | V176 E177 N182 S183 G189 | V176-K180 WeakPolarHBondContact O-CG 3.43Å; V176-K180 PolarHBondContact O-N 2.87Å; E177-K180 PolarHBondContact O-N 3.47Å; E177-K180 IonicContact OE2-NZ 3.01Å; K180-N182 PolarHBondContact O-N 2.76Å; K180-S183 PolarHBondContact O-N 3.02Å; K180-G189 WeakPolarHBondContact CE-O 3.47Å; K180-G189 PolarHBondContact NZ-O 2.74Å |
| 181 | K | 85.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.5 | -32 | 176.1 | -75.3 | 174.4 | 176.6 | 172.3 | 0 | 112.3 | E177 V178 M179 Y361 E366 | E177-K181 WeakPolarHBondContact O-CG 3.47Å; E177-K181 PolarHBondContact O-N 2.93Å; V178-K181 PolarHBondContact O-N 2.94Å; M179-K181 VanDerWaalsContact C-N 3.34Å; M179-K181 PolarHBondContact O-N 3.22Å; K181-Y361 WeakPolarHBondContact CE-OH 3.07Å; K181-Y361 PolarHBondContact NZ-OH 3.22Å; K181-Y361 VanDerWaalsContact NZ-OH 3.1Å; K181-E366 IonicContact NZ-OE1 2.82Å; K181-E366 PolarHBondContact NZ-OE1 2.82Å; K181-E366 IonicContact NZ-OE2 2.69Å; K181-E366 PolarHBondContact NZ-OE2 2.99Å |
| 182 | N | 88.3 | Confident | 88.2 | Confident | 126 Ų | 126 | 61.6 Ų | 61.6 | 67% | 0.674 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 16.6 | 177.7 | -64.8 | -22.1 | 0 | 0 | 0 | 113.5 | V178 M179 K180 A184 | V178-N182 PolarHBondContact O-N 2.9Å; M179-N182 CarbonylContact O-C 3.33Å; M179-N182 WeakPolarHBondContact O-CA 3.28Å; M179-N182 PolarHBondContact O-N 2.77Å; K180-N182 PolarHBondContact O-N 2.76Å; N182-A184 PolarHBondContact O-N 3.2Å |
| 183 | S | 84.5 | Confident | 88.2 | Confident | 117 Ų | 117 | 61.7 Ų | 61.7 | 82% | 0.818 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 30.8 | -179.6 | -52.5 | 0 | 0 | 0 | 0 | 114.8 | M179 K180 | M179-S183 PolarHBondContact O-N 2.77Å; M179-S183 VanDerWaalsContact O-N 3.16Å; K180-S183 PolarHBondContact O-N 3.02Å |
| 184 | A | 87.7 | Confident | 88.2 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | trans | -105.2 | 134.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M179 N182 | M179-A184 CarbonylContact C-O 3.43Å; M179-A184 VanDerWaalsContact C-O 3.31Å; M179-A184 HydrophobicContact CB-CB 4.2Å; M179-A184 WeakPolarHBondContact CB-O 3.26Å; M179-A184 HydrophobicContact CE-CB 4.19Å; M179-A184 PolarHBondContact O-N 3.16Å; N182-A184 PolarHBondContact O-N 3.2Å | ||
| 185 | Q | 85.5 | Confident | 88.4 | Confident | 135 Ų | 135 | 65.4 Ų | 65.4 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | trans | -140.7 | 143 | 176.6 | -64.4 | 177.4 | -21.7 | 0 | 0 | 108.3 | ||||
| 186 | I | 85.1 | Confident | 88.5 | Confident | 86 Ų | 86 | 67 Ų | 67 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -93.5 | -55.9 | 179.7 | -52.6 | 176.1 | 0 | 0 | 0 | 109.6 | M179 D193 I197 | M179-I186 HydrophobicContact CE-CD1 4Å; M179-I186 HydrophobicContact CE-CG1 3.63Å; I186-D193 PolarHBondContact N-OD2 2.88Å; I186-I197 HydrophobicContact CD1-CD1 4.11Å; I186-I197 HydrophobicContact CD1-CG1 4.16Å |
| 187 | L | 86.3 | Confident | 88.6 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 62% | 0.618 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -125.1 | -72.6 | 177.7 | -67.1 | 168.7 | 0 | 0 | 0 | 111.2 | N192 D193 I196 | L187-N192 HydrophobicContact CD1-CB 4.18Å; L187-D193 WeakPolarHBondContact CA-OD1 3.43Å; L187-D193 WeakPolarHBondContact CB-OD1 3.35Å; L187-D193 PolarHBondContact N-OD1 3.39Å; L187-D193 PolarHBondContact N-OD2 3Å; L187-I196 HydrophobicContact CD1-CD1 3.37Å; L187-I196 HydrophobicContact CG-CD1 4.31Å |
| 188 | D | 85.9 | Confident | 88.9 | Confident | 54 Ų | 54 | 65.3 Ų | 65.3 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -113 | -10.4 | -172.5 | 64.5 | -3.6 | 0 | 0 | 0 | 112.8 | Y190 T191 N192 D193 | D188-Y190 PolarHBondContact O-N 3.08Å; D188-Y190 PolarHBondContact OD1-N 3.22Å; D188-T191 PolarHBondContact OD2-N 2.81Å; D188-T191 PolarHBondContact OD2-OG1 3Å; D188-N192 PolarHBondContact OD1-N 2.94Å; D188-N192 WeakPolarHBondContact OD2-CB 3.33Å; D188-N192 PolarHBondContact OD2-N 2.89Å; D188-N192 VanDerWaalsContact OD2-N 3.09Å; D188-N192 PolarHBondContact OD2-ND2 2.7Å; D188-D193 PolarHBondContact N-OD1 3.02Å; D188-D193 PolarHBondContact OD1-N 3.45Å |
| 189 | G | 78.3 | Confident | 89.2 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 66 | 11.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V176 K180 D193 | V176-G189 VanDerWaalsContact CG1-O 3.3Å; V176-G189 WeakPolarHBondContact CG1-O 3.33Å; K180-G189 WeakPolarHBondContact CE-O 3.47Å; K180-G189 PolarHBondContact NZ-O 2.74Å; G189-D193 WeakPolarHBondContact CA-OD2 3.48Å; G189-D193 PolarHBondContact N-OD2 2.85Å |
| 190 | Y | 84.8 | Confident | 89.4 | Confident | 152 Ų | 152 | 69.3 Ų | 69.3 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -136.6 | -114.8 | -176.9 | -81.4 | -91.7 | 0 | 0 | 0 | 110.1 | D188 N192 D193 I194 | D188-Y190 PolarHBondContact O-N 3.08Å; D188-Y190 PolarHBondContact OD1-N 3.22Å; Y190-N192 PolarHBondContact O-N 2.98Å; Y190-D193 PolarHBondContact O-N 2.94Å; Y190-I194 WeakPolarHBondContact O-CG1 3.44Å; Y190-I194 PolarHBondContact O-N 3.1Å |
| 191 | T | 89 | Confident | 89.7 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | -166 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | D188 R195 | D188-T191 PolarHBondContact OD2-N 2.81Å; D188-T191 PolarHBondContact OD2-OG1 3Å; T191-R195 WeakPolarHBondContact O-CD 3.33Å; T191-R195 WeakPolarHBondContact O-CG 3.45Å; T191-R195 PolarHBondContact O-N 3.44Å |
| 192 | N | 92.6 | Very high | 90.2 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 34% | 0.342 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.4 | -37.5 | -178.3 | -63.6 | -51.7 | 0 | 0 | 0 | 111.1 | L187 D188 Y190 I194 R195 I196 | L187-N192 HydrophobicContact CD1-CB 4.18Å; D188-N192 PolarHBondContact OD1-N 2.94Å; D188-N192 WeakPolarHBondContact OD2-CB 3.33Å; D188-N192 PolarHBondContact OD2-N 2.89Å; D188-N192 VanDerWaalsContact OD2-N 3.09Å; D188-N192 PolarHBondContact OD2-ND2 2.7Å; Y190-N192 PolarHBondContact O-N 2.98Å; N192-I194 VanDerWaalsContact C-N 3.35Å; N192-I194 PolarHBondContact O-N 2.82Å; N192-R195 PolarHBondContact O-N 3.11Å; N192-R195 PolarHBondContact OD1-NH1 2.81Å; N192-I196 WeakPolarHBondContact O-CG1 3.39Å; N192-I196 PolarHBondContact O-N 3.27Å |
| 193 | D | 92.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.011 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 173.2 | -71 | 13.7 | 0 | 0 | 0 | 111 | V176 I186 L187 D188 G189 Y190 R195 I196 I197 | V176-D193 HydrophobicContact CG1-CB 4.38Å; V176-D193 HydrophobicContact CG2-CB 3.79Å; I186-D193 PolarHBondContact N-OD2 2.88Å; L187-D193 WeakPolarHBondContact CA-OD1 3.43Å; L187-D193 WeakPolarHBondContact CB-OD1 3.35Å; L187-D193 PolarHBondContact N-OD1 3.39Å; L187-D193 PolarHBondContact N-OD2 3Å; D188-D193 PolarHBondContact N-OD1 3.02Å; D188-D193 PolarHBondContact OD1-N 3.45Å; G189-D193 WeakPolarHBondContact CA-OD2 3.48Å; G189-D193 PolarHBondContact N-OD2 2.85Å; Y190-D193 PolarHBondContact O-N 2.94Å; D193-R195 PolarHBondContact O-N 3.2Å; D193-I196 PolarHBondContact O-N 3.38Å; D193-I197 WeakPolarHBondContact O-CB 3.35Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.34Å |
| 194 | I | 93.2 | Very high | 91 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 174.5 | -68.4 | 168.7 | 0 | 0 | 0 | 110.4 | V169 E173 V176 Y190 N192 I196 S198 | V169-I194 HydrophobicContact CG1-CG2 4.02Å; E173-I194 HydrophobicContact CB-CD1 4.21Å; E173-I194 HydrophobicContact CG-CD1 4.26Å; V176-I194 HydrophobicContact CB-CG1 4.19Å; V176-I194 HydrophobicContact CG2-CG1 3.8Å; Y190-I194 WeakPolarHBondContact O-CG1 3.44Å; Y190-I194 PolarHBondContact O-N 3.1Å; N192-I194 VanDerWaalsContact C-N 3.35Å; N192-I194 PolarHBondContact O-N 2.82Å; I194-I196 PolarHBondContact O-N 2.83Å; I194-S198 WeakPolarHBondContact O-CB 3.26Å; I194-S198 PolarHBondContact O-N 3.06Å; I194-S198 PolarHBondContact O-OG 3.45Å |
| 195 | R | 94.9 | Very high | 91.2 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 179.3 | -73.4 | 164.9 | 179.8 | 160.6 | 2 | 112.1 | T191 N192 D193 S198 L199 A439 I440 | T191-R195 WeakPolarHBondContact O-CD 3.33Å; T191-R195 WeakPolarHBondContact O-CG 3.45Å; T191-R195 PolarHBondContact O-N 3.44Å; N192-R195 PolarHBondContact O-N 3.11Å; N192-R195 PolarHBondContact OD1-NH1 2.81Å; D193-R195 PolarHBondContact O-N 3.2Å; R195-S198 PolarHBondContact O-N 3.44Å; R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 PolarHBondContact O-N 2.61Å; R195-A439 PolarHBondContact NE-O 3.4Å; R195-I440 PolarHBondContact NH2-O 2.93Å |
| 196 | I | 94.7 | Very high | 91.4 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -50.5 | -178.7 | -69.5 | 168.3 | 0 | 0 | 0 | 110.7 | L187 N192 D193 I194 S198 L199 I200 | L187-I196 HydrophobicContact CD1-CD1 3.37Å; L187-I196 HydrophobicContact CG-CD1 4.31Å; N192-I196 WeakPolarHBondContact O-CG1 3.39Å; N192-I196 PolarHBondContact O-N 3.27Å; D193-I196 PolarHBondContact O-N 3.38Å; I194-I196 PolarHBondContact O-N 2.83Å; I196-S198 VanDerWaalsContact C-N 3.28Å; I196-S198 PolarHBondContact O-N 3.14Å; I196-L199 PolarHBondContact O-N 3.43Å; I196-I200 HydrophobicContact CG2-CD1 3.8Å; I196-I200 WeakPolarHBondContact O-CG1 3.46Å; I196-I200 PolarHBondContact O-N 2.89Å |
| 197 | I | 94.9 | Very high | 91.7 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 179.8 | -69.8 | 161.1 | 0 | 0 | 0 | 110.5 | F171 V175 V176 M179 I186 D193 I200 T201 | F171-I197 HydrophobicContact CE1-CG2 4.49Å; V175-I197 HydrophobicContact CB-CG2 4.15Å; V175-I197 HydrophobicContact CG1-CD1 4Å; V175-I197 HydrophobicContact CG1-CG2 4.14Å; V175-I197 HydrophobicContact CG2-CG2 4.49Å; V176-I197 HydrophobicContact CG2-CD1 3.46Å; V176-I197 VanDerWaalsContact CG2-CD1 3.46Å; M179-I197 HydrophobicContact SD-CD1 3.83Å; I186-I197 HydrophobicContact CD1-CD1 4.11Å; I186-I197 HydrophobicContact CD1-CG1 4.16Å; D193-I197 WeakPolarHBondContact O-CB 3.35Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.34Å; I197-I200 PolarHBondContact O-N 2.94Å; I197-T201 WeakPolarHBondContact O-CB 3.26Å; I197-T201 PolarHBondContact O-N 3.16Å; I197-T201 PolarHBondContact O-OG1 3.37Å |
| 198 | S | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | V168 V169 I194 R195 I196 T201 A202 | V168-S198 WeakPolarHBondContact CG1-O 3.34Å; V168-S198 PolarHBondContact O-OG 3.36Å; V169-S198 WeakPolarHBondContact CA-OG 3.34Å; I194-S198 WeakPolarHBondContact O-CB 3.26Å; I194-S198 PolarHBondContact O-N 3.06Å; I194-S198 PolarHBondContact O-OG 3.45Å; R195-S198 PolarHBondContact O-N 3.44Å; I196-S198 VanDerWaalsContact C-N 3.28Å; I196-S198 PolarHBondContact O-N 3.14Å; S198-T201 PolarHBondContact O-N 3.11Å; S198-A202 WeakPolarHBondContact O-CB 3.33Å; S198-A202 PolarHBondContact O-N 3.42Å |
| 199 | L | 95.4 | Very high | 91.7 | Very high | 82 Ų | 82 | 46.6 Ų | 46.6 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -47 | 177.7 | -171.2 | 80.4 | 0 | 0 | 0 | 111.5 | R195 I196 T201 A202 V203 C435 | R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 PolarHBondContact O-N 2.61Å; I196-L199 PolarHBondContact O-N 3.43Å; L199-T201 VanDerWaalsContact C-N 3.31Å; L199-T201 PolarHBondContact O-N 2.69Å; L199-A202 PolarHBondContact O-N 3.26Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 2.84Å; L199-C435 HydrophobicContact CD1-CB 4.48Å |
| 200 | I | 95.7 | Very high | 91.9 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 177.5 | -67 | 167 | 0 | 0 | 0 | 110.1 | I196 I197 A202 V203 I204 | I196-I200 HydrophobicContact CG2-CD1 3.8Å; I196-I200 WeakPolarHBondContact O-CG1 3.46Å; I196-I200 PolarHBondContact O-N 2.89Å; I197-I200 PolarHBondContact O-N 2.94Å; I200-A202 PolarHBondContact O-N 3.29Å; I200-V203 PolarHBondContact O-N 3.49Å; I200-I204 HydrophobicContact CG2-CD1 3.92Å; I200-I204 WeakPolarHBondContact O-CG1 3.45Å; I200-I204 PolarHBondContact O-N 3.04Å |
| 201 | T | 94.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | V168 F171 I197 S198 L199 V203 I204 L205 L384 | V168-T201 HydrophobicContact CG1-CG2 4.11Å; F171-T201 HydrophobicContact CD1-CG2 3.73Å; F171-T201 WeakPolarHBondContact CD1-OG1 3.47Å; F171-T201 HydrophobicContact CE1-CG2 3.92Å; F171-T201 WeakPolarHBondContact CE1-OG1 3.33Å; I197-T201 WeakPolarHBondContact O-CB 3.26Å; I197-T201 PolarHBondContact O-N 3.16Å; I197-T201 PolarHBondContact O-OG1 3.37Å; S198-T201 PolarHBondContact O-N 3.11Å; L199-T201 VanDerWaalsContact C-N 3.31Å; L199-T201 PolarHBondContact O-N 2.69Å; T201-V203 VanDerWaalsContact C-N 3.31Å; T201-V203 PolarHBondContact O-N 2.87Å; T201-I204 PolarHBondContact O-N 3.5Å; T201-L205 HydrophobicContact CG2-CD1 4.19Å; T201-L205 HydrophobicContact CG2-CG 4.39Å; T201-L205 WeakPolarHBondContact O-CG 3.16Å; T201-L205 PolarHBondContact O-N 2.78Å; T201-L384 HydrophobicContact CG2-CD2 3.69Å |
| 202 | A | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V168 S198 L199 I200 L205 L206 F431 I438 | V168-A202 HydrophobicContact CG1-CB 4.39Å; S198-A202 WeakPolarHBondContact O-CB 3.33Å; S198-A202 PolarHBondContact O-N 3.42Å; L199-A202 PolarHBondContact O-N 3.26Å; I200-A202 PolarHBondContact O-N 3.29Å; A202-L205 PolarHBondContact O-N 3.42Å; A202-L206 WeakPolarHBondContact O-CB 3.28Å; A202-L206 PolarHBondContact O-N 3.04Å; A202-F431 HydrophobicContact CB-CD2 4.41Å; A202-F431 HydrophobicContact CB-CE2 3.93Å; A202-I438 HydrophobicContact CB-CD1 3.86Å |
| 203 | V | 95.1 | Very high | 89.6 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 47% | 0.467 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 111 | L199 I200 T201 L206 A207 F431 | L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 2.84Å; I200-V203 PolarHBondContact O-N 3.49Å; T201-V203 VanDerWaalsContact C-N 3.31Å; T201-V203 PolarHBondContact O-N 2.87Å; V203-L206 WeakPolarHBondContact O-CB 3.38Å; V203-L206 PolarHBondContact O-N 3.22Å; V203-A207 PolarHBondContact O-N 3.48Å; V203-F431 HydrophobicContact CG2-CE2 3.93Å; V203-F431 HydrophobicContact CG2-CZ 3.65Å |
| 204 | I | 93.2 | Very high | 88.6 | Confident | 94 Ų | 94 | 49.6 Ų | 49.6 | 48% | 0.482 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 177.1 | -66.3 | 167.3 | 0 | 0 | 0 | 110.4 | I200 T201 L206 A207 I208 | I200-I204 HydrophobicContact CG2-CD1 3.92Å; I200-I204 WeakPolarHBondContact O-CG1 3.45Å; I200-I204 PolarHBondContact O-N 3.04Å; T201-I204 PolarHBondContact O-N 3.5Å; I204-L206 VanDerWaalsContact C-N 3.33Å; I204-L206 PolarHBondContact O-N 2.69Å; I204-A207 WeakPolarHBondContact O-CB 3.48Å; I204-A207 PolarHBondContact O-N 3.03Å; I204-I208 HydrophobicContact CG2-CD1 3.97Å; I204-I208 WeakPolarHBondContact O-CG1 3.31Å; I204-I208 PolarHBondContact O-N 2.96Å |
| 205 | L | 91.9 | Very high | 87.5 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.6 | -69.8 | 176.5 | 0 | 0 | 0 | 111.7 | V168 T201 A202 A207 I208 V209 L384 A387 L388 M391 | V168-L205 HydrophobicContact CG2-CD1 3.69Å; T201-L205 HydrophobicContact CG2-CD1 4.19Å; T201-L205 HydrophobicContact CG2-CG 4.39Å; T201-L205 WeakPolarHBondContact O-CG 3.16Å; T201-L205 PolarHBondContact O-N 2.78Å; A202-L205 PolarHBondContact O-N 3.42Å; L205-A207 VanDerWaalsContact C-N 3.33Å; L205-A207 PolarHBondContact O-N 3.31Å; L205-I208 PolarHBondContact O-N 3.25Å; L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.5Å; L205-V209 PolarHBondContact O-N 3.34Å; L205-L384 HydrophobicContact CD1-CD2 4.41Å; L205-L384 HydrophobicContact CD2-CD2 4.33Å; L205-A387 HydrophobicContact CD1-CB 3.65Å; L205-L388 HydrophobicContact CD2-CD1 4.12Å; L205-M391 HydrophobicContact CB-SD 3.7Å |
| 206 | L | 91.4 | Very high | 86.4 | Confident | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 173.8 | -177.3 | 62.6 | 0 | 0 | 0 | 111.5 | A202 V203 I204 I208 V209 I210 M391 F431 | A202-L206 WeakPolarHBondContact O-CB 3.28Å; A202-L206 PolarHBondContact O-N 3.04Å; V203-L206 WeakPolarHBondContact O-CB 3.38Å; V203-L206 PolarHBondContact O-N 3.22Å; I204-L206 VanDerWaalsContact C-N 3.33Å; I204-L206 PolarHBondContact O-N 2.69Å; L206-I208 PolarHBondContact O-N 3.14Å; L206-V209 PolarHBondContact O-N 3.36Å; L206-I210 HydrophobicContact CD1-CD1 3.95Å; L206-I210 HydrophobicContact CD1-CG1 4.3Å; L206-I210 HydrophobicContact CD2-CD1 4.49Å; L206-I210 HydrophobicContact CG-CD1 3.84Å; L206-I210 VanDerWaalsContact O-CG1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.45Å; L206-M391 HydrophobicContact CB-CE 3.45Å; L206-M391 VanDerWaalsContact CB-CE 3.45Å; L206-M391 HydrophobicContact CD1-CE 3.67Å; L206-M391 HydrophobicContact CG-CE 4.13Å; L206-F431 HydrophobicContact CB-CD2 4.16Å; L206-F431 HydrophobicContact CD1-CB 4.25Å; L206-F431 HydrophobicContact CD2-CB 4.1Å; L206-F431 HydrophobicContact CD2-CD1 4.08Å; L206-F431 HydrophobicContact CD2-CD2 3.91Å; L206-F431 HydrophobicContact CD2-CE2 4.36Å; L206-F431 HydrophobicContact CD2-CG 3.75Å |
| 207 | A | 90.1 | Very high | 85.1 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V203 I204 L205 V209 I210 V211 | V203-A207 PolarHBondContact O-N 3.48Å; I204-A207 WeakPolarHBondContact O-CB 3.48Å; I204-A207 PolarHBondContact O-N 3.03Å; L205-A207 VanDerWaalsContact C-N 3.33Å; L205-A207 PolarHBondContact O-N 3.31Å; A207-V209 VanDerWaalsContact C-N 3.34Å; A207-V209 PolarHBondContact O-N 2.9Å; A207-I210 PolarHBondContact O-N 2.9Å; A207-V211 WeakPolarHBondContact O-CG2 3.4Å; A207-V211 PolarHBondContact O-N 2.95Å; A207-V211 VanDerWaalsContact O-N 3.12Å |
| 208 | I | 87.4 | Confident | 84.2 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 177.2 | -67.3 | 167.2 | 0 | 0 | 0 | 110.7 | I204 L205 L206 I210 V211 G212 F215 L388 | I204-I208 HydrophobicContact CG2-CD1 3.97Å; I204-I208 WeakPolarHBondContact O-CG1 3.31Å; I204-I208 PolarHBondContact O-N 2.96Å; L205-I208 PolarHBondContact O-N 3.25Å; L206-I208 PolarHBondContact O-N 3.14Å; I208-I210 PolarHBondContact O-N 3.04Å; I208-V211 PolarHBondContact O-N 2.92Å; I208-G212 PolarHBondContact O-N 2.93Å; I208-F215 HydrophobicContact CG2-CD1 4.2Å; I208-L388 HydrophobicContact CG2-CD1 4.06Å |
| 209 | V | 85.3 | Confident | 83.4 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | -178 | 173.6 | 0 | 0 | 0 | 0 | 112 | L205 L206 A207 L388 M391 V392 Y427 | L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.5Å; L205-V209 PolarHBondContact O-N 3.34Å; L206-V209 PolarHBondContact O-N 3.36Å; A207-V209 VanDerWaalsContact C-N 3.34Å; A207-V209 PolarHBondContact O-N 2.9Å; V209-L388 HydrophobicContact CG2-CD1 3.44Å; V209-L388 VanDerWaalsContact CG2-CD1 3.44Å; V209-L388 HydrophobicContact CG2-CG 4.46Å; V209-M391 HydrophobicContact CG2-CB 4.42Å; V209-M391 HydrophobicContact CG2-CG 4.2Å; V209-M391 HydrophobicContact CG2-SD 4.32Å; V209-V392 HydrophobicContact CG1-CG2 3.84Å; V209-V392 HydrophobicContact CG2-CG2 3.91Å; V209-Y427 HydrophobicContact CB-CE1 4.46Å; V209-Y427 HydrophobicContact CG1-CD1 3.63Å; V209-Y427 HydrophobicContact CG1-CE1 3.08Å; V209-Y427 HydrophobicContact CG1-CE2 4.29Å; V209-Y427 HydrophobicContact CG1-CG 4.48Å; V209-Y427 VanDerWaalsContact CG1-CZ 3.46Å |
| 210 | I | 82.5 | Confident | 82.5 | Confident | 81 Ų | 81 | 55 Ų | 55 | 42% | 0.415 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 177.3 | -70.7 | 171.4 | 0 | 0 | 0 | 111.9 | L206 A207 I208 | L206-I210 HydrophobicContact CD1-CD1 3.95Å; L206-I210 HydrophobicContact CD1-CG1 4.3Å; L206-I210 HydrophobicContact CD2-CD1 4.49Å; L206-I210 HydrophobicContact CG-CD1 3.84Å; L206-I210 VanDerWaalsContact O-CG1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.27Å; L206-I210 PolarHBondContact O-N 3.45Å; A207-I210 PolarHBondContact O-N 2.9Å; I208-I210 PolarHBondContact O-N 3.04Å |
| 211 | V | 80.5 | Confident | 81.7 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 81% | 0.806 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.6 | -38.5 | -178.9 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | A207 I208 | A207-V211 WeakPolarHBondContact O-CG2 3.4Å; A207-V211 PolarHBondContact O-N 2.95Å; A207-V211 VanDerWaalsContact O-N 3.12Å; I208-V211 PolarHBondContact O-N 2.92Å |
| 212 | G | 69.8 | Low | 81.3 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | trans | 164.2 | 134.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | I208 V214 F215 | I208-G212 PolarHBondContact O-N 2.93Å; G212-V214 PolarHBondContact O-N 2.87Å; G212-F215 PolarHBondContact O-N 3.16Å | ||
| 213 | V | 67.5 | Low | 80.9 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -22.4 | 178.3 | -179.6 | 0 | 0 | 0 | 0 | 113.4 | F215 E216 V392 E422 | V213-F215 PolarHBondContact O-N 2.77Å; V213-E216 WeakPolarHBondContact CG1-OE2 3.33Å; V213-E216 WeakPolarHBondContact O-CB 3.32Å; V213-E216 PolarHBondContact O-N 2.89Å; V213-E216 VanDerWaalsContact O-N 3.13Å; V213-V392 HydrophobicContact CG1-CG1 4.25Å; V213-V392 HydrophobicContact CG2-CG1 4.37Å; V213-E422 WeakPolarHBondContact CG2-OE1 3.42Å |
| 214 | V | 71.6 | Confident | 80.4 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -35.1 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | G212 E216 T217 | G212-V214 PolarHBondContact O-N 2.87Å; V214-E216 VanDerWaalsContact C-N 3.33Å; V214-E216 PolarHBondContact O-N 2.83Å; V214-T217 PolarHBondContact O-N 2.9Å; V214-T217 PolarHBondContact O-OG1 2.8Å |
| 215 | F | 70.1 | Confident | 80.3 | Confident | 134 Ų | 134 | 58.2 Ų | 58.2 | 59% | 0.588 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | 177.6 | -175.6 | -100 | 0 | 0 | 0 | 111.8 | I208 G212 V213 T217 K218 A219 | I208-F215 HydrophobicContact CG2-CD1 4.2Å; G212-F215 PolarHBondContact O-N 3.16Å; V213-F215 PolarHBondContact O-N 2.77Å; F215-T217 VanDerWaalsContact C-N 3.35Å; F215-T217 PolarHBondContact O-N 2.98Å; F215-K218 PolarHBondContact O-N 3.35Å; F215-A219 HydrophobicContact CD1-CB 4.43Å; F215-A219 HydrophobicContact CE1-CB 4.18Å; F215-A219 WeakPolarHBondContact O-CB 3.35Å; F215-A219 PolarHBondContact O-N 2.48Å |
| 216 | E | 72.9 | Confident | 80.3 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -51.8 | -51.6 | 177 | -174.8 | -151.3 | 157.3 | 0 | 0 | 111.3 | R78 V213 V214 K218 A219 Q220 L388 | R78-E216 IonicContact CZ-OE1 2.93Å; R78-E216 IonicContact NH2-OE1 3.74Å; R78-E216 PolarHBondContact NH2-OE1 3.01Å; R78-E216 IonicContact NH2-OE2 3.9Å; V213-E216 WeakPolarHBondContact CG1-OE2 3.33Å; V213-E216 WeakPolarHBondContact O-CB 3.32Å; V213-E216 PolarHBondContact O-N 2.89Å; V213-E216 VanDerWaalsContact O-N 3.13Å; V214-E216 VanDerWaalsContact C-N 3.33Å; V214-E216 PolarHBondContact O-N 2.83Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 2.56Å; E216-A219 PolarHBondContact O-N 2.86Å; E216-Q220 WeakPolarHBondContact O-CG 3.36Å; E216-Q220 PolarHBondContact O-N 2.96Å; E216-Q220 PolarHBondContact OE1-NE2 2.95Å; E216-L388 HydrophobicContact CB-CD2 4.07Å; E216-L388 HydrophobicContact CG-CD2 3.72Å; E216-L388 HydrophobicContact CG-CG 4.06Å |
| 217 | T | 67.2 | Low | 80.3 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -33.6 | -174.9 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | V214 F215 | V214-T217 PolarHBondContact O-N 2.9Å; V214-T217 PolarHBondContact O-OG1 2.8Å; F215-T217 VanDerWaalsContact C-N 3.35Å; F215-T217 PolarHBondContact O-N 2.98Å |
| 218 | K | 75.2 | Confident | 80.3 | Confident | 150 Ų | 150 | 59.4 Ų | 59.4 | 65% | 0.652 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -77.6 | -40.8 | 176.4 | -67 | -175.7 | 179.7 | -178.6 | 0 | 111.4 | F215 E216 Q220 L221 | F215-K218 PolarHBondContact O-N 3.35Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 2.56Å; K218-Q220 VanDerWaalsContact C-N 3.32Å; K218-Q220 PolarHBondContact O-N 3.46Å; K218-L221 PolarHBondContact O-N 3.32Å |
| 219 | A | 78.6 | Confident | 80.6 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F215 E216 L221 I222 L223 | F215-A219 HydrophobicContact CD1-CB 4.43Å; F215-A219 HydrophobicContact CE1-CB 4.18Å; F215-A219 WeakPolarHBondContact O-CB 3.35Å; F215-A219 PolarHBondContact O-N 2.48Å; E216-A219 PolarHBondContact O-N 2.86Å; A219-L221 VanDerWaalsContact C-N 3.26Å; A219-L221 PolarHBondContact O-N 2.84Å; A219-I222 PolarHBondContact O-N 3.25Å; A219-L223 WeakPolarHBondContact O-CG 3.49Å; A219-L223 PolarHBondContact O-N 3.06Å |
| 220 | Q | 77.3 | Confident | 81 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.9 | -36 | 179.7 | -82.5 | 173.8 | -2.1 | 0 | 0 | 113.8 | L81 E216 K218 L223 L224 | L81-Q220 HydrophobicContact CD1-CB 3.72Å; L81-Q220 HydrophobicContact CD1-CG 4.02Å; E216-Q220 WeakPolarHBondContact O-CG 3.36Å; E216-Q220 PolarHBondContact O-N 2.96Å; E216-Q220 PolarHBondContact OE1-NE2 2.95Å; K218-Q220 VanDerWaalsContact C-N 3.32Å; K218-Q220 PolarHBondContact O-N 3.46Å; Q220-L223 PolarHBondContact O-N 3.48Å; Q220-L224 WeakPolarHBondContact O-CB 3.29Å; Q220-L224 PolarHBondContact O-N 3.47Å |
| 221 | L | 79.7 | Confident | 81.5 | Confident | 107 Ų | 107 | 55 Ų | 55 | 56% | 0.56 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.8 | -39.6 | 178 | -173.5 | 67 | 0 | 0 | 0 | 111.9 | K218 A219 L224 A225 | K218-L221 PolarHBondContact O-N 3.32Å; A219-L221 VanDerWaalsContact C-N 3.26Å; A219-L221 PolarHBondContact O-N 2.84Å; L221-L224 PolarHBondContact O-N 3.34Å; L221-A225 PolarHBondContact O-N 3.3Å; L221-A225 VanDerWaalsContact O-N 3.17Å |
| 222 | I | 86.1 | Confident | 82.2 | Confident | 112 Ų | 112 | 53.8 Ų | 53.8 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.8 | -45.3 | 176.7 | -60.6 | 172.8 | 0 | 0 | 0 | 109.7 | A219 L224 A225 I226 | A219-I222 PolarHBondContact O-N 3.25Å; I222-L224 VanDerWaalsContact C-N 3.3Å; I222-L224 PolarHBondContact O-N 3.01Å; I222-A225 WeakPolarHBondContact O-CB 3.39Å; I222-A225 PolarHBondContact O-N 2.87Å; I222-A225 VanDerWaalsContact O-N 3.14Å; I222-I226 HydrophobicContact CG2-CD1 4.28Å; I222-I226 PolarHBondContact O-N 3.35Å; I222-I226 VanDerWaalsContact O-N 3.13Å |
| 223 | L | 86.3 | Confident | 83.4 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 178.1 | -63.8 | 176.9 | 0 | 0 | 0 | 111.8 | A219 Q220 A225 I226 L227 A381 | A219-L223 WeakPolarHBondContact O-CG 3.49Å; A219-L223 PolarHBondContact O-N 3.06Å; Q220-L223 PolarHBondContact O-N 3.48Å; L223-A225 VanDerWaalsContact C-N 3.35Å; L223-I226 PolarHBondContact O-N 3.46Å; L223-L227 VanDerWaalsContact O-CB 3.29Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 2.89Å; L223-A381 HydrophobicContact CB-CB 4.33Å; L223-A381 HydrophobicContact CD2-CB 3.88Å |
| 224 | L | 85.2 | Confident | 84.6 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 173 | -177.6 | 71.6 | 0 | 0 | 0 | 112.1 | I77 I80 L81 Q220 L221 I222 I226 L227 S228 | I77-L224 HydrophobicContact CB-CD2 4.41Å; I77-L224 HydrophobicContact CD1-CD2 4.02Å; I77-L224 HydrophobicContact CG1-CD2 3.96Å; I77-L224 HydrophobicContact CG2-CD2 3.71Å; I80-L224 HydrophobicContact CG2-CD1 4.41Å; L81-L224 HydrophobicContact CD1-CB 4.34Å; L81-L224 HydrophobicContact CD2-CB 3.89Å; L81-L224 HydrophobicContact CD2-CD1 3.73Å; L81-L224 HydrophobicContact CD2-CG 4.44Å; L81-L224 HydrophobicContact CG-CB 4.38Å; L81-L224 HydrophobicContact CG-CD1 3.98Å; Q220-L224 WeakPolarHBondContact O-CB 3.29Å; Q220-L224 PolarHBondContact O-N 3.47Å; L221-L224 PolarHBondContact O-N 3.34Å; I222-L224 VanDerWaalsContact C-N 3.3Å; I222-L224 PolarHBondContact O-N 3.01Å; L224-I226 VanDerWaalsContact C-N 3.35Å; L224-L227 PolarHBondContact O-N 2.97Å; L224-S228 WeakPolarHBondContact O-CB 3.44Å; L224-S228 PolarHBondContact O-N 3.42Å; L224-S228 PolarHBondContact O-OG 3.17Å |
| 225 | A | 90 | Very high | 85.6 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 50% | 0.504 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L221 I222 L223 S228 A229 | L221-A225 PolarHBondContact O-N 3.3Å; L221-A225 VanDerWaalsContact O-N 3.17Å; I222-A225 WeakPolarHBondContact O-CB 3.39Å; I222-A225 PolarHBondContact O-N 2.87Å; I222-A225 VanDerWaalsContact O-N 3.14Å; L223-A225 VanDerWaalsContact C-N 3.35Å; A225-S228 PolarHBondContact O-N 3.49Å; A225-A229 VanDerWaalsContact O-CB 3.32Å; A225-A229 WeakPolarHBondContact O-CB 3.25Å; A225-A229 PolarHBondContact O-N 2.83Å |
| 226 | I | 92.3 | Very high | 86.8 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 30% | 0.297 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.7 | -63.1 | 169.4 | 0 | 0 | 0 | 110.8 | I222 L223 L224 A229 S230 A377 A381 | I222-I226 HydrophobicContact CG2-CD1 4.28Å; I222-I226 PolarHBondContact O-N 3.35Å; I222-I226 VanDerWaalsContact O-N 3.13Å; L223-I226 PolarHBondContact O-N 3.46Å; L224-I226 VanDerWaalsContact C-N 3.35Å; I226-A229 PolarHBondContact O-N 3.4Å; I226-S230 VanDerWaalsContact O-CB 3.31Å; I226-S230 WeakPolarHBondContact O-CB 3.43Å; I226-S230 PolarHBondContact O-N 2.95Å; I226-A377 HydrophobicContact CG2-CB 4.2Å; I226-A381 HydrophobicContact CB-CB 4.23Å; I226-A381 HydrophobicContact CG2-CB 3.98Å |
| 227 | L | 90.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 178.4 | -177.8 | 64.8 | 0 | 0 | 0 | 112 | L81 F84 Y89 L223 L224 S230 I231 A382 | L81-L227 HydrophobicContact CD2-CD2 4.02Å; F84-L227 HydrophobicContact CB-CD2 3.78Å; F84-L227 HydrophobicContact CD2-CD2 3.8Å; F84-L227 HydrophobicContact CG-CD2 4.25Å; Y89-L227 HydrophobicContact CE2-CD1 3.84Å; Y89-L227 WeakPolarHBondContact OH-CD1 3.48Å; L223-L227 VanDerWaalsContact O-CB 3.29Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 2.89Å; L224-L227 PolarHBondContact O-N 2.97Å; L227-S230 WeakPolarHBondContact O-CB 3.29Å; L227-S230 PolarHBondContact O-N 3.09Å; L227-I231 HydrophobicContact CD1-CD1 4.44Å; L227-I231 HydrophobicContact CG-CD1 4.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.27Å; L227-I231 PolarHBondContact O-N 3.29Å; L227-A382 HydrophobicContact CD1-CB 3.96Å |
| 228 | S | 90.8 | Very high | 88.8 | Confident | 53 Ų | 53 | 45.2 Ų | 45.2 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 179.4 | -55 | 0 | 0 | 0 | 0 | 111 | L224 A225 S230 I231 L232 | L224-S228 WeakPolarHBondContact O-CB 3.44Å; L224-S228 PolarHBondContact O-N 3.42Å; L224-S228 PolarHBondContact O-OG 3.17Å; A225-S228 PolarHBondContact O-N 3.49Å; S228-S230 VanDerWaalsContact C-N 3.31Å; S228-S230 PolarHBondContact O-N 3.28Å; S228-I231 PolarHBondContact O-N 2.99Å; S228-L232 WeakPolarHBondContact O-CG 3.39Å; S228-L232 PolarHBondContact O-N 3.23Å |
| 229 | A | 93.8 | Very high | 89.6 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A225 I226 L232 N233 L374 | A225-A229 VanDerWaalsContact O-CB 3.32Å; A225-A229 WeakPolarHBondContact O-CB 3.25Å; A225-A229 PolarHBondContact O-N 2.83Å; I226-A229 PolarHBondContact O-N 3.4Å; A229-L232 PolarHBondContact O-N 2.81Å; A229-N233 WeakPolarHBondContact O-CB 3.5Å; A229-N233 PolarHBondContact O-N 2.87Å; A229-L374 HydrophobicContact CB-CD1 4.49Å; A229-L374 HydrophobicContact CB-CD2 4.42Å |
| 230 | S | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | Y89 I226 L227 S228 N233 F234 V375 | Y89-S230 WeakPolarHBondContact CE1-OG 3.32Å; Y89-S230 WeakPolarHBondContact OH-CB 3.36Å; Y89-S230 PolarHBondContact OH-OG 3.38Å; I226-S230 VanDerWaalsContact O-CB 3.31Å; I226-S230 WeakPolarHBondContact O-CB 3.43Å; I226-S230 PolarHBondContact O-N 2.95Å; L227-S230 WeakPolarHBondContact O-CB 3.29Å; L227-S230 PolarHBondContact O-N 3.09Å; S228-S230 VanDerWaalsContact C-N 3.31Å; S228-S230 PolarHBondContact O-N 3.28Å; S230-N233 PolarHBondContact O-N 2.75Å; S230-F234 PolarHBondContact O-N 3.42Å; S230-V375 WeakPolarHBondContact OG-CA 3.35Å |
| 231 | I | 92.5 | Very high | 90.3 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177 | -65.8 | 169.5 | 0 | 0 | 0 | 110.8 | F84 L88 L227 S228 F234 F235 I317 | F84-I231 HydrophobicContact CD2-CD1 4.18Å; F84-I231 HydrophobicContact CE2-CD1 3.9Å; F84-I231 HydrophobicContact CZ-CD1 4.18Å; L88-I231 HydrophobicContact CD2-CD1 4.19Å; L88-I231 HydrophobicContact CD2-CG1 4.38Å; L227-I231 HydrophobicContact CD1-CD1 4.44Å; L227-I231 HydrophobicContact CG-CD1 4.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.27Å; L227-I231 PolarHBondContact O-N 3.29Å; S228-I231 PolarHBondContact O-N 2.99Å; I231-F234 WeakPolarHBondContact O-CB 3.34Å; I231-F234 PolarHBondContact O-N 3.04Å; I231-F235 HydrophobicContact CG2-CD2 3.82Å; I231-F235 HydrophobicContact CG2-CE2 3.61Å; I231-F235 VanDerWaalsContact O-CD2 3.25Å; I231-F235 WeakPolarHBondContact O-CD2 3.45Å; I231-F235 PolarHBondContact O-N 2.66Å; I231-F235 VanDerWaalsContact O-N 3.09Å; I231-I317 HydrophobicContact CG2-CG2 4.26Å |
| 232 | L | 93.7 | Very high | 90.5 | Very high | 109 Ų | 109 | 48.6 Ų | 48.6 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 175.2 | -71.2 | 172.2 | 0 | 0 | 0 | 111.8 | S228 A229 F234 F235 I236 | S228-L232 WeakPolarHBondContact O-CG 3.39Å; S228-L232 PolarHBondContact O-N 3.23Å; A229-L232 PolarHBondContact O-N 2.81Å; L232-F234 VanDerWaalsContact C-N 3.29Å; L232-F234 PolarHBondContact O-N 3.43Å; L232-F235 PolarHBondContact O-N 3.05Å; L232-I236 WeakPolarHBondContact O-CB 3.41Å; L232-I236 VanDerWaalsContact O-CG1 3.26Å; L232-I236 WeakPolarHBondContact O-CG1 3.31Å; L232-I236 PolarHBondContact O-N 3.08Å |
| 233 | N | 95 | Very high | 90.5 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 176.6 | 175.3 | 64.1 | 0 | 0 | 0 | 112.7 | A229 S230 G237 L370 F371 L374 | A229-N233 WeakPolarHBondContact O-CB 3.5Å; A229-N233 PolarHBondContact O-N 2.87Å; S230-N233 PolarHBondContact O-N 2.75Å; N233-G237 PolarHBondContact O-N 3.23Å; N233-L370 PolarHBondContact O-N 3.24Å; N233-L370 WeakPolarHBondContact OD1-CB 3.24Å; N233-F371 PolarHBondContact ND2-O 2.86Å; N233-F371 PolarHBondContact OD1-N 3.48Å; N233-L374 HydrophobicContact CB-CD2 3.7Å; N233-L374 HydrophobicContact CB-CG 4.39Å |
| 234 | F | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -56 | 170.6 | 165.4 | -99.7 | 0 | 0 | 0 | 111.2 | S230 I231 L232 I236 G237 T238 C321 A324 M365 Q368 | S230-F234 PolarHBondContact O-N 3.42Å; I231-F234 WeakPolarHBondContact O-CB 3.34Å; I231-F234 PolarHBondContact O-N 3.04Å; L232-F234 VanDerWaalsContact C-N 3.29Å; L232-F234 PolarHBondContact O-N 3.43Å; F234-I236 PolarHBondContact O-N 3.38Å; F234-G237 WeakPolarHBondContact O-CA 3Å; F234-G237 PolarHBondContact O-N 3.44Å; F234-G237 VanDerWaalsContact O-N 3.11Å; F234-T238 HydrophobicContact CE2-CG2 4.38Å; F234-T238 HydrophobicContact CZ-CG2 4.28Å; F234-T238 PolarHBondContact O-N 2.97Å; F234-T238 VanDerWaalsContact O-N 3.15Å; F234-C321 HydrophobicContact CE1-CB 4.27Å; F234-A324 HydrophobicContact CE1-CB 4.37Å; F234-A324 HydrophobicContact CZ-CB 4.31Å; F234-M365 HydrophobicContact CD1-CE 3.84Å; F234-M365 HydrophobicContact CD2-CB 4.05Å; F234-M365 HydrophobicContact CD2-CE 3.67Å; F234-M365 HydrophobicContact CD2-CG 4.21Å; F234-M365 HydrophobicContact CE1-CE 3.89Å; F234-M365 HydrophobicContact CE2-CB 4.07Å; F234-M365 HydrophobicContact CE2-CE 3.69Å; F234-M365 HydrophobicContact CE2-CG 3.8Å; F234-M365 HydrophobicContact CG-CE 3.74Å; F234-M365 HydrophobicContact CZ-CE 3.82Å; F234-M365 HydrophobicContact CZ-CG 4.45Å; F234-Q368 HydrophobicContact CD2-CB 4.08Å; F234-Q368 HydrophobicContact CE2-CB 3.83Å; F234-Q368 HydrophobicContact CE2-CG 4.4Å; F234-Q368 VanDerWaalsContact CZ-OE1 3.26Å |
| 235 | F | 93.5 | Very high | 90.6 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | -178.5 | -77.3 | -63.2 | 0 | 0 | 0 | 113.5 | I231 L232 G237 T238 F239 L320 A324 | I231-F235 HydrophobicContact CG2-CD2 3.82Å; I231-F235 HydrophobicContact CG2-CE2 3.61Å; I231-F235 VanDerWaalsContact O-CD2 3.25Å; I231-F235 WeakPolarHBondContact O-CD2 3.45Å; I231-F235 PolarHBondContact O-N 2.66Å; I231-F235 VanDerWaalsContact O-N 3.09Å; L232-F235 PolarHBondContact O-N 3.05Å; F235-G237 VanDerWaalsContact C-N 3.3Å; F235-T238 PolarHBondContact O-N 3.3Å; F235-T238 PolarHBondContact O-OG1 3.44Å; F235-F239 WeakPolarHBondContact O-CD2 3.28Å; F235-L320 HydrophobicContact CE1-CB 3.88Å; F235-L320 HydrophobicContact CZ-CB 3.66Å; F235-A324 HydrophobicContact CE1-CB 4.41Å |
| 236 | I | 93.5 | Very high | 90.5 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 174.6 | -66.7 | 165.5 | 0 | 0 | 0 | 109.6 | L232 F234 T238 F239 L370 | L232-I236 WeakPolarHBondContact O-CB 3.41Å; L232-I236 VanDerWaalsContact O-CG1 3.26Å; L232-I236 WeakPolarHBondContact O-CG1 3.31Å; L232-I236 PolarHBondContact O-N 3.08Å; F234-I236 PolarHBondContact O-N 3.38Å; I236-T238 VanDerWaalsContact C-N 3.28Å; I236-T238 PolarHBondContact O-N 3.46Å; I236-F239 PolarHBondContact O-N 3.28Å; I236-L370 HydrophobicContact CG2-CD2 4.01Å |
| 237 | G | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -35.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N233 F234 F235 F239 V240 K242 Q368 | N233-G237 PolarHBondContact O-N 3.23Å; F234-G237 WeakPolarHBondContact O-CA 3Å; F234-G237 PolarHBondContact O-N 3.44Å; F234-G237 VanDerWaalsContact O-N 3.11Å; F235-G237 VanDerWaalsContact C-N 3.3Å; G237-F239 PolarHBondContact O-N 3.23Å; G237-V240 PolarHBondContact O-N 3.2Å; G237-K242 WeakPolarHBondContact O-CE 3.06Å; G237-K242 PolarHBondContact O-NZ 3.05Å; G237-Q368 CarbonylContact C-O 3.6Å; G237-Q368 WeakPolarHBondContact CA-O 3.39Å |
| 238 | T | 91.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.9 | -23.7 | -178.6 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | F234 F235 I236 Y254 A324 Q368 | F234-T238 HydrophobicContact CE2-CG2 4.38Å; F234-T238 HydrophobicContact CZ-CG2 4.28Å; F234-T238 PolarHBondContact O-N 2.97Å; F234-T238 VanDerWaalsContact O-N 3.15Å; F235-T238 PolarHBondContact O-N 3.3Å; F235-T238 PolarHBondContact O-OG1 3.44Å; I236-T238 VanDerWaalsContact C-N 3.28Å; I236-T238 PolarHBondContact O-N 3.46Å; T238-Y254 WeakPolarHBondContact O-CD2 3.43Å; T238-Y254 VanDerWaalsContact O-CE2 3.3Å; T238-Y254 WeakPolarHBondContact O-CE2 3.39Å; T238-Y254 PolarHBondContact OG1-OH 3.23Å; T238-A324 HydrophobicContact CG2-CB 4.36Å; T238-Q368 HydrophobicContact CG2-CB 4.29Å |
| 239 | F | 91.2 | Very high | 90 | Very high | 148 Ų | 148 | 53.6 Ų | 53.6 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -86.9 | -15.5 | 178.3 | -68.2 | -75.5 | 0 | 0 | 0 | 114.2 | F235 I236 G237 Y254 | F235-F239 WeakPolarHBondContact O-CD2 3.28Å; I236-F239 PolarHBondContact O-N 3.28Å; G237-F239 PolarHBondContact O-N 3.23Å; F239-Y254 HydrophobicContact CD1-CD2 4.1Å; F239-Y254 AromaticContact CD1-CE2 3.7Å; F239-Y254 HydrophobicContact CD1-CE2 3.7Å; F239-Y254 HydrophobicContact CE1-CD2 4.24Å; F239-Y254 AromaticContact CE1-CE2 3.68Å; F239-Y254 HydrophobicContact CE1-CE2 3.68Å; F239-Y254 HydrophobicContact CE2-CE2 4.48Å; F239-Y254 HydrophobicContact CG-CE2 4.13Å; F239-Y254 HydrophobicContact CZ-CE2 4.09Å |
| 240 | V | 88.8 | Confident | 89.7 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -80.9 | 135.5 | -175.6 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | G237 K242 L370 | G237-V240 PolarHBondContact O-N 3.2Å; V240-K242 VanDerWaalsContact O-CD 3.28Å; V240-K242 WeakPolarHBondContact O-CD 3.32Å; V240-K242 WeakPolarHBondContact O-CE 3.3Å; V240-L370 HydrophobicContact CG2-CD1 4.26Å |
| 241 | P | 82 | Confident | 89.5 | Confident | 126 Ų | 126 | 51.8 Ų | 51.8 | 82% | 0.818 | 27% | 0.268 | S | S | * | . | trans | -55.2 | 139.9 | 174.9 | -25 | 33.8 | 0 | 0 | 0 | 112.5 | ||||
| 242 | K | 84.1 | Confident | 89.1 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | trans | -104.6 | 141.1 | -170.3 | -55.4 | -60.4 | -175.8 | 170.7 | 0 | 111.7 | G237 V240 L246 K247 L251 Q368 | G237-K242 WeakPolarHBondContact O-CE 3.06Å; G237-K242 PolarHBondContact O-NZ 3.05Å; V240-K242 VanDerWaalsContact O-CD 3.28Å; V240-K242 WeakPolarHBondContact O-CD 3.32Å; V240-K242 WeakPolarHBondContact O-CE 3.3Å; K242-L246 HydrophobicContact CB-CB 4.21Å; K242-L246 HydrophobicContact CB-CD1 4.45Å; K242-L246 HydrophobicContact CD-CD1 4.11Å; K242-K247 WeakPolarHBondContact O-CE 3.16Å; K242-L251 HydrophobicContact CD-CD2 3.54Å; K242-L251 HydrophobicContact CD-CG 4.25Å; K242-L251 HydrophobicContact CG-CD2 3.79Å; K242-L251 HydrophobicContact CG-CG 3.96Å; K242-Q368 PolarHBondContact NZ-O 3.04Å | ||
| 243 | S | 86.8 | Confident | 88.7 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 42% | 0.42 | 26% | 0.264 | S | S | . | . | trans | -64.9 | 157.3 | 173.2 | 61.9 | 0 | 0 | 0 | 0 | 111 | E245 L246 K247 | S243-E245 PolarHBondContact O-N 2.97Å; S243-L246 PolarHBondContact O-N 2.88Å; S243-L246 WeakPolarHBondContact OG-CG 3.47Å; S243-K247 PolarHBondContact O-N 3.24Å | ||
| 244 | D | 86 | Confident | 88.5 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 43% | 0.428 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.3 | -28.2 | -178.6 | -64.7 | -27.7 | 0 | 0 | 0 | 112.2 | L246 K247 A248 L337 L340 | D244-L246 PolarHBondContact O-N 2.96Å; D244-K247 PolarHBondContact O-N 3.3Å; D244-K247 IonicContact OD1-NZ 3.11Å; D244-K247 PolarHBondContact OD1-NZ 3.04Å; D244-A248 WeakPolarHBondContact O-CB 3.12Å; D244-A248 PolarHBondContact O-N 3.33Å; D244-L337 HydrophobicContact CB-CD2 4.22Å; D244-L340 HydrophobicContact CB-CD2 3.83Å; D244-L340 WeakPolarHBondContact O-CD2 3.41Å |
| 245 | E | 86.9 | Confident | 88.4 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 170.5 | -64.3 | -178.7 | -179.4 | 0 | 0 | 112.8 | S243 A248 K249 L337 | S243-E245 PolarHBondContact O-N 2.97Å; E245-A248 PolarHBondContact O-N 3.5Å; E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 3.32Å; E245-L337 HydrophobicContact CG-CD2 4.29Å |
| 246 | L | 87.8 | Confident | 88.4 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70 | -36.1 | 177.4 | -69.2 | 174.7 | 0 | 0 | 0 | 111.1 | K242 S243 D244 K249 G250 L251 M367 | K242-L246 HydrophobicContact CB-CB 4.21Å; K242-L246 HydrophobicContact CB-CD1 4.45Å; K242-L246 HydrophobicContact CD-CD1 4.11Å; S243-L246 PolarHBondContact O-N 2.88Å; S243-L246 WeakPolarHBondContact OG-CG 3.47Å; D244-L246 PolarHBondContact O-N 2.96Å; L246-K249 PolarHBondContact O-N 3.1Å; L246-G250 PolarHBondContact O-N 3.3Å; L246-L251 HydrophobicContact CB-CB 4.41Å; L246-L251 HydrophobicContact CB-CD2 4.26Å; L246-L251 HydrophobicContact CD1-CD2 4.44Å; L246-L251 WeakPolarHBondContact O-CB 3.27Å; L246-L251 PolarHBondContact O-N 2.87Å; L246-M367 HydrophobicContact CD2-CG 3.7Å |
| 247 | K | 88 | Confident | 88.3 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 173.1 | -66.2 | 178.1 | -165.5 | 153.8 | 0 | 111.9 | K242 S243 D244 K249 G250 L251 L340 | K242-K247 WeakPolarHBondContact O-CE 3.16Å; S243-K247 PolarHBondContact O-N 3.24Å; D244-K247 PolarHBondContact O-N 3.3Å; D244-K247 IonicContact OD1-NZ 3.11Å; D244-K247 PolarHBondContact OD1-NZ 3.04Å; K247-K249 PolarHBondContact O-N 3.38Å; K247-G250 PolarHBondContact O-N 3.05Å; K247-L251 WeakPolarHBondContact CA-O 3.37Å; K247-L251 WeakPolarHBondContact CG-O 3.49Å; K247-L340 HydrophobicContact CB-CD1 3.89Å; K247-L340 HydrophobicContact CB-CD2 3.89Å |
| 248 | A | 88.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -32 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D244 E245 G250 G335 L337 L340 | D244-A248 WeakPolarHBondContact O-CB 3.12Å; D244-A248 PolarHBondContact O-N 3.33Å; E245-A248 PolarHBondContact O-N 3.5Å; A248-G250 PolarHBondContact O-N 3.27Å; A248-G335 WeakPolarHBondContact O-CA 3.41Å; A248-G335 PolarHBondContact O-N 2.99Å; A248-L337 HydrophobicContact CB-CD2 4.15Å; A248-L340 HydrophobicContact CB-CB 4.29Å; A248-L340 HydrophobicContact CB-CD2 4.32Å |
| 249 | K | 87.8 | Confident | 88.3 | Confident | 68 Ų | 68 | 66.1 Ų | 66.1 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.9 | 172.9 | -65.7 | 179.9 | -178.5 | -179.1 | 0 | 114.4 | E245 L246 K247 A333 Y356 G357 M367 | E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 3.32Å; L246-K249 PolarHBondContact O-N 3.1Å; K247-K249 PolarHBondContact O-N 3.38Å; K249-A333 VanDerWaalsContact C-CB 3.45Å; K249-A333 WeakPolarHBondContact O-CB 3.27Å; K249-Y356 HydrophobicContact CB-CD1 4.2Å; K249-Y356 HydrophobicContact CB-CG 4.14Å; K249-Y356 HydrophobicContact CD-CD1 4.08Å; K249-Y356 HydrophobicContact CD-CE1 3.87Å; K249-Y356 HydrophobicContact CG-CD1 3.98Å; K249-Y356 HydrophobicContact CG-CD2 4.15Å; K249-Y356 HydrophobicContact CG-CE1 4.16Å; K249-Y356 HydrophobicContact CG-CE2 4.34Å; K249-Y356 HydrophobicContact CG-CG 3.96Å; K249-G357 PolarHBondContact O-N 2.86Å; K249-M367 HydrophobicContact CB-CE 3.77Å; K249-M367 HydrophobicContact CB-SD 3.7Å; K249-M367 HydrophobicContact CD-CE 3.95Å; K249-M367 HydrophobicContact CD-SD 4.44Å; K249-M367 HydrophobicContact CG-CE 4.42Å |
| 250 | G | 87.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | 4.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L246 K247 A248 C329 L330 | L246-G250 PolarHBondContact O-N 3.3Å; K247-G250 PolarHBondContact O-N 3.05Å; A248-G250 PolarHBondContact O-N 3.27Å; G250-C329 CarbonylContact O-C 3.28Å; G250-C329 WeakPolarHBondContact O-CA 3.47Å; G250-L330 PolarHBondContact O-N 3.08Å |
| 251 | L | 89.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -93.4 | 98.8 | 180 | -174.1 | 65.6 | 0 | 0 | 0 | 111.4 | K242 L246 K247 C329 M367 Q368 | K242-L251 HydrophobicContact CD-CD2 3.54Å; K242-L251 HydrophobicContact CD-CG 4.25Å; K242-L251 HydrophobicContact CG-CD2 3.79Å; K242-L251 HydrophobicContact CG-CG 3.96Å; L246-L251 HydrophobicContact CB-CB 4.41Å; L246-L251 HydrophobicContact CB-CD2 4.26Å; L246-L251 HydrophobicContact CD1-CD2 4.44Å; L246-L251 WeakPolarHBondContact O-CB 3.27Å; L246-L251 PolarHBondContact O-N 2.87Å; K247-L251 WeakPolarHBondContact CA-O 3.37Å; K247-L251 WeakPolarHBondContact CG-O 3.49Å; L251-C329 VanDerWaalsContact CD1-SG 3.54Å; L251-M367 HydrophobicContact CB-SD 4.41Å; L251-M367 HydrophobicContact CD2-CG 4.46Å; L251-Q368 HydrophobicContact CD1-CG 3.63Å |
| 252 | Q | 84.5 | Confident | 89.1 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | trans | -91.3 | -15.4 | -173.8 | -63.8 | -171.3 | -33.7 | 0 | 0 | 114 | T258 T328 L330 | Q252-T258 PolarHBondContact OE1-OG1 3.36Å; Q252-T328 PolarHBondContact N-O 2.95Å; Q252-L330 HydrophobicContact CG-CD1 4.24Å; Q252-L330 HydrophobicContact CG-CG 4.21Å | ||
| 253 | G | 86.3 | Confident | 89.5 | Confident | 15 Ų | 15 | 62 Ų | 62 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | trans | 83.4 | 177.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S255 T328 | G253-S255 PolarHBondContact O-N 3.28Å; G253-T328 WeakPolarHBondContact O-CA 3.5Å | ||
| 254 | Y | 91.1 | Very high | 89.8 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 38% | 0.376 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -62.2 | 106.2 | -177.1 | -77.9 | -82 | 0 | 0 | 0 | 111.6 | T238 F239 F327 T328 | T238-Y254 WeakPolarHBondContact O-CD2 3.43Å; T238-Y254 VanDerWaalsContact O-CE2 3.3Å; T238-Y254 WeakPolarHBondContact O-CE2 3.39Å; T238-Y254 PolarHBondContact OG1-OH 3.23Å; F239-Y254 HydrophobicContact CD1-CD2 4.1Å; F239-Y254 AromaticContact CD1-CE2 3.7Å; F239-Y254 HydrophobicContact CD1-CE2 3.7Å; F239-Y254 HydrophobicContact CE1-CD2 4.24Å; F239-Y254 AromaticContact CE1-CE2 3.68Å; F239-Y254 HydrophobicContact CE1-CE2 3.68Å; F239-Y254 HydrophobicContact CE2-CE2 4.48Å; F239-Y254 HydrophobicContact CG-CE2 4.13Å; F239-Y254 HydrophobicContact CZ-CE2 4.09Å; Y254-F327 HydrophobicContact CD1-CB 3.47Å; Y254-F327 VanDerWaalsContact CD1-CB 3.47Å; Y254-F327 HydrophobicContact CD1-CD1 4.49Å; Y254-F327 HydrophobicContact CD1-CD2 4.49Å; Y254-F327 AromaticContact CD1-CG 3.94Å; Y254-F327 HydrophobicContact CD1-CG 3.94Å; Y254-F327 HydrophobicContact CE1-CB 3.86Å; Y254-F327 HydrophobicContact CE1-CG 4.35Å; Y254-F327 HydrophobicContact CG-CB 4.47Å; Y254-T328 HydrophobicContact CD1-CG2 4.17Å; Y254-T328 HydrophobicContact CD2-CG2 4.11Å; Y254-T328 HydrophobicContact CE1-CG2 4.16Å; Y254-T328 HydrophobicContact CE2-CG2 4.13Å; Y254-T328 HydrophobicContact CG-CG2 4.12Å |
| 255 | S | 90.8 | Very high | 90 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | trans | -132.9 | 130.5 | 179.9 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | G253 Q257 T258 F259 F327 | G253-S255 PolarHBondContact O-N 3.28Å; S255-Q257 VanDerWaalsContact C-N 3.25Å; S255-Q257 PolarHBondContact O-N 3.38Å; S255-Q257 PolarHBondContact OG-N 3.19Å; S255-T258 VanDerWaalsContact CB-OG1 3.3Å; S255-T258 WeakPolarHBondContact CB-OG1 3.2Å; S255-T258 PolarHBondContact O-N 3.08Å; S255-T258 PolarHBondContact OG-OG1 3.44Å; S255-F259 PolarHBondContact O-N 3.45Å; S255-F259 VanDerWaalsContact O-N 3.1Å; S255-F327 PolarHBondContact N-O 3.21Å; S255-F327 VanDerWaalsContact N-O 3.11Å | ||
| 256 | W | 92.5 | Very high | 90 | Very high | 175 Ų | 175 | 59.7 Ų | 59.7 | 66% | 0.663 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.4 | -34.7 | 176.2 | -170.2 | -102.9 | 0 | 0 | 0 | 111.8 | F259 T260 F327 | W256-F259 HydrophobicContact CE3-CD1 4.45Å; W256-F259 HydrophobicContact CH2-CD1 4.32Å; W256-F259 HydrophobicContact CH2-CE1 4.33Å; W256-F259 HydrophobicContact CZ3-CD1 4.22Å; W256-F259 HydrophobicContact CZ3-CE1 4.48Å; W256-F259 PolarHBondContact O-N 3.34Å; W256-T260 WeakPolarHBondContact O-CG2 3.38Å; W256-T260 PolarHBondContact O-N 3.42Å; W256-T260 PolarHBondContact O-OG1 3.06Å; W256-F327 AromaticContact CE3-CE1 3.81Å; W256-F327 HydrophobicContact CE3-CE1 3.81Å; W256-F327 HydrophobicContact CE3-CZ 4.33Å; W256-F327 HydrophobicContact CZ3-CE1 4.03Å; W256-F327 HydrophobicContact CZ3-CZ 4.07Å |
| 257 | Q | 91.3 | Very high | 89.9 | Confident | 144 Ų | 144 | 61.3 Ų | 61.3 | 67% | 0.673 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 178.6 | -65.2 | 178 | -6.3 | 0 | 0 | 111 | S255 F259 T260 K261 | S255-Q257 VanDerWaalsContact C-N 3.25Å; S255-Q257 PolarHBondContact O-N 3.38Å; S255-Q257 PolarHBondContact OG-N 3.19Å; Q257-F259 VanDerWaalsContact C-N 3.33Å; Q257-F259 PolarHBondContact O-N 3.02Å; Q257-T260 PolarHBondContact O-N 3.19Å; Q257-T260 PolarHBondContact O-OG1 3.39Å; Q257-K261 WeakPolarHBondContact O-CG 3.42Å; Q257-K261 PolarHBondContact O-N 3.04Å; Q257-K261 VanDerWaalsContact O-N 3.09Å |
| 258 | T | 90.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.4 | -47.3 | 0 | 0 | 0 | 0 | 110.7 | Q252 S255 T260 K261 N262 C329 L330 | Q252-T258 PolarHBondContact OE1-OG1 3.36Å; S255-T258 VanDerWaalsContact CB-OG1 3.3Å; S255-T258 WeakPolarHBondContact CB-OG1 3.2Å; S255-T258 PolarHBondContact O-N 3.08Å; S255-T258 PolarHBondContact OG-OG1 3.44Å; T258-T260 PolarHBondContact O-N 2.82Å; T258-K261 PolarHBondContact O-N 3.03Å; T258-N262 WeakPolarHBondContact O-CB 3.26Å; T258-N262 VanDerWaalsContact O-CG 3.26Å; T258-N262 PolarHBondContact O-N 2.82Å; T258-N262 PolarHBondContact O-ND2 2.79Å; T258-C329 WeakPolarHBondContact CG2-O 3.48Å; T258-L330 HydrophobicContact CG2-CD2 4.13Å |
| 259 | F | 93.6 | Very high | 89.2 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 175.5 | -179 | -99.9 | 0 | 0 | 0 | 113 | V101 S255 W256 Q257 K261 N262 L263 L323 G326 F327 | V101-F259 HydrophobicContact CB-CE2 4.48Å; V101-F259 HydrophobicContact CG1-CE2 3.96Å; V101-F259 HydrophobicContact CG1-CZ 4.48Å; V101-F259 HydrophobicContact CG2-CE2 4.4Å; S255-F259 PolarHBondContact O-N 3.45Å; S255-F259 VanDerWaalsContact O-N 3.1Å; W256-F259 HydrophobicContact CE3-CD1 4.45Å; W256-F259 HydrophobicContact CH2-CD1 4.32Å; W256-F259 HydrophobicContact CH2-CE1 4.33Å; W256-F259 HydrophobicContact CZ3-CD1 4.22Å; W256-F259 HydrophobicContact CZ3-CE1 4.48Å; W256-F259 PolarHBondContact O-N 3.34Å; Q257-F259 VanDerWaalsContact C-N 3.33Å; Q257-F259 PolarHBondContact O-N 3.02Å; F259-K261 VanDerWaalsContact C-N 3.31Å; F259-K261 PolarHBondContact O-N 2.91Å; F259-N262 CarbonylContact O-C 3.58Å; F259-N262 PolarHBondContact O-N 3.36Å; F259-N262 VanDerWaalsContact O-N 3.11Å; F259-L263 HydrophobicContact CE1-CD1 4.25Å; F259-L263 HydrophobicContact CZ-CD1 4.14Å; F259-L263 PolarHBondContact O-N 2.93Å; F259-L323 HydrophobicContact CE2-CD2 4.29Å; F259-G326 WeakPolarHBondContact CA-O 3.36Å; F259-F327 HydrophobicContact CB-CD1 3.5Å; F259-F327 HydrophobicContact CB-CE1 3.48Å; F259-F327 VanDerWaalsContact CB-CE1 3.48Å; F259-F327 HydrophobicContact CB-CG 4.17Å; F259-F327 HydrophobicContact CB-CZ 4.15Å; F259-F327 HydrophobicContact CD1-CE1 4.09Å; F259-F327 HydrophobicContact CD1-CZ 4.07Å; F259-F327 AromaticContact CD2-CD1 3.91Å; F259-F327 HydrophobicContact CD2-CD1 3.91Å; F259-F327 AromaticContact CD2-CD2 3.74Å; F259-F327 HydrophobicContact CD2-CD2 3.74Å; F259-F327 AromaticContact CD2-CE1 3.67Å; F259-F327 HydrophobicContact CD2-CE1 3.67Å; F259-F327 AromaticContact CD2-CE2 3.48Å; F259-F327 HydrophobicContact CD2-CE2 3.48Å; F259-F327 VanDerWaalsContact CD2-CE2 3.48Å; F259-F327 AromaticContact CD2-CG 3.92Å; F259-F327 HydrophobicContact CD2-CG 3.92Å; F259-F327 AromaticContact CD2-CZ 3.43Å; F259-F327 HydrophobicContact CD2-CZ 3.43Å; F259-F327 VanDerWaalsContact CD2-CZ 3.43Å; F259-F327 HydrophobicContact CE1-CZ 4.34Å; F259-F327 HydrophobicContact CE2-CD2 4.19Å; F259-F327 HydrophobicContact CE2-CE1 4.41Å; F259-F327 AromaticContact CE2-CE2 3.61Å; F259-F327 HydrophobicContact CE2-CE2 3.61Å; F259-F327 AromaticContact CE2-CZ 3.73Å; F259-F327 HydrophobicContact CE2-CZ 3.73Å; F259-F327 AromaticContact CG-CD1 3.88Å; F259-F327 HydrophobicContact CG-CD1 3.88Å; F259-F327 HydrophobicContact CG-CD2 4.5Å; F259-F327 AromaticContact CG-CE1 3.47Å; F259-F327 HydrophobicContact CG-CE1 3.47Å; F259-F327 VanDerWaalsContact CG-CE1 3.47Å; F259-F327 HydrophobicContact CG-CE2 4.15Å; F259-F327 HydrophobicContact CG-CG 4.35Å; F259-F327 AromaticContact CG-CZ 3.61Å; F259-F327 HydrophobicContact CG-CZ 3.61Å; F259-F327 HydrophobicContact CZ-CE2 4.39Å; F259-F327 HydrophobicContact CZ-CZ 4.19Å |
| 260 | T | 93.4 | Very high | 89.2 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 179.2 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | W256 Q257 T258 N262 L263 | W256-T260 WeakPolarHBondContact O-CG2 3.38Å; W256-T260 PolarHBondContact O-N 3.42Å; W256-T260 PolarHBondContact O-OG1 3.06Å; Q257-T260 PolarHBondContact O-N 3.19Å; Q257-T260 PolarHBondContact O-OG1 3.39Å; T258-T260 PolarHBondContact O-N 2.82Å; T260-N262 VanDerWaalsContact C-N 3.32Å; T260-L263 PolarHBondContact O-N 2.82Å |
| 261 | K | 90.8 | Very high | 89.4 | Confident | 138 Ų | 138 | 73.3 Ų | 73.3 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.8 | -32.5 | 174 | -71.2 | -177.5 | 176.9 | -173.2 | 0 | 112.6 | Q257 T258 F259 | Q257-K261 WeakPolarHBondContact O-CG 3.42Å; Q257-K261 PolarHBondContact O-N 3.04Å; Q257-K261 VanDerWaalsContact O-N 3.09Å; T258-K261 PolarHBondContact O-N 3.03Å; F259-K261 VanDerWaalsContact C-N 3.31Å; F259-K261 PolarHBondContact O-N 2.91Å |
| 262 | N | 93.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -87.7 | -5.2 | -179 | -68.5 | -17.2 | 0 | 0 | 0 | 114.3 | G100 V101 T258 F259 T260 G326 C329 | G100-N262 CarbonylContact C-O 3.11Å; G100-N262 WeakPolarHBondContact CA-O 3.48Å; V101-N262 HydrophobicContact CG2-CB 4.19Å; V101-N262 PolarHBondContact N-O 3.32Å; T258-N262 WeakPolarHBondContact O-CB 3.26Å; T258-N262 VanDerWaalsContact O-CG 3.26Å; T258-N262 PolarHBondContact O-N 2.82Å; T258-N262 PolarHBondContact O-ND2 2.79Å; F259-N262 CarbonylContact O-C 3.58Å; F259-N262 PolarHBondContact O-N 3.36Å; F259-N262 VanDerWaalsContact O-N 3.11Å; T260-N262 VanDerWaalsContact C-N 3.32Å; N262-G326 PolarHBondContact ND2-O 3.17Å; N262-C329 PolarHBondContact ND2-O 3.41Å |
| 263 | L | 93.3 | Very high | 89.8 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -67.5 | -41.3 | -172.5 | -172.5 | 64.8 | 0 | 0 | 0 | 112.7 | A102 F259 T260 | A102-L263 HydrophobicContact CB-CD1 4.15Å; A102-L263 PolarHBondContact N-O 2.86Å; F259-L263 HydrophobicContact CE1-CD1 4.25Å; F259-L263 HydrophobicContact CZ-CD1 4.14Å; F259-L263 PolarHBondContact O-N 2.93Å; T260-L263 PolarHBondContact O-N 2.82Å |
| 264 | M | 92 | Very high | 90 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 62% | 0.616 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -93.8 | 152.1 | -177.2 | -69.9 | -63.6 | 150.4 | 0 | 0 | 112.2 | K331 | M264-K331 PolarHBondContact O-NZ 2.82Š|
| 265 | P | 90.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 70.9 Ų | 70.9 | 31% | 0.312 | 35% | 0.346 | S | S | . | . | trans | -67 | 147.1 | 178.3 | 25.5 | -34.1 | 0 | 0 | 0 | 112.9 | H98 A99 L103 F267 | H98-P265 CarbonylContact O-C 3.47Å; H98-P265 WeakPolarHBondContact O-CA 3.25Å; A99-P265 WeakPolarHBondContact O-CA 3.44Å; A99-P265 WeakPolarHBondContact O-CB 3.4Å; L103-P265 HydrophobicContact CD1-CB 3.9Å; L103-P265 HydrophobicContact CD1-CG 3.68Å; P265-F267 HydrophobicContact CB-CD2 3.85Å; P265-F267 HydrophobicContact CB-CE2 3.41Å; P265-F267 VanDerWaalsContact CB-CE2 3.41Å; P265-F267 HydrophobicContact CB-CZ 3.82Å; P265-F267 HydrophobicContact CG-CE2 3.96Å | ||
| 266 | T | 87.9 | Confident | 90.2 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | trans | -131 | 92.9 | 162.3 | -43 | 0 | 0 | 0 | 0 | 107.5 | H98 H268 K331 | H98-T266 WeakPolarHBondContact CA-O 3.5Å; H98-T266 CarbonylContact O-C 3.57Å; H98-T266 PolarHBondContact O-N 3.17Å; T266-H268 WeakPolarHBondContact CG2-NE2 3.42Å; T266-H268 PolarHBondContact O-N 2.78Å; T266-K331 PolarHBondContact OG1-NZ 2.83Å | ||
| 267 | F | 85.6 | Confident | 90.2 | Very high | 82 Ų | 82 | 61.3 Ų | 61.3 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | trans | -83.9 | 115 | -177.6 | -67.4 | -70 | 0 | 0 | 0 | 110.8 | A99 L103 P265 E270 F272 L275 | A99-F267 HydrophobicContact CB-CE1 4.45Å; L103-F267 HydrophobicContact CD1-CE2 4.36Å; L103-F267 HydrophobicContact CD1-CZ 4.08Å; P265-F267 HydrophobicContact CB-CD2 3.85Å; P265-F267 HydrophobicContact CB-CE2 3.41Å; P265-F267 VanDerWaalsContact CB-CE2 3.41Å; P265-F267 HydrophobicContact CB-CZ 3.82Å; P265-F267 HydrophobicContact CG-CE2 3.96Å; F267-E270 WeakPolarHBondContact CB-O 3.35Å; F267-E270 WeakPolarHBondContact CD1-O 3.46Å; F267-F272 HydrophobicContact CZ-CB 4.38Å; F267-L275 HydrophobicContact CD1-CD1 4.18Å; F267-L275 HydrophobicContact CE1-CD1 3.72Å | ||
| 268 | H | 79.3 | Confident | 90.3 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -107.7 | 117.3 | 165.1 | -59.1 | -107.5 | 0 | 0 | 0 | 108.7 | H98 T266 E270 H352 M359 | H98-H268 PolarHBondContact CE1-O 3.39Å; H98-H268 VanDerWaalsContact CE1-O 3.26Å; H98-H268 PolarHBondContact ND1-O 2.84Å; T266-H268 WeakPolarHBondContact CG2-NE2 3.42Å; T266-H268 PolarHBondContact O-N 2.78Å; H268-E270 PolarHBondContact O-N 2.86Å; H268-H352 AromaticContact CE1-CE1 3.74Å; H268-H352 AromaticContact ND1-CE1 3.8Å; H268-M359 HydrophobicContact CB-CE 3.37Å; H268-M359 WeakPolarHBondContact CD2-CE 3.5Å |
| 269 | E | 82.5 | Confident | 90.5 | Very high | 206 Ų | 206 | 54.7 Ų | 54.7 | 96% | 0.963 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 59.5 | -17.5 | -179.5 | -56.5 | -174 | 169.8 | 0 | 0 | 116.9 | ||
| 270 | E | 87.9 | Confident | 90.5 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | trans | -101 | 158.1 | -177 | -66.2 | -66.1 | 174.4 | 0 | 0 | 113.1 | W94 F267 H268 S274 L275 | W94-E270 HydrophobicContact CH2-CG 3.78Å; W94-E270 HydrophobicContact CZ2-CG 3.91Å; F267-E270 WeakPolarHBondContact CB-O 3.35Å; F267-E270 WeakPolarHBondContact CD1-O 3.46Å; H268-E270 PolarHBondContact O-N 2.86Å; E270-S274 WeakPolarHBondContact OE2-CB 3.45Å; E270-S274 PolarHBondContact OE2-OG 3.44Å; E270-L275 HydrophobicContact CB-CD2 4.04Å; E270-L275 HydrophobicContact CB-CG 4.27Å; E270-L275 HydrophobicContact CG-CD2 4.25Å | ||
| 271 | T | 91.3 | Very high | 90.5 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | trans | -118.8 | 164.3 | 176.3 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | F273 S274 L275 | T271-F273 PolarHBondContact O-N 3.32Å; T271-S274 PolarHBondContact N-OG 3.4Å; T271-S274 PolarHBondContact O-N 3.06Å; T271-S274 PolarHBondContact O-OG 3.37Å; T271-S274 PolarHBondContact OG1-N 2.91Å; T271-S274 PolarHBondContact OG1-OG 2.95Å; T271-L275 WeakPolarHBondContact O-CG 3.49Å; T271-L275 PolarHBondContact O-N 3.13Å | ||
| 272 | F | 91.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.1 | -41.7 | 175.1 | 179 | -93.2 | 0 | 0 | 0 | 112.8 | L103 L106 I107 I110 F267 F276 | L103-F272 HydrophobicContact CB-CD2 4.35Å; L103-F272 HydrophobicContact CB-CE2 4.19Å; L103-F272 HydrophobicContact CD2-CD2 4.4Å; L103-F272 HydrophobicContact CD2-CE2 4.19Å; L106-F272 HydrophobicContact CD2-CE2 4.26Å; L106-F272 HydrophobicContact CD2-CZ 4.15Å; L106-F272 HydrophobicContact CG-CZ 4.31Å; I107-F272 HydrophobicContact CD1-CD2 4.3Å; I107-F272 HydrophobicContact CD1-CE2 4.09Å; I107-F272 HydrophobicContact CG1-CD2 4.21Å; I107-F272 HydrophobicContact CG1-CE2 3.53Å; I107-F272 HydrophobicContact CG1-CZ 3.72Å; I110-F272 HydrophobicContact CD1-CE1 4.23Å; I110-F272 HydrophobicContact CD1-CZ 4Å; F267-F272 HydrophobicContact CZ-CB 4.38Å; F272-F276 WeakPolarHBondContact O-CB 3.45Å; F272-F276 PolarHBondContact O-N 2.93Å |
| 273 | F | 90 | Very high | 90.6 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 35% | 0.346 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -81.6 | -26.2 | -176.7 | -68.6 | -77.3 | 0 | 0 | 0 | 113.8 | T271 F276 A277 V501 | T271-F273 PolarHBondContact O-N 3.32Å; F273-F276 PolarHBondContact O-N 3.39Å; F273-A277 WeakPolarHBondContact O-CB 3.46Å; F273-A277 PolarHBondContact O-N 3.02Å; F273-V501 HydrophobicContact CB-CG1 4.31Å; F273-V501 HydrophobicContact CD1-CB 4.18Å; F273-V501 HydrophobicContact CD1-CG1 3.56Å; F273-V501 HydrophobicContact CD2-CG1 3.36Å; F273-V501 HydrophobicContact CE1-CB 4.16Å; F273-V501 HydrophobicContact CE1-CG1 3.56Å; F273-V501 HydrophobicContact CE2-CG1 3.36Å; F273-V501 HydrophobicContact CG-CB 4.45Å; F273-V501 HydrophobicContact CG-CG1 3.47Å; F273-V501 VanDerWaalsContact CG-CG1 3.47Å; F273-V501 HydrophobicContact CZ-CB 4.41Å; F273-V501 HydrophobicContact CZ-CG1 3.47Å; F273-V501 VanDerWaalsContact CZ-CG1 3.47Å |
| 274 | S | 90.1 | Very high | 90.6 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.3 | -43.1 | 170.1 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | E270 T271 F276 A277 V278 | E270-S274 WeakPolarHBondContact OE2-CB 3.45Å; E270-S274 PolarHBondContact OE2-OG 3.44Å; T271-S274 PolarHBondContact N-OG 3.4Å; T271-S274 PolarHBondContact O-N 3.06Å; T271-S274 PolarHBondContact O-OG 3.37Å; T271-S274 PolarHBondContact OG1-N 2.91Å; T271-S274 PolarHBondContact OG1-OG 2.95Å; S274-F276 VanDerWaalsContact C-N 3.33Å; S274-F276 PolarHBondContact O-N 2.92Å; S274-A277 WeakPolarHBondContact O-CB 3.38Å; S274-A277 PolarHBondContact O-N 3.23Å; S274-A277 VanDerWaalsContact O-N 3.09Å; S274-V278 WeakPolarHBondContact O-CG2 3.46Å; S274-V278 PolarHBondContact O-N 2.71Å |
| 275 | L | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 172.2 | -63.4 | -179.7 | 0 | 0 | 0 | 112.3 | W94 H98 A99 I107 F267 E270 T271 A277 V278 Y279 | W94-L275 HydrophobicContact CE3-CD2 4.16Å; W94-L275 HydrophobicContact CH2-CD2 3.57Å; W94-L275 HydrophobicContact CZ2-CD2 4.41Å; W94-L275 HydrophobicContact CZ3-CD2 3.41Å; W94-L275 VanDerWaalsContact CZ3-CD2 3.41Å; H98-L275 HydrophobicContact CB-CD1 3.67Å; H98-L275 HydrophobicContact CB-CD2 4.27Å; A99-L275 HydrophobicContact CB-CD1 3.8Å; I107-L275 HydrophobicContact CD1-CB 4.07Å; F267-L275 HydrophobicContact CD1-CD1 4.18Å; F267-L275 HydrophobicContact CE1-CD1 3.72Å; E270-L275 HydrophobicContact CB-CD2 4.04Å; E270-L275 HydrophobicContact CB-CG 4.27Å; E270-L275 HydrophobicContact CG-CD2 4.25Å; T271-L275 WeakPolarHBondContact O-CG 3.49Å; T271-L275 PolarHBondContact O-N 3.13Å; L275-A277 VanDerWaalsContact C-N 3.31Å; L275-A277 PolarHBondContact O-N 2.78Å; L275-V278 PolarHBondContact O-N 3.06Å; L275-Y279 WeakPolarHBondContact O-CB 3.44Å; L275-Y279 PolarHBondContact O-N 2.63Å |
| 276 | F | 93.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 172.9 | 179.6 | -82.8 | 0 | 0 | 0 | 111.4 | I107 I110 A111 F272 F273 S274 V278 Y279 F280 V498 | I107-F276 HydrophobicContact CG2-CD2 4.01Å; I110-F276 HydrophobicContact CB-CE2 3.98Å; I110-F276 HydrophobicContact CG2-CD2 4.4Å; I110-F276 HydrophobicContact CG2-CE2 3.6Å; I110-F276 HydrophobicContact CG2-CZ 4.16Å; A111-F276 HydrophobicContact CB-CE2 3.94Å; A111-F276 HydrophobicContact CB-CZ 4.25Å; F272-F276 WeakPolarHBondContact O-CB 3.45Å; F272-F276 PolarHBondContact O-N 2.93Å; F273-F276 PolarHBondContact O-N 3.39Å; S274-F276 VanDerWaalsContact C-N 3.33Å; S274-F276 PolarHBondContact O-N 2.92Å; F276-V278 VanDerWaalsContact C-N 3.3Å; F276-V278 PolarHBondContact O-N 3.41Å; F276-Y279 PolarHBondContact O-N 3.4Å; F276-F280 HydrophobicContact CD1-CB 4.37Å; F276-F280 HydrophobicContact CE1-CB 3.9Å; F276-F280 AromaticContact CE1-CD2 3.77Å; F276-F280 HydrophobicContact CE1-CD2 3.77Å; F276-F280 HydrophobicContact CE1-CG 4.05Å; F276-F280 HydrophobicContact CZ-CB 4.34Å; F276-F280 AromaticContact CZ-CD2 3.59Å; F276-F280 HydrophobicContact CZ-CD2 3.59Å; F276-F280 HydrophobicContact CZ-CE2 4.33Å; F276-F280 HydrophobicContact CZ-CG 4.31Å; F276-F280 WeakPolarHBondContact O-CB 3.22Å; F276-F280 PolarHBondContact O-N 3.24Å; F276-V498 HydrophobicContact CD1-CG1 3.75Å; F276-V498 HydrophobicContact CE1-CG1 3.14Å; F276-V498 HydrophobicContact CZ-CG1 3.71Å |
| 277 | A | 92.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -32.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F273 S274 L275 P281 P448 S451 S502 | F273-A277 WeakPolarHBondContact O-CB 3.46Å; F273-A277 PolarHBondContact O-N 3.02Å; S274-A277 WeakPolarHBondContact O-CB 3.38Å; S274-A277 PolarHBondContact O-N 3.23Å; S274-A277 VanDerWaalsContact O-N 3.09Å; L275-A277 VanDerWaalsContact C-N 3.31Å; L275-A277 PolarHBondContact O-N 2.78Å; A277-P281 WeakPolarHBondContact O-CD 3.5Å; A277-P448 HydrophobicContact CB-CB 4.04Å; A277-P448 HydrophobicContact CB-CG 4.09Å; A277-S451 PolarHBondContact O-OG 3.48Å; A277-S502 VanDerWaalsContact CB-OG 3.27Å; A277-S502 WeakPolarHBondContact CB-OG 3.42Å |
| 278 | V | 93.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.9 | -36.7 | 172.4 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | I87 R91 W94 S274 L275 F276 P281 | I87-V278 VanDerWaalsContact CD1-O 3.28Å; I87-V278 WeakPolarHBondContact CD1-O 3.24Å; R91-V278 HydrophobicContact CG-CG1 4.43Å; W94-V278 HydrophobicContact CZ3-CG1 4.34Å; S274-V278 WeakPolarHBondContact O-CG2 3.46Å; S274-V278 PolarHBondContact O-N 2.71Å; L275-V278 PolarHBondContact O-N 3.06Å; F276-V278 VanDerWaalsContact C-N 3.3Å; F276-V278 PolarHBondContact O-N 3.41Å; V278-P281 WeakPolarHBondContact O-CD 3.44Å |
| 279 | Y | 94.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.8 | -42.1 | 178.5 | 178 | -97.6 | 0 | 0 | 0 | 113.2 | I87 L92 I95 I107 V108 A111 L275 F276 P281 A282 Y318 | I87-Y279 HydrophobicContact CG2-CD2 4.49Å; L92-Y279 HydrophobicContact CD1-CD2 4.32Å; L92-Y279 HydrophobicContact CD1-CE2 3.97Å; I95-Y279 HydrophobicContact CD1-CD2 4.01Å; I95-Y279 HydrophobicContact CD1-CG 4.42Å; I107-Y279 HydrophobicContact CG2-CD1 3.56Å; I107-Y279 HydrophobicContact CG2-CD2 4.47Å; I107-Y279 HydrophobicContact CG2-CE1 4.35Å; I107-Y279 HydrophobicContact CG2-CG 3.64Å; V108-Y279 HydrophobicContact CG2-CE1 4.33Å; V108-Y279 HydrophobicContact CG2-CE2 3.99Å; A111-Y279 HydrophobicContact CB-CD1 3.93Å; A111-Y279 HydrophobicContact CB-CE1 3.61Å; L275-Y279 WeakPolarHBondContact O-CB 3.44Å; L275-Y279 PolarHBondContact O-N 2.63Å; F276-Y279 PolarHBondContact O-N 3.4Å; Y279-P281 VanDerWaalsContact C-N 3.32Å; Y279-P281 WeakPolarHBondContact O-CD 3.39Å; Y279-P281 VanDerWaalsContact O-N 3.08Å; Y279-A282 HydrophobicContact CD2-CB 4.43Å; Y279-A282 HydrophobicContact CE2-CB 4.22Å; Y279-A282 WeakPolarHBondContact O-CA 3.23Å; Y279-A282 WeakPolarHBondContact O-CB 3.48Å; Y279-A282 PolarHBondContact O-N 2.99Å; Y279-Y318 HydrophobicContact CE2-CD1 4.17Å; Y279-Y318 HydrophobicContact CE2-CE1 4.48Å |
| 280 | F | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -53.7 | -33.8 | -166.4 | -176.5 | -96.9 | 0 | 0 | 0 | 115.6 | A111 V114 F276 A282 A283 T284 F454 L455 Y458 | A111-F280 HydrophobicContact CB-CD2 4.16Å; V114-F280 HydrophobicContact CB-CE2 4.35Å; V114-F280 HydrophobicContact CG1-CE2 3.93Å; V114-F280 HydrophobicContact CG1-CZ 4.16Å; F276-F280 HydrophobicContact CD1-CB 4.37Å; F276-F280 HydrophobicContact CE1-CB 3.9Å; F276-F280 AromaticContact CE1-CD2 3.77Å; F276-F280 HydrophobicContact CE1-CD2 3.77Å; F276-F280 HydrophobicContact CE1-CG 4.05Å; F276-F280 HydrophobicContact CZ-CB 4.34Å; F276-F280 AromaticContact CZ-CD2 3.59Å; F276-F280 HydrophobicContact CZ-CD2 3.59Å; F276-F280 HydrophobicContact CZ-CE2 4.33Å; F276-F280 HydrophobicContact CZ-CG 4.31Å; F276-F280 WeakPolarHBondContact O-CB 3.22Å; F276-F280 PolarHBondContact O-N 3.24Å; F280-A282 PolarHBondContact O-N 3.45Å; F280-A282 VanDerWaalsContact O-N 3.13Å; F280-A283 PolarHBondContact O-N 3.34Å; F280-T284 HydrophobicContact CD1-CG2 4.07Å; F280-T284 HydrophobicContact CE1-CG2 3.84Å; F280-T284 PolarHBondContact O-N 3.45Å; F280-F454 HydrophobicContact CE1-CB 4Å; F280-L455 HydrophobicContact CD1-CG 4.14Å; F280-L455 HydrophobicContact CD2-CD2 4.37Å; F280-L455 HydrophobicContact CE1-CD1 4.49Å; F280-L455 HydrophobicContact CE1-CD2 3.81Å; F280-L455 HydrophobicContact CE1-CG 3.61Å; F280-L455 HydrophobicContact CE2-CD2 3.66Å; F280-L455 HydrophobicContact CE2-CG 4.32Å; F280-L455 HydrophobicContact CZ-CD2 3.33Å; F280-L455 HydrophobicContact CZ-CG 3.71Å; F280-Y458 HydrophobicContact CE1-CE2 4.28Å; F280-Y458 AromaticContact CZ-CD2 3.91Å; F280-Y458 HydrophobicContact CZ-CD2 3.91Å; F280-Y458 AromaticContact CZ-CE2 3.83Å; F280-Y458 HydrophobicContact CZ-CE2 3.83Å |
| 281 | P | 93 | Very high | 91 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -59.8 | -24.4 | 174.6 | -19.6 | 33 | 0 | 0 | 0 | 113 | I87 L166 A277 V278 Y279 A283 T284 A447 I450 S451 | I87-P281 HydrophobicContact CD1-CB 3.62Å; I87-P281 HydrophobicContact CD1-CG 3.98Å; L166-P281 HydrophobicContact CD2-CB 3.67Å; L166-P281 HydrophobicContact CD2-CG 4.29Å; A277-P281 WeakPolarHBondContact O-CD 3.5Å; V278-P281 WeakPolarHBondContact O-CD 3.44Å; Y279-P281 VanDerWaalsContact C-N 3.32Å; Y279-P281 WeakPolarHBondContact O-CD 3.39Å; Y279-P281 VanDerWaalsContact O-N 3.08Å; P281-A283 PolarHBondContact O-N 3.37Å; P281-T284 PolarHBondContact O-N 3.16Å; P281-T284 VanDerWaalsContact O-N 3.15Å; P281-T284 PolarHBondContact O-OG1 3.01Å; P281-A447 HydrophobicContact CG-CB 4.06Å; P281-I450 HydrophobicContact CB-CG2 4.1Å; P281-I450 HydrophobicContact CG-CB 4.41Å; P281-I450 HydrophobicContact CG-CG2 4.15Å; P281-S451 VanDerWaalsContact CD-OG 3.24Å; P281-S451 WeakPolarHBondContact CD-OG 3.28Å; P281-S451 WeakPolarHBondContact CG-OG 3.3Å |
| 282 | A | 93.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 2% | 0.017 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -67.5 | -20.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I83 I87 Y279 F280 Y318 | I83-A282 WeakPolarHBondContact CG2-O 3.25Å; I87-A282 HydrophobicContact CB-CB 3.85Å; I87-A282 HydrophobicContact CD1-CB 4.07Å; I87-A282 HydrophobicContact CG2-CB 3.69Å; Y279-A282 HydrophobicContact CD2-CB 4.43Å; Y279-A282 HydrophobicContact CE2-CB 4.22Å; Y279-A282 WeakPolarHBondContact O-CA 3.23Å; Y279-A282 WeakPolarHBondContact O-CB 3.48Å; Y279-A282 PolarHBondContact O-N 2.99Å; F280-A282 PolarHBondContact O-N 3.45Å; F280-A282 VanDerWaalsContact O-N 3.13Å; A282-Y318 HydrophobicContact CB-CE1 4.2Å |
| 283 | A | 93.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 9.8 Ų | 9.8 | 7% | 0.074 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -96 | -4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A111 T115 F280 P281 | A111-A283 HydrophobicContact CB-CB 3.99Å; T115-A283 HydrophobicContact CG2-CB 3.92Å; T115-A283 WeakPolarHBondContact CG2-O 3.33Å; F280-A283 PolarHBondContact O-N 3.34Å; P281-A283 PolarHBondContact O-N 3.37Å |
| 284 | T | 92.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.012 | 5% | 0.051 | C | C | . | . | trans | -79 | 177.8 | 178.1 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | I83 F280 P281 F454 | I83-T284 VanDerWaalsContact CG1-O 3.24Å; I83-T284 WeakPolarHBondContact CG1-O 3.46Å; F280-T284 HydrophobicContact CD1-CG2 4.07Å; F280-T284 HydrophobicContact CE1-CG2 3.84Å; F280-T284 PolarHBondContact O-N 3.45Å; P281-T284 PolarHBondContact O-N 3.16Å; P281-T284 VanDerWaalsContact O-N 3.15Å; P281-T284 PolarHBondContact O-OG1 3.01Å; T284-F454 HydrophobicContact CG2-CB 3.86Å; T284-F454 HydrophobicContact CG2-CD1 3.94Å; T284-F454 HydrophobicContact CG2-CD2 4.04Å; T284-F454 HydrophobicContact CG2-CE1 4.45Å; T284-F454 HydrophobicContact CG2-CG 3.69Å | ||
| 285 | G | 88.5 | Confident | 88.6 | Confident | 14 Ų | 14 | 10.1 Ų | 10.1 | 14% | 0.144 | 7% | 0.065 | C | C | . | . | trans | 91 | 4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | M287 A288 | G285-M287 PolarHBondContact O-N 2.94Å; G285-M287 VanDerWaalsContact O-N 3.16Å; G285-A288 VanDerWaalsContact O-CB 3.29Å; G285-A288 WeakPolarHBondContact O-CB 3.45Å; G285-A288 PolarHBondContact O-N 3.49Å; G285-A288 VanDerWaalsContact O-N 3.11Å | ||
| 286 | I | 93 | Very high | 88.1 | Confident | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.8 | 177.8 | 66 | 174.8 | 0 | 0 | 0 | 113.6 | I83 T115 T118 T307 I311 Y458 | I83-I286 HydrophobicContact CD1-CG2 4.5Å; T115-I286 HydrophobicContact CG2-CG2 4.46Å; T118-I286 HydrophobicContact CG2-CD1 4.06Å; I286-T307 HydrophobicContact CB-CG2 4.1Å; I286-T307 WeakPolarHBondContact O-CG2 3Å; I286-I311 HydrophobicContact CB-CD1 4.43Å; I286-I311 HydrophobicContact CG2-CD1 3.78Å; I286-I311 HydrophobicContact CG2-CG1 3.82Å; I286-Y458 HydrophobicContact CD1-CE1 4.23Å; I286-Y458 HydrophobicContact CG1-CE1 4.29Å |
| 287 | M | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.4 | 179.9 | -71 | -163.8 | -89.1 | 0 | 0 | 113.9 | L122 F156 G285 G289 A290 N291 Y458 I461 | L122-M287 HydrophobicContact CD2-CG 4.02Å; F156-M287 HydrophobicContact CD1-CE 4.1Å; F156-M287 HydrophobicContact CD1-SD 4.42Å; F156-M287 HydrophobicContact CD2-CE 3.34Å; F156-M287 HydrophobicContact CE1-CB 4.22Å; F156-M287 HydrophobicContact CE1-CE 3.95Å; F156-M287 HydrophobicContact CE1-SD 4.06Å; F156-M287 HydrophobicContact CE2-CB 4.42Å; F156-M287 HydrophobicContact CE2-CE 3.17Å; F156-M287 HydrophobicContact CE2-SD 4.26Å; F156-M287 HydrophobicContact CG-CE 3.83Å; F156-M287 HydrophobicContact CZ-CB 3.69Å; F156-M287 HydrophobicContact CZ-CE 3.51Å; F156-M287 HydrophobicContact CZ-CG 4.36Å; F156-M287 HydrophobicContact CZ-SD 3.99Å; G285-M287 PolarHBondContact O-N 2.94Å; G285-M287 VanDerWaalsContact O-N 3.16Å; M287-G289 VanDerWaalsContact C-N 3.28Å; M287-G289 PolarHBondContact O-N 3.08Å; M287-A290 WeakPolarHBondContact O-CB 3.35Å; M287-A290 PolarHBondContact O-N 3.35Å; M287-N291 PolarHBondContact O-N 3.2Å; M287-N291 PolarHBondContact O-OD1 3.26Å; M287-Y458 HydrophobicContact CE-CD1 4.12Å; M287-Y458 HydrophobicContact CE-CE1 3.66Å; M287-I461 HydrophobicContact CE-CD1 3.72Å; M287-I461 HydrophobicContact SD-CD1 3.64Å |
| 288 | A | 87.2 | Confident | 87.3 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.9 | -37.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R78 C82 G285 N291 | R78-A288 HydrophobicContact CG-CB 4.26Å; C82-A288 HydrophobicContact CB-CB 3.93Å; C82-A288 WeakPolarHBondContact SG-CB 3.31Å; G285-A288 VanDerWaalsContact O-CB 3.29Å; G285-A288 WeakPolarHBondContact O-CB 3.45Å; G285-A288 PolarHBondContact O-N 3.49Å; G285-A288 VanDerWaalsContact O-N 3.11Å; A288-N291 PolarHBondContact O-N 3.11Å |
| 289 | G | 83.6 | Confident | 87 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.2 | -29.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | C79 M287 | C79-G289 PolarHBondContact SG-N 2.78Å; M287-G289 VanDerWaalsContact C-N 3.28Å; M287-G289 PolarHBondContact O-N 3.08Å |
| 290 | A | 87.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -75.6 | -24.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L122 G135 A136 M287 I292 S293 I303 | L122-A290 HydrophobicContact CD1-CB 4.37Å; L122-A290 HydrophobicContact CD2-CB 4.36Å; G135-A290 CarbonylContact C-O 3.36Å; A136-A290 HydrophobicContact CB-CB 4.04Å; A136-A290 PolarHBondContact N-O 2.95Å; A136-A290 VanDerWaalsContact N-O 3.07Å; M287-A290 WeakPolarHBondContact O-CB 3.35Å; M287-A290 PolarHBondContact O-N 3.35Å; A290-I292 PolarHBondContact O-N 3.43Å; A290-S293 VanDerWaalsContact O-CB 3.3Å; A290-S293 WeakPolarHBondContact O-CB 3.26Å; A290-S293 PolarHBondContact O-N 3.17Å; A290-S293 PolarHBondContact O-OG 2.91Å; A290-I303 HydrophobicContact CB-CD1 4.41Å |
| 291 | N | 85 | Confident | 86.5 | Confident | 28 Ų | 28 | 27.4 Ų | 27.4 | 15% | 0.15 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -27.7 | 177.9 | -73.3 | -11 | 0 | 0 | 0 | 113.2 | G135 A136 M287 A288 S393 | G135-N291 VanDerWaalsContact CA-O 3.26Å; G135-N291 WeakPolarHBondContact CA-O 3.41Å; A136-N291 WeakPolarHBondContact CB-OD1 3.39Å; M287-N291 PolarHBondContact O-N 3.2Å; M287-N291 PolarHBondContact O-OD1 3.26Å; A288-N291 PolarHBondContact O-N 3.11Å; N291-S393 PolarHBondContact ND2-OG 3.06Å |
| 292 | I | 79.4 | Confident | 86.4 | Confident | 18 Ų | 18 | 27.5 Ų | 27.5 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 29.9 | 177.2 | 57.1 | 158.1 | 0 | 0 | 0 | 113.2 | L69 G74 A290 G294 D295 | L69-I292 HydrophobicContact CD1-CD1 3.97Å; G74-I292 WeakPolarHBondContact O-CD1 3.24Å; A290-I292 PolarHBondContact O-N 3.43Å; I292-G294 PolarHBondContact O-N 3.22Å; I292-D295 PolarHBondContact O-N 2.92Å |
| 293 | S | 80.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -54 | -27.7 | -179.1 | 62 | 0 | 0 | 0 | 0 | 114.3 | G135 A290 D295 | G135-S293 VanDerWaalsContact CA-OG 3.23Å; G135-S293 WeakPolarHBondContact CA-OG 3.26Å; G135-S293 PolarHBondContact N-OG 3.03Å; G135-S293 PolarHBondContact O-OG 3.29Å; A290-S293 VanDerWaalsContact O-CB 3.3Å; A290-S293 WeakPolarHBondContact O-CB 3.26Å; A290-S293 PolarHBondContact O-N 3.17Å; A290-S293 PolarHBondContact O-OG 2.91Å; S293-D295 VanDerWaalsContact C-N 3.35Å |
| 294 | G | 74.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 27.5 Ų | 27.5 | 23% | 0.227 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -69.9 | -26.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | I292 | I292-G294 PolarHBondContact O-N 3.22Š|
| 295 | D | 77.4 | Confident | 86.5 | Confident | 93 Ų | 93 | 33.4 Ų | 33.4 | 50% | 0.497 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -92.2 | -5.7 | -177.3 | -58.9 | -34.3 | 0 | 0 | 0 | 111.6 | K68 L69 I292 S293 | K68-D295 CarbonylContact C-O 3.31Å; K68-D295 VanDerWaalsContact CA-O 3.28Å; K68-D295 WeakPolarHBondContact CA-O 3.27Å; K68-D295 WeakPolarHBondContact CB-O 3.43Å; L69-D295 HydrophobicContact CD1-CB 4.26Å; L69-D295 PolarHBondContact N-O 3.26Å; I292-D295 PolarHBondContact O-N 2.92Å; S293-D295 VanDerWaalsContact C-N 3.35Å |
| 296 | L | 83 | Confident | 86.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 139.5 | 179.1 | -62 | 176.8 | 0 | 0 | 0 | 111.6 | K68 L69 V75 P299 A302 I303 | K68-L296 WeakPolarHBondContact CD-O 3.47Å; L69-L296 HydrophobicContact CB-CD2 4.26Å; L69-L296 WeakPolarHBondContact O-CA 3.29Å; V75-L296 HydrophobicContact CG2-CD1 3.5Å; V75-L296 VanDerWaalsContact CG2-CD1 3.5Å; V75-L296 HydrophobicContact CG2-CD2 3.78Å; V75-L296 HydrophobicContact CG2-CG 4.31Å; L296-P299 HydrophobicContact CB-CB 4.29Å; L296-P299 HydrophobicContact CD1-CB 4.28Å; L296-A302 HydrophobicContact CD1-CB 4.13Å; L296-I303 HydrophobicContact CD1-CD1 4.33Å; L296-I303 HydrophobicContact CD1-CG1 3.82Å |
| 297 | K | 82.8 | Confident | 86.8 | Confident | 138 Ų | 138 | 32.8 Ų | 32.8 | 60% | 0.6 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -58.5 | -53.6 | 176.3 | -174.7 | 178 | 170.9 | 179.2 | 0 | 110.9 | K68 L69 | K68-K297 HydrophobicContact CB-CB 3.97Å; L69-K297 PolarHBondContact O-N 3.14Å |
| 298 | D | 86.4 | Confident | 87.1 | Confident | 89 Ų | 89 | 34.4 Ų | 34.4 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -133.8 | 81 | -177.8 | -62.4 | -52.2 | 0 | 0 | 0 | 110.3 | H300 T301 A302 | D298-H300 VanDerWaalsContact C-N 3.27Å; D298-H300 PolarHBondContact O-N 3.14Å; D298-T301 PolarHBondContact O-N 3.3Å; D298-T301 PolarHBondContact O-OG1 2.63Å; D298-A302 WeakPolarHBondContact O-CB 3.47Å; D298-A302 PolarHBondContact O-N 3.49Å |
| 299 | P | 87.5 | Confident | 87.5 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.071 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -35.6 | -174.3 | 20.3 | -32.6 | 0 | 0 | 0 | 113.6 | V131 L296 T301 A302 I303 | V131-P299 HydrophobicContact CB-CB 3.95Å; V131-P299 HydrophobicContact CB-CG 3.64Å; V131-P299 HydrophobicContact CG1-CB 3.82Å; V131-P299 HydrophobicContact CG1-CG 3.91Å; V131-P299 HydrophobicContact CG2-CB 4.4Å; V131-P299 HydrophobicContact CG2-CG 4.4Å; L296-P299 HydrophobicContact CB-CB 4.29Å; L296-P299 HydrophobicContact CD1-CB 4.28Å; P299-T301 VanDerWaalsContact C-N 3.27Å; P299-T301 PolarHBondContact O-N 3.19Å; P299-A302 PolarHBondContact O-N 2.77Å; P299-I303 HydrophobicContact CB-CD1 4.14Å; P299-I303 WeakPolarHBondContact O-CB 3.46Å; P299-I303 WeakPolarHBondContact O-CG1 3.42Å; P299-I303 PolarHBondContact O-N 2.65Å |
| 300 | H | 88 | Confident | 88.1 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.9 | -33.9 | -179.6 | -63.7 | -59.6 | 0 | 0 | 0 | 114.2 | A126 G129 D298 P304 | A126-H300 PolarHBondContact O-CE1 3.02Å; A126-H300 PolarHBondContact O-ND1 3.24Å; G129-H300 PolarHBondContact O-CE1 3.3Å; G129-H300 PolarHBondContact O-NE2 3.31Å; D298-H300 VanDerWaalsContact C-N 3.27Å; D298-H300 PolarHBondContact O-N 3.14Å; H300-P304 WeakPolarHBondContact O-CD 3.47Å; H300-P304 VanDerWaalsContact O-CG 3.32Å; H300-P304 WeakPolarHBondContact O-CG 3.49Å |
| 301 | T | 89.3 | Confident | 88.4 | Confident | 73 Ų | 73 | 37.6 Ų | 37.6 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -100.4 | -31.1 | 179.1 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | D298 P299 K305 | D298-T301 PolarHBondContact O-N 3.3Å; D298-T301 PolarHBondContact O-OG1 2.63Å; P299-T301 VanDerWaalsContact C-N 3.27Å; P299-T301 PolarHBondContact O-N 3.19Å; T301-K305 WeakPolarHBondContact O-CB 3.36Å; T301-K305 WeakPolarHBondContact O-CG 3.44Å; T301-K305 PolarHBondContact O-N 3.24Å |
| 302 | A | 92.2 | Very high | 89 | Confident | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.8 | -46.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W71 V75 L296 D298 P299 G306 | W71-A302 VanDerWaalsContact CB-CA 3.49Å; W71-A302 HydrophobicContact CB-CB 3.49Å; W71-A302 VanDerWaalsContact CB-CB 3.49Å; V75-A302 HydrophobicContact CG2-CB 4.07Å; L296-A302 HydrophobicContact CD1-CB 4.13Å; D298-A302 WeakPolarHBondContact O-CB 3.47Å; D298-A302 PolarHBondContact O-N 3.49Å; P299-A302 PolarHBondContact O-N 2.77Å; A302-G306 PolarHBondContact O-N 3.49Å |
| 303 | I | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -52 | -177.6 | -63.7 | 167.9 | 0 | 0 | 0 | 110.5 | V75 A126 L139 A290 L296 P299 K305 G306 T307 | V75-I303 HydrophobicContact CG2-CG1 4.38Å; A126-I303 HydrophobicContact CB-CB 4.23Å; A126-I303 HydrophobicContact CB-CD1 4.02Å; A126-I303 HydrophobicContact CB-CG2 4.07Å; L139-I303 HydrophobicContact CD1-CD1 4.2Å; A290-I303 HydrophobicContact CB-CD1 4.41Å; L296-I303 HydrophobicContact CD1-CD1 4.33Å; L296-I303 HydrophobicContact CD1-CG1 3.82Å; P299-I303 HydrophobicContact CB-CD1 4.14Å; P299-I303 WeakPolarHBondContact O-CB 3.46Å; P299-I303 WeakPolarHBondContact O-CG1 3.42Å; P299-I303 PolarHBondContact O-N 2.65Å; I303-K305 PolarHBondContact O-N 2.91Å; I303-G306 PolarHBondContact O-N 2.96Å; I303-T307 WeakPolarHBondContact O-CB 3.2Å; I303-T307 PolarHBondContact O-N 3.3Å; I303-T307 PolarHBondContact O-OG1 3.13Å; I303-T307 VanDerWaalsContact O-OG1 3.1Å |
| 304 | P | 93.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | -178.8 | -25.1 | 36.2 | 0 | 0 | 0 | 114.3 | C123 T127 H300 I308 F480 | C123-P304 HydrophobicContact CB-CB 4.1Å; C123-P304 HydrophobicContact CB-CG 4.01Å; C123-P304 WeakPolarHBondContact SG-CA 3.35Å; C123-P304 VanDerWaalsContact SG-CB 3.59Å; T127-P304 HydrophobicContact CG2-CG 4.31Å; H300-P304 WeakPolarHBondContact O-CD 3.47Å; H300-P304 VanDerWaalsContact O-CG 3.32Å; H300-P304 WeakPolarHBondContact O-CG 3.49Å; P304-I308 WeakPolarHBondContact O-CB 3.45Å; P304-I308 WeakPolarHBondContact O-CG1 3.5Å; P304-I308 PolarHBondContact O-N 3.38Å; P304-F480 HydrophobicContact CB-CD2 4.24Å; P304-F480 HydrophobicContact CB-CE2 3.85Å; P304-F480 HydrophobicContact CG-CD2 4.45Å |
| 305 | K | 93.9 | Very high | 91.3 | Very high | 127 Ų | 127 | 43.1 Ų | 43.1 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.5 | -48 | 179.5 | -70.6 | -179.9 | 179.9 | -178.3 | 0 | 111.5 | W71 T301 I303 L309 | W71-K305 HydrophobicContact CE3-CB 4.19Å; T301-K305 WeakPolarHBondContact O-CB 3.36Å; T301-K305 WeakPolarHBondContact O-CG 3.44Å; T301-K305 PolarHBondContact O-N 3.24Å; I303-K305 PolarHBondContact O-N 2.91Å; K305-L309 WeakPolarHBondContact O-CB 3.24Å; K305-L309 PolarHBondContact O-N 3.24Å |
| 306 | G | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.6 | -44.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L76 A302 I303 A310 | L76-G306 WeakPolarHBondContact CD1-O 3.36Å; A302-G306 PolarHBondContact O-N 3.49Å; I303-G306 PolarHBondContact O-N 2.96Å; G306-A310 WeakPolarHBondContact O-CB 3.42Å; G306-A310 PolarHBondContact O-N 3.41Å |
| 307 | T | 94.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -46.7 | -176.8 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | I286 I303 A310 I311 | I286-T307 HydrophobicContact CB-CG2 4.1Å; I286-T307 WeakPolarHBondContact O-CG2 3Å; I303-T307 WeakPolarHBondContact O-CB 3.2Å; I303-T307 PolarHBondContact O-N 3.3Å; I303-T307 PolarHBondContact O-OG1 3.13Å; I303-T307 VanDerWaalsContact O-OG1 3.1Å; T307-A310 PolarHBondContact O-N 2.94Å; T307-I311 HydrophobicContact CG2-CD1 4.16Å; T307-I311 WeakPolarHBondContact O-CG1 3.35Å; T307-I311 PolarHBondContact O-N 2.93Å |
| 308 | I | 95.1 | Very high | 93.4 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 19% | 0.19 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | -179.5 | -66.1 | 173.3 | 0 | 0 | 0 | 110.4 | M116 L120 P304 A310 I311 L312 F480 | M116-I308 HydrophobicContact CE-CG2 4.34Å; M116-I308 HydrophobicContact SD-CG2 4.28Å; L120-I308 HydrophobicContact CD2-CD1 4.29Å; P304-I308 WeakPolarHBondContact O-CB 3.45Å; P304-I308 WeakPolarHBondContact O-CG1 3.5Å; P304-I308 PolarHBondContact O-N 3.38Å; I308-A310 VanDerWaalsContact C-N 3.34Å; I308-A310 PolarHBondContact O-N 2.95Å; I308-I311 PolarHBondContact O-N 2.66Å; I308-L312 HydrophobicContact CG2-CD1 4.2Å; I308-L312 WeakPolarHBondContact O-CG 3.04Å; I308-L312 PolarHBondContact O-N 2.93Å; I308-F480 HydrophobicContact CD1-CZ 3.79Å |
| 309 | L | 95.6 | Very high | 93.8 | Very high | 68 Ų | 68 | 33 Ų | 33 | 36% | 0.356 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.2 | -38 | 178.3 | -174.6 | 64.5 | 0 | 0 | 0 | 111.8 | W71 L76 K305 I311 L312 I313 | W71-L309 HydrophobicContact CH2-CD2 4.21Å; W71-L309 HydrophobicContact CZ3-CD2 4.05Å; L76-L309 HydrophobicContact CD1-CB 3.95Å; L76-L309 HydrophobicContact CD1-CD2 3.98Å; L76-L309 HydrophobicContact CD1-CG 3.94Å; L76-L309 HydrophobicContact CD2-CD2 4.05Å; K305-L309 WeakPolarHBondContact O-CB 3.24Å; K305-L309 PolarHBondContact O-N 3.24Å; L309-I311 PolarHBondContact O-N 3.32Å; L309-L312 PolarHBondContact O-N 3.37Å; L309-I313 HydrophobicContact CD1-CD1 4.1Å; L309-I313 HydrophobicContact CD1-CG1 4.26Å; L309-I313 HydrophobicContact CD2-CD1 4.35Å; L309-I313 HydrophobicContact CG-CD1 3.77Å; L309-I313 HydrophobicContact CG-CG1 4.34Å; L309-I313 WeakPolarHBondContact O-CB 3.28Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 3.21Å |
| 310 | A | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L76 C79 I80 I83 G306 T307 I308 I313 T314 | L76-A310 HydrophobicContact CD1-CB 4.02Å; C79-A310 HydrophobicContact CB-CB 3.51Å; I80-A310 HydrophobicContact CG1-CB 3.95Å; I83-A310 HydrophobicContact CD1-CB 4.26Å; G306-A310 WeakPolarHBondContact O-CB 3.42Å; G306-A310 PolarHBondContact O-N 3.41Å; T307-A310 PolarHBondContact O-N 2.94Å; I308-A310 VanDerWaalsContact C-N 3.34Å; I308-A310 PolarHBondContact O-N 2.95Å; A310-I313 PolarHBondContact O-N 2.87Å; A310-T314 WeakPolarHBondContact O-CB 3.09Å; A310-T314 VanDerWaalsContact O-CG2 3.24Å; A310-T314 WeakPolarHBondContact O-CG2 3.34Å; A310-T314 PolarHBondContact O-N 3.35Å; A310-T314 PolarHBondContact O-OG1 3.31Å |
| 311 | I | 95.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 177.2 | -65.5 | 166 | 0 | 0 | 0 | 110 | M116 I286 T307 I308 L309 I313 T314 S315 | M116-I311 HydrophobicContact CE-CB 4.49Å; M116-I311 HydrophobicContact CE-CG2 4.03Å; I286-I311 HydrophobicContact CB-CD1 4.43Å; I286-I311 HydrophobicContact CG2-CD1 3.78Å; I286-I311 HydrophobicContact CG2-CG1 3.82Å; T307-I311 HydrophobicContact CG2-CD1 4.16Å; T307-I311 WeakPolarHBondContact O-CG1 3.35Å; T307-I311 PolarHBondContact O-N 2.93Å; I308-I311 PolarHBondContact O-N 2.66Å; L309-I311 PolarHBondContact O-N 3.32Å; I311-I313 PolarHBondContact O-N 3.33Å; I311-T314 PolarHBondContact O-N 2.89Å; I311-T314 PolarHBondContact O-OG1 3Å; I311-T314 VanDerWaalsContact O-OG1 3.08Å; I311-S315 VanDerWaalsContact O-CB 3.25Å; I311-S315 WeakPolarHBondContact O-CB 3.45Å; I311-S315 PolarHBondContact O-N 3.25Å; I311-S315 PolarHBondContact O-OG 3.3Å |
| 312 | L | 95.7 | Very high | 94.8 | Very high | 99 Ų | 99 | 30.4 Ų | 30.4 | 52% | 0.518 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | -179.7 | -68 | 175.6 | 0 | 0 | 0 | 112.8 | M116 I308 L309 G316 | M116-L312 HydrophobicContact CE-CD2 3.75Å; M116-L312 HydrophobicContact CE-CG 4.1Å; I308-L312 HydrophobicContact CG2-CD1 4.2Å; I308-L312 WeakPolarHBondContact O-CG 3.04Å; I308-L312 PolarHBondContact O-N 2.93Å; L309-L312 PolarHBondContact O-N 3.37Å; L312-G316 PolarHBondContact O-N 3.14Å |
| 313 | I | 95.3 | Very high | 94.9 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 32% | 0.323 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.6 | -48.6 | 178.4 | -70.3 | 170.8 | 0 | 0 | 0 | 110.7 | L76 I80 L309 A310 I311 G316 I317 | L76-I313 HydrophobicContact CD1-CD1 4.4Å; I80-I313 HydrophobicContact CD1-CD1 4.33Å; I80-I313 HydrophobicContact CD1-CG2 4.42Å; L309-I313 HydrophobicContact CD1-CD1 4.1Å; L309-I313 HydrophobicContact CD1-CG1 4.26Å; L309-I313 HydrophobicContact CD2-CD1 4.35Å; L309-I313 HydrophobicContact CG-CD1 3.77Å; L309-I313 HydrophobicContact CG-CG1 4.34Å; L309-I313 WeakPolarHBondContact O-CB 3.28Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 3.21Å; A310-I313 PolarHBondContact O-N 2.87Å; I311-I313 PolarHBondContact O-N 3.33Å; I313-G316 PolarHBondContact O-N 2.89Å; I313-I317 HydrophobicContact CG2-CD1 3.89Å; I313-I317 WeakPolarHBondContact O-CG1 3.32Å; I313-I317 PolarHBondContact O-N 2.77Å |
| 314 | T | 94.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -48.2 | -175.9 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | I80 I83 F84 A310 I311 G316 I317 Y318 | I80-T314 HydrophobicContact CG1-CG2 4.27Å; I83-T314 HydrophobicContact CB-CG2 3.96Å; I83-T314 HydrophobicContact CD1-CG2 4.16Å; I83-T314 HydrophobicContact CG2-CG2 3.68Å; F84-T314 HydrophobicContact CD1-CG2 4.16Å; F84-T314 HydrophobicContact CE1-CG2 3.74Å; F84-T314 HydrophobicContact CE2-CG2 4.16Å; F84-T314 HydrophobicContact CZ-CG2 3.73Å; A310-T314 WeakPolarHBondContact O-CB 3.09Å; A310-T314 VanDerWaalsContact O-CG2 3.24Å; A310-T314 WeakPolarHBondContact O-CG2 3.34Å; A310-T314 PolarHBondContact O-N 3.35Å; A310-T314 PolarHBondContact O-OG1 3.31Å; I311-T314 PolarHBondContact O-N 2.89Å; I311-T314 PolarHBondContact O-OG1 3Å; I311-T314 VanDerWaalsContact O-OG1 3.08Å; T314-G316 VanDerWaalsContact C-N 3.28Å; T314-G316 PolarHBondContact O-N 3.34Å; T314-I317 PolarHBondContact O-N 2.86Å; T314-I317 VanDerWaalsContact O-N 3.11Å; T314-Y318 WeakPolarHBondContact O-CD2 3.41Å; T314-Y318 PolarHBondContact O-N 3.47Å |
| 315 | S | 95 | Very high | 94.9 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.1 | -41.8 | 174 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | S112 I311 Y318 C319 | S112-S315 WeakPolarHBondContact CB-OG 3.17Å; S112-S315 WeakPolarHBondContact OG-CB 3.33Å; S112-S315 PolarHBondContact OG-OG 2.79Å; I311-S315 VanDerWaalsContact O-CB 3.25Å; I311-S315 WeakPolarHBondContact O-CB 3.45Å; I311-S315 PolarHBondContact O-N 3.25Å; I311-S315 PolarHBondContact O-OG 3.3Å; S315-Y318 PolarHBondContact O-N 2.94Å; S315-C319 PolarHBondContact O-N 3.01Å; S315-C319 PolarHBondContact O-SG 3.19Å; S315-C319 VanDerWaalsContact O-SG 3.35Å |
| 316 | G | 95.7 | Very high | 94.9 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 34% | 0.34 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L312 I313 T314 C319 L320 | L312-G316 PolarHBondContact O-N 3.14Å; I313-G316 PolarHBondContact O-N 2.89Å; T314-G316 VanDerWaalsContact C-N 3.28Å; T314-G316 PolarHBondContact O-N 3.34Å; G316-C319 PolarHBondContact O-N 2.97Å; G316-L320 WeakPolarHBondContact O-CG 3.39Å; G316-L320 PolarHBondContact O-N 2.75Å |
| 317 | I | 94.9 | Very high | 94.8 | Very high | 34 Ų | 34 | 28.8 Ų | 28.8 | 17% | 0.174 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 177.6 | -71.5 | 167 | 0 | 0 | 0 | 111.4 | F84 I231 I313 T314 C319 L320 C321 | F84-I317 HydrophobicContact CE1-CB 4.31Å; F84-I317 HydrophobicContact CE1-CG2 4.09Å; F84-I317 HydrophobicContact CE2-CD1 4.29Å; F84-I317 HydrophobicContact CZ-CB 4.07Å; F84-I317 HydrophobicContact CZ-CD1 3.64Å; F84-I317 HydrophobicContact CZ-CG1 4.44Å; F84-I317 HydrophobicContact CZ-CG2 3.99Å; I231-I317 HydrophobicContact CG2-CG2 4.26Å; I313-I317 HydrophobicContact CG2-CD1 3.89Å; I313-I317 WeakPolarHBondContact O-CG1 3.32Å; I313-I317 PolarHBondContact O-N 2.77Å; T314-I317 PolarHBondContact O-N 2.86Å; T314-I317 VanDerWaalsContact O-N 3.11Å; I317-C319 PolarHBondContact O-N 3.41Å; I317-L320 PolarHBondContact O-N 2.87Å; I317-C321 PolarHBondContact O-N 2.98Å; I317-C321 PolarHBondContact O-SG 2.76Å |
| 318 | Y | 95.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 173.9 | -79.6 | -70.1 | 0 | 0 | 0 | 111.7 | I83 F84 L88 L92 Y279 A282 T314 S315 L320 C321 I322 | I83-Y318 HydrophobicContact CG2-CE2 4.16Å; I83-Y318 PolarHBondContact O-OH 2.77Å; F84-Y318 HydrophobicContact CD1-CE2 4.15Å; F84-Y318 HydrophobicContact CE1-CE2 4.15Å; L88-Y318 HydrophobicContact CB-CE1 3.8Å; L88-Y318 HydrophobicContact CD1-CD1 3.76Å; L88-Y318 HydrophobicContact CD1-CE1 3.53Å; L88-Y318 HydrophobicContact CG-CE1 4.24Å; L92-Y318 HydrophobicContact CD1-CD1 4.01Å; L92-Y318 HydrophobicContact CD2-CD1 3.92Å; Y279-Y318 HydrophobicContact CE2-CD1 4.17Å; Y279-Y318 HydrophobicContact CE2-CE1 4.48Å; A282-Y318 HydrophobicContact CB-CE1 4.2Å; T314-Y318 WeakPolarHBondContact O-CD2 3.41Å; T314-Y318 PolarHBondContact O-N 3.47Å; S315-Y318 PolarHBondContact O-N 2.94Å; Y318-L320 PolarHBondContact O-N 3.44Å; Y318-C321 PolarHBondContact O-N 3.38Å; Y318-I322 WeakPolarHBondContact O-CG1 3.27Å; Y318-I322 PolarHBondContact O-N 2.82Å |
| 319 | C | 96 | Very high | 94.5 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 26% | 0.264 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.9 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | L105 S315 G316 I317 C321 I322 L323 | L105-C319 HydrophobicContact CD2-CB 3.87Å; S315-C319 PolarHBondContact O-N 3.01Å; S315-C319 PolarHBondContact O-SG 3.19Å; S315-C319 VanDerWaalsContact O-SG 3.35Å; G316-C319 PolarHBondContact O-N 2.97Å; I317-C319 PolarHBondContact O-N 3.41Å; C319-C321 PolarHBondContact O-N 3.13Å; C319-I322 PolarHBondContact O-N 3.16Å; C319-L323 WeakPolarHBondContact O-CG 3.32Å; C319-L323 PolarHBondContact O-N 3Å |
| 320 | L | 95.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 24.6 Ų | 24.6 | 49% | 0.487 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 177.8 | -71.8 | 173.2 | 0 | 0 | 0 | 112.3 | F235 G316 I317 Y318 L323 A324 | F235-L320 HydrophobicContact CE1-CB 3.88Å; F235-L320 HydrophobicContact CZ-CB 3.66Å; G316-L320 WeakPolarHBondContact O-CG 3.39Å; G316-L320 PolarHBondContact O-N 2.75Å; I317-L320 PolarHBondContact O-N 2.87Å; Y318-L320 PolarHBondContact O-N 3.44Å; L320-L323 PolarHBondContact O-N 2.94Å; L320-A324 VanDerWaalsContact O-CB 3.3Å; L320-A324 WeakPolarHBondContact O-CB 3.11Å; L320-A324 PolarHBondContact O-N 2.88Å |
| 321 | C | 94.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.2 | -38.7 | 176.9 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | L92 F234 I317 Y318 C319 T325 | L92-C321 HydrophobicContact CD2-CB 3.47Å; L92-C321 VanDerWaalsContact CD2-CB 3.47Å; F234-C321 HydrophobicContact CE1-CB 4.27Å; I317-C321 PolarHBondContact O-N 2.98Å; I317-C321 PolarHBondContact O-SG 2.76Å; Y318-C321 PolarHBondContact O-N 3.38Å; C319-C321 PolarHBondContact O-N 3.13Å; C321-T325 WeakPolarHBondContact O-CB 3.39Å; C321-T325 PolarHBondContact O-N 3.09Å; C321-T325 PolarHBondContact O-OG1 2.85Å |
| 322 | I | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 174 | -69.1 | 167.5 | 0 | 0 | 0 | 110.3 | L92 T96 V101 L105 V108 Y318 C319 T325 G326 | L92-I322 HydrophobicContact CD1-CD1 3.99Å; L92-I322 HydrophobicContact CD1-CG1 3.78Å; L92-I322 HydrophobicContact CD2-CG1 4.18Å; L92-I322 HydrophobicContact CG-CG1 3.96Å; T96-I322 HydrophobicContact CG2-CG2 3.92Å; V101-I322 HydrophobicContact CG1-CG2 4.2Å; L105-I322 HydrophobicContact CD2-CB 4.39Å; L105-I322 HydrophobicContact CD2-CD1 4.39Å; L105-I322 HydrophobicContact CD2-CG2 4.22Å; L105-I322 HydrophobicContact CG-CG2 4.24Å; V108-I322 HydrophobicContact CG2-CD1 3.36Å; Y318-I322 WeakPolarHBondContact O-CG1 3.27Å; Y318-I322 PolarHBondContact O-N 2.82Å; C319-I322 PolarHBondContact O-N 3.16Å; I322-T325 PolarHBondContact O-N 3.06Å; I322-G326 PolarHBondContact O-N 3.14Å |
| 323 | L | 94.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 21.2 Ų | 21.2 | 29% | 0.293 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 178.1 | -71 | 172.4 | 0 | 0 | 0 | 111 | V101 L105 F259 C319 L320 T325 G326 F327 | V101-L323 HydrophobicContact CG1-CD2 3.98Å; L105-L323 HydrophobicContact CD1-CD2 4.15Å; F259-L323 HydrophobicContact CE2-CD2 4.29Å; C319-L323 WeakPolarHBondContact O-CG 3.32Å; C319-L323 PolarHBondContact O-N 3Å; L320-L323 PolarHBondContact O-N 2.94Å; L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 PolarHBondContact O-N 3.11Å; L323-G326 PolarHBondContact O-N 3.11Å; L323-F327 WeakPolarHBondContact O-CD2 3.14Å; L323-F327 PolarHBondContact O-N 3.39Å |
| 324 | A | 93.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F234 F235 T238 L320 F327 T328 | F234-A324 HydrophobicContact CE1-CB 4.37Å; F234-A324 HydrophobicContact CZ-CB 4.31Å; F235-A324 HydrophobicContact CE1-CB 4.41Å; T238-A324 HydrophobicContact CG2-CB 4.36Å; L320-A324 VanDerWaalsContact O-CB 3.3Å; L320-A324 WeakPolarHBondContact O-CB 3.11Å; L320-A324 PolarHBondContact O-N 2.88Å; A324-F327 PolarHBondContact O-N 3.09Å; A324-T328 WeakPolarHBondContact O-CB 3.09Å; A324-T328 VanDerWaalsContact O-CG2 3.26Å; A324-T328 WeakPolarHBondContact O-CG2 3.25Å; A324-T328 PolarHBondContact O-N 3.26Å; A324-T328 VanDerWaalsContact O-N 3.11Å; A324-T328 PolarHBondContact O-OG1 2.94Å |
| 325 | T | 92.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | A93 C321 I322 L323 F327 T328 C329 V364 | A93-T325 HydrophobicContact CB-CG2 3.93Å; C321-T325 WeakPolarHBondContact O-CB 3.39Å; C321-T325 PolarHBondContact O-N 3.09Å; C321-T325 PolarHBondContact O-OG1 2.85Å; I322-T325 PolarHBondContact O-N 3.06Å; L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 PolarHBondContact O-N 3.11Å; T325-F327 VanDerWaalsContact C-N 3.3Å; T325-F327 PolarHBondContact O-N 3.4Å; T325-T328 PolarHBondContact O-N 2.87Å; T325-C329 HydrophobicContact CG2-CB 4.37Å; T325-C329 PolarHBondContact O-N 3.17Å; T325-V364 HydrophobicContact CG2-CG1 4.45Å |
| 326 | G | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -33.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F259 N262 I322 L323 | F259-G326 WeakPolarHBondContact CA-O 3.36Å; N262-G326 PolarHBondContact ND2-O 3.17Å; I322-G326 PolarHBondContact O-N 3.14Å; L323-G326 PolarHBondContact O-N 3.11Å |
| 327 | F | 93.4 | Very high | 92 | Very high | 43 Ų | 43 | 23.3 Ų | 23.3 | 19% | 0.189 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -80.6 | -27.7 | 176.4 | -84.6 | -74.1 | 0 | 0 | 0 | 114.3 | Y254 S255 W256 F259 L323 A324 T325 | Y254-F327 HydrophobicContact CD1-CB 3.47Å; Y254-F327 VanDerWaalsContact CD1-CB 3.47Å; Y254-F327 HydrophobicContact CD1-CD1 4.49Å; Y254-F327 HydrophobicContact CD1-CD2 4.49Å; Y254-F327 AromaticContact CD1-CG 3.94Å; Y254-F327 HydrophobicContact CD1-CG 3.94Å; Y254-F327 HydrophobicContact CE1-CB 3.86Å; Y254-F327 HydrophobicContact CE1-CG 4.35Å; Y254-F327 HydrophobicContact CG-CB 4.47Å; S255-F327 PolarHBondContact N-O 3.21Å; S255-F327 VanDerWaalsContact N-O 3.11Å; W256-F327 AromaticContact CE3-CE1 3.81Å; W256-F327 HydrophobicContact CE3-CE1 3.81Å; W256-F327 HydrophobicContact CE3-CZ 4.33Å; W256-F327 HydrophobicContact CZ3-CE1 4.03Å; W256-F327 HydrophobicContact CZ3-CZ 4.07Å; F259-F327 HydrophobicContact CB-CD1 3.5Å; F259-F327 HydrophobicContact CB-CE1 3.48Å; F259-F327 VanDerWaalsContact CB-CE1 3.48Å; F259-F327 HydrophobicContact CB-CG 4.17Å; F259-F327 HydrophobicContact CB-CZ 4.15Å; F259-F327 HydrophobicContact CD1-CE1 4.09Å; F259-F327 HydrophobicContact CD1-CZ 4.07Å; F259-F327 AromaticContact CD2-CD1 3.91Å; F259-F327 HydrophobicContact CD2-CD1 3.91Å; F259-F327 AromaticContact CD2-CD2 3.74Å; F259-F327 HydrophobicContact CD2-CD2 3.74Å; F259-F327 AromaticContact CD2-CE1 3.67Å; F259-F327 HydrophobicContact CD2-CE1 3.67Å; F259-F327 AromaticContact CD2-CE2 3.48Å; F259-F327 HydrophobicContact CD2-CE2 3.48Å; F259-F327 VanDerWaalsContact CD2-CE2 3.48Å; F259-F327 AromaticContact CD2-CG 3.92Å; F259-F327 HydrophobicContact CD2-CG 3.92Å; F259-F327 AromaticContact CD2-CZ 3.43Å; F259-F327 HydrophobicContact CD2-CZ 3.43Å; F259-F327 VanDerWaalsContact CD2-CZ 3.43Å; F259-F327 HydrophobicContact CE1-CZ 4.34Å; F259-F327 HydrophobicContact CE2-CD2 4.19Å; F259-F327 HydrophobicContact CE2-CE1 4.41Å; F259-F327 AromaticContact CE2-CE2 3.61Å; F259-F327 HydrophobicContact CE2-CE2 3.61Å; F259-F327 AromaticContact CE2-CZ 3.73Å; F259-F327 HydrophobicContact CE2-CZ 3.73Å; F259-F327 AromaticContact CG-CD1 3.88Å; F259-F327 HydrophobicContact CG-CD1 3.88Å; F259-F327 HydrophobicContact CG-CD2 4.5Å; F259-F327 AromaticContact CG-CE1 3.47Å; F259-F327 HydrophobicContact CG-CE1 3.47Å; F259-F327 VanDerWaalsContact CG-CE1 3.47Å; F259-F327 HydrophobicContact CG-CE2 4.15Å; F259-F327 HydrophobicContact CG-CG 4.35Å; F259-F327 AromaticContact CG-CZ 3.61Å; F259-F327 HydrophobicContact CG-CZ 3.61Å; F259-F327 HydrophobicContact CZ-CE2 4.39Å; F259-F327 HydrophobicContact CZ-CZ 4.19Å; L323-F327 WeakPolarHBondContact O-CD2 3.14Å; L323-F327 PolarHBondContact O-N 3.39Å; A324-F327 PolarHBondContact O-N 3.09Å; T325-F327 VanDerWaalsContact C-N 3.3Å; T325-F327 PolarHBondContact O-N 3.4Å |
| 328 | T | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -107.8 | -29 | -165.1 | 57.9 | 0 | 0 | 0 | 0 | 114.9 | Q252 G253 Y254 A324 T325 | Q252-T328 PolarHBondContact N-O 2.95Å; G253-T328 WeakPolarHBondContact O-CA 3.5Å; Y254-T328 HydrophobicContact CD1-CG2 4.17Å; Y254-T328 HydrophobicContact CD2-CG2 4.11Å; Y254-T328 HydrophobicContact CE1-CG2 4.16Å; Y254-T328 HydrophobicContact CE2-CG2 4.13Å; Y254-T328 HydrophobicContact CG-CG2 4.12Å; A324-T328 WeakPolarHBondContact O-CB 3.09Å; A324-T328 VanDerWaalsContact O-CG2 3.26Å; A324-T328 WeakPolarHBondContact O-CG2 3.25Å; A324-T328 PolarHBondContact O-N 3.26Å; A324-T328 VanDerWaalsContact O-N 3.11Å; A324-T328 PolarHBondContact O-OG1 2.94Å; T325-T328 PolarHBondContact O-N 2.87Å |
| 329 | C | 91.3 | Very high | 91 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 140.2 | -174.1 | -77.9 | 0 | 0 | 0 | 0 | 112.6 | G250 L251 T258 N262 T325 V364 Q368 | G250-C329 CarbonylContact O-C 3.28Å; G250-C329 WeakPolarHBondContact O-CA 3.47Å; L251-C329 VanDerWaalsContact CD1-SG 3.54Å; T258-C329 WeakPolarHBondContact CG2-O 3.48Å; N262-C329 PolarHBondContact ND2-O 3.41Å; T325-C329 HydrophobicContact CG2-CB 4.37Å; T325-C329 PolarHBondContact O-N 3.17Å; C329-V364 HydrophobicContact CB-CG1 4.43Å; C329-Q368 PolarHBondContact SG-NE2 2.94Å |
| 330 | L | 91.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | trans | -73.6 | 154.3 | 165 | -67.6 | 172.1 | 0 | 0 | 0 | 111.1 | G250 Q252 T258 E332 S358 | G250-L330 PolarHBondContact O-N 3.08Å; Q252-L330 HydrophobicContact CG-CD1 4.24Å; Q252-L330 HydrophobicContact CG-CG 4.21Å; T258-L330 HydrophobicContact CG2-CD2 4.13Å; L330-E332 VanDerWaalsContact C-N 3.34Å; L330-S358 PolarHBondContact O-N 3.03Å; L330-S358 PolarHBondContact O-OG 2.82Å | ||
| 331 | K | 89.5 | Confident | 89.9 | Confident | 24 Ų | 24 | 32.5 Ų | 32.5 | 10% | 0.104 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -58.9 | -47.5 | 171.3 | -74.7 | 178.2 | 178.8 | 173.3 | 0 | 111.1 | A97 M264 T266 G357 S358 M359 | A97-K331 HydrophobicContact CB-CG 4.45Å; A97-K331 VanDerWaalsContact O-CE 3.25Å; A97-K331 WeakPolarHBondContact O-CE 3.33Å; M264-K331 PolarHBondContact O-NZ 2.82Å; T266-K331 PolarHBondContact OG1-NZ 2.83Å; K331-G357 CarbonylContact O-C 3.32Å; K331-G357 WeakPolarHBondContact O-CA 3.34Å; K331-S358 WeakPolarHBondContact CA-OG 3.33Å; K331-S358 PolarHBondContact O-N 3.26Å; K331-M359 VanDerWaalsContact O-CB 3.27Å; K331-M359 WeakPolarHBondContact O-CB 3.47Å; K331-M359 PolarHBondContact O-N 2.75Å |
| 332 | E | 89.2 | Confident | 89.4 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | trans | -133.3 | 144.9 | -176 | -61 | -160.2 | 165.1 | 0 | 0 | 112.3 | L330 E349 C354 M359 | L330-E332 VanDerWaalsContact C-N 3.34Å; E332-E349 WeakPolarHBondContact OE2-CA 3.31Å; E332-E349 WeakPolarHBondContact OE2-CB 3.5Å; E332-E349 VanDerWaalsContact OE2-CG 3.26Å; E332-E349 WeakPolarHBondContact OE2-CG 3.43Å; E332-E349 PolarHBondContact OE2-N 3.26Å; E332-C354 HydrophobicContact CB-CB 4.2Å; E332-C354 PolarHBondContact OE2-SG 2.77Å; E332-M359 HydrophobicContact CG-CB 4.4Å | ||
| 333 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -152.4 | 141.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K249 I345 Y356 | K249-A333 VanDerWaalsContact C-CB 3.45Å; K249-A333 WeakPolarHBondContact O-CB 3.27Å; A333-I345 HydrophobicContact CB-CG2 3.81Å; A333-Y356 PolarHBondContact N-O 3.44Å; A333-Y356 CarbonylContact O-C 3.56Å; A333-Y356 WeakPolarHBondContact O-CA 3.26Å; A333-Y356 PolarHBondContact O-N 2.87Å |
| 334 | S | 88 | Confident | 88.3 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | trans | -75.5 | -27.2 | -180 | 68.5 | 0 | 0 | 0 | 0 | 114 | S336 D339 I345 C348 T355 | S334-S336 VanDerWaalsContact C-N 3.27Å; S334-S336 PolarHBondContact OG-N 2.95Å; S334-D339 WeakPolarHBondContact CB-OD2 3.34Å; S334-D339 WeakPolarHBondContact OG-CB 3.41Å; S334-D339 PolarHBondContact OG-OD2 3.05Å; S334-I345 PolarHBondContact N-O 3.45Å; S334-C348 PolarHBondContact N-SG 2.97Å; S334-T355 PolarHBondContact O-OG1 3.36Å | ||
| 335 | G | 86.8 | Confident | 87.8 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | trans | 82.1 | -3.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A248 | A248-G335 WeakPolarHBondContact O-CA 3.41Å; A248-G335 PolarHBondContact O-N 2.99Å | ||
| 336 | S | 86.8 | Confident | 87.2 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | trans | -84.5 | 129 | -179.8 | -179 | 0 | 0 | 0 | 0 | 111.7 | S334 Q338 D339 L340 | S334-S336 VanDerWaalsContact C-N 3.27Å; S334-S336 PolarHBondContact OG-N 2.95Å; S336-Q338 PolarHBondContact O-N 3.02Å; S336-Q338 PolarHBondContact OG-N 3.43Å; S336-D339 WeakPolarHBondContact CB-OD2 3.25Å; S336-D339 PolarHBondContact O-N 3.27Å; S336-L340 PolarHBondContact O-N 3.22Å | ||
| 337 | L | 87.2 | Confident | 86.6 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 40% | 0.403 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -28 | 172.4 | -73.1 | 170.5 | 0 | 0 | 0 | 112.1 | D244 E245 A248 L340 H341 | D244-L337 HydrophobicContact CB-CD2 4.22Å; E245-L337 HydrophobicContact CG-CD2 4.29Å; A248-L337 HydrophobicContact CB-CD2 4.15Å; L337-L340 HydrophobicContact CD2-CD2 4.44Å; L337-L340 WeakPolarHBondContact O-CB 3.32Å; L337-L340 PolarHBondContact O-N 3.48Å; L337-H341 PolarHBondContact O-N 2.97Å |
| 338 | Q | 85.5 | Confident | 86.1 | Confident | 135 Ų | 135 | 48.3 Ų | 48.3 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.4 | -46.7 | 177.7 | -65.5 | 177.1 | -2.1 | 0 | 0 | 110.6 | S336 L340 H341 Y342 | S336-Q338 PolarHBondContact O-N 3.02Å; S336-Q338 PolarHBondContact OG-N 3.43Å; Q338-L340 PolarHBondContact O-N 3.17Å; Q338-H341 PolarHBondContact O-N 3.09Å; Q338-Y342 HydrophobicContact CB-CD2 4.38Å; Q338-Y342 HydrophobicContact CB-CE2 4.21Å; Q338-Y342 WeakPolarHBondContact O-CD2 3.24Å; Q338-Y342 PolarHBondContact O-N 3.49Å |
| 339 | D | 84.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -29.4 | 179 | -62.7 | -23.6 | 0 | 0 | 0 | 112.2 | S334 S336 G343 T344 I345 | S334-D339 WeakPolarHBondContact CB-OD2 3.34Å; S334-D339 WeakPolarHBondContact OG-CB 3.41Å; S334-D339 PolarHBondContact OG-OD2 3.05Å; S336-D339 WeakPolarHBondContact CB-OD2 3.25Å; S336-D339 PolarHBondContact O-N 3.27Å; D339-G343 PolarHBondContact O-N 3.07Å; D339-T344 PolarHBondContact O-N 3.22Å; D339-I345 WeakPolarHBondContact O-CG1 3.02Å; D339-I345 PolarHBondContact O-N 3.11Å |
| 340 | L | 84.3 | Confident | 85.1 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 171.5 | 174.4 | 66.5 | 0 | 0 | 0 | 111.6 | D244 K247 A248 S336 L337 Q338 Y342 G343 I345 | D244-L340 HydrophobicContact CB-CD2 3.83Å; D244-L340 WeakPolarHBondContact O-CD2 3.41Å; K247-L340 HydrophobicContact CB-CD1 3.89Å; K247-L340 HydrophobicContact CB-CD2 3.89Å; A248-L340 HydrophobicContact CB-CB 4.29Å; A248-L340 HydrophobicContact CB-CD2 4.32Å; S336-L340 PolarHBondContact O-N 3.22Å; L337-L340 HydrophobicContact CD2-CD2 4.44Å; L337-L340 WeakPolarHBondContact O-CB 3.32Å; L337-L340 PolarHBondContact O-N 3.48Å; Q338-L340 PolarHBondContact O-N 3.17Å; L340-Y342 VanDerWaalsContact C-N 3.34Å; L340-G343 PolarHBondContact O-N 3.37Å; L340-I345 VanDerWaalsContact CA-CG1 3.49Å; L340-I345 HydrophobicContact CB-CD1 4.03Å; L340-I345 HydrophobicContact CB-CG1 4.17Å; L340-I345 HydrophobicContact CD1-CD1 3.38Å; L340-I345 HydrophobicContact CD1-CG1 4.4Å; L340-I345 HydrophobicContact CG-CD1 4.3Å |
| 341 | H | 84.7 | Confident | 84.5 | Confident | 144 Ų | 144 | 65 Ų | 65 | 67% | 0.667 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.7 | -32.3 | 179.1 | -67.4 | 174.3 | 0 | 0 | 0 | 112.8 | L337 Q338 | L337-H341 PolarHBondContact O-N 2.97Å; Q338-H341 PolarHBondContact O-N 3.09Å |
| 342 | Y | 83.8 | Confident | 83.9 | Confident | 184 Ų | 184 | 70 Ų | 70 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -83.9 | -8.9 | 176.3 | -64.8 | -60.7 | 0 | 0 | 0 | 114 | Q338 L340 T344 | Q338-Y342 HydrophobicContact CB-CD2 4.38Å; Q338-Y342 HydrophobicContact CB-CE2 4.21Å; Q338-Y342 WeakPolarHBondContact O-CD2 3.24Å; Q338-Y342 PolarHBondContact O-N 3.49Å; L340-Y342 VanDerWaalsContact C-N 3.34Å; Y342-T344 VanDerWaalsContact C-N 3.27Å; Y342-T344 PolarHBondContact O-N 3.49Å |
| 343 | G | 80.9 | Confident | 83.7 | Confident | 62 Ų | 62 | 75.8 Ų | 75.8 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 16 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D339 L340 | D339-G343 PolarHBondContact O-N 3.07Å; L340-G343 PolarHBondContact O-N 3.37Å |
| 344 | T | 85.7 | Confident | 83.4 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | trans | -104.2 | 20.6 | -175.2 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | D339 Y342 S346 A347 | D339-T344 PolarHBondContact O-N 3.22Å; Y342-T344 VanDerWaalsContact C-N 3.27Å; Y342-T344 PolarHBondContact O-N 3.49Å; T344-S346 PolarHBondContact O-N 2.98Å; T344-S346 VanDerWaalsContact O-N 3.13Å; T344-A347 WeakPolarHBondContact O-CB 3.39Å; T344-A347 PolarHBondContact O-N 2.76Å | ||
| 345 | I | 83.7 | Confident | 83.3 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36.3 | -174 | -53.2 | 168.4 | 0 | 0 | 0 | 113.6 | A333 S334 D339 L340 | A333-I345 HydrophobicContact CB-CG2 3.81Å; S334-I345 PolarHBondContact N-O 3.45Å; D339-I345 WeakPolarHBondContact O-CG1 3.02Å; D339-I345 PolarHBondContact O-N 3.11Å; L340-I345 VanDerWaalsContact CA-CG1 3.49Å; L340-I345 HydrophobicContact CB-CD1 4.03Å; L340-I345 HydrophobicContact CB-CG1 4.17Å; L340-I345 HydrophobicContact CD1-CD1 3.38Å; L340-I345 HydrophobicContact CD1-CG1 4.4Å; L340-I345 HydrophobicContact CG-CD1 4.3Å |
| 346 | S | 80 | Confident | 83.4 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.2 | -179.6 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | T344 C348 E349 | T344-S346 PolarHBondContact O-N 2.98Å; T344-S346 VanDerWaalsContact O-N 3.13Å; S346-C348 PolarHBondContact O-N 3.36Å; S346-E349 VanDerWaalsContact O-CB 3.27Å; S346-E349 WeakPolarHBondContact O-CB 3.33Å; S346-E349 PolarHBondContact O-N 3.24Å |
| 347 | A | 80.5 | Confident | 83.4 | Confident | 47 Ų | 47 | 79.4 Ų | 79.4 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -69.1 | -18.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T344 E349 V350 | T344-A347 WeakPolarHBondContact O-CB 3.39Å; T344-A347 PolarHBondContact O-N 2.76Å; A347-E349 PolarHBondContact O-N 3.15Å; A347-V350 PolarHBondContact O-N 3Å |
| 348 | C | 82.4 | Confident | 83.4 | Confident | 21 Ų | 21 | 76 Ų | 76 | 14% | 0.142 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -65.2 | -13.7 | 174.8 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | S334 S346 V350 Y351 H352 N353 C354 | S334-C348 PolarHBondContact N-SG 2.97Å; S346-C348 PolarHBondContact O-N 3.36Å; C348-V350 VanDerWaalsContact C-N 3.3Å; C348-V350 PolarHBondContact O-N 3.07Å; C348-Y351 PolarHBondContact O-N 2.98Å; C348-H352 PolarHBondContact O-N 3.37Å; C348-H352 VanDerWaalsContact O-N 3.16Å; C348-N353 PolarHBondContact O-N 2.95Å; C348-C354 VanDerWaalsContact CA-SG 3.53Å; C348-C354 HydrophobicContact CB-CB 4.03Å; C348-C354 WeakPolarHBondContact CB-SG 3.38Å; C348-C354 VanDerWaalsContact SG-CA 3.53Å; C348-C354 WeakPolarHBondContact SG-CB 3.44Å; C348-C354 CovalentContact SG-SG 2.01Å; C348-C354 PolarHBondContact SG-SG 3.39Å |
| 349 | E | 81.5 | Confident | 83.6 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -59.4 | -40.1 | 174.7 | -173.6 | 173.6 | 177 | 0 | 0 | 112.2 | E332 S346 A347 Y351 H352 C354 | E332-E349 WeakPolarHBondContact OE2-CA 3.31Å; E332-E349 WeakPolarHBondContact OE2-CB 3.5Å; E332-E349 VanDerWaalsContact OE2-CG 3.26Å; E332-E349 WeakPolarHBondContact OE2-CG 3.43Å; E332-E349 PolarHBondContact OE2-N 3.26Å; S346-E349 VanDerWaalsContact O-CB 3.27Å; S346-E349 WeakPolarHBondContact O-CB 3.33Å; S346-E349 PolarHBondContact O-N 3.24Å; A347-E349 PolarHBondContact O-N 3.15Å; E349-Y351 PolarHBondContact O-N 3.17Å; E349-Y351 VanDerWaalsContact O-N 3.17Å; E349-H352 PolarHBondContact O-N 3.39Å; E349-C354 PolarHBondContact N-SG 3.35Å |
| 350 | V | 81 | Confident | 83.6 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.9 | -178.7 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | A347 C348 | A347-V350 PolarHBondContact O-N 3Å; C348-V350 VanDerWaalsContact C-N 3.3Å; C348-V350 PolarHBondContact O-N 3.07Å |
| 351 | Y | 79.3 | Confident | 83.8 | Confident | 172 Ų | 172 | 71.1 Ų | 71.1 | 68% | 0.675 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -105.6 | 1.6 | -177.5 | -58.8 | -74.4 | 0 | 0 | 0 | 113.4 | C348 E349 N353 | C348-Y351 PolarHBondContact O-N 2.98Å; E349-Y351 PolarHBondContact O-N 3.17Å; E349-Y351 VanDerWaalsContact O-N 3.17Å; Y351-N353 PolarHBondContact O-N 2.97Å; Y351-N353 VanDerWaalsContact O-N 3.12Å |
| 352 | H | 77.2 | Confident | 83.9 | Confident | 127 Ų | 127 | 67.4 Ų | 67.4 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 32.6 | -173.8 | -62.2 | -60.1 | 0 | 0 | 0 | 114.3 | H268 C348 E349 | H268-H352 AromaticContact CE1-CE1 3.74Å; H268-H352 AromaticContact ND1-CE1 3.8Å; C348-H352 PolarHBondContact O-N 3.37Å; C348-H352 VanDerWaalsContact O-N 3.16Å; E349-H352 PolarHBondContact O-N 3.39Å |
| 353 | N | 83.9 | Confident | 84.1 | Confident | 130 Ų | 130 | 59 Ų | 59 | 70% | 0.695 | 32% | 0.324 | S | S | * | . | trans | -113.7 | 14.6 | -175.6 | -81.9 | -13.4 | 0 | 0 | 0 | 113.1 | C348 Y351 T355 | C348-N353 PolarHBondContact O-N 2.95Å; Y351-N353 PolarHBondContact O-N 2.97Å; Y351-N353 VanDerWaalsContact O-N 3.12Å; N353-T355 PolarHBondContact O-N 3.33Å | ||
| 354 | C | 84.3 | Confident | 84.5 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | trans | -66.7 | 131.8 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | E332 C348 E349 N360 | E332-C354 HydrophobicContact CB-CB 4.2Å; E332-C354 PolarHBondContact OE2-SG 2.77Å; C348-C354 VanDerWaalsContact CA-SG 3.53Å; C348-C354 HydrophobicContact CB-CB 4.03Å; C348-C354 WeakPolarHBondContact CB-SG 3.38Å; C348-C354 VanDerWaalsContact SG-CA 3.53Å; C348-C354 WeakPolarHBondContact SG-CB 3.44Å; C348-C354 CovalentContact SG-SG 2.01Å; C348-C354 PolarHBondContact SG-SG 3.39Å; E349-C354 PolarHBondContact N-SG 3.35Å; C354-N360 PolarHBondContact O-ND2 3.22Å | ||
| 355 | T | 85.2 | Confident | 84.7 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 52% | 0.521 | 28% | 0.277 | S | S | . | . | trans | -94.7 | -23.2 | 178.5 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | S334 N353 | S334-T355 PolarHBondContact O-OG1 3.36Å; N353-T355 PolarHBondContact O-N 3.33Å | ||
| 356 | Y | 88.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 54 Ų | 54 | 26% | 0.263 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -122.7 | -178.5 | -179.1 | -65.3 | -81.8 | 0 | 0 | 0 | 111.4 | K249 A333 Y361 M367 | K249-Y356 HydrophobicContact CB-CD1 4.2Å; K249-Y356 HydrophobicContact CB-CG 4.14Å; K249-Y356 HydrophobicContact CD-CD1 4.08Å; K249-Y356 HydrophobicContact CD-CE1 3.87Å; K249-Y356 HydrophobicContact CG-CD1 3.98Å; K249-Y356 HydrophobicContact CG-CD2 4.15Å; K249-Y356 HydrophobicContact CG-CE1 4.16Å; K249-Y356 HydrophobicContact CG-CE2 4.34Å; K249-Y356 HydrophobicContact CG-CG 3.96Å; A333-Y356 PolarHBondContact N-O 3.44Å; A333-Y356 CarbonylContact O-C 3.56Å; A333-Y356 WeakPolarHBondContact O-CA 3.26Å; A333-Y356 PolarHBondContact O-N 2.87Å; Y356-Y361 HydrophobicContact CD1-CD2 4.36Å; Y356-Y361 HydrophobicContact CD1-CG 4.19Å; Y356-Y361 HydrophobicContact CE1-CD2 4.44Å; Y356-M367 HydrophobicContact CD1-CE 4.07Å |
| 357 | G | 87.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 103.5 | 165.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K249 K331 M359 N360 Y361 | K249-G357 PolarHBondContact O-N 2.86Å; K331-G357 CarbonylContact O-C 3.32Å; K331-G357 WeakPolarHBondContact O-CA 3.34Å; G357-M359 PolarHBondContact O-N 3.19Å; G357-M359 VanDerWaalsContact O-N 3.16Å; G357-N360 PolarHBondContact O-N 3.09Å; G357-Y361 PolarHBondContact O-N 2.85Å; G357-Y361 VanDerWaalsContact O-N 3.1Å |
| 358 | S | 88 | Confident | 85.9 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.6 | -178.8 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | W94 A97 L330 K331 | W94-S358 WeakPolarHBondContact CA-O 3.46Å; A97-S358 WeakPolarHBondContact CB-OG 3.4Å; L330-S358 PolarHBondContact O-N 3.03Å; L330-S358 PolarHBondContact O-OG 2.82Å; K331-S358 WeakPolarHBondContact CA-OG 3.33Å; K331-S358 PolarHBondContact O-N 3.26Å |
| 359 | M | 88.1 | Confident | 86.4 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.064 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -41.3 | 179.1 | -170.3 | 142.1 | 175.8 | 0 | 0 | 114 | A97 H98 H268 K331 E332 G357 | A97-M359 HydrophobicContact CB-CB 4.1Å; H98-M359 WeakPolarHBondContact CE1-CE 3.43Å; H98-M359 WeakPolarHBondContact NE2-CE 3.38Å; H268-M359 HydrophobicContact CB-CE 3.37Å; H268-M359 WeakPolarHBondContact CD2-CE 3.5Å; K331-M359 VanDerWaalsContact O-CB 3.27Å; K331-M359 WeakPolarHBondContact O-CB 3.47Å; K331-M359 PolarHBondContact O-N 2.75Å; E332-M359 HydrophobicContact CG-CB 4.4Å; G357-M359 PolarHBondContact O-N 3.19Å; G357-M359 VanDerWaalsContact O-N 3.16Å |
| 360 | N | 86.4 | Confident | 86.9 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -17.8 | -171.6 | -63.3 | -24 | 0 | 0 | 0 | 113.5 | C354 G357 | C354-N360 PolarHBondContact O-ND2 3.22Å; G357-N360 PolarHBondContact O-N 3.09Å |
| 361 | Y | 87.4 | Confident | 87.4 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 13% | 0.129 | 24% | 0.243 | C | C | . | . | trans | -113.4 | 108.4 | -179.2 | -169.8 | -115.1 | 0 | 0 | 0 | 111.8 | K181 Y356 G357 Q363 V364 M367 | K181-Y361 WeakPolarHBondContact CE-OH 3.07Å; K181-Y361 PolarHBondContact NZ-OH 3.22Å; K181-Y361 VanDerWaalsContact NZ-OH 3.1Å; Y356-Y361 HydrophobicContact CD1-CD2 4.36Å; Y356-Y361 HydrophobicContact CD1-CG 4.19Å; Y356-Y361 HydrophobicContact CE1-CD2 4.44Å; G357-Y361 PolarHBondContact O-N 2.85Å; G357-Y361 VanDerWaalsContact O-N 3.1Å; Y361-Q363 VanDerWaalsContact C-N 3.28Å; Y361-Q363 HydrophobicContact CD1-CB 4.26Å; Y361-Q363 HydrophobicContact CE1-CB 3.55Å; Y361-Q363 WeakPolarHBondContact CE1-O 3.22Å; Y361-Q363 HydrophobicContact CE2-CB 4.39Å; Y361-Q363 PolarHBondContact O-N 3.23Å; Y361-Q363 PolarHBondContact OH-OE1 3.08Å; Y361-V364 HydrophobicContact CD1-CG2 4.38Å; Y361-V364 WeakPolarHBondContact O-CG2 3.49Å; Y361-M367 HydrophobicContact CD1-CE 3.63Å; Y361-M367 HydrophobicContact CE1-CE 3.75Å | ||
| 362 | F | 86.8 | Confident | 87.9 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.4 | -176.4 | -63.1 | -39.6 | 0 | 0 | 0 | 114.6 | L90 R91 W94 E173 V364 | L90-F362 WeakPolarHBondContact O-CB 3.33Å; R91-F362 VanDerWaalsContact NH1-CG 3.26Å; W94-F362 HydrophobicContact CB-CD1 4.16Å; W94-F362 HydrophobicContact CB-CE1 4.29Å; W94-F362 AromaticContact CD1-CE1 3.55Å; W94-F362 HydrophobicContact CD2-CE1 4.32Å; W94-F362 HydrophobicContact CG-CD1 4.16Å; W94-F362 AromaticContact CG-CE1 3.79Å; W94-F362 HydrophobicContact CG-CE1 3.79Å; W94-F362 AromaticContact NE1-CE1 3.9Å; E173-F362 VanDerWaalsContact OE1-CD2 3.28Å; E173-F362 WeakPolarHBondContact OE1-CD2 3.33Å; F362-V364 VanDerWaalsContact C-N 3.29Å; F362-V364 PolarHBondContact O-N 3.45Å |
| 363 | Q | 87.7 | Confident | 88.6 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 33.3 | -179.2 | -67.6 | -178.7 | -24.5 | 0 | 0 | 113.4 | L90 E177 Y361 M365 E366 M367 | L90-Q363 HydrophobicContact CD2-CG 4.33Å; E177-Q363 HydrophobicContact CG-CG 4.3Å; E177-Q363 VanDerWaalsContact CG-NE2 3.29Å; Y361-Q363 VanDerWaalsContact C-N 3.28Å; Y361-Q363 HydrophobicContact CD1-CB 4.26Å; Y361-Q363 HydrophobicContact CE1-CB 3.55Å; Y361-Q363 WeakPolarHBondContact CE1-O 3.22Å; Y361-Q363 HydrophobicContact CE2-CB 4.39Å; Y361-Q363 PolarHBondContact O-N 3.23Å; Y361-Q363 PolarHBondContact OH-OE1 3.08Å; Q363-M365 VanDerWaalsContact C-N 3.26Å; Q363-M365 PolarHBondContact O-N 3.29Å; Q363-E366 HydrophobicContact CB-CB 4.26Å; Q363-E366 WeakPolarHBondContact O-CB 3.45Å; Q363-E366 PolarHBondContact O-N 3.46Å; Q363-E366 VanDerWaalsContact O-N 3.1Å; Q363-E366 PolarHBondContact OE1-OE2 3Å; Q363-M367 PolarHBondContact O-N 3.38Å |
| 364 | V | 89.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.4 | -37.1 | 178.2 | 169.3 | 0 | 0 | 0 | 0 | 112.6 | A93 T325 C329 Y361 F362 E366 M367 Q368 | A93-V364 HydrophobicContact CB-CB 3.85Å; A93-V364 HydrophobicContact CB-CG1 4.01Å; A93-V364 HydrophobicContact CB-CG2 4.38Å; T325-V364 HydrophobicContact CG2-CG1 4.45Å; C329-V364 HydrophobicContact CB-CG1 4.43Å; Y361-V364 HydrophobicContact CD1-CG2 4.38Å; Y361-V364 WeakPolarHBondContact O-CG2 3.49Å; F362-V364 VanDerWaalsContact C-N 3.29Å; F362-V364 PolarHBondContact O-N 3.45Å; V364-E366 VanDerWaalsContact C-N 3.3Å; V364-E366 PolarHBondContact O-N 3.21Å; V364-M367 WeakPolarHBondContact O-CB 3.4Å; V364-M367 PolarHBondContact O-N 3.37Å; V364-Q368 HydrophobicContact CG1-CG 4.36Å; V364-Q368 VanDerWaalsContact CG1-NE2 3.27Å; V364-Q368 WeakPolarHBondContact O-CG 3.38Å; V364-Q368 PolarHBondContact O-N 3.43Å |
| 365 | M | 90.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -31.2 | 178.5 | -69.8 | -170.1 | 72.6 | 0 | 0 | 113 | Y89 F234 Q363 S369 | Y89-M365 HydrophobicContact CD1-CB 4.42Å; Y89-M365 HydrophobicContact CD1-CE 4.2Å; Y89-M365 HydrophobicContact CD1-SD 4.15Å; Y89-M365 HydrophobicContact CE1-CE 4.39Å; F234-M365 HydrophobicContact CD1-CE 3.84Å; F234-M365 HydrophobicContact CD2-CB 4.05Å; F234-M365 HydrophobicContact CD2-CE 3.67Å; F234-M365 HydrophobicContact CD2-CG 4.21Å; F234-M365 HydrophobicContact CE1-CE 3.89Å; F234-M365 HydrophobicContact CE2-CB 4.07Å; F234-M365 HydrophobicContact CE2-CE 3.69Å; F234-M365 HydrophobicContact CE2-CG 3.8Å; F234-M365 HydrophobicContact CG-CE 3.74Å; F234-M365 HydrophobicContact CZ-CE 3.82Å; F234-M365 HydrophobicContact CZ-CG 4.45Å; Q363-M365 VanDerWaalsContact C-N 3.26Å; Q363-M365 PolarHBondContact O-N 3.29Å; M365-S369 PolarHBondContact O-N 3.15Å |
| 366 | E | 90.6 | Very high | 89.8 | Confident | 25 Ų | 25 | 34.5 Ų | 34.5 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 172.3 | -179.9 | -173.4 | 147.8 | 0 | 0 | 110 | K181 Q363 V364 Q368 S369 P372 V375 | K181-E366 IonicContact NZ-OE1 2.82Å; K181-E366 PolarHBondContact NZ-OE1 2.82Å; K181-E366 IonicContact NZ-OE2 2.69Å; K181-E366 PolarHBondContact NZ-OE2 2.99Å; Q363-E366 HydrophobicContact CB-CB 4.26Å; Q363-E366 WeakPolarHBondContact O-CB 3.45Å; Q363-E366 PolarHBondContact O-N 3.46Å; Q363-E366 VanDerWaalsContact O-N 3.1Å; Q363-E366 PolarHBondContact OE1-OE2 3Å; V364-E366 VanDerWaalsContact C-N 3.3Å; V364-E366 PolarHBondContact O-N 3.21Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.29Å; E366-S369 PolarHBondContact O-N 2.95Å; E366-S369 PolarHBondContact O-OG 3.44Å; E366-P372 HydrophobicContact CG-CB 3.71Å; E366-V375 HydrophobicContact CB-CB 4.46Å; E366-V375 HydrophobicContact CB-CG1 4.23Å |
| 367 | M | 88.5 | Confident | 90 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -35.4 | 178.5 | -171.1 | -170.8 | -59.3 | 0 | 0 | 113.2 | L246 K249 L251 Y356 Y361 Q363 V364 S369 | L246-M367 HydrophobicContact CD2-CG 3.7Å; K249-M367 HydrophobicContact CB-CE 3.77Å; K249-M367 HydrophobicContact CB-SD 3.7Å; K249-M367 HydrophobicContact CD-CE 3.95Å; K249-M367 HydrophobicContact CD-SD 4.44Å; K249-M367 HydrophobicContact CG-CE 4.42Å; L251-M367 HydrophobicContact CB-SD 4.41Å; L251-M367 HydrophobicContact CD2-CG 4.46Å; Y356-M367 HydrophobicContact CD1-CE 4.07Å; Y361-M367 HydrophobicContact CD1-CE 3.63Å; Y361-M367 HydrophobicContact CE1-CE 3.75Å; Q363-M367 PolarHBondContact O-N 3.38Å; V364-M367 WeakPolarHBondContact O-CB 3.4Å; V364-M367 PolarHBondContact O-N 3.37Å; M367-S369 VanDerWaalsContact C-N 3.32Å |
| 368 | Q | 90 | Very high | 90.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.2 | -25.5 | 179.5 | -76.8 | -178.2 | 29.5 | 0 | 0 | 113.5 | F234 G237 T238 K242 L251 C329 V364 E366 | F234-Q368 HydrophobicContact CD2-CB 4.08Å; F234-Q368 HydrophobicContact CE2-CB 3.83Å; F234-Q368 HydrophobicContact CE2-CG 4.4Å; F234-Q368 VanDerWaalsContact CZ-OE1 3.26Å; G237-Q368 CarbonylContact C-O 3.6Å; G237-Q368 WeakPolarHBondContact CA-O 3.39Å; T238-Q368 HydrophobicContact CG2-CB 4.29Å; K242-Q368 PolarHBondContact NZ-O 3.04Å; L251-Q368 HydrophobicContact CD1-CG 3.63Å; C329-Q368 PolarHBondContact SG-NE2 2.94Å; V364-Q368 HydrophobicContact CG1-CG 4.36Å; V364-Q368 VanDerWaalsContact CG1-NE2 3.27Å; V364-Q368 WeakPolarHBondContact O-CG 3.38Å; V364-Q368 PolarHBondContact O-N 3.43Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.29Å |
| 369 | S | 91.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -72.1 | 161.7 | -169.6 | 75.1 | 0 | 0 | 0 | 0 | 114.6 | M365 E366 M367 P372 V375 | M365-S369 PolarHBondContact O-N 3.15Å; E366-S369 PolarHBondContact O-N 2.95Å; E366-S369 PolarHBondContact O-OG 3.44Å; M367-S369 VanDerWaalsContact C-N 3.32Å; S369-P372 WeakPolarHBondContact OG-CA 3.1Å; S369-V375 WeakPolarHBondContact OG-CG2 3.44Å |
| 370 | L | 91.9 | Very high | 90.7 | Very high | 98 Ų | 98 | 35 Ų | 35 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -71.6 | -45.8 | 176.3 | 172 | 64.2 | 0 | 0 | 0 | 111.2 | N233 I236 V240 | N233-L370 PolarHBondContact O-N 3.24Å; N233-L370 WeakPolarHBondContact OD1-CB 3.24Å; I236-L370 HydrophobicContact CG2-CD2 4.01Å; V240-L370 HydrophobicContact CG2-CD1 4.26Å |
| 371 | F | 92.4 | Very high | 90.9 | Very high | 122 Ų | 122 | 31.9 Ų | 31.9 | 54% | 0.535 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -122.7 | 99 | 175.9 | -174.3 | -119.3 | 0 | 0 | 0 | 110.4 | N233 P373 L374 | N233-F371 PolarHBondContact ND2-O 2.86Å; N233-F371 PolarHBondContact OD1-N 3.48Å; F371-P373 VanDerWaalsContact C-CD 3.48Å; F371-P373 HydrophobicContact CD1-CB 4.46Å; F371-P373 HydrophobicContact CD2-CG 4.48Å; F371-P373 HydrophobicContact CE1-CB 3.82Å; F371-P373 HydrophobicContact CE1-CG 4.02Å; F371-P373 HydrophobicContact CE2-CG 3.92Å; F371-P373 HydrophobicContact CZ-CB 3.89Å; F371-P373 HydrophobicContact CZ-CG 3.66Å; F371-L374 HydrophobicContact CD1-CB 3.65Å; F371-L374 HydrophobicContact CE1-CB 4.36Å; F371-L374 PolarHBondContact O-N 3.31Å; F371-L374 VanDerWaalsContact O-N 3.17Å |
| 372 | P | 89.8 | Confident | 91.1 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -51.4 | -45 | -175.5 | -29.7 | 36 | 0 | 0 | 0 | 115.6 | E366 S369 L374 V375 T376 | E366-P372 HydrophobicContact CG-CB 3.71Å; S369-P372 WeakPolarHBondContact OG-CA 3.1Å; P372-L374 PolarHBondContact O-N 2.97Å; P372-L374 VanDerWaalsContact O-N 3.12Å; P372-V375 PolarHBondContact O-N 3.14Å; P372-T376 PolarHBondContact O-N 3.35Å; P372-T376 PolarHBondContact O-OG1 3.15Å |
| 373 | P | 91.9 | Very high | 91.4 | Very high | 69 Ų | 69 | 27.2 Ų | 27.2 | 45% | 0.448 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.8 | -26.4 | -178 | -24.6 | 36 | 0 | 0 | 0 | 114.2 | F371 T376 A377 | F371-P373 VanDerWaalsContact C-CD 3.48Å; F371-P373 HydrophobicContact CD1-CB 4.46Å; F371-P373 HydrophobicContact CD2-CG 4.48Å; F371-P373 HydrophobicContact CE1-CB 3.82Å; F371-P373 HydrophobicContact CE1-CG 4.02Å; F371-P373 HydrophobicContact CE2-CG 3.92Å; F371-P373 HydrophobicContact CZ-CB 3.89Å; F371-P373 HydrophobicContact CZ-CG 3.66Å; P373-T376 PolarHBondContact O-N 2.9Å; P373-A377 WeakPolarHBondContact O-CB 3.04Å; P373-A377 PolarHBondContact O-N 3.2Å |
| 374 | L | 93.4 | Very high | 91.5 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 26% | 0.257 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -73.1 | -29.7 | 176.1 | 177.2 | 63.6 | 0 | 0 | 0 | 112.1 | A229 N233 F371 P372 G378 | A229-L374 HydrophobicContact CB-CD1 4.49Å; A229-L374 HydrophobicContact CB-CD2 4.42Å; N233-L374 HydrophobicContact CB-CD2 3.7Å; N233-L374 HydrophobicContact CB-CG 4.39Å; F371-L374 HydrophobicContact CD1-CB 3.65Å; F371-L374 HydrophobicContact CE1-CB 4.36Å; F371-L374 PolarHBondContact O-N 3.31Å; F371-L374 VanDerWaalsContact O-N 3.17Å; P372-L374 PolarHBondContact O-N 2.97Å; P372-L374 VanDerWaalsContact O-N 3.12Å; L374-G378 PolarHBondContact O-N 3.41Å |
| 375 | V | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.9 | -45 | 170.3 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | Y89 S230 E366 S369 P372 A377 G378 I379 | Y89-V375 HydrophobicContact CD1-CG1 3.78Å; Y89-V375 HydrophobicContact CE1-CG1 3.9Å; S230-V375 WeakPolarHBondContact OG-CA 3.35Å; E366-V375 HydrophobicContact CB-CB 4.46Å; E366-V375 HydrophobicContact CB-CG1 4.23Å; S369-V375 WeakPolarHBondContact OG-CG2 3.44Å; P372-V375 PolarHBondContact O-N 3.14Å; V375-A377 VanDerWaalsContact C-N 3.32Å; V375-A377 PolarHBondContact O-N 3.29Å; V375-G378 CarbonylContact O-C 3.57Å; V375-G378 WeakPolarHBondContact O-CA 3.06Å; V375-G378 PolarHBondContact O-N 3.04Å; V375-I379 HydrophobicContact CG1-CD1 4.28Å; V375-I379 HydrophobicContact CG1-CG1 4.49Å; V375-I379 WeakPolarHBondContact O-CG1 3.22Å; V375-I379 PolarHBondContact O-N 3.4Å |
| 376 | T | 92.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.4 | -44 | 174 | -43.9 | 0 | 0 | 0 | 0 | 111.8 | V178 P372 P373 G378 I379 F380 | V178-T376 HydrophobicContact CG2-CG2 3.75Å; P372-T376 PolarHBondContact O-N 3.35Å; P372-T376 PolarHBondContact O-OG1 3.15Å; P373-T376 PolarHBondContact O-N 2.9Å; T376-G378 VanDerWaalsContact C-N 3.29Å; T376-G378 PolarHBondContact O-N 3.3Å; T376-I379 WeakPolarHBondContact O-CB 3.26Å; T376-I379 PolarHBondContact O-N 2.63Å; T376-F380 HydrophobicContact CG2-CE1 4.19Å; T376-F380 HydrophobicContact CG2-CE2 4.08Å; T376-F380 HydrophobicContact CG2-CZ 3.81Å; T376-F380 WeakPolarHBondContact O-CG 3.03Å; T376-F380 PolarHBondContact O-N 3.16Å |
| 377 | A | 92.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 27.9 Ų | 27.9 | 31% | 0.306 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I226 P373 V375 F380 A381 | I226-A377 HydrophobicContact CG2-CB 4.2Å; P373-A377 WeakPolarHBondContact O-CB 3.04Å; P373-A377 PolarHBondContact O-N 3.2Å; V375-A377 VanDerWaalsContact C-N 3.32Å; V375-A377 PolarHBondContact O-N 3.29Å; A377-F380 PolarHBondContact O-N 3.22Å; A377-A381 WeakPolarHBondContact O-CB 2.86Å; A377-A381 PolarHBondContact O-N 3.41Å |
| 378 | G | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L374 V375 T376 A381 A382 | L374-G378 PolarHBondContact O-N 3.41Å; V375-G378 CarbonylContact O-C 3.57Å; V375-G378 WeakPolarHBondContact O-CA 3.06Å; V375-G378 PolarHBondContact O-N 3.04Å; T376-G378 VanDerWaalsContact C-N 3.29Å; T376-G378 PolarHBondContact O-N 3.3Å; G378-A381 PolarHBondContact O-N 3.38Å; G378-A382 WeakPolarHBondContact O-CB 2.93Å; G378-A382 PolarHBondContact O-N 2.96Å |
| 379 | I | 92.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.5 | -64.5 | 168.6 | 0 | 0 | 0 | 110 | Y89 L90 V375 T376 A382 S383 | Y89-I379 VanDerWaalsContact CB-CG1 3.5Å; Y89-I379 HydrophobicContact CD1-CG1 3.94Å; Y89-I379 HydrophobicContact CD2-CG1 3.94Å; Y89-I379 HydrophobicContact CG-CD1 4.35Å; Y89-I379 HydrophobicContact CG-CG1 3.53Å; L90-I379 HydrophobicContact CD2-CD1 4.21Å; V375-I379 HydrophobicContact CG1-CD1 4.28Å; V375-I379 HydrophobicContact CG1-CG1 4.49Å; V375-I379 WeakPolarHBondContact O-CG1 3.22Å; V375-I379 PolarHBondContact O-N 3.4Å; T376-I379 WeakPolarHBondContact O-CB 3.26Å; T376-I379 PolarHBondContact O-N 2.63Å; I379-A382 PolarHBondContact O-N 3.27Å; I379-S383 VanDerWaalsContact O-CB 3.32Å; I379-S383 WeakPolarHBondContact O-CB 2.96Å; I379-S383 PolarHBondContact O-N 2.89Å; I379-S383 PolarHBondContact O-OG 2.94Å |
| 380 | F | 92.9 | Very high | 91.4 | Very high | 58 Ų | 58 | 27.9 Ų | 27.9 | 25% | 0.254 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | 176.5 | -64.5 | -11.8 | 0 | 0 | 0 | 111.7 | F171 V175 T376 A377 S383 L384 | F171-F380 HydrophobicContact CD2-CB 4.31Å; F171-F380 AromaticContact CD2-CD1 3.56Å; F171-F380 HydrophobicContact CD2-CD1 3.56Å; F171-F380 HydrophobicContact CD2-CE1 4.13Å; F171-F380 HydrophobicContact CD2-CG 4.1Å; F171-F380 HydrophobicContact CE2-CB 4.01Å; F171-F380 AromaticContact CE2-CD1 3.45Å; F171-F380 HydrophobicContact CE2-CD1 3.45Å; F171-F380 VanDerWaalsContact CE2-CD1 3.45Å; F171-F380 HydrophobicContact CE2-CD2 4.27Å; F171-F380 AromaticContact CE2-CE1 3.91Å; F171-F380 HydrophobicContact CE2-CE1 3.91Å; F171-F380 AromaticContact CE2-CG 3.66Å; F171-F380 HydrophobicContact CE2-CG 3.66Å; F171-F380 HydrophobicContact CE2-CZ 4.49Å; V175-F380 HydrophobicContact CG2-CE1 3.78Å; V175-F380 HydrophobicContact CG2-CZ 3.85Å; T376-F380 HydrophobicContact CG2-CE1 4.19Å; T376-F380 HydrophobicContact CG2-CE2 4.08Å; T376-F380 HydrophobicContact CG2-CZ 3.81Å; T376-F380 WeakPolarHBondContact O-CG 3.03Å; T376-F380 PolarHBondContact O-N 3.16Å; A377-F380 PolarHBondContact O-N 3.22Å; F380-S383 WeakPolarHBondContact CA-OG 3.22Å; F380-S383 PolarHBondContact O-OG 3.41Å; F380-L384 VanDerWaalsContact O-CB 3.29Å; F380-L384 WeakPolarHBondContact O-CB 3.48Å; F380-L384 VanDerWaalsContact O-CG 3.3Å; F380-L384 WeakPolarHBondContact O-CG 3.44Å; F380-L384 PolarHBondContact O-N 3.36Å |
| 381 | A | 91.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L223 I226 A377 G378 S385 | L223-A381 HydrophobicContact CB-CB 4.33Å; L223-A381 HydrophobicContact CD2-CB 3.88Å; I226-A381 HydrophobicContact CB-CB 4.23Å; I226-A381 HydrophobicContact CG2-CB 3.98Å; A377-A381 WeakPolarHBondContact O-CB 2.86Å; A377-A381 PolarHBondContact O-N 3.41Å; G378-A381 PolarHBondContact O-N 3.38Å; A381-S385 WeakPolarHBondContact O-CB 3.5Å; A381-S385 PolarHBondContact O-N 3.14Å |
| 382 | A | 91.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y89 L227 G378 I379 S386 | Y89-A382 HydrophobicContact CE2-CB 4.24Å; L227-A382 HydrophobicContact CD1-CB 3.96Å; G378-A382 WeakPolarHBondContact O-CB 2.93Å; G378-A382 PolarHBondContact O-N 2.96Å; I379-A382 PolarHBondContact O-N 3.27Å; A382-S386 WeakPolarHBondContact O-CB 3.5Å; A382-S386 PolarHBondContact O-N 3.02Å; A382-S386 VanDerWaalsContact O-N 3.12Å; A382-S386 PolarHBondContact O-OG 3.46Å |
| 383 | S | 92.6 | Very high | 91 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.3 | -54.3 | -179.2 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | Y167 I379 F380 S385 S386 A387 | Y167-S383 WeakPolarHBondContact O-CB 3.35Å; I379-S383 VanDerWaalsContact O-CB 3.32Å; I379-S383 WeakPolarHBondContact O-CB 2.96Å; I379-S383 PolarHBondContact O-N 2.89Å; I379-S383 PolarHBondContact O-OG 2.94Å; F380-S383 WeakPolarHBondContact CA-OG 3.22Å; F380-S383 PolarHBondContact O-OG 3.41Å; S383-S385 PolarHBondContact O-N 2.94Å; S383-S386 PolarHBondContact O-N 3.27Å; S383-A387 VanDerWaalsContact O-CB 3.27Å; S383-A387 WeakPolarHBondContact O-CB 3.47Å; S383-A387 PolarHBondContact O-N 3.37Å |
| 384 | L | 90.3 | Very high | 91 | Very high | 51 Ų | 51 | 12.4 Ų | 12.4 | 27% | 0.267 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -66.7 | -37.9 | -177.9 | -64.8 | 173.6 | 0 | 0 | 0 | 112 | F171 T201 L205 F380 L388 | F171-L384 HydrophobicContact CD1-CD2 4.42Å; F171-L384 HydrophobicContact CD2-CD1 4.26Å; F171-L384 HydrophobicContact CD2-CD2 4.12Å; F171-L384 HydrophobicContact CD2-CG 3.99Å; F171-L384 HydrophobicContact CE2-CD1 3.89Å; F171-L384 HydrophobicContact CE2-CD2 4.3Å; F171-L384 HydrophobicContact CE2-CG 4.12Å; F171-L384 HydrophobicContact CG-CD2 4.18Å; F171-L384 HydrophobicContact CZ-CD1 4.39Å; T201-L384 HydrophobicContact CG2-CD2 3.69Å; L205-L384 HydrophobicContact CD1-CD2 4.41Å; L205-L384 HydrophobicContact CD2-CD2 4.33Å; F380-L384 VanDerWaalsContact O-CB 3.29Å; F380-L384 WeakPolarHBondContact O-CB 3.48Å; F380-L384 VanDerWaalsContact O-CG 3.3Å; F380-L384 WeakPolarHBondContact O-CG 3.44Å; F380-L384 PolarHBondContact O-N 3.36Å; L384-L388 WeakPolarHBondContact O-CB 3.35Å; L384-L388 PolarHBondContact O-N 2.99Å |
| 385 | S | 88.9 | Confident | 90.9 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.6 | -52.4 | 173.6 | 167.4 | 0 | 0 | 0 | 0 | 111.8 | A381 S383 L388 S389 | A381-S385 WeakPolarHBondContact O-CB 3.5Å; A381-S385 PolarHBondContact O-N 3.14Å; S383-S385 PolarHBondContact O-N 2.94Å; S385-L388 PolarHBondContact O-N 2.62Å; S385-S389 WeakPolarHBondContact O-CB 3.44Å; S385-S389 PolarHBondContact O-N 3.42Å |
| 386 | S | 90.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.4 | -37.6 | -176 | -59 | 0 | 0 | 0 | 0 | 111.9 | L81 Y167 A382 S383 S390 | L81-S386 PolarHBondContact O-OG 3.28Å; Y167-S386 VanDerWaalsContact CD2-C 3.49Å; A382-S386 WeakPolarHBondContact O-CB 3.5Å; A382-S386 PolarHBondContact O-N 3.02Å; A382-S386 VanDerWaalsContact O-N 3.12Å; A382-S386 PolarHBondContact O-OG 3.46Å; S383-S386 PolarHBondContact O-N 3.27Å; S386-S390 WeakPolarHBondContact O-CB 3.46Å; S386-S390 PolarHBondContact O-N 2.91Å; S386-S390 PolarHBondContact O-OG 3.44Å |
| 387 | A | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V168 L205 S383 S389 S390 M391 | V168-A387 HydrophobicContact CG2-CB 3.83Å; L205-A387 HydrophobicContact CD1-CB 3.65Å; S383-A387 VanDerWaalsContact O-CB 3.27Å; S383-A387 WeakPolarHBondContact O-CB 3.47Å; S383-A387 PolarHBondContact O-N 3.37Å; A387-S389 PolarHBondContact O-N 3.13Å; A387-S390 PolarHBondContact O-N 2.99Å; A387-M391 VanDerWaalsContact O-CB 3.22Å; A387-M391 WeakPolarHBondContact O-CB 3.37Å; A387-M391 PolarHBondContact O-N 3.46Å |
| 388 | L | 88.6 | Confident | 90.6 | Very high | 15 Ų | 15 | 12.6 Ų | 12.6 | 8% | 0.079 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 179.9 | -169.5 | 72.4 | 0 | 0 | 0 | 111.6 | L205 I208 V209 E216 L384 S385 S390 M391 V392 | L205-L388 HydrophobicContact CD2-CD1 4.12Å; I208-L388 HydrophobicContact CG2-CD1 4.06Å; V209-L388 HydrophobicContact CG2-CD1 3.44Å; V209-L388 VanDerWaalsContact CG2-CD1 3.44Å; V209-L388 HydrophobicContact CG2-CG 4.46Å; E216-L388 HydrophobicContact CB-CD2 4.07Å; E216-L388 HydrophobicContact CG-CD2 3.72Å; E216-L388 HydrophobicContact CG-CG 4.06Å; L384-L388 WeakPolarHBondContact O-CB 3.35Å; L384-L388 PolarHBondContact O-N 2.99Å; S385-L388 PolarHBondContact O-N 2.62Å; L388-S390 PolarHBondContact O-N 2.7Å; L388-M391 PolarHBondContact O-N 3.48Å; L388-V392 WeakPolarHBondContact O-CG2 3.19Å; L388-V392 PolarHBondContact O-N 3.34Å |
| 389 | S | 87.3 | Confident | 90.6 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | C82 S385 A387 V392 S393 | C82-S389 PolarHBondContact SG-OG 3.45Å; S385-S389 WeakPolarHBondContact O-CB 3.44Å; S385-S389 PolarHBondContact O-N 3.42Å; A387-S389 PolarHBondContact O-N 3.13Å; S389-V392 PolarHBondContact O-N 2.64Å; S389-S393 VanDerWaalsContact O-CB 3.26Å; S389-S393 WeakPolarHBondContact O-CB 2.73Å; S389-S393 PolarHBondContact O-N 3.2Å; S389-S393 PolarHBondContact O-OG 3.43Å |
| 390 | S | 90.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 14.5 Ų | 14.5 | 7% | 0.07 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.6 | -37.4 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | Y167 S386 A387 L388 V392 S393 A394 | Y167-S390 WeakPolarHBondContact CE2-OG 3.14Å; S386-S390 WeakPolarHBondContact O-CB 3.46Å; S386-S390 PolarHBondContact O-N 2.91Å; S386-S390 PolarHBondContact O-OG 3.44Å; A387-S390 PolarHBondContact O-N 2.99Å; L388-S390 PolarHBondContact O-N 2.7Å; S390-V392 VanDerWaalsContact C-N 3.3Å; S390-V392 PolarHBondContact O-N 2.84Å; S390-S393 PolarHBondContact O-N 2.84Å; S390-A394 PolarHBondContact O-N 3.16Å |
| 391 | M | 90.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.7 | -27.2 | 178 | -166.2 | 166 | -160.4 | 0 | 0 | 112.9 | V164 L205 L206 V209 A387 L388 P395 Y427 F431 | V164-M391 HydrophobicContact CG2-CB 3.92Å; L205-M391 HydrophobicContact CB-SD 3.7Å; L206-M391 HydrophobicContact CB-CE 3.45Å; L206-M391 VanDerWaalsContact CB-CE 3.45Å; L206-M391 HydrophobicContact CD1-CE 3.67Å; L206-M391 HydrophobicContact CG-CE 4.13Å; V209-M391 HydrophobicContact CG2-CB 4.42Å; V209-M391 HydrophobicContact CG2-CG 4.2Å; V209-M391 HydrophobicContact CG2-SD 4.32Å; A387-M391 VanDerWaalsContact O-CB 3.22Å; A387-M391 WeakPolarHBondContact O-CB 3.37Å; A387-M391 PolarHBondContact O-N 3.46Å; L388-M391 PolarHBondContact O-N 3.48Å; M391-P395 WeakPolarHBondContact O-CD 3.38Å; M391-P395 VanDerWaalsContact O-CG 3.28Å; M391-P395 WeakPolarHBondContact O-CG 3.33Å; M391-Y427 WeakPolarHBondContact O-CE1 3.43Å; M391-F431 HydrophobicContact CE-CB 4.37Å; M391-F431 HydrophobicContact CE-CD2 4.14Å |
| 392 | V | 87.7 | Confident | 90.3 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.018 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -82.5 | -39.6 | 170.3 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | V209 V213 L388 S389 S390 K396 | V209-V392 HydrophobicContact CG1-CG2 3.84Å; V209-V392 HydrophobicContact CG2-CG2 3.91Å; V213-V392 HydrophobicContact CG1-CG1 4.25Å; V213-V392 HydrophobicContact CG2-CG1 4.37Å; L388-V392 WeakPolarHBondContact O-CG2 3.19Å; L388-V392 PolarHBondContact O-N 3.34Å; S389-V392 PolarHBondContact O-N 2.64Å; S390-V392 VanDerWaalsContact C-N 3.3Å; S390-V392 PolarHBondContact O-N 2.84Å; V392-K396 HydrophobicContact CG1-CD 3.84Å; V392-K396 WeakPolarHBondContact O-CG 3.47Å; V392-K396 PolarHBondContact O-N 3.28Å |
| 393 | S | 87.9 | Confident | 90.1 | Very high | 8 Ų | 8 | 16 Ų | 16 | 6% | 0.056 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.3 | -48.1 | -174 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | N291 S389 S390 K396 I397 | N291-S393 PolarHBondContact ND2-OG 3.06Å; S389-S393 VanDerWaalsContact O-CB 3.26Å; S389-S393 WeakPolarHBondContact O-CB 2.73Å; S389-S393 PolarHBondContact O-N 3.2Å; S389-S393 PolarHBondContact O-OG 3.43Å; S390-S393 PolarHBondContact O-N 2.84Å; S393-K396 PolarHBondContact O-N 2.95Å; S393-I397 VanDerWaalsContact O-CD1 3.3Å; S393-I397 WeakPolarHBondContact O-CD1 3.42Å; S393-I397 VanDerWaalsContact O-CG1 3.27Å; S393-I397 WeakPolarHBondContact O-CG1 3.48Å; S393-I397 PolarHBondContact O-N 3.29Å |
| 394 | A | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.1 | -54.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S157 N160 A161 S390 K396 I397 F398 T430 | S157-A394 WeakPolarHBondContact O-CB 3.3Å; S157-A394 PolarHBondContact OG-O 3.29Å; S157-A394 VanDerWaalsContact OG-O 3.1Å; N160-A394 HydrophobicContact CB-CB 3.69Å; A161-A394 HydrophobicContact CB-CB 4.24Å; S390-A394 PolarHBondContact O-N 3.16Å; A394-K396 VanDerWaalsContact C-N 3.34Å; A394-K396 PolarHBondContact O-N 3.46Å; A394-I397 PolarHBondContact O-N 2.92Å; A394-F398 WeakPolarHBondContact O-CB 3.16Å; A394-F398 PolarHBondContact O-N 3.38Å; A394-T430 HydrophobicContact CB-CG2 3.98Å |
| 395 | P | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 179.5 | -28.9 | 39.4 | 0 | 0 | 0 | 114 | M391 F398 Q399 P423 A426 Y427 T430 | M391-P395 WeakPolarHBondContact O-CD 3.38Å; M391-P395 VanDerWaalsContact O-CG 3.28Å; M391-P395 WeakPolarHBondContact O-CG 3.33Å; P395-F398 PolarHBondContact O-N 3.23Å; P395-Q399 VanDerWaalsContact O-CB 3.23Å; P395-Q399 WeakPolarHBondContact O-CB 3.33Å; P395-Q399 PolarHBondContact O-N 3.49Å; P395-P423 HydrophobicContact CB-CG 3.94Å; P395-A426 HydrophobicContact CB-CB 3.83Å; P395-Y427 HydrophobicContact CB-CD1 3.81Å; P395-Y427 HydrophobicContact CB-CE1 3.79Å; P395-Y427 HydrophobicContact CB-CG 4.18Å; P395-Y427 HydrophobicContact CG-CD1 3.42Å; P395-Y427 VanDerWaalsContact CG-CD1 3.42Å; P395-Y427 HydrophobicContact CG-CE1 3.62Å; P395-Y427 HydrophobicContact CG-CG 4.13Å; P395-T430 HydrophobicContact CG-CG2 4.29Å; P395-T430 WeakPolarHBondContact CG-OG1 3.44Å |
| 396 | K | 88.2 | Confident | 89.4 | Confident | 76 Ų | 76 | 20.1 Ų | 20.1 | 33% | 0.33 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -69.4 | -41.1 | 179.4 | -74.4 | -177.3 | 176.3 | -179.2 | 0 | 112.2 | V392 S393 A394 F398 Q399 A400 | V392-K396 HydrophobicContact CG1-CD 3.84Å; V392-K396 WeakPolarHBondContact O-CG 3.47Å; V392-K396 PolarHBondContact O-N 3.28Å; S393-K396 PolarHBondContact O-N 2.95Å; A394-K396 VanDerWaalsContact C-N 3.34Å; A394-K396 PolarHBondContact O-N 3.46Å; K396-F398 VanDerWaalsContact C-N 3.34Å; K396-Q399 PolarHBondContact O-N 3.48Å; K396-A400 WeakPolarHBondContact O-CB 3.28Å; K396-A400 PolarHBondContact O-N 3.17Å |
| 397 | I | 90.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 21.2 Ų | 21.2 | 5% | 0.046 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 172.6 | -67.3 | 157.7 | 0 | 0 | 0 | 109.5 | G153 F156 S393 A394 Q399 A400 L401 | G153-I397 WeakPolarHBondContact O-CG2 3.38Å; F156-I397 HydrophobicContact CD1-CD1 3.4Å; F156-I397 VanDerWaalsContact CD1-CD1 3.4Å; F156-I397 HydrophobicContact CD1-CG1 4.36Å; F156-I397 HydrophobicContact CE1-CD1 3.35Å; F156-I397 HydrophobicContact CE1-CG1 4.45Å; F156-I397 HydrophobicContact CG-CD1 4.39Å; F156-I397 HydrophobicContact CZ-CD1 4.3Å; S393-I397 VanDerWaalsContact O-CD1 3.3Å; S393-I397 WeakPolarHBondContact O-CD1 3.42Å; S393-I397 VanDerWaalsContact O-CG1 3.27Å; S393-I397 WeakPolarHBondContact O-CG1 3.48Å; S393-I397 PolarHBondContact O-N 3.29Å; A394-I397 PolarHBondContact O-N 2.92Å; I397-Q399 PolarHBondContact O-N 3.44Å; I397-A400 PolarHBondContact O-N 3.43Å; I397-L401 PolarHBondContact O-N 2.91Å |
| 398 | F | 92.7 | Very high | 88.7 | Confident | 20 Ų | 20 | 24.5 Ų | 24.5 | 9% | 0.088 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 179.8 | -158.9 | -115.7 | 0 | 0 | 0 | 112.5 | L154 S157 A394 P395 K396 L401 C402 I410 F413 A426 L429 | L154-F398 HydrophobicContact CD1-CE2 3.91Å; S157-F398 WeakPolarHBondContact OG-CB 3.33Å; A394-F398 WeakPolarHBondContact O-CB 3.16Å; A394-F398 PolarHBondContact O-N 3.38Å; P395-F398 PolarHBondContact O-N 3.23Å; K396-F398 VanDerWaalsContact C-N 3.34Å; F398-L401 HydrophobicContact CD2-CD2 4.36Å; F398-L401 HydrophobicContact CE2-CD2 4.32Å; F398-L401 PolarHBondContact O-N 3.22Å; F398-C402 WeakPolarHBondContact O-CB 3.49Å; F398-C402 PolarHBondContact O-N 3.43Å; F398-C402 PolarHBondContact O-SG 2.96Å; F398-I410 HydrophobicContact CZ-CD1 4.47Å; F398-F413 HydrophobicContact CD1-CB 3.79Å; F398-F413 HydrophobicContact CD1-CG 4.28Å; F398-F413 HydrophobicContact CE1-CB 3.52Å; F398-F413 HydrophobicContact CE1-CD1 4.27Å; F398-F413 AromaticContact CE1-CD2 3.86Å; F398-F413 HydrophobicContact CE1-CD2 3.86Å; F398-F413 AromaticContact CE1-CG 3.64Å; F398-F413 HydrophobicContact CE1-CG 3.64Å; F398-A426 HydrophobicContact CD1-CB 4.14Å; F398-L429 HydrophobicContact CD1-CD2 4.15Å; F398-L429 HydrophobicContact CE1-CD2 3.59Å; F398-L429 HydrophobicContact CZ-CD2 3.97Å |
| 399 | Q | 91.5 | Very high | 88.4 | Confident | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 176.8 | -175.5 | -167.6 | 27.1 | 0 | 0 | 111.3 | P395 K396 I397 L401 C402 K403 G414 N421 P423 | P395-Q399 VanDerWaalsContact O-CB 3.23Å; P395-Q399 WeakPolarHBondContact O-CB 3.33Å; P395-Q399 PolarHBondContact O-N 3.49Å; K396-Q399 PolarHBondContact O-N 3.48Å; I397-Q399 PolarHBondContact O-N 3.44Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 2.88Å; Q399-C402 PolarHBondContact O-N 3.39Å; Q399-K403 HydrophobicContact CG-CD 4.38Å; Q399-K403 WeakPolarHBondContact O-CG 3.48Å; Q399-K403 PolarHBondContact O-N 3.35Å; Q399-G414 WeakPolarHBondContact CG-O 3.48Å; Q399-N421 PolarHBondContact NE2-O 2.89Å; Q399-P423 HydrophobicContact CB-CB 3.71Å; Q399-P423 HydrophobicContact CB-CG 3.99Å; Q399-P423 HydrophobicContact CG-CB 3.75Å; Q399-P423 HydrophobicContact CG-CG 4.33Å |
| 400 | A | 88.5 | Confident | 88.5 | Confident | 24 Ų | 24 | 35.4 Ų | 35.4 | 20% | 0.198 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y137 K396 I397 K403 D404 | Y137-A400 HydrophobicContact CD1-CB 3.54Å; Y137-A400 HydrophobicContact CE1-CB 4.17Å; Y137-A400 HydrophobicContact CG-CB 4.39Å; K396-A400 WeakPolarHBondContact O-CB 3.28Å; K396-A400 PolarHBondContact O-N 3.17Å; I397-A400 PolarHBondContact O-N 3.43Å; A400-K403 PolarHBondContact O-N 3.24Å; A400-D404 PolarHBondContact O-N 2.97Å |
| 401 | L | 91 | Very high | 88.3 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 173.9 | 177.9 | 123.4 | 0 | 0 | 0 | 112.9 | Y137 G150 L154 I397 F398 Q399 D404 F407 I410 | Y137-L401 HydrophobicContact CD2-CB 4.49Å; Y137-L401 HydrophobicContact CD2-CD1 4.4Å; Y137-L401 HydrophobicContact CE1-CB 4.12Å; Y137-L401 HydrophobicContact CE2-CB 4Å; Y137-L401 HydrophobicContact CE2-CD1 3.62Å; Y137-L401 HydrophobicContact CE2-CG 4.29Å; G150-L401 VanDerWaalsContact O-CD1 3.24Å; G150-L401 WeakPolarHBondContact O-CD1 3.42Å; L154-L401 HydrophobicContact CB-CD1 4.5Å; L154-L401 HydrophobicContact CD1-CD2 4.04Å; I397-L401 PolarHBondContact O-N 2.91Å; F398-L401 HydrophobicContact CD2-CD2 4.36Å; F398-L401 HydrophobicContact CE2-CD2 4.32Å; F398-L401 PolarHBondContact O-N 3.22Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 2.88Å; L401-D404 PolarHBondContact O-N 2.96Å; L401-F407 HydrophobicContact CD1-CE2 4.33Å; L401-F407 HydrophobicContact CD2-CD2 4.17Å; L401-F407 HydrophobicContact CD2-CE2 4.32Å; L401-I410 HydrophobicContact CD2-CD1 3.52Å |
| 402 | C | 91 | Very high | 88.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.5 | -32.7 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | F398 Q399 D404 N405 I410 | F398-C402 WeakPolarHBondContact O-CB 3.49Å; F398-C402 PolarHBondContact O-N 3.43Å; F398-C402 PolarHBondContact O-SG 2.96Å; Q399-C402 PolarHBondContact O-N 3.39Å; C402-D404 VanDerWaalsContact C-N 3.26Å; C402-D404 PolarHBondContact O-N 3Å; C402-N405 PolarHBondContact O-N 3.33Å; C402-N405 VanDerWaalsContact O-N 3.16Å; C402-N405 PolarHBondContact O-OD1 2.79Å; C402-I410 PolarHBondContact SG-O 3.11Å |
| 403 | K | 87.7 | Confident | 88.4 | Confident | 94 Ų | 94 | 45.8 Ų | 45.8 | 41% | 0.409 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.6 | -30.3 | 175.6 | -78.3 | 174.7 | 175.6 | 171.4 | 0 | 113 | Q399 A400 N405 G414 N421 | Q399-K403 HydrophobicContact CG-CD 4.38Å; Q399-K403 WeakPolarHBondContact O-CG 3.48Å; Q399-K403 PolarHBondContact O-N 3.35Å; A400-K403 PolarHBondContact O-N 3.24Å; K403-N405 PolarHBondContact O-N 2.98Å; K403-G414 WeakPolarHBondContact CE-O 3.46Å; K403-N421 PolarHBondContact NZ-ND2 2.91Å |
| 404 | D | 87 | Confident | 88.3 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -1 | 177.2 | -76.6 | -23 | 0 | 0 | 0 | 113.2 | Y137 R142 A400 L401 C402 L406 W530 | Y137-D404 WeakPolarHBondContact CE1-OD2 3.17Å; R142-D404 IonicContact NH2-OD1 3.69Å; R142-D404 PolarHBondContact NH2-OD1 3.04Å; R142-D404 IonicContact NH2-OD2 3.3Å; R142-D404 PolarHBondContact NH2-OD2 3.4Å; A400-D404 PolarHBondContact O-N 2.97Å; L401-D404 PolarHBondContact O-N 2.96Å; C402-D404 VanDerWaalsContact C-N 3.26Å; C402-D404 PolarHBondContact O-N 3Å; D404-L406 HydrophobicContact CB-CG 4.07Å; D404-L406 PolarHBondContact O-N 3.46Å; D404-W530 HydrophobicContact CB-CH2 3.67Å; D404-W530 HydrophobicContact CB-CZ2 4.03Å; D404-W530 VanDerWaalsContact CG-CH2 3.46Å; D404-W530 WeakPolarHBondContact OD2-CH2 3.3Å |
| 405 | N | 85.7 | Confident | 88.2 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 53% | 0.529 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 25.1 | 175.4 | -72.7 | -41.7 | 0 | 0 | 0 | 115.4 | C402 K403 F407 R524 | C402-N405 PolarHBondContact O-N 3.33Å; C402-N405 VanDerWaalsContact O-N 3.16Å; C402-N405 PolarHBondContact O-OD1 2.79Å; K403-N405 PolarHBondContact O-N 2.98Å; N405-F407 PolarHBondContact O-N 3.48Å; N405-R524 PolarHBondContact O-NH1 3.41Å |
| 406 | L | 85.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | trans | -61.1 | -30.7 | -179.5 | -64 | -179 | 0 | 0 | 0 | 112.5 | Y137 P146 D404 L521 R524 P526 V528 W530 | Y137-L406 WeakPolarHBondContact OH-CD1 3.29Å; P146-L406 HydrophobicContact CB-CD2 3.97Å; D404-L406 HydrophobicContact CB-CG 4.07Å; D404-L406 PolarHBondContact O-N 3.46Å; L406-L521 HydrophobicContact CB-CD2 3.97Å; L406-L521 WeakPolarHBondContact O-CD2 3.34Å; L406-R524 PolarHBondContact O-NH1 3.4Å; L406-P526 HydrophobicContact CD2-CB 4.14Å; L406-P526 HydrophobicContact CD2-CG 4.24Å; L406-V528 HydrophobicContact CD2-CG2 4.48Å; L406-W530 HydrophobicContact CD1-CH2 4.15Å; L406-W530 HydrophobicContact CD1-CZ3 4.05Å; L406-W530 HydrophobicContact CD2-CH2 3.9Å; L406-W530 HydrophobicContact CD2-CZ3 4.02Å; L406-W530 HydrophobicContact CG-CH2 4.27Å | ||
| 407 | F | 86.2 | Confident | 87.8 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 10% | 0.101 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -117.6 | 128.6 | 174.5 | -58.1 | -83.2 | 0 | 0 | 0 | 109.9 | L401 N405 Y409 I410 L517 L521 | L401-F407 HydrophobicContact CD1-CE2 4.33Å; L401-F407 HydrophobicContact CD2-CD2 4.17Å; L401-F407 HydrophobicContact CD2-CE2 4.32Å; N405-F407 PolarHBondContact O-N 3.48Å; F407-Y409 VanDerWaalsContact C-N 3.33Å; F407-Y409 PolarHBondContact O-N 3.47Å; F407-I410 HydrophobicContact CB-CD1 3.63Å; F407-I410 HydrophobicContact CB-CG1 3.79Å; F407-I410 HydrophobicContact CD2-CD1 3.74Å; F407-I410 HydrophobicContact CG-CD1 4.04Å; F407-L517 HydrophobicContact CE1-CD2 3.82Å; F407-L517 HydrophobicContact CZ-CD2 4.03Å; F407-L521 HydrophobicContact CD1-CD2 4.39Å; F407-L521 HydrophobicContact CE1-CD1 4.37Å; F407-L521 HydrophobicContact CE1-CD2 3.96Å; F407-L521 HydrophobicContact CE1-CG 4.07Å; F407-L521 HydrophobicContact CE2-CD2 4.42Å; F407-L521 HydrophobicContact CZ-CD1 3.86Å; F407-L521 HydrophobicContact CZ-CD2 3.99Å; F407-L521 HydrophobicContact CZ-CG 4.06Å |
| 408 | P | 80.1 | Confident | 87.3 | Confident | 70 Ų | 70 | 55 Ų | 55 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -27.2 | -165.8 | 21 | -27.3 | 0 | 0 | 0 | 114.4 | R524 | P408-R524 VanDerWaalsContact CD-NH1 3.3Š|
| 409 | Y | 83.3 | Confident | 86.5 | Confident | 214 Ų | 214 | 66 Ų | 66 | 84% | 0.839 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -5.9 | -168.4 | -58.4 | -64.1 | 0 | 0 | 0 | 114.9 | F407 | F407-Y409 VanDerWaalsContact C-N 3.33Å; F407-Y409 PolarHBondContact O-N 3.47Å |
| 410 | I | 89 | Confident | 85.6 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | trans | -101.9 | 1.1 | -176.2 | 65.8 | 178.2 | 0 | 0 | 0 | 113.5 | F398 L401 C402 F407 Y412 F413 | F398-I410 HydrophobicContact CZ-CD1 4.47Å; L401-I410 HydrophobicContact CD2-CD1 3.52Å; C402-I410 PolarHBondContact SG-O 3.11Å; F407-I410 HydrophobicContact CB-CD1 3.63Å; F407-I410 HydrophobicContact CB-CG1 3.79Å; F407-I410 HydrophobicContact CD2-CD1 3.74Å; F407-I410 HydrophobicContact CG-CD1 4.04Å; I410-Y412 PolarHBondContact O-N 3.4Å; I410-F413 HydrophobicContact CB-CD2 4.43Å; I410-F413 PolarHBondContact O-N 3.04Å | ||
| 411 | G | 86 | Confident | 85.3 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -55.1 | -28 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F413 G414 | G411-F413 VanDerWaalsContact C-N 3.26Å; G411-F413 PolarHBondContact O-N 3.33Å; G411-G414 PolarHBondContact O-N 3.43Å |
| 412 | Y | 89.2 | Confident | 85 | Confident | 151 Ų | 151 | 74 Ų | 74 | 59% | 0.592 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -53.8 | -39.8 | 174.7 | 177 | -104.8 | 0 | 0 | 0 | 113.3 | I410 G414 K415 P425 | I410-Y412 PolarHBondContact O-N 3.4Å; Y412-G414 PolarHBondContact O-N 2.89Å; Y412-K415 PolarHBondContact O-N 3.45Å; Y412-P425 HydrophobicContact CD1-CB 4.34Å; Y412-P425 HydrophobicContact CE1-CB 3.83Å; Y412-P425 HydrophobicContact CE1-CG 4.18Å |
| 413 | F | 91.6 | Very high | 84.9 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 23% | 0.228 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -75.2 | -10.1 | -178.5 | -63.2 | -81.5 | 0 | 0 | 0 | 113.5 | F398 I410 G411 K415 P425 L429 | F398-F413 HydrophobicContact CD1-CB 3.79Å; F398-F413 HydrophobicContact CD1-CG 4.28Å; F398-F413 HydrophobicContact CE1-CB 3.52Å; F398-F413 HydrophobicContact CE1-CD1 4.27Å; F398-F413 AromaticContact CE1-CD2 3.86Å; F398-F413 HydrophobicContact CE1-CD2 3.86Å; F398-F413 AromaticContact CE1-CG 3.64Å; F398-F413 HydrophobicContact CE1-CG 3.64Å; I410-F413 HydrophobicContact CB-CD2 4.43Å; I410-F413 PolarHBondContact O-N 3.04Å; G411-F413 VanDerWaalsContact C-N 3.26Å; G411-F413 PolarHBondContact O-N 3.33Å; F413-K415 VanDerWaalsContact C-N 3.34Å; F413-P425 HydrophobicContact CD1-CB 3.84Å; F413-P425 HydrophobicContact CE1-CB 4.35Å; F413-L429 HydrophobicContact CD1-CB 4.43Å; F413-L429 HydrophobicContact CD1-CD2 4.21Å; F413-L429 HydrophobicContact CE1-CB 4.03Å; F413-L429 HydrophobicContact CE1-CD2 4Å; F413-L429 HydrophobicContact CE1-CG 4.47Å; F413-L429 HydrophobicContact CZ-CD2 4.23Å |
| 414 | G | 86.7 | Confident | 85 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -78.1 | -15.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q399 K403 G411 Y412 G416 | Q399-G414 WeakPolarHBondContact CG-O 3.48Å; K403-G414 WeakPolarHBondContact CE-O 3.46Å; G411-G414 PolarHBondContact O-N 3.43Å; Y412-G414 PolarHBondContact O-N 2.89Å; G414-G416 PolarHBondContact O-N 2.95Å |
| 415 | K | 88.5 | Confident | 85.2 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 54% | 0.543 | 36% | 0.363 | S | S | . | . | trans | -69.7 | 113.5 | -178.5 | -170.2 | 172.7 | 178.4 | -178.3 | 0 | 110.4 | Y412 F413 Y417 | Y412-K415 PolarHBondContact O-N 3.45Å; F413-K415 VanDerWaalsContact C-N 3.34Å; K415-Y417 HydrophobicContact CB-CE2 4.31Å; K415-Y417 HydrophobicContact CD-CE2 4.36Å; K415-Y417 HydrophobicContact CG-CE2 4.03Å; K415-Y417 WeakPolarHBondContact O-CD2 3.24Å; K415-Y417 WeakPolarHBondContact O-CE2 3.43Å | ||
| 416 | G | 86.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | trans | -91.4 | 154.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G414 N421 E422 | G414-G416 PolarHBondContact O-N 2.95Å; G416-N421 WeakPolarHBondContact CA-OD1 3.22Å; G416-E422 CarbonylContact C-O 3.51Å; G416-E422 WeakPolarHBondContact CA-O 3.43Å | ||
| 417 | Y | 85.1 | Confident | 85.9 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 28% | 0.275 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -125.3 | 146 | -175 | -66.7 | -97.9 | 0 | 0 | 0 | 110.2 | K415 E422 R424 P425 | K415-Y417 HydrophobicContact CB-CE2 4.31Å; K415-Y417 HydrophobicContact CD-CE2 4.36Å; K415-Y417 HydrophobicContact CG-CE2 4.03Å; K415-Y417 WeakPolarHBondContact O-CD2 3.24Å; K415-Y417 WeakPolarHBondContact O-CE2 3.43Å; Y417-E422 PolarHBondContact N-O 2.97Å; Y417-E422 PolarHBondContact O-N 3.4Å; Y417-R424 HydrophobicContact CD2-CB 3.99Å; Y417-R424 HydrophobicContact CD2-CG 4.14Å; Y417-R424 HydrophobicContact CE2-CB 4.47Å; Y417-R424 HydrophobicContact CG-CG 4.29Å; Y417-P425 HydrophobicContact CE2-CG 3.86Å |
| 418 | G | 80.2 | Confident | 86.2 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 67% | 0.67 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -177.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | N420 N421 | G418-N420 VanDerWaalsContact C-N 3.27Å; G418-N420 PolarHBondContact O-N 3.07Å; G418-N421 PolarHBondContact O-N 2.85Å |
| 419 | R | 75.8 | Confident | 86.9 | Confident | 253 Ų | 253 | 71.5 Ų | 71.5 | 96% | 0.955 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.4 | -175.2 | -73.8 | -179.6 | 166.7 | 172.6 | -4 | 113.6 | ||
| 420 | N | 73.5 | Confident | 87.5 | Confident | 103 Ų | 103 | 61.5 Ų | 61.5 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.2 | -177.1 | -62.1 | -4.5 | 0 | 0 | 0 | 113.4 | G418 E422 | G418-N420 VanDerWaalsContact C-N 3.27Å; G418-N420 PolarHBondContact O-N 3.07Å; N420-E422 HydrophobicContact CB-CG 4.04Å; N420-E422 PolarHBondContact O-N 2.72Å |
| 421 | N | 82.7 | Confident | 87.7 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 42.8 | 179.8 | -155.3 | 8.5 | 0 | 0 | 0 | 113.5 | Q399 K403 G416 G418 | Q399-N421 PolarHBondContact NE2-O 2.89Å; K403-N421 PolarHBondContact NZ-ND2 2.91Å; G416-N421 WeakPolarHBondContact CA-OD1 3.22Å; G418-N421 PolarHBondContact O-N 2.85Å |
| 422 | E | 83.5 | Confident | 88.2 | Confident | 29 Ų | 29 | 65 Ų | 65 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 129.7 | -172.4 | -64.3 | -65.4 | 171.1 | 0 | 0 | 112.3 | V213 G416 Y417 N420 R424 Y427 | V213-E422 WeakPolarHBondContact CG2-OE1 3.42Å; G416-E422 CarbonylContact C-O 3.51Å; G416-E422 WeakPolarHBondContact CA-O 3.43Å; Y417-E422 PolarHBondContact N-O 2.97Å; Y417-E422 PolarHBondContact O-N 3.4Å; N420-E422 HydrophobicContact CB-CG 4.04Å; N420-E422 PolarHBondContact O-N 2.72Å; E422-R424 PolarHBondContact O-N 3.29Å; E422-Y427 HydrophobicContact CB-CE2 4.34Å; E422-Y427 PolarHBondContact OE2-OH 3.16Å |
| 423 | P | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -83.6 | 72.9 | -173.5 | 34.3 | -37.5 | 0 | 0 | 0 | 113.1 | P395 Q399 P425 A426 Y427 | P395-P423 HydrophobicContact CB-CG 3.94Å; Q399-P423 HydrophobicContact CB-CB 3.71Å; Q399-P423 HydrophobicContact CB-CG 3.99Å; Q399-P423 HydrophobicContact CG-CB 3.75Å; Q399-P423 HydrophobicContact CG-CG 4.33Å; P423-P425 VanDerWaalsContact C-CD 3.47Å; P423-A426 HydrophobicContact CB-CB 3.91Å; P423-A426 HydrophobicContact CG-CB 4.4Å; P423-A426 PolarHBondContact O-N 3.49Å; P423-Y427 HydrophobicContact CG-CD2 4.34Å; P423-Y427 HydrophobicContact CG-CE2 4Å; P423-Y427 VanDerWaalsContact O-CD2 3.27Å; P423-Y427 WeakPolarHBondContact O-CD2 3.37Å; P423-Y427 PolarHBondContact O-N 3.43Å | ||
| 424 | R | 89.1 | Confident | 88.7 | Confident | 135 Ų | 135 | 57.5 Ų | 57.5 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -48.9 | -45.6 | 179.6 | -63.7 | -179.1 | -179.5 | -179.4 | -1.9 | 114.4 | Y417 E422 A426 Y427 V428 | Y417-R424 HydrophobicContact CD2-CB 3.99Å; Y417-R424 HydrophobicContact CD2-CG 4.14Å; Y417-R424 HydrophobicContact CE2-CB 4.47Å; Y417-R424 HydrophobicContact CG-CG 4.29Å; E422-R424 PolarHBondContact O-N 3.29Å; R424-A426 VanDerWaalsContact C-N 3.32Å; R424-A426 PolarHBondContact O-N 3.41Å; R424-Y427 WeakPolarHBondContact O-CB 3.36Å; R424-Y427 PolarHBondContact O-N 3.27Å; R424-V428 WeakPolarHBondContact O-CG2 3.39Å; R424-V428 PolarHBondContact O-N 3.31Å; R424-V428 VanDerWaalsContact O-N 3.16Å |
| 425 | P | 92.2 | Very high | 89.1 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 178.5 | -21.4 | 34.4 | 0 | 0 | 0 | 112.8 | Y412 F413 Y417 P423 V428 L429 | Y412-P425 HydrophobicContact CD1-CB 4.34Å; Y412-P425 HydrophobicContact CE1-CB 3.83Å; Y412-P425 HydrophobicContact CE1-CG 4.18Å; F413-P425 HydrophobicContact CD1-CB 3.84Å; F413-P425 HydrophobicContact CE1-CB 4.35Å; Y417-P425 HydrophobicContact CE2-CG 3.86Å; P423-P425 VanDerWaalsContact C-CD 3.47Å; P425-V428 PolarHBondContact O-N 2.91Å; P425-L429 PolarHBondContact O-N 2.9Å |
| 426 | A | 92.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.9 | -34.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P395 F398 P423 R424 V428 L429 T430 | P395-A426 HydrophobicContact CB-CB 3.83Å; F398-A426 HydrophobicContact CD1-CB 4.14Å; P423-A426 HydrophobicContact CB-CB 3.91Å; P423-A426 HydrophobicContact CG-CB 4.4Å; P423-A426 PolarHBondContact O-N 3.49Å; R424-A426 VanDerWaalsContact C-N 3.32Å; R424-A426 PolarHBondContact O-N 3.41Å; A426-V428 VanDerWaalsContact C-N 3.34Å; A426-V428 PolarHBondContact O-N 3.42Å; A426-L429 PolarHBondContact O-N 3.27Å; A426-T430 PolarHBondContact O-N 3.03Å; A426-T430 PolarHBondContact O-OG1 3.1Å |
| 427 | Y | 93 | Very high | 89.8 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 171 | -78.3 | -60 | 0 | 0 | 0 | 111.9 | V209 M391 P395 E422 P423 R424 L429 T430 F431 | V209-Y427 HydrophobicContact CB-CE1 4.46Å; V209-Y427 HydrophobicContact CG1-CD1 3.63Å; V209-Y427 HydrophobicContact CG1-CE1 3.08Å; V209-Y427 HydrophobicContact CG1-CE2 4.29Å; V209-Y427 HydrophobicContact CG1-CG 4.48Å; V209-Y427 VanDerWaalsContact CG1-CZ 3.46Å; M391-Y427 WeakPolarHBondContact O-CE1 3.43Å; P395-Y427 HydrophobicContact CB-CD1 3.81Å; P395-Y427 HydrophobicContact CB-CE1 3.79Å; P395-Y427 HydrophobicContact CB-CG 4.18Å; P395-Y427 HydrophobicContact CG-CD1 3.42Å; P395-Y427 VanDerWaalsContact CG-CD1 3.42Å; P395-Y427 HydrophobicContact CG-CE1 3.62Å; P395-Y427 HydrophobicContact CG-CG 4.13Å; E422-Y427 HydrophobicContact CB-CE2 4.34Å; E422-Y427 PolarHBondContact OE2-OH 3.16Å; P423-Y427 HydrophobicContact CG-CD2 4.34Å; P423-Y427 HydrophobicContact CG-CE2 4Å; P423-Y427 VanDerWaalsContact O-CD2 3.27Å; P423-Y427 WeakPolarHBondContact O-CD2 3.37Å; P423-Y427 PolarHBondContact O-N 3.43Å; R424-Y427 WeakPolarHBondContact O-CB 3.36Å; R424-Y427 PolarHBondContact O-N 3.27Å; Y427-L429 VanDerWaalsContact C-N 3.35Å; Y427-T430 PolarHBondContact O-N 2.79Å; Y427-F431 WeakPolarHBondContact O-CB 3.47Å; Y427-F431 PolarHBondContact O-N 3.45Å |
| 428 | V | 93.2 | Very high | 90.3 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | R424 P425 A426 F431 L432 | R424-V428 WeakPolarHBondContact O-CG2 3.39Å; R424-V428 PolarHBondContact O-N 3.31Å; R424-V428 VanDerWaalsContact O-N 3.16Å; P425-V428 PolarHBondContact O-N 2.91Å; A426-V428 VanDerWaalsContact C-N 3.34Å; A426-V428 PolarHBondContact O-N 3.42Å; V428-F431 PolarHBondContact O-N 2.94Å; V428-L432 HydrophobicContact CG1-CD1 4.16Å; V428-L432 HydrophobicContact CG1-CG 4.41Å; V428-L432 WeakPolarHBondContact O-CG 3.49Å; V428-L432 PolarHBondContact O-N 2.96Å |
| 429 | L | 93.9 | Very high | 90.9 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 176.6 | 180 | 63.6 | 0 | 0 | 0 | 112.1 | F398 F413 P425 A426 Y427 F431 L432 I433 | F398-L429 HydrophobicContact CD1-CD2 4.15Å; F398-L429 HydrophobicContact CE1-CD2 3.59Å; F398-L429 HydrophobicContact CZ-CD2 3.97Å; F413-L429 HydrophobicContact CD1-CB 4.43Å; F413-L429 HydrophobicContact CD1-CD2 4.21Å; F413-L429 HydrophobicContact CE1-CB 4.03Å; F413-L429 HydrophobicContact CE1-CD2 4Å; F413-L429 HydrophobicContact CE1-CG 4.47Å; F413-L429 HydrophobicContact CZ-CD2 4.23Å; P425-L429 PolarHBondContact O-N 2.9Å; A426-L429 PolarHBondContact O-N 3.27Å; Y427-L429 VanDerWaalsContact C-N 3.35Å; L429-F431 VanDerWaalsContact C-N 3.31Å; L429-F431 PolarHBondContact O-N 3.3Å; L429-L432 PolarHBondContact O-N 2.72Å; L429-I433 HydrophobicContact CD1-CD1 4.22Å; L429-I433 HydrophobicContact CG-CD1 4.06Å; L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 3.39Å |
| 430 | T | 94.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.5 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | A161 A394 P395 A426 Y427 I433 A434 | A161-T430 HydrophobicContact CB-CG2 3.88Å; A394-T430 HydrophobicContact CB-CG2 3.98Å; P395-T430 HydrophobicContact CG-CG2 4.29Å; P395-T430 WeakPolarHBondContact CG-OG1 3.44Å; A426-T430 PolarHBondContact O-N 3.03Å; A426-T430 PolarHBondContact O-OG1 3.1Å; Y427-T430 PolarHBondContact O-N 2.79Å; T430-I433 PolarHBondContact O-N 2.93Å; T430-A434 WeakPolarHBondContact O-CB 3.43Å; T430-A434 PolarHBondContact O-N 3.31Å |
| 431 | F | 94.9 | Very high | 92.5 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.8 | 174.2 | -100.5 | 0 | 0 | 0 | 112.4 | A202 V203 L206 M391 Y427 V428 L429 A434 C435 | A202-F431 HydrophobicContact CB-CD2 4.41Å; A202-F431 HydrophobicContact CB-CE2 3.93Å; V203-F431 HydrophobicContact CG2-CE2 3.93Å; V203-F431 HydrophobicContact CG2-CZ 3.65Å; L206-F431 HydrophobicContact CB-CD2 4.16Å; L206-F431 HydrophobicContact CD1-CB 4.25Å; L206-F431 HydrophobicContact CD2-CB 4.1Å; L206-F431 HydrophobicContact CD2-CD1 4.08Å; L206-F431 HydrophobicContact CD2-CD2 3.91Å; L206-F431 HydrophobicContact CD2-CE2 4.36Å; L206-F431 HydrophobicContact CD2-CG 3.75Å; M391-F431 HydrophobicContact CE-CB 4.37Å; M391-F431 HydrophobicContact CE-CD2 4.14Å; Y427-F431 WeakPolarHBondContact O-CB 3.47Å; Y427-F431 PolarHBondContact O-N 3.45Å; V428-F431 PolarHBondContact O-N 2.94Å; L429-F431 VanDerWaalsContact C-N 3.31Å; L429-F431 PolarHBondContact O-N 3.3Å; F431-A434 PolarHBondContact O-N 2.97Å; F431-C435 VanDerWaalsContact CE1-SG 3.59Å; F431-C435 WeakPolarHBondContact CZ-SG 3.07Å; F431-C435 WeakPolarHBondContact O-CB 3.37Å; F431-C435 PolarHBondContact O-N 3.45Å; F431-C435 PolarHBondContact O-SG 3.16Å |
| 432 | L | 96 | Very high | 92.8 | Very high | 105 Ų | 105 | 36.6 Ų | 36.6 | 55% | 0.55 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.4 | -69.9 | 174.1 | 0 | 0 | 0 | 112.1 | V428 L429 C435 G436 | V428-L432 HydrophobicContact CG1-CD1 4.16Å; V428-L432 HydrophobicContact CG1-CG 4.41Å; V428-L432 WeakPolarHBondContact O-CG 3.49Å; V428-L432 PolarHBondContact O-N 2.96Å; L429-L432 PolarHBondContact O-N 2.72Å; L432-C435 PolarHBondContact O-N 3.35Å; L432-G436 PolarHBondContact O-N 2.84Å; L432-G436 VanDerWaalsContact O-N 3.08Å |
| 433 | I | 95.5 | Very high | 93.1 | Very high | 44 Ų | 44 | 35.3 Ų | 35.3 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.1 | -66 | 166.9 | 0 | 0 | 0 | 110.2 | F158 A161 V162 L429 T430 C435 G436 V437 | F158-I433 HydrophobicContact CD2-CD1 4.26Å; F158-I433 HydrophobicContact CD2-CG2 4.49Å; F158-I433 HydrophobicContact CE2-CD1 4.33Å; F158-I433 HydrophobicContact CE2-CG2 3.98Å; F158-I433 HydrophobicContact CZ-CG2 4.47Å; A161-I433 HydrophobicContact CB-CB 4.26Å; A161-I433 HydrophobicContact CB-CD1 4.4Å; A161-I433 HydrophobicContact CB-CG2 3.94Å; V162-I433 HydrophobicContact CG2-CG2 4.28Å; L429-I433 HydrophobicContact CD1-CD1 4.22Å; L429-I433 HydrophobicContact CG-CD1 4.06Å; L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 3.39Å; T430-I433 PolarHBondContact O-N 2.93Å; I433-C435 PolarHBondContact O-N 3.11Å; I433-G436 PolarHBondContact O-N 3.25Å; I433-V437 WeakPolarHBondContact O-CG2 3.27Å; I433-V437 PolarHBondContact O-N 3.45Å |
| 434 | A | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V164 T430 F431 G436 V437 I438 | V164-A434 HydrophobicContact CB-CB 4.08Å; V164-A434 HydrophobicContact CG1-CB 4.04Å; T430-A434 WeakPolarHBondContact O-CB 3.43Å; T430-A434 PolarHBondContact O-N 3.31Å; F431-A434 PolarHBondContact O-N 2.97Å; A434-G436 VanDerWaalsContact C-N 3.33Å; A434-G436 PolarHBondContact O-N 3.43Å; A434-V437 PolarHBondContact O-N 2.91Å; A434-V437 VanDerWaalsContact O-N 3.17Å; A434-I438 WeakPolarHBondContact O-CB 3.46Å; A434-I438 WeakPolarHBondContact O-CG1 3.29Å; A434-I438 PolarHBondContact O-N 2.95Å |
| 435 | C | 95.5 | Very high | 93.3 | Very high | 25 Ų | 25 | 35.4 Ų | 35.4 | 17% | 0.169 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 176.9 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | L199 F431 L432 I433 V437 I438 A439 | L199-C435 HydrophobicContact CD1-CB 4.48Å; F431-C435 VanDerWaalsContact CE1-SG 3.59Å; F431-C435 WeakPolarHBondContact CZ-SG 3.07Å; F431-C435 WeakPolarHBondContact O-CB 3.37Å; F431-C435 PolarHBondContact O-N 3.45Å; F431-C435 PolarHBondContact O-SG 3.16Å; L432-C435 PolarHBondContact O-N 3.35Å; I433-C435 PolarHBondContact O-N 3.11Å; C435-V437 VanDerWaalsContact C-N 3.29Å; C435-V437 PolarHBondContact O-N 3.14Å; C435-I438 PolarHBondContact O-N 3.06Å; C435-A439 PolarHBondContact O-N 3.3Å; C435-A439 VanDerWaalsContact O-N 3.07Å |
| 436 | G | 94.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 53% | 0.526 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L432 I433 A434 | L432-G436 PolarHBondContact O-N 2.84Å; L432-G436 VanDerWaalsContact O-N 3.08Å; I433-G436 PolarHBondContact O-N 3.25Å; A434-G436 VanDerWaalsContact C-N 3.33Å; A434-G436 PolarHBondContact O-N 3.43Å |
| 437 | V | 94.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 12% | 0.121 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80.1 | -37.3 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | V162 A165 I433 A434 C435 A439 I440 I446 | V162-V437 HydrophobicContact CG1-CG1 3.99Å; V162-V437 HydrophobicContact CG1-CG2 4.03Å; V162-V437 HydrophobicContact CG2-CG2 4.24Å; A165-V437 HydrophobicContact CB-CB 3.56Å; A165-V437 HydrophobicContact CB-CG1 3.49Å; A165-V437 VanDerWaalsContact CB-CG1 3.49Å; I433-V437 WeakPolarHBondContact O-CG2 3.27Å; I433-V437 PolarHBondContact O-N 3.45Å; A434-V437 PolarHBondContact O-N 2.91Å; A434-V437 VanDerWaalsContact O-N 3.17Å; C435-V437 VanDerWaalsContact C-N 3.29Å; C435-V437 PolarHBondContact O-N 3.14Å; V437-A439 PolarHBondContact O-N 3.11Å; V437-I440 HydrophobicContact CG1-CD1 4.48Å; V437-I440 WeakPolarHBondContact O-CB 3.26Å; V437-I440 WeakPolarHBondContact O-CG1 3.43Å; V437-I440 PolarHBondContact O-N 2.87Å; V437-I440 VanDerWaalsContact O-N 3.12Å; V437-I446 HydrophobicContact CG1-CB 4.41Å; V437-I446 HydrophobicContact CG1-CD1 4.18Å; V437-I446 HydrophobicContact CG1-CG1 3.89Å; V437-I446 HydrophobicContact CG1-CG2 3.72Å |
| 438 | I | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -34.3 | 174.2 | -72.2 | 165.5 | 0 | 0 | 0 | 110.9 | A165 V168 V169 A202 A434 C435 I440 G441 | A165-I438 HydrophobicContact CB-CG1 3.72Å; V168-I438 HydrophobicContact CB-CD1 4.49Å; V168-I438 HydrophobicContact CG1-CD1 4.26Å; V169-I438 HydrophobicContact CG2-CB 4.43Å; V169-I438 HydrophobicContact CG2-CG1 4.17Å; V169-I438 HydrophobicContact CG2-CG2 4.38Å; A202-I438 HydrophobicContact CB-CD1 3.86Å; A434-I438 WeakPolarHBondContact O-CB 3.46Å; A434-I438 WeakPolarHBondContact O-CG1 3.29Å; A434-I438 PolarHBondContact O-N 2.95Å; C435-I438 PolarHBondContact O-N 3.06Å; I438-I440 PolarHBondContact O-N 3.33Å; I438-I440 VanDerWaalsContact O-N 3.09Å; I438-G441 PolarHBondContact O-N 3.3Å |
| 439 | A | 93.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 36 Ų | 36 | 50% | 0.504 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R195 C435 V437 G441 | R195-A439 PolarHBondContact NE-O 3.4Å; C435-A439 PolarHBondContact O-N 3.3Å; C435-A439 VanDerWaalsContact O-N 3.07Å; V437-A439 PolarHBondContact O-N 3.11Å; A439-G441 VanDerWaalsContact C-N 3.33Å; A439-G441 PolarHBondContact O-N 3.1Å |
| 440 | I | 93.1 | Very high | 93 | Very high | 58 Ų | 58 | 33.7 Ų | 33.7 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -45.1 | 173.8 | -60.2 | 173.9 | 0 | 0 | 0 | 109.7 | R195 V437 I438 D442 L445 I446 I449 | R195-I440 PolarHBondContact NH2-O 2.93Å; V437-I440 HydrophobicContact CG1-CD1 4.48Å; V437-I440 WeakPolarHBondContact O-CB 3.26Å; V437-I440 WeakPolarHBondContact O-CG1 3.43Å; V437-I440 PolarHBondContact O-N 2.87Å; V437-I440 VanDerWaalsContact O-N 3.12Å; I438-I440 PolarHBondContact O-N 3.33Å; I438-I440 VanDerWaalsContact O-N 3.09Å; I440-D442 VanDerWaalsContact C-N 3.27Å; I440-D442 PolarHBondContact O-N 3.46Å; I440-L445 HydrophobicContact CG2-CB 3.97Å; I440-L445 HydrophobicContact CG2-CD1 4.12Å; I440-I446 HydrophobicContact CB-CD1 4.35Å; I440-I446 HydrophobicContact CB-CG1 4.16Å; I440-I446 HydrophobicContact CD1-CG1 4.18Å; I440-I446 HydrophobicContact CG2-CG1 4.28Å; I440-I449 HydrophobicContact CD1-CD1 4.13Å |
| 441 | G | 88.4 | Confident | 93 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | trans | 76.5 | 3.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | I438 A439 | I438-G441 PolarHBondContact O-N 3.3Å; A439-G441 VanDerWaalsContact C-N 3.33Å; A439-G441 PolarHBondContact O-N 3.1Å | ||
| 442 | D | 90.4 | Very high | 92.9 | Very high | 58 Ų | 58 | 32.7 Ų | 32.7 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | trans | -125.3 | 120.7 | 178.8 | -176.7 | -1.9 | 0 | 0 | 0 | 111.2 | I440 N444 L445 I446 | I440-D442 VanDerWaalsContact C-N 3.27Å; I440-D442 PolarHBondContact O-N 3.46Å; D442-N444 VanDerWaalsContact C-N 3.28Å; D442-N444 PolarHBondContact O-N 2.96Å; D442-N444 PolarHBondContact OD1-N 2.76Å; D442-L445 HydrophobicContact CB-CB 4.44Å; D442-L445 HydrophobicContact CB-CD1 4.25Å; D442-L445 HydrophobicContact CB-CG 4.35Å; D442-L445 PolarHBondContact O-N 3.33Å; D442-I446 WeakPolarHBondContact O-CD1 3.49Å; D442-I446 VanDerWaalsContact O-CG1 3.25Å; D442-I446 WeakPolarHBondContact O-CG1 3.31Å; D442-I446 PolarHBondContact O-N 3.45Å | ||
| 443 | L | 89.5 | Confident | 92.8 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.3 | -35.4 | 179.6 | -162.5 | 76.1 | 0 | 0 | 0 | 112.5 | V86 R91 L166 V169 L445 I446 A447 | V86-L443 HydrophobicContact CG1-CD2 4.12Å; R91-L443 HydrophobicContact CG-CD2 4.06Å; L166-L443 HydrophobicContact CD1-CD1 3.43Å; L166-L443 VanDerWaalsContact CD1-CD1 3.43Å; L166-L443 HydrophobicContact CD1-CG 3.95Å; L166-L443 HydrophobicContact CG-CD1 4.01Å; L166-L443 VanDerWaalsContact O-CD1 3.27Å; L166-L443 WeakPolarHBondContact O-CD1 3.34Å; V169-L443 HydrophobicContact CB-CD1 4.47Å; V169-L443 HydrophobicContact CG1-CB 4.46Å; V169-L443 HydrophobicContact CG1-CD1 4.26Å; L443-L445 VanDerWaalsContact C-N 3.33Å; L443-L445 PolarHBondContact O-N 2.7Å; L443-I446 PolarHBondContact O-N 3.29Å; L443-A447 WeakPolarHBondContact O-CB 3.23Å; L443-A447 PolarHBondContact O-N 3.4Å |
| 444 | N | 90 | Very high | 92.7 | Very high | 31 Ų | 31 | 27.3 Ų | 27.3 | 17% | 0.166 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.7 | -26.9 | -175.4 | -68.8 | -12.3 | 0 | 0 | 0 | 112.3 | R91 D442 P448 | R91-N444 PolarHBondContact NE-OD1 3.39Å; D442-N444 VanDerWaalsContact C-N 3.28Å; D442-N444 PolarHBondContact O-N 2.96Å; D442-N444 PolarHBondContact OD1-N 2.76Å; N444-P448 WeakPolarHBondContact O-CD 3.41Å; N444-P448 WeakPolarHBondContact O-CG 3.22Å |
| 445 | L | 91.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 27.3 Ų | 27.3 | 55% | 0.55 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -84.6 | -32 | 173.7 | -66.4 | 178.3 | 0 | 0 | 0 | 112.7 | I440 D442 L443 | I440-L445 HydrophobicContact CG2-CB 3.97Å; I440-L445 HydrophobicContact CG2-CD1 4.12Å; D442-L445 HydrophobicContact CB-CB 4.44Å; D442-L445 HydrophobicContact CB-CD1 4.25Å; D442-L445 HydrophobicContact CB-CG 4.35Å; D442-L445 PolarHBondContact O-N 3.33Å; L443-L445 VanDerWaalsContact C-N 3.33Å; L443-L445 PolarHBondContact O-N 2.7Å |
| 446 | I | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.9 | -39.2 | 179.4 | -66.7 | 166.8 | 0 | 0 | 0 | 111.2 | L166 V169 V437 I440 D442 L443 I449 I450 | L166-I446 HydrophobicContact CB-CG2 4.03Å; L166-I446 HydrophobicContact CD1-CB 4.48Å; L166-I446 HydrophobicContact CD1-CG2 4.08Å; V169-I446 HydrophobicContact CB-CD1 4.29Å; V169-I446 HydrophobicContact CG1-CD1 4.27Å; V169-I446 HydrophobicContact CG2-CD1 3.86Å; V437-I446 HydrophobicContact CG1-CB 4.41Å; V437-I446 HydrophobicContact CG1-CD1 4.18Å; V437-I446 HydrophobicContact CG1-CG1 3.89Å; V437-I446 HydrophobicContact CG1-CG2 3.72Å; I440-I446 HydrophobicContact CB-CD1 4.35Å; I440-I446 HydrophobicContact CB-CG1 4.16Å; I440-I446 HydrophobicContact CD1-CG1 4.18Å; I440-I446 HydrophobicContact CG2-CG1 4.28Å; D442-I446 WeakPolarHBondContact O-CD1 3.49Å; D442-I446 VanDerWaalsContact O-CG1 3.25Å; D442-I446 WeakPolarHBondContact O-CG1 3.31Å; D442-I446 PolarHBondContact O-N 3.45Å; L443-I446 PolarHBondContact O-N 3.29Å; I446-I449 WeakPolarHBondContact O-CB 3.45Å; I446-I449 PolarHBondContact O-N 3.14Å; I446-I450 HydrophobicContact CG2-CD1 3.73Å; I446-I450 HydrophobicContact CG2-CG1 4.45Å; I446-I450 PolarHBondContact O-N 3.43Å |
| 447 | A | 92.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L166 P281 L443 I449 I450 S451 | L166-A447 HydrophobicContact CD1-CB 3.97Å; P281-A447 HydrophobicContact CG-CB 4.06Å; L443-A447 WeakPolarHBondContact O-CB 3.23Å; L443-A447 PolarHBondContact O-N 3.4Å; A447-I449 VanDerWaalsContact C-N 3.31Å; A447-I449 PolarHBondContact O-N 3.18Å; A447-I450 PolarHBondContact O-N 2.84Å; A447-S451 PolarHBondContact O-N 3.33Å; A447-S451 PolarHBondContact O-OG 3.01Å; A447-S451 VanDerWaalsContact O-OG 3.1Å |
| 448 | P | 91.1 | Very high | 92.5 | Very high | 36 Ų | 36 | 22.9 Ų | 22.9 | 23% | 0.234 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -35 | 175.9 | -26.7 | 35.3 | 0 | 0 | 0 | 114.4 | A277 N444 I450 S451 N452 | A277-P448 HydrophobicContact CB-CB 4.04Å; A277-P448 HydrophobicContact CB-CG 4.09Å; N444-P448 WeakPolarHBondContact O-CD 3.41Å; N444-P448 WeakPolarHBondContact O-CG 3.22Å; P448-I450 VanDerWaalsContact C-N 3.34Å; P448-S451 PolarHBondContact O-N 3.35Å; P448-N452 WeakPolarHBondContact O-CB 3.48Å; P448-N452 PolarHBondContact O-N 3.44Å |
| 449 | I | 91.8 | Very high | 92.5 | Very high | 65 Ų | 65 | 23.2 Ų | 23.2 | 33% | 0.333 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.1 | -61 | 173.8 | 0 | 0 | 0 | 109.6 | V162 I440 I446 A447 N452 F453 | V162-I449 HydrophobicContact CG1-CG2 4.29Å; I440-I449 HydrophobicContact CD1-CD1 4.13Å; I446-I449 WeakPolarHBondContact O-CB 3.45Å; I446-I449 PolarHBondContact O-N 3.14Å; A447-I449 VanDerWaalsContact C-N 3.31Å; A447-I449 PolarHBondContact O-N 3.18Å; I449-N452 WeakPolarHBondContact O-CB 3.48Å; I449-N452 PolarHBondContact O-N 3.49Å; I449-F453 HydrophobicContact CG2-CD2 4Å; I449-F453 HydrophobicContact CG2-CE2 3.73Å; I449-F453 WeakPolarHBondContact O-CD2 3.47Å; I449-F453 PolarHBondContact O-N 3.33Å |
| 450 | I | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 178.3 | -69.5 | 169.2 | 0 | 0 | 0 | 110.6 | V162 L166 P281 I446 A447 P448 N452 F453 F454 | V162-I450 HydrophobicContact CB-CG1 4.11Å; V162-I450 HydrophobicContact CG1-CD1 4Å; V162-I450 HydrophobicContact CG1-CG1 3.37Å; L166-I450 HydrophobicContact CB-CD1 3.3Å; L166-I450 HydrophobicContact CD1-CD1 4.13Å; L166-I450 HydrophobicContact CD2-CD1 3.81Å; L166-I450 HydrophobicContact CG-CD1 3.95Å; P281-I450 HydrophobicContact CB-CG2 4.1Å; P281-I450 HydrophobicContact CG-CB 4.41Å; P281-I450 HydrophobicContact CG-CG2 4.15Å; I446-I450 HydrophobicContact CG2-CD1 3.73Å; I446-I450 HydrophobicContact CG2-CG1 4.45Å; I446-I450 PolarHBondContact O-N 3.43Å; A447-I450 PolarHBondContact O-N 2.84Å; P448-I450 VanDerWaalsContact C-N 3.34Å; I450-N452 VanDerWaalsContact C-N 3.26Å; I450-N452 PolarHBondContact O-N 3.12Å; I450-F453 PolarHBondContact O-N 2.97Å; I450-F454 HydrophobicContact CG2-CD2 3.44Å; I450-F454 VanDerWaalsContact CG2-CD2 3.44Å; I450-F454 HydrophobicContact CG2-CE2 3.62Å; I450-F454 WeakPolarHBondContact O-CD2 3.44Å; I450-F454 PolarHBondContact O-N 3.03Å |
| 451 | S | 93.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.4 | -43.4 | 178.1 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | A277 P281 A447 P448 L455 | A277-S451 PolarHBondContact O-OG 3.48Å; P281-S451 VanDerWaalsContact CD-OG 3.24Å; P281-S451 WeakPolarHBondContact CD-OG 3.28Å; P281-S451 WeakPolarHBondContact CG-OG 3.3Å; A447-S451 PolarHBondContact O-N 3.33Å; A447-S451 PolarHBondContact O-OG 3.01Å; A447-S451 VanDerWaalsContact O-OG 3.1Å; P448-S451 PolarHBondContact O-N 3.35Å; S451-L455 WeakPolarHBondContact O-CB 3.24Å; S451-L455 WeakPolarHBondContact O-CD1 3.3Å; S451-L455 WeakPolarHBondContact O-CG 3.48Å; S451-L455 PolarHBondContact O-N 2.62Å |
| 452 | N | 93.4 | Very high | 93 | Very high | 14 Ų | 14 | 18.4 Ų | 18.4 | 8% | 0.075 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 176.4 | -168.7 | 47.6 | 0 | 0 | 0 | 112.1 | P448 I449 I450 L455 A456 M499 A506 T510 | P448-N452 WeakPolarHBondContact O-CB 3.48Å; P448-N452 PolarHBondContact O-N 3.44Å; I449-N452 WeakPolarHBondContact O-CB 3.48Å; I449-N452 PolarHBondContact O-N 3.49Å; I450-N452 VanDerWaalsContact C-N 3.26Å; I450-N452 PolarHBondContact O-N 3.12Å; N452-L455 PolarHBondContact O-N 3.44Å; N452-A456 VanDerWaalsContact O-CB 3.29Å; N452-A456 WeakPolarHBondContact O-CB 3.39Å; N452-A456 PolarHBondContact O-N 3.19Å; N452-M499 WeakPolarHBondContact OD1-CG 3.35Å; N452-M499 PolarHBondContact OD1-SD 3.1Å; N452-A506 PolarHBondContact ND2-O 3.35Å; N452-T510 WeakPolarHBondContact ND2-CG2 3.44Å |
| 453 | F | 93.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 20.6 Ų | 20.6 | 15% | 0.145 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.3 | -38.1 | -179.1 | -72.4 | -69.2 | 0 | 0 | 0 | 113.6 | L155 F158 A159 I449 I450 S457 T510 | L155-F453 HydrophobicContact CD2-CD1 4.19Å; F158-F453 AromaticContact CD1-CD1 3.93Å; F158-F453 HydrophobicContact CD1-CD1 3.93Å; F158-F453 HydrophobicContact CD1-CD2 4.06Å; F158-F453 AromaticContact CD1-CE1 3.83Å; F158-F453 HydrophobicContact CD1-CE1 3.83Å; F158-F453 HydrophobicContact CD1-CE2 4.01Å; F158-F453 HydrophobicContact CD1-CG 4.05Å; F158-F453 AromaticContact CD1-CZ 3.88Å; F158-F453 HydrophobicContact CD1-CZ 3.88Å; F158-F453 HydrophobicContact CE1-CD1 4.32Å; F158-F453 AromaticContact CE1-CD2 3.92Å; F158-F453 HydrophobicContact CE1-CD2 3.92Å; F158-F453 AromaticContact CE1-CE1 3.88Å; F158-F453 HydrophobicContact CE1-CE1 3.88Å; F158-F453 AromaticContact CE1-CE2 3.46Å; F158-F453 HydrophobicContact CE1-CE2 3.46Å; F158-F453 VanDerWaalsContact CE1-CE2 3.46Å; F158-F453 HydrophobicContact CE1-CG 4.35Å; F158-F453 AromaticContact CE1-CZ 3.44Å; F158-F453 HydrophobicContact CE1-CZ 3.44Å; F158-F453 VanDerWaalsContact CE1-CZ 3.44Å; F158-F453 HydrophobicContact CZ-CZ 4.44Å; A159-F453 HydrophobicContact CB-CB 3.9Å; I449-F453 HydrophobicContact CG2-CD2 4Å; I449-F453 HydrophobicContact CG2-CE2 3.73Å; I449-F453 WeakPolarHBondContact O-CD2 3.47Å; I449-F453 PolarHBondContact O-N 3.33Å; I450-F453 PolarHBondContact O-N 2.97Å; F453-S457 PolarHBondContact O-N 3.03Å; F453-T510 HydrophobicContact CD1-CG2 4.18Å; F453-T510 HydrophobicContact CE1-CG2 3.73Å; F453-T510 HydrophobicContact CZ-CG2 4.17Å |
| 454 | F | 93.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.9 | -44.2 | 175.5 | -86.6 | -82.3 | 0 | 0 | 0 | 111.8 | F156 A159 A163 F280 T284 I450 A456 S457 Y458 | F156-F454 HydrophobicContact CD2-CE1 4.24Å; F156-F454 HydrophobicContact CE2-CD1 4.5Å; F156-F454 AromaticContact CE2-CE1 3.8Å; F156-F454 HydrophobicContact CE2-CE1 3.8Å; A159-F454 HydrophobicContact CB-CD1 4.49Å; A159-F454 HydrophobicContact CB-CD2 3.89Å; A159-F454 HydrophobicContact CB-CE1 4.43Å; A159-F454 HydrophobicContact CB-CE2 3.79Å; A159-F454 HydrophobicContact CB-CG 4.25Å; A159-F454 HydrophobicContact CB-CZ 4.08Å; A163-F454 HydrophobicContact CB-CE2 4.24Å; F280-F454 HydrophobicContact CE1-CB 4Å; T284-F454 HydrophobicContact CG2-CB 3.86Å; T284-F454 HydrophobicContact CG2-CD1 3.94Å; T284-F454 HydrophobicContact CG2-CD2 4.04Å; T284-F454 HydrophobicContact CG2-CE1 4.45Å; T284-F454 HydrophobicContact CG2-CG 3.69Å; I450-F454 HydrophobicContact CG2-CD2 3.44Å; I450-F454 VanDerWaalsContact CG2-CD2 3.44Å; I450-F454 HydrophobicContact CG2-CE2 3.62Å; I450-F454 WeakPolarHBondContact O-CD2 3.44Å; I450-F454 PolarHBondContact O-N 3.03Å; F454-A456 VanDerWaalsContact C-N 3.3Å; F454-A456 PolarHBondContact O-N 3.33Å; F454-S457 PolarHBondContact O-N 2.9Å; F454-S457 VanDerWaalsContact O-N 3.17Å; F454-S457 PolarHBondContact O-OG 3.1Å; F454-Y458 HydrophobicContact CB-CE2 4.47Å; F454-Y458 HydrophobicContact CD1-CE1 4.21Å; F454-Y458 AromaticContact CD1-CZ 3.96Å; F454-Y458 WeakPolarHBondContact O-CB 3.28Å; F454-Y458 VanDerWaalsContact O-CG 3.23Å; F454-Y458 PolarHBondContact O-N 3.4Å |
| 455 | L | 94.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59 | -42.3 | 174.4 | -75.7 | 168.7 | 0 | 0 | 0 | 111.5 | V114 F280 S451 N452 Y458 A459 C495 V498 M499 | V114-L455 HydrophobicContact CG1-CD2 4.09Å; F280-L455 HydrophobicContact CD1-CG 4.14Å; F280-L455 HydrophobicContact CD2-CD2 4.37Å; F280-L455 HydrophobicContact CE1-CD1 4.49Å; F280-L455 HydrophobicContact CE1-CD2 3.81Å; F280-L455 HydrophobicContact CE1-CG 3.61Å; F280-L455 HydrophobicContact CE2-CD2 3.66Å; F280-L455 HydrophobicContact CE2-CG 4.32Å; F280-L455 HydrophobicContact CZ-CD2 3.33Å; F280-L455 HydrophobicContact CZ-CG 3.71Å; S451-L455 WeakPolarHBondContact O-CB 3.24Å; S451-L455 WeakPolarHBondContact O-CD1 3.3Å; S451-L455 WeakPolarHBondContact O-CG 3.48Å; S451-L455 PolarHBondContact O-N 2.62Å; N452-L455 PolarHBondContact O-N 3.44Å; L455-Y458 PolarHBondContact O-N 2.97Å; L455-A459 VanDerWaalsContact O-CB 3.3Å; L455-A459 WeakPolarHBondContact O-CB 3.38Å; L455-A459 PolarHBondContact O-N 3.42Å; L455-C495 HydrophobicContact CD2-CB 4.37Å; L455-V498 HydrophobicContact CD1-CB 4.39Å; L455-V498 HydrophobicContact CD1-CG1 3.7Å; L455-V498 HydrophobicContact CD2-CG1 4.3Å; L455-M499 HydrophobicContact CB-CB 4.44Å; L455-M499 HydrophobicContact CB-CG 4.5Å; L455-M499 HydrophobicContact CB-SD 4.41Å; L455-M499 HydrophobicContact CD1-CB 4.37Å |
| 456 | A | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N452 F454 A459 L460 M499 I514 | N452-A456 VanDerWaalsContact O-CB 3.29Å; N452-A456 WeakPolarHBondContact O-CB 3.39Å; N452-A456 PolarHBondContact O-N 3.19Å; F454-A456 VanDerWaalsContact C-N 3.3Å; F454-A456 PolarHBondContact O-N 3.33Å; A456-A459 PolarHBondContact O-N 3.18Å; A456-L460 PolarHBondContact O-N 3.46Å; A456-L460 VanDerWaalsContact O-N 3.08Å; A456-M499 HydrophobicContact CB-SD 3.82Å; A456-I514 HydrophobicContact CB-CD1 4.06Å |
| 457 | S | 93.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 176.5 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | F453 F454 L460 I461 | F453-S457 PolarHBondContact O-N 3.03Å; F454-S457 PolarHBondContact O-N 2.9Å; F454-S457 VanDerWaalsContact O-N 3.17Å; F454-S457 PolarHBondContact O-OG 3.1Å; S457-L460 PolarHBondContact O-N 2.93Å; S457-I461 VanDerWaalsContact O-CG1 3.3Å; S457-I461 WeakPolarHBondContact O-CG1 3.26Å; S457-I461 PolarHBondContact O-N 3.39Å |
| 458 | Y | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.6 | -38.9 | 178.1 | -65.3 | -14.4 | 0 | 0 | 0 | 111.8 | V114 T115 T118 F280 I286 M287 F454 L455 L460 I461 N462 | V114-Y458 HydrophobicContact CG1-CD2 4.43Å; T115-Y458 HydrophobicContact CG2-CE2 4.31Å; T118-Y458 HydrophobicContact CG2-CD1 3.74Å; T118-Y458 HydrophobicContact CG2-CE1 4.45Å; T118-Y458 HydrophobicContact CG2-CG 3.79Å; F280-Y458 HydrophobicContact CE1-CE2 4.28Å; F280-Y458 AromaticContact CZ-CD2 3.91Å; F280-Y458 HydrophobicContact CZ-CD2 3.91Å; F280-Y458 AromaticContact CZ-CE2 3.83Å; F280-Y458 HydrophobicContact CZ-CE2 3.83Å; I286-Y458 HydrophobicContact CD1-CE1 4.23Å; I286-Y458 HydrophobicContact CG1-CE1 4.29Å; M287-Y458 HydrophobicContact CE-CD1 4.12Å; M287-Y458 HydrophobicContact CE-CE1 3.66Å; F454-Y458 HydrophobicContact CB-CE2 4.47Å; F454-Y458 HydrophobicContact CD1-CE1 4.21Å; F454-Y458 AromaticContact CD1-CZ 3.96Å; F454-Y458 WeakPolarHBondContact O-CB 3.28Å; F454-Y458 VanDerWaalsContact O-CG 3.23Å; F454-Y458 PolarHBondContact O-N 3.4Å; L455-Y458 PolarHBondContact O-N 2.97Å; Y458-L460 VanDerWaalsContact C-N 3.32Å; Y458-L460 PolarHBondContact O-N 2.84Å; Y458-I461 HydrophobicContact CD1-CD1 4.46Å; Y458-I461 PolarHBondContact O-N 3.29Å; Y458-N462 VanDerWaalsContact O-CB 3.29Å; Y458-N462 WeakPolarHBondContact O-CB 3.43Å; Y458-N462 VanDerWaalsContact O-CG 3.29Å; Y458-N462 PolarHBondContact O-N 3.27Å; Y458-N462 PolarHBondContact O-ND2 3.31Å; Y458-N462 VanDerWaalsContact O-ND2 3.08Å |
| 459 | A | 95.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 8% | 0.083 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | L455 A456 N462 Y463 C495 V496 | L455-A459 VanDerWaalsContact O-CB 3.3Å; L455-A459 WeakPolarHBondContact O-CB 3.38Å; L455-A459 PolarHBondContact O-N 3.42Å; A456-A459 PolarHBondContact O-N 3.18Å; A459-N462 PolarHBondContact O-N 3.15Å; A459-Y463 WeakPolarHBondContact O-CB 3.28Å; A459-Y463 PolarHBondContact O-N 3.01Å; A459-C495 HydrophobicContact CB-CB 3.66Å; A459-V496 HydrophobicContact CB-CG2 4.05Å |
| 460 | L | 94.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 18.2 Ų | 18.2 | 11% | 0.11 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 177.7 | -77.9 | 177.4 | 0 | 0 | 0 | 113.3 | I152 L155 A456 S457 Y458 N462 Y463 A464 I514 | I152-L460 HydrophobicContact CD1-CB 4.16Å; I152-L460 HydrophobicContact CG1-CB 3.65Å; I152-L460 HydrophobicContact CG1-CD1 4.15Å; L155-L460 HydrophobicContact CD1-CD1 3.6Å; A456-L460 PolarHBondContact O-N 3.46Å; A456-L460 VanDerWaalsContact O-N 3.08Å; S457-L460 PolarHBondContact O-N 2.93Å; Y458-L460 VanDerWaalsContact C-N 3.32Å; Y458-L460 PolarHBondContact O-N 2.84Å; L460-N462 VanDerWaalsContact C-N 3.29Å; L460-N462 PolarHBondContact O-N 2.86Å; L460-Y463 PolarHBondContact O-N 2.89Å; L460-A464 WeakPolarHBondContact O-CB 3.34Å; L460-A464 PolarHBondContact O-N 2.91Å; L460-I514 HydrophobicContact CD1-CD1 3.94Å; L460-I514 HydrophobicContact CD1-CG1 4.03Å; L460-I514 HydrophobicContact CD1-CG2 3.9Å; L460-I514 HydrophobicContact CD2-CG2 3.79Å; L460-I514 HydrophobicContact CG-CD1 4.32Å; L460-I514 HydrophobicContact CG-CG2 4.27Å |
| 461 | I | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 176 | -70.9 | 166 | 0 | 0 | 0 | 110.2 | T118 I125 L140 I152 M287 S457 Y458 C465 | T118-I461 HydrophobicContact CG2-CG2 4.39Å; I125-I461 HydrophobicContact CD1-CG2 4.02Å; L140-I461 HydrophobicContact CD2-CG1 4.17Å; I152-I461 HydrophobicContact CD1-CG1 4.04Å; I152-I461 HydrophobicContact CG1-CG1 4.48Å; I152-I461 HydrophobicContact CG2-CD1 4.19Å; I152-I461 HydrophobicContact CG2-CG1 3.86Å; M287-I461 HydrophobicContact CE-CD1 3.72Å; M287-I461 HydrophobicContact SD-CD1 3.64Å; S457-I461 VanDerWaalsContact O-CG1 3.3Å; S457-I461 WeakPolarHBondContact O-CG1 3.26Å; S457-I461 PolarHBondContact O-N 3.39Å; Y458-I461 HydrophobicContact CD1-CD1 4.46Å; Y458-I461 PolarHBondContact O-N 3.29Å; I461-C465 VanDerWaalsContact O-CB 3.3Å; I461-C465 WeakPolarHBondContact O-CB 3.46Å; I461-C465 PolarHBondContact O-N 2.93Å |
| 462 | N | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 179.8 | -77.9 | -33.4 | 0 | 0 | 0 | 112.2 | T118 S121 Y458 A459 L460 C465 F466 S488 A492 | T118-N462 WeakPolarHBondContact CA-OD1 3.36Å; T118-N462 PolarHBondContact OG1-ND2 3.3Å; S121-N462 VanDerWaalsContact CB-OD1 3.24Å; S121-N462 WeakPolarHBondContact CB-OD1 3.34Å; S121-N462 PolarHBondContact OG-OD1 3.28Å; Y458-N462 VanDerWaalsContact O-CB 3.29Å; Y458-N462 WeakPolarHBondContact O-CB 3.43Å; Y458-N462 VanDerWaalsContact O-CG 3.29Å; Y458-N462 PolarHBondContact O-N 3.27Å; Y458-N462 PolarHBondContact O-ND2 3.31Å; Y458-N462 VanDerWaalsContact O-ND2 3.08Å; A459-N462 PolarHBondContact O-N 3.15Å; L460-N462 VanDerWaalsContact C-N 3.29Å; L460-N462 PolarHBondContact O-N 2.86Å; N462-C465 PolarHBondContact O-N 3.22Å; N462-F466 PolarHBondContact O-N 3.28Å; N462-F466 VanDerWaalsContact O-N 3.1Å; N462-S488 WeakPolarHBondContact CB-O 3.16Å; N462-S488 WeakPolarHBondContact O-CB 3.41Å; N462-A492 HydrophobicContact CB-CB 3.79Å |
| 463 | Y | 95.3 | Very high | 92.2 | Very high | 104 Ų | 104 | 24.6 Ų | 24.6 | 41% | 0.408 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -67 | -44 | 178.7 | -180 | -105.3 | 0 | 0 | 0 | 112.2 | F148 A459 L460 C465 F466 D467 | F148-Y463 AromaticContact CE1-CD1 3.81Å; F148-Y463 HydrophobicContact CE1-CD1 3.81Å; F148-Y463 HydrophobicContact CE1-CE1 4.04Å; F148-Y463 HydrophobicContact CZ-CD1 4.02Å; F148-Y463 AromaticContact CZ-CE1 3.89Å; F148-Y463 HydrophobicContact CZ-CE1 3.89Å; A459-Y463 WeakPolarHBondContact O-CB 3.28Å; A459-Y463 PolarHBondContact O-N 3.01Å; L460-Y463 PolarHBondContact O-N 2.89Å; Y463-C465 VanDerWaalsContact C-N 3.31Å; Y463-C465 PolarHBondContact O-N 3.45Å; Y463-F466 HydrophobicContact CD2-CD1 4.4Å; Y463-F466 HydrophobicContact CE2-CD1 4.37Å; Y463-F466 WeakPolarHBondContact O-CB 3.45Å; Y463-F466 PolarHBondContact O-N 3Å; Y463-F466 VanDerWaalsContact O-N 3.14Å; Y463-D467 WeakPolarHBondContact O-CB 3.26Å; Y463-D467 PolarHBondContact O-N 3.43Å |
| 464 | A | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L144 F148 I152 L460 F466 D467 A468 | L144-A464 HydrophobicContact CB-CB 4.38Å; L144-A464 HydrophobicContact CD1-CB 3.63Å; L144-A464 HydrophobicContact CD2-CB 3.86Å; L144-A464 HydrophobicContact CG-CB 4.16Å; F148-A464 HydrophobicContact CB-CB 3.93Å; F148-A464 HydrophobicContact CD1-CB 3.64Å; F148-A464 HydrophobicContact CD2-CB 3.95Å; F148-A464 HydrophobicContact CE1-CB 4.1Å; F148-A464 HydrophobicContact CE2-CB 4.36Å; F148-A464 HydrophobicContact CG-CB 3.57Å; F148-A464 HydrophobicContact CZ-CB 4.42Å; I152-A464 HydrophobicContact CD1-CB 4.44Å; L460-A464 WeakPolarHBondContact O-CB 3.34Å; L460-A464 PolarHBondContact O-N 2.91Å; A464-F466 VanDerWaalsContact C-N 3.33Å; A464-F466 PolarHBondContact O-N 3.46Å; A464-D467 PolarHBondContact O-N 3.42Å; A464-A468 VanDerWaalsContact O-CB 3.3Å; A464-A468 WeakPolarHBondContact O-CB 3.31Å; A464-A468 PolarHBondContact O-N 3.01Å |
| 465 | C | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 175 | -165.1 | 0 | 0 | 0 | 0 | 112.1 | I125 I461 N462 Y463 S469 F476 Y483 | I125-C465 HydrophobicContact CD1-CB 4.5Å; I461-C465 VanDerWaalsContact O-CB 3.3Å; I461-C465 WeakPolarHBondContact O-CB 3.46Å; I461-C465 PolarHBondContact O-N 2.93Å; N462-C465 PolarHBondContact O-N 3.22Å; Y463-C465 VanDerWaalsContact C-N 3.31Å; Y463-C465 PolarHBondContact O-N 3.45Å; C465-S469 PolarHBondContact O-N 3.08Å; C465-S469 PolarHBondContact O-OG 3.37Å; C465-F476 VanDerWaalsContact SG-CZ 3.57Å; C465-Y483 PolarHBondContact O-OH 3.45Å; C465-Y483 WeakPolarHBondContact SG-CE2 3.11Å; C465-Y483 PolarHBondContact SG-OH 3.48Å |
| 466 | F | 95 | Very high | 90.6 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -48.7 | 173 | 165.7 | -99.9 | 0 | 0 | 0 | 111.8 | N462 Y463 A464 S469 Y470 K485 W486 L489 | N462-F466 PolarHBondContact O-N 3.28Å; N462-F466 VanDerWaalsContact O-N 3.1Å; Y463-F466 HydrophobicContact CD2-CD1 4.4Å; Y463-F466 HydrophobicContact CE2-CD1 4.37Å; Y463-F466 WeakPolarHBondContact O-CB 3.45Å; Y463-F466 PolarHBondContact O-N 3Å; Y463-F466 VanDerWaalsContact O-N 3.14Å; A464-F466 VanDerWaalsContact C-N 3.33Å; A464-F466 PolarHBondContact O-N 3.46Å; F466-S469 PolarHBondContact O-N 3.4Å; F466-Y470 HydrophobicContact CZ-CD2 4.27Å; F466-Y470 HydrophobicContact CZ-CG 4.38Å; F466-Y470 WeakPolarHBondContact O-CB 3.4Å; F466-Y470 PolarHBondContact O-N 2.99Å; F466-K485 HydrophobicContact CD2-CB 4.11Å; F466-K485 WeakPolarHBondContact CD2-O 3.48Å; F466-W486 HydrophobicContact CE2-CE3 4Å; F466-W486 AromaticContact CE2-CZ3 3.95Å; F466-W486 HydrophobicContact CE2-CZ3 3.95Å; F466-W486 HydrophobicContact CZ-CZ3 4.27Å; F466-L489 HydrophobicContact CB-CB 4.45Å; F466-L489 HydrophobicContact CD1-CD1 3.94Å; F466-L489 HydrophobicContact CD2-CB 3.8Å; F466-L489 HydrophobicContact CD2-CD2 4.45Å; F466-L489 HydrophobicContact CE1-CD1 4.02Å; F466-L489 HydrophobicContact CE1-CD2 4.36Å; F466-L489 HydrophobicContact CE2-CB 4.13Å; F466-L489 HydrophobicContact CE2-CD2 3.95Å; F466-L489 HydrophobicContact CE2-CG 4.48Å; F466-L489 HydrophobicContact CG-CB 4.01Å; F466-L489 HydrophobicContact CG-CD1 4.23Å; F466-L489 HydrophobicContact CZ-CD1 4.38Å; F466-L489 HydrophobicContact CZ-CD2 3.9Å |
| 467 | D | 92.5 | Very high | 90.4 | Very high | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | -178.2 | -172.8 | 60.4 | 0 | 0 | 0 | 111.8 | F148 Y463 A464 S469 Y470 S471 S533 H537 | F148-D467 HydrophobicContact CE2-CB 4.42Å; F148-D467 HydrophobicContact CZ-CB 4.41Å; Y463-D467 WeakPolarHBondContact O-CB 3.26Å; Y463-D467 PolarHBondContact O-N 3.43Å; A464-D467 PolarHBondContact O-N 3.42Å; D467-S469 VanDerWaalsContact C-N 3.33Å; D467-S469 PolarHBondContact O-N 2.99Å; D467-Y470 PolarHBondContact O-N 2.92Å; D467-Y470 VanDerWaalsContact O-N 3.12Å; D467-S471 WeakPolarHBondContact O-CB 3.27Å; D467-S471 PolarHBondContact O-N 3.48Å; D467-S471 PolarHBondContact O-OG 3.29Å; D467-S533 WeakPolarHBondContact OD2-CB 3.33Å; D467-S533 PolarHBondContact OD2-OG 3.03Å; D467-H537 IonicContact OD1-NE2 3.85Å |
| 468 | A | 89.9 | Confident | 90.2 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L144 A464 S471 F476 | L144-A468 HydrophobicContact CD2-CB 4.3Å; A464-A468 VanDerWaalsContact O-CB 3.3Å; A464-A468 WeakPolarHBondContact O-CB 3.31Å; A464-A468 PolarHBondContact O-N 3.01Å; A468-S471 PolarHBondContact O-OG 2.87Å; A468-F476 HydrophobicContact CB-CB 4.08Å; A468-F476 HydrophobicContact CB-CD1 3.8Å; A468-F476 HydrophobicContact CB-CD2 3.78Å; A468-F476 HydrophobicContact CB-CE1 4.21Å; A468-F476 HydrophobicContact CB-CE2 4.19Å; A468-F476 HydrophobicContact CB-CG 3.59Å; A468-F476 HydrophobicContact CB-CZ 4.4Å |
| 469 | S | 92 | Very high | 89.9 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.5 | -34.9 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | C465 F466 D467 Q472 F476 Y483 | C465-S469 PolarHBondContact O-N 3.08Å; C465-S469 PolarHBondContact O-OG 3.37Å; F466-S469 PolarHBondContact O-N 3.4Å; D467-S469 VanDerWaalsContact C-N 3.33Å; D467-S469 PolarHBondContact O-N 2.99Å; S469-Q472 PolarHBondContact O-N 2.9Å; S469-F476 VanDerWaalsContact OG-CE1 3.26Å; S469-F476 WeakPolarHBondContact OG-CE1 3.27Å; S469-Y483 WeakPolarHBondContact OG-CE1 3.45Å; S469-Y483 PolarHBondContact OG-OH 3.31Å |
| 470 | Y | 91.8 | Very high | 89.7 | Confident | 118 Ų | 118 | 46.7 Ų | 46.7 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.7 | -36.9 | -178.8 | -173.1 | -102 | 0 | 0 | 0 | 112.3 | F466 D467 Q472 H537 R540 | F466-Y470 HydrophobicContact CZ-CD2 4.27Å; F466-Y470 HydrophobicContact CZ-CG 4.38Å; F466-Y470 WeakPolarHBondContact O-CB 3.4Å; F466-Y470 PolarHBondContact O-N 2.99Å; D467-Y470 PolarHBondContact O-N 2.92Å; D467-Y470 VanDerWaalsContact O-N 3.12Å; Y470-Q472 PolarHBondContact O-N 2.73Å; Y470-H537 AromaticContact CD1-CE1 3.88Å; Y470-R540 PolarHBondContact O-NH1 2.99Å; Y470-R540 VanDerWaalsContact O-NH1 3.14Å |
| 471 | S | 86 | Confident | 89.5 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -19 | 173.9 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | D467 A468 S473 H537 | D467-S471 WeakPolarHBondContact O-CB 3.27Å; D467-S471 PolarHBondContact O-N 3.48Å; D467-S471 PolarHBondContact O-OG 3.29Å; A468-S471 PolarHBondContact O-OG 2.87Å; S471-S473 PolarHBondContact O-N 2.95Å; S471-S473 WeakPolarHBondContact OG-CB 3.33Å; S471-S473 PolarHBondContact OG-N 3.43Å; S471-S473 PolarHBondContact OG-OG 3.46Å; S471-H537 VanDerWaalsContact CA-CE1 3.4Å; S471-H537 WeakPolarHBondContact CA-CE1 3.4Å; S471-H537 VanDerWaalsContact CB-NE2 3.27Å; S471-H537 WeakPolarHBondContact CB-NE2 3.4Å |
| 472 | Q | 83.8 | Confident | 89.4 | Confident | 128 Ų | 128 | 61.9 Ų | 61.9 | 60% | 0.598 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 34.8 | -171.8 | -60.8 | -179.2 | -35.7 | 0 | 0 | 111.9 | S469 Y470 P474 | S469-Q472 PolarHBondContact O-N 2.9Å; Y470-Q472 PolarHBondContact O-N 2.73Å; Q472-P474 WeakPolarHBondContact O-CD 3.31Å |
| 473 | S | 78.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | trans | -59.6 | 122.4 | 176.8 | -72.3 | 0 | 0 | 0 | 0 | 110.3 | S471 G475 F476 A536 | S471-S473 PolarHBondContact O-N 2.95Å; S471-S473 WeakPolarHBondContact OG-CB 3.33Å; S471-S473 PolarHBondContact OG-N 3.43Å; S471-S473 PolarHBondContact OG-OG 3.46Å; S473-G475 PolarHBondContact O-N 2.88Å; S473-F476 PolarHBondContact O-N 3.36Å; S473-A536 WeakPolarHBondContact OG-CB 3.22Å | ||
| 474 | P | 78 | Confident | 89.2 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 65% | 0.649 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.5 | 178 | -24.8 | 34.1 | 0 | 0 | 0 | 113.9 | Q472 F476 R477 | Q472-P474 WeakPolarHBondContact O-CD 3.31Å; P474-F476 VanDerWaalsContact C-N 3.32Å; P474-R477 VanDerWaalsContact O-CZ 3.23Å; P474-R477 PolarHBondContact O-NE 2.86Å; P474-R477 PolarHBondContact O-NH2 3.45Å |
| 475 | G | 81.8 | Confident | 89.2 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N128 S473 | N128-G475 PolarHBondContact ND2-O 2.77Å; N128-G475 VanDerWaalsContact ND2-O 3.11Å; N128-G475 PolarHBondContact OD1-O 3.26Å; S473-G475 PolarHBondContact O-N 2.88Å |
| 476 | F | 86.6 | Confident | 89.4 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 7% | 0.066 | 36% | 0.361 | C | S | . | . | trans | -112.6 | 93.2 | -179.5 | -164 | -96.4 | 0 | 0 | 0 | 110.4 | I125 N128 L144 C465 A468 S469 S473 P474 P478 | I125-F476 HydrophobicContact CG1-CE2 4.34Å; I125-F476 HydrophobicContact CG1-CZ 4.48Å; N128-F476 WeakPolarHBondContact OD1-CA 3.35Å; L144-F476 HydrophobicContact CD2-CE2 4.21Å; C465-F476 VanDerWaalsContact SG-CZ 3.57Å; A468-F476 HydrophobicContact CB-CB 4.08Å; A468-F476 HydrophobicContact CB-CD1 3.8Å; A468-F476 HydrophobicContact CB-CD2 3.78Å; A468-F476 HydrophobicContact CB-CE1 4.21Å; A468-F476 HydrophobicContact CB-CE2 4.19Å; A468-F476 HydrophobicContact CB-CG 3.59Å; A468-F476 HydrophobicContact CB-CZ 4.4Å; S469-F476 VanDerWaalsContact OG-CE1 3.26Å; S469-F476 WeakPolarHBondContact OG-CE1 3.27Å; S473-F476 PolarHBondContact O-N 3.36Å; P474-F476 VanDerWaalsContact C-N 3.32Å; F476-P478 HydrophobicContact CD1-CG 4.3Å; F476-P478 HydrophobicContact CE1-CB 4.48Å; F476-P478 HydrophobicContact CE1-CG 3.81Å; F476-P478 HydrophobicContact CZ-CG 4.42Å | ||
| 477 | R | 89.6 | Confident | 89.4 | Confident | 189 Ų | 189 | 74.6 Ų | 74.6 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | trans | -129 | 71.6 | -178.5 | -75 | 179.3 | -90.6 | 176.2 | -8.6 | 110 | N128 P474 A479 | N128-R477 PolarHBondContact OD1-N 3.26Å; P474-R477 VanDerWaalsContact O-CZ 3.23Å; P474-R477 PolarHBondContact O-NE 2.86Å; P474-R477 PolarHBondContact O-NH2 3.45Å; R477-A479 PolarHBondContact O-N 3.47Å | ||
| 478 | P | 89.4 | Confident | 89.5 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 22% | 0.221 | 37% | 0.368 | C | S | . | . | trans | -62.2 | 124.4 | -177.8 | 26.4 | -34.6 | 0 | 0 | 0 | 110.7 | A124 F476 F480 Y483 | A124-P478 HydrophobicContact CB-CB 3.7Å; A124-P478 HydrophobicContact CB-CG 4.47Å; A124-P478 WeakPolarHBondContact O-CB 3.47Å; F476-P478 HydrophobicContact CD1-CG 4.3Å; F476-P478 HydrophobicContact CE1-CB 4.48Å; F476-P478 HydrophobicContact CE1-CG 3.81Å; F476-P478 HydrophobicContact CZ-CG 4.42Å; P478-F480 VanDerWaalsContact C-N 3.31Å; P478-Y483 HydrophobicContact CB-CD1 4.15Å; P478-Y483 HydrophobicContact CG-CD1 3.59Å; P478-Y483 HydrophobicContact CG-CE1 3.68Å | ||
| 479 | A | 89.9 | Confident | 89.8 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 69% | 0.694 | 38% | 0.379 | S | S | * | . | trans | -84.2 | -6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T127 R477 K481 | T127-A479 PolarHBondContact OG1-N 3.23Å; R477-A479 PolarHBondContact O-N 3.47Å; A479-K481 PolarHBondContact O-N 3.03Å | ||
| 480 | F | 90.9 | Very high | 90.1 | Very high | 32 Ų | 32 | 78.3 Ų | 78.3 | 14% | 0.14 | 39% | 0.394 | C | S | . | . | trans | -70.9 | 117.5 | -176.5 | -173 | -117.6 | 0 | 0 | 0 | 112.7 | L120 C123 T127 P304 I308 P478 Y482 Y483 | L120-F480 HydrophobicContact CD2-CE1 3.68Å; L120-F480 HydrophobicContact CD2-CZ 4.24Å; C123-F480 HydrophobicContact CB-CD1 3.68Å; C123-F480 HydrophobicContact CB-CD2 4.13Å; C123-F480 HydrophobicContact CB-CE1 3.77Å; C123-F480 HydrophobicContact CB-CE2 4.23Å; C123-F480 HydrophobicContact CB-CG 3.87Å; C123-F480 HydrophobicContact CB-CZ 4.06Å; T127-F480 HydrophobicContact CG2-CB 4.22Å; T127-F480 WeakPolarHBondContact OG1-CB 3.3Å; T127-F480 PolarHBondContact OG1-N 3.18Å; P304-F480 HydrophobicContact CB-CD2 4.24Å; P304-F480 HydrophobicContact CB-CE2 3.85Å; P304-F480 HydrophobicContact CG-CD2 4.45Å; I308-F480 HydrophobicContact CD1-CZ 3.79Å; P478-F480 VanDerWaalsContact C-N 3.31Å; F480-Y482 VanDerWaalsContact C-N 3.33Å; F480-Y482 HydrophobicContact CE1-CD2 4.4Å; F480-Y482 HydrophobicContact CE2-CD2 4.22Å; F480-Y482 AromaticContact CZ-CD2 3.85Å; F480-Y482 HydrophobicContact CZ-CD2 3.85Å; F480-Y482 HydrophobicContact CZ-CG 4.44Å; F480-Y482 PolarHBondContact O-N 3.26Å; F480-Y483 WeakPolarHBondContact O-CB 3.37Å; F480-Y483 PolarHBondContact O-N 3.38Å | ||
| 481 | K | 90.7 | Very high | 90.2 | Very high | 181 Ų | 181 | 72.7 Ų | 72.7 | 79% | 0.787 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.4 | -172.6 | -173.4 | 179 | 179.7 | -178.8 | 0 | 115 | A479 Y483 | A479-K481 PolarHBondContact O-N 3.03Å; K481-Y483 VanDerWaalsContact C-N 3.33Å |
| 482 | Y | 92.3 | Very high | 90.7 | Very high | 160 Ų | 160 | 73 Ų | 73 | 63% | 0.627 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 7 | -175.3 | -57.8 | -76.3 | 0 | 0 | 0 | 113.4 | F480 | F480-Y482 VanDerWaalsContact C-N 3.33Å; F480-Y482 HydrophobicContact CE1-CD2 4.4Å; F480-Y482 HydrophobicContact CE2-CD2 4.22Å; F480-Y482 AromaticContact CZ-CD2 3.85Å; F480-Y482 HydrophobicContact CZ-CD2 3.85Å; F480-Y482 HydrophobicContact CZ-CG 4.44Å; F480-Y482 PolarHBondContact O-N 3.26Å |
| 483 | Y | 93.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 14% | 0.137 | 37% | 0.365 | C | S | . | . | trans | -77.3 | 136.1 | 176.5 | 174.6 | -109.7 | 0 | 0 | 0 | 111.8 | A124 C465 S469 P478 F480 K481 S488 | A124-Y483 HydrophobicContact CB-CD1 4.1Å; A124-Y483 HydrophobicContact CB-CD2 3.28Å; A124-Y483 HydrophobicContact CB-CE1 4.47Å; A124-Y483 HydrophobicContact CB-CE2 3.7Å; A124-Y483 HydrophobicContact CB-CG 3.5Å; C465-Y483 PolarHBondContact O-OH 3.45Å; C465-Y483 WeakPolarHBondContact SG-CE2 3.11Å; C465-Y483 PolarHBondContact SG-OH 3.48Å; S469-Y483 WeakPolarHBondContact OG-CE1 3.45Å; S469-Y483 PolarHBondContact OG-OH 3.31Å; P478-Y483 HydrophobicContact CB-CD1 4.15Å; P478-Y483 HydrophobicContact CG-CD1 3.59Å; P478-Y483 HydrophobicContact CG-CE1 3.68Å; F480-Y483 WeakPolarHBondContact O-CB 3.37Å; F480-Y483 PolarHBondContact O-N 3.38Å; K481-Y483 VanDerWaalsContact C-N 3.33Å; Y483-S488 VanDerWaalsContact CE2-OG 3.23Å; Y483-S488 WeakPolarHBondContact CE2-OG 3.48Å | ||
| 484 | N | 94.7 | Very high | 92.1 | Very high | 81 Ų | 81 | 71 Ų | 71 | 43% | 0.433 | 37% | 0.373 | S | S | . | . | trans | -141.3 | 129.5 | 168.8 | -177.4 | -13.7 | 0 | 0 | 0 | 109.7 | W486 L487 S488 | N484-W486 VanDerWaalsContact C-N 3.27Å; N484-W486 PolarHBondContact O-N 3.07Å; N484-W486 PolarHBondContact OD1-N 3.34Å; N484-W486 VanDerWaalsContact OD1-N 3.1Å; N484-L487 HydrophobicContact CB-CB 4.07Å; N484-L487 VanDerWaalsContact O-CB 3.3Å; N484-L487 WeakPolarHBondContact O-CB 3.47Å; N484-L487 PolarHBondContact O-N 3.29Å; N484-S488 PolarHBondContact O-N 3.23Å | ||
| 485 | K | 94 | Very high | 92.9 | Very high | 71 Ų | 71 | 66.3 Ų | 66.3 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55.4 | -38.6 | -179.9 | 67.7 | -174.9 | 179.3 | -176.4 | 0 | 113.5 | F466 L487 S488 L489 | F466-K485 HydrophobicContact CD2-CB 4.11Å; F466-K485 WeakPolarHBondContact CD2-O 3.48Å; K485-L487 VanDerWaalsContact C-N 3.29Å; K485-L487 PolarHBondContact O-N 3.02Å; K485-S488 WeakPolarHBondContact O-CB 3.29Å; K485-S488 PolarHBondContact O-N 3.4Å; K485-L489 PolarHBondContact O-N 3.41Å |
| 486 | W | 96.3 | Very high | 93.5 | Very high | 143 Ų | 143 | 65.5 Ų | 65.5 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.6 | -29 | -179.2 | -62.9 | 115.5 | 0 | 0 | 0 | 112.3 | F466 N484 L489 C490 | F466-W486 HydrophobicContact CE2-CE3 4Å; F466-W486 AromaticContact CE2-CZ3 3.95Å; F466-W486 HydrophobicContact CE2-CZ3 3.95Å; F466-W486 HydrophobicContact CZ-CZ3 4.27Å; N484-W486 VanDerWaalsContact C-N 3.27Å; N484-W486 PolarHBondContact O-N 3.07Å; N484-W486 PolarHBondContact OD1-N 3.34Å; N484-W486 VanDerWaalsContact OD1-N 3.1Å; W486-L489 HydrophobicContact CE3-CD2 3.85Å; W486-L489 HydrophobicContact CZ3-CD2 3.87Å; W486-L489 PolarHBondContact O-N 3.07Å; W486-C490 WeakPolarHBondContact O-CB 3.4Å; W486-C490 PolarHBondContact O-N 2.82Å |
| 487 | L | 95 | Very high | 93.8 | Very high | 63 Ų | 63 | 68.3 Ų | 68.3 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 174.3 | -167.9 | 63.4 | 0 | 0 | 0 | 110.7 | L117 L120 N484 K485 C490 G491 | L117-L487 HydrophobicContact CD2-CD1 3.22Å; L117-L487 HydrophobicContact CD2-CD2 3.98Å; L117-L487 HydrophobicContact CD2-CG 3.35Å; L120-L487 HydrophobicContact CD1-CD2 3.44Å; L120-L487 VanDerWaalsContact CD1-CD2 3.44Å; N484-L487 HydrophobicContact CB-CB 4.07Å; N484-L487 VanDerWaalsContact O-CB 3.3Å; N484-L487 WeakPolarHBondContact O-CB 3.47Å; N484-L487 PolarHBondContact O-N 3.29Å; K485-L487 VanDerWaalsContact C-N 3.29Å; K485-L487 PolarHBondContact O-N 3.02Å; L487-C490 PolarHBondContact O-N 3.11Å; L487-G491 PolarHBondContact O-N 2.8Å |
| 488 | S | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 170.2 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | S121 N462 Y483 N484 K485 C490 G491 A492 | S121-S488 WeakPolarHBondContact OG-CB 3.49Å; S121-S488 PolarHBondContact OG-OG 2.91Å; N462-S488 WeakPolarHBondContact CB-O 3.16Å; N462-S488 WeakPolarHBondContact O-CB 3.41Å; Y483-S488 VanDerWaalsContact CE2-OG 3.23Å; Y483-S488 WeakPolarHBondContact CE2-OG 3.48Å; N484-S488 PolarHBondContact O-N 3.23Å; K485-S488 WeakPolarHBondContact O-CB 3.29Å; K485-S488 PolarHBondContact O-N 3.4Å; S488-C490 VanDerWaalsContact C-N 3.33Å; S488-C490 PolarHBondContact O-N 3.13Å; S488-G491 PolarHBondContact O-N 3.46Å; S488-A492 PolarHBondContact O-N 3.06Å |
| 489 | L | 96.7 | Very high | 94 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 29% | 0.293 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 175.5 | -176.1 | 64.4 | 0 | 0 | 0 | 111.8 | F466 K485 W486 G491 A492 A493 | F466-L489 HydrophobicContact CB-CB 4.45Å; F466-L489 HydrophobicContact CD1-CD1 3.94Å; F466-L489 HydrophobicContact CD2-CB 3.8Å; F466-L489 HydrophobicContact CD2-CD2 4.45Å; F466-L489 HydrophobicContact CE1-CD1 4.02Å; F466-L489 HydrophobicContact CE1-CD2 4.36Å; F466-L489 HydrophobicContact CE2-CB 4.13Å; F466-L489 HydrophobicContact CE2-CD2 3.95Å; F466-L489 HydrophobicContact CE2-CG 4.48Å; F466-L489 HydrophobicContact CG-CB 4.01Å; F466-L489 HydrophobicContact CG-CD1 4.23Å; F466-L489 HydrophobicContact CZ-CD1 4.38Å; F466-L489 HydrophobicContact CZ-CD2 3.9Å; K485-L489 PolarHBondContact O-N 3.41Å; W486-L489 HydrophobicContact CE3-CD2 3.85Å; W486-L489 HydrophobicContact CZ3-CD2 3.87Å; W486-L489 PolarHBondContact O-N 3.07Å; L489-G491 VanDerWaalsContact C-N 3.35Å; L489-A492 PolarHBondContact O-N 3.12Å; L489-A493 PolarHBondContact O-N 3.01Å |
| 490 | C | 96.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 58 Ų | 58 | 47% | 0.473 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | W486 L487 S488 A492 A493 L494 | W486-C490 WeakPolarHBondContact O-CB 3.4Å; W486-C490 PolarHBondContact O-N 2.82Å; L487-C490 PolarHBondContact O-N 3.11Å; S488-C490 VanDerWaalsContact C-N 3.33Å; S488-C490 PolarHBondContact O-N 3.13Å; C490-A492 PolarHBondContact O-N 2.81Å; C490-A493 PolarHBondContact O-N 3.33Å; C490-L494 WeakPolarHBondContact O-CB 3.24Å; C490-L494 PolarHBondContact O-N 2.96Å |
| 491 | G | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L487 S488 L489 L494 C495 | L487-G491 PolarHBondContact O-N 2.8Å; S488-G491 PolarHBondContact O-N 3.46Å; L489-G491 VanDerWaalsContact C-N 3.35Å; G491-L494 PolarHBondContact O-N 3.18Å; G491-C495 PolarHBondContact O-N 3.27Å; G491-C495 PolarHBondContact O-SG 3.27Å |
| 492 | A | 96.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N462 S488 L489 C490 L494 C495 V496 | N462-A492 HydrophobicContact CB-CB 3.79Å; S488-A492 PolarHBondContact O-N 3.06Å; L489-A492 PolarHBondContact O-N 3.12Å; C490-A492 PolarHBondContact O-N 2.81Å; A492-L494 PolarHBondContact O-N 2.88Å; A492-C495 PolarHBondContact O-N 3.37Å; A492-V496 WeakPolarHBondContact O-CG2 3.33Å; A492-V496 PolarHBondContact O-N 3.23Å; A492-V496 VanDerWaalsContact O-N 3.07Å |
| 493 | A | 96 | Very high | 93.5 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L489 C490 C495 V496 C497 | L489-A493 PolarHBondContact O-N 3.01Å; C490-A493 PolarHBondContact O-N 3.33Å; A493-C495 PolarHBondContact O-N 3.31Å; A493-V496 PolarHBondContact O-N 3.44Å; A493-C497 WeakPolarHBondContact O-CB 3.41Å; A493-C497 PolarHBondContact O-N 3.31Å; A493-C497 PolarHBondContact O-SG 2.99Å |
| 494 | L | 94.8 | Very high | 93.4 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.1 | -174 | 66 | 0 | 0 | 0 | 111.5 | V114 L117 C490 G491 A492 V496 C497 V498 | V114-L494 HydrophobicContact CG2-CD2 3.5Å; V114-L494 VanDerWaalsContact CG2-CD2 3.5Å; V114-L494 HydrophobicContact CG2-CG 3.81Å; L117-L494 HydrophobicContact CD1-CD2 4.17Å; C490-L494 WeakPolarHBondContact O-CB 3.24Å; C490-L494 PolarHBondContact O-N 2.96Å; G491-L494 PolarHBondContact O-N 3.18Å; A492-L494 PolarHBondContact O-N 2.88Å; L494-V496 PolarHBondContact O-N 3.43Å; L494-C497 PolarHBondContact O-N 3.5Å; L494-V498 HydrophobicContact CD1-CG2 4.41Å; L494-V498 WeakPolarHBondContact O-CB 3.36Å; L494-V498 VanDerWaalsContact O-CG2 3.23Å; L494-V498 WeakPolarHBondContact O-CG2 3.4Å; L494-V498 PolarHBondContact O-N 3.46Å |
| 495 | C | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 176.7 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | L455 A459 G491 A492 A493 V498 M499 | L455-C495 HydrophobicContact CD2-CB 4.37Å; A459-C495 HydrophobicContact CB-CB 3.66Å; G491-C495 PolarHBondContact O-N 3.27Å; G491-C495 PolarHBondContact O-SG 3.27Å; A492-C495 PolarHBondContact O-N 3.37Å; A493-C495 PolarHBondContact O-N 3.31Å; C495-V498 PolarHBondContact O-N 3.03Å; C495-M499 VanDerWaalsContact O-CB 3.26Å; C495-M499 WeakPolarHBondContact O-CB 3.48Å; C495-M499 PolarHBondContact O-N 2.91Å |
| 496 | V | 94.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 179.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | A459 A492 A493 L494 M499 I500 | A459-V496 HydrophobicContact CB-CG2 4.05Å; A492-V496 WeakPolarHBondContact O-CG2 3.33Å; A492-V496 PolarHBondContact O-N 3.23Å; A492-V496 VanDerWaalsContact O-N 3.07Å; A493-V496 PolarHBondContact O-N 3.44Å; L494-V496 PolarHBondContact O-N 3.43Å; V496-M499 WeakPolarHBondContact O-CB 3.27Å; V496-M499 PolarHBondContact O-N 3.05Å; V496-I500 HydrophobicContact CG1-CD1 3.78Å; V496-I500 HydrophobicContact CG1-CG1 4.41Å; V496-I500 WeakPolarHBondContact O-CG1 3.42Å; V496-I500 PolarHBondContact O-N 3.41Å |
| 497 | C | 93 | Very high | 92.9 | Very high | 74 Ų | 74 | 48.7 Ų | 48.7 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 176.5 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | A493 L494 M499 I500 V501 | A493-C497 WeakPolarHBondContact O-CB 3.41Å; A493-C497 PolarHBondContact O-N 3.31Å; A493-C497 PolarHBondContact O-SG 2.99Å; L494-C497 PolarHBondContact O-N 3.5Å; C497-M499 VanDerWaalsContact C-N 3.29Å; C497-M499 PolarHBondContact O-N 3.48Å; C497-I500 PolarHBondContact O-N 3.49Å; C497-V501 VanDerWaalsContact O-CG2 3.24Å; C497-V501 WeakPolarHBondContact O-CG2 3.35Å; C497-V501 PolarHBondContact O-N 2.77Å |
| 498 | V | 91.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 178.7 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | F276 L455 L494 C495 V501 S502 | F276-V498 HydrophobicContact CD1-CG1 3.75Å; F276-V498 HydrophobicContact CE1-CG1 3.14Å; F276-V498 HydrophobicContact CZ-CG1 3.71Å; L455-V498 HydrophobicContact CD1-CB 4.39Å; L455-V498 HydrophobicContact CD1-CG1 3.7Å; L455-V498 HydrophobicContact CD2-CG1 4.3Å; L494-V498 HydrophobicContact CD1-CG2 4.41Å; L494-V498 WeakPolarHBondContact O-CB 3.36Å; L494-V498 VanDerWaalsContact O-CG2 3.23Å; L494-V498 WeakPolarHBondContact O-CG2 3.4Å; L494-V498 PolarHBondContact O-N 3.46Å; C495-V498 PolarHBondContact O-N 3.03Å; V498-V501 PolarHBondContact O-N 2.99Å; V498-S502 VanDerWaalsContact O-CB 3.24Å; V498-S502 WeakPolarHBondContact O-CB 3.35Å; V498-S502 PolarHBondContact O-N 3.19Å |
| 499 | M | 92.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 178.2 | -163.5 | 172.7 | 76.8 | 0 | 0 | 112.1 | N452 L455 A456 C495 V496 C497 N503 S507 L511 | N452-M499 WeakPolarHBondContact OD1-CG 3.35Å; N452-M499 PolarHBondContact OD1-SD 3.1Å; L455-M499 HydrophobicContact CB-CB 4.44Å; L455-M499 HydrophobicContact CB-CG 4.5Å; L455-M499 HydrophobicContact CB-SD 4.41Å; L455-M499 HydrophobicContact CD1-CB 4.37Å; A456-M499 HydrophobicContact CB-SD 3.82Å; C495-M499 VanDerWaalsContact O-CB 3.26Å; C495-M499 WeakPolarHBondContact O-CB 3.48Å; C495-M499 PolarHBondContact O-N 2.91Å; V496-M499 WeakPolarHBondContact O-CB 3.27Å; V496-M499 PolarHBondContact O-N 3.05Å; C497-M499 VanDerWaalsContact C-N 3.29Å; C497-M499 PolarHBondContact O-N 3.48Å; M499-N503 PolarHBondContact O-N 3.14Å; M499-N503 VanDerWaalsContact O-N 3.1Å; M499-S507 WeakPolarHBondContact CE-OG 3.23Å; M499-L511 HydrophobicContact CE-CD1 3.99Å; M499-L511 HydrophobicContact CE-CD2 3.75Å; M499-L511 HydrophobicContact CE-CG 3.62Å |
| 500 | I | 92 | Very high | 92.5 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.8 | -67.7 | 169.3 | 0 | 0 | 0 | 111.3 | V496 C497 S502 N503 W504 S507 | V496-I500 HydrophobicContact CG1-CD1 3.78Å; V496-I500 HydrophobicContact CG1-CG1 4.41Å; V496-I500 WeakPolarHBondContact O-CG1 3.42Å; V496-I500 PolarHBondContact O-N 3.41Å; C497-I500 PolarHBondContact O-N 3.49Å; I500-S502 VanDerWaalsContact C-N 3.34Å; I500-N503 CarbonylContact O-C 3.33Å; I500-W504 HydrophobicContact CG2-CB 4.35Å; I500-W504 VanDerWaalsContact O-CA 3.31Å; I500-W504 WeakPolarHBondContact O-CA 3.28Å; I500-W504 WeakPolarHBondContact O-CB 3.48Å; I500-W504 PolarHBondContact O-N 2.84Å; I500-W504 VanDerWaalsContact O-N 3.13Å; I500-S507 WeakPolarHBondContact CG1-OG 3.3Å |
| 501 | V | 90 | Very high | 92.3 | Very high | 78 Ų | 78 | 51.6 Ų | 51.6 | 47% | 0.473 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.1 | -31 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | F273 C497 V498 | F273-V501 HydrophobicContact CB-CG1 4.31Å; F273-V501 HydrophobicContact CD1-CB 4.18Å; F273-V501 HydrophobicContact CD1-CG1 3.56Å; F273-V501 HydrophobicContact CD2-CG1 3.36Å; F273-V501 HydrophobicContact CE1-CB 4.16Å; F273-V501 HydrophobicContact CE1-CG1 3.56Å; F273-V501 HydrophobicContact CE2-CG1 3.36Å; F273-V501 HydrophobicContact CG-CB 4.45Å; F273-V501 HydrophobicContact CG-CG1 3.47Å; F273-V501 VanDerWaalsContact CG-CG1 3.47Å; F273-V501 HydrophobicContact CZ-CB 4.41Å; F273-V501 HydrophobicContact CZ-CG1 3.47Å; F273-V501 VanDerWaalsContact CZ-CG1 3.47Å; C497-V501 VanDerWaalsContact O-CG2 3.24Å; C497-V501 WeakPolarHBondContact O-CG2 3.35Å; C497-V501 PolarHBondContact O-N 2.77Å; V498-V501 PolarHBondContact O-N 2.99Å |
| 502 | S | 84.5 | Confident | 92.2 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.7 | -53.2 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | A277 V498 I500 | A277-S502 VanDerWaalsContact CB-OG 3.27Å; A277-S502 WeakPolarHBondContact CB-OG 3.42Å; V498-S502 VanDerWaalsContact O-CB 3.24Å; V498-S502 WeakPolarHBondContact O-CB 3.35Å; V498-S502 PolarHBondContact O-N 3.19Å; I500-S502 VanDerWaalsContact C-N 3.34Å |
| 503 | N | 87.2 | Confident | 92.1 | Very high | 46 Ų | 46 | 56.8 Ų | 56.8 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | trans | -153.5 | 100 | 176.1 | -175.5 | -24.9 | 0 | 0 | 0 | 110.5 | M499 I500 W505 A506 S507 | M499-N503 PolarHBondContact O-N 3.14Å; M499-N503 VanDerWaalsContact O-N 3.1Å; I500-N503 CarbonylContact O-C 3.33Å; N503-W505 PolarHBondContact ND2-NE1 2.92Å; N503-W505 PolarHBondContact O-N 2.84Å; N503-W505 PolarHBondContact OD1-N 3.03Å; N503-W505 PolarHBondContact OD1-NE1 3.38Å; N503-A506 HydrophobicContact CB-CB 4.14Å; N503-A506 PolarHBondContact OD1-N 3.33Å; N503-A506 VanDerWaalsContact OD1-N 3.14Å; N503-S507 WeakPolarHBondContact O-CB 3.45Å; N503-S507 PolarHBondContact O-N 2.93Å | ||
| 504 | W | 91 | Very high | 91.9 | Very high | 177 Ų | 177 | 55.2 Ų | 55.2 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | -172.2 | 71.9 | -91.7 | 0 | 0 | 0 | 113.6 | I500 L508 | I500-W504 HydrophobicContact CG2-CB 4.35Å; I500-W504 VanDerWaalsContact O-CA 3.31Å; I500-W504 WeakPolarHBondContact O-CA 3.28Å; I500-W504 WeakPolarHBondContact O-CB 3.48Å; I500-W504 PolarHBondContact O-N 2.84Å; I500-W504 VanDerWaalsContact O-N 3.13Å; W504-L508 WeakPolarHBondContact O-CB 3.45Å; W504-L508 PolarHBondContact O-N 3.47Å |
| 505 | W | 92.2 | Very high | 91.7 | Very high | 154 Ų | 154 | 57.7 Ų | 57.7 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -76 | -41.8 | -176.2 | 65.7 | -98.6 | 0 | 0 | 0 | 111 | N503 S507 L508 V509 | N503-W505 PolarHBondContact ND2-NE1 2.92Å; N503-W505 PolarHBondContact O-N 2.84Å; N503-W505 PolarHBondContact OD1-N 3.03Å; N503-W505 PolarHBondContact OD1-NE1 3.38Å; W505-S507 VanDerWaalsContact C-N 3.32Å; W505-S507 PolarHBondContact O-N 3.23Å; W505-L508 PolarHBondContact O-N 3.44Å; W505-V509 WeakPolarHBondContact O-CG2 3.41Å; W505-V509 PolarHBondContact O-N 2.88Å |
| 506 | A | 90.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | N452 N503 V509 T510 | N452-A506 PolarHBondContact ND2-O 3.35Å; N503-A506 HydrophobicContact CB-CB 4.14Å; N503-A506 PolarHBondContact OD1-N 3.33Å; N503-A506 VanDerWaalsContact OD1-N 3.14Å; A506-V509 PolarHBondContact O-N 3.27Å; A506-T510 WeakPolarHBondContact O-CG2 3.46Å; A506-T510 PolarHBondContact O-N 3.31Å; A506-T510 PolarHBondContact O-OG1 3.05Å |
| 507 | S | 91.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.7 | -50 | 172.7 | 177 | 0 | 0 | 0 | 0 | 111.3 | M499 I500 N503 W505 V509 T510 L511 | M499-S507 WeakPolarHBondContact CE-OG 3.23Å; I500-S507 WeakPolarHBondContact CG1-OG 3.3Å; N503-S507 WeakPolarHBondContact O-CB 3.45Å; N503-S507 PolarHBondContact O-N 2.93Å; W505-S507 VanDerWaalsContact C-N 3.32Å; W505-S507 PolarHBondContact O-N 3.23Å; S507-V509 PolarHBondContact O-N 2.88Å; S507-T510 WeakPolarHBondContact CA-OG1 3.21Å; S507-T510 PolarHBondContact O-N 3.06Å; S507-T510 PolarHBondContact O-OG1 2.98Å; S507-L511 WeakPolarHBondContact O-CG 3.09Å; S507-L511 PolarHBondContact O-N 3.38Å |
| 508 | L | 92.8 | Very high | 91.3 | Very high | 106 Ų | 106 | 61.3 Ų | 61.3 | 56% | 0.555 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 178.6 | -168.6 | 157.5 | 0 | 0 | 0 | 112 | W504 W505 T510 L511 A512 | W504-L508 WeakPolarHBondContact O-CB 3.45Å; W504-L508 PolarHBondContact O-N 3.47Å; W505-L508 PolarHBondContact O-N 3.44Å; L508-T510 PolarHBondContact O-N 3.49Å; L508-L511 PolarHBondContact O-N 3.05Å; L508-A512 WeakPolarHBondContact O-CB 3.5Å; L508-A512 PolarHBondContact O-N 3.5Å |
| 509 | V | 93.5 | Very high | 91.2 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | W505 A506 S507 A512 I513 | W505-V509 WeakPolarHBondContact O-CG2 3.41Å; W505-V509 PolarHBondContact O-N 2.88Å; A506-V509 PolarHBondContact O-N 3.27Å; S507-V509 PolarHBondContact O-N 2.88Å; V509-A512 PolarHBondContact O-N 2.99Å; V509-I513 HydrophobicContact CG1-CD1 3.98Å; V509-I513 WeakPolarHBondContact O-CG1 3.21Å; V509-I513 PolarHBondContact O-N 3.36Å |
| 510 | T | 92 | Very high | 91.1 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | N452 F453 A506 S507 L508 A512 I513 I514 | N452-T510 WeakPolarHBondContact ND2-CG2 3.44Å; F453-T510 HydrophobicContact CD1-CG2 4.18Å; F453-T510 HydrophobicContact CE1-CG2 3.73Å; F453-T510 HydrophobicContact CZ-CG2 4.17Å; A506-T510 WeakPolarHBondContact O-CG2 3.46Å; A506-T510 PolarHBondContact O-N 3.31Å; A506-T510 PolarHBondContact O-OG1 3.05Å; S507-T510 WeakPolarHBondContact CA-OG1 3.21Å; S507-T510 PolarHBondContact O-N 3.06Å; S507-T510 PolarHBondContact O-OG1 2.98Å; L508-T510 PolarHBondContact O-N 3.49Å; T510-A512 VanDerWaalsContact C-N 3.33Å; T510-A512 PolarHBondContact O-N 3.38Å; T510-I513 PolarHBondContact O-N 3.4Å; T510-I514 VanDerWaalsContact O-CG1 3.27Å; T510-I514 WeakPolarHBondContact O-CG1 3.44Å; T510-I514 PolarHBondContact O-N 3.44Å |
| 511 | L | 92.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 62.8 Ų | 62.8 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 174.8 | -70.9 | 173.6 | 0 | 0 | 0 | 111.9 | M499 S507 L508 I514 L515 | M499-L511 HydrophobicContact CE-CD1 3.99Å; M499-L511 HydrophobicContact CE-CD2 3.75Å; M499-L511 HydrophobicContact CE-CG 3.62Å; S507-L511 WeakPolarHBondContact O-CG 3.09Å; S507-L511 PolarHBondContact O-N 3.38Å; L508-L511 PolarHBondContact O-N 3.05Å; L511-I514 PolarHBondContact O-N 3.08Å; L511-L515 PolarHBondContact O-N 3.04Å |
| 512 | A | 93.8 | Very high | 90.7 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L508 V509 T510 I514 L515 I516 | L508-A512 WeakPolarHBondContact O-CB 3.5Å; L508-A512 PolarHBondContact O-N 3.5Å; V509-A512 PolarHBondContact O-N 2.99Å; T510-A512 VanDerWaalsContact C-N 3.33Å; T510-A512 PolarHBondContact O-N 3.38Å; A512-I514 VanDerWaalsContact C-N 3.34Å; A512-I514 PolarHBondContact O-N 3.47Å; A512-L515 PolarHBondContact O-N 3.26Å; A512-I516 VanDerWaalsContact O-CG1 3.26Å; A512-I516 WeakPolarHBondContact O-CG1 3.3Å; A512-I516 PolarHBondContact O-N 3.47Å |
| 513 | I | 93.2 | Very high | 90.8 | Very high | 74 Ų | 74 | 71 Ų | 71 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 175.8 | -68.5 | 166.9 | 0 | 0 | 0 | 110.6 | V509 T510 L515 I516 L517 | V509-I513 HydrophobicContact CG1-CD1 3.98Å; V509-I513 WeakPolarHBondContact O-CG1 3.21Å; V509-I513 PolarHBondContact O-N 3.36Å; T510-I513 PolarHBondContact O-N 3.4Å; I513-L515 PolarHBondContact O-N 3.43Å; I513-I516 PolarHBondContact O-N 2.98Å; I513-L517 HydrophobicContact CG2-CD1 3.92Å; I513-L517 HydrophobicContact CG2-CG 4.37Å; I513-L517 VanDerWaalsContact O-CG 3.3Å; I513-L517 WeakPolarHBondContact O-CG 3.48Å; I513-L517 PolarHBondContact O-N 3.4Å |
| 514 | I | 92.1 | Very high | 90.6 | Very high | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.092 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.1 | -48.9 | 176.4 | -72.9 | 166.5 | 0 | 0 | 0 | 111.4 | L155 A456 L460 T510 L511 A512 I516 L517 Y518 | L155-I514 HydrophobicContact CD1-CD1 3.67Å; L155-I514 HydrophobicContact CD1-CG1 3.42Å; L155-I514 VanDerWaalsContact CD1-CG1 3.42Å; L155-I514 HydrophobicContact CG-CG1 4.47Å; A456-I514 HydrophobicContact CB-CD1 4.06Å; L460-I514 HydrophobicContact CD1-CD1 3.94Å; L460-I514 HydrophobicContact CD1-CG1 4.03Å; L460-I514 HydrophobicContact CD1-CG2 3.9Å; L460-I514 HydrophobicContact CD2-CG2 3.79Å; L460-I514 HydrophobicContact CG-CD1 4.32Å; L460-I514 HydrophobicContact CG-CG2 4.27Å; T510-I514 VanDerWaalsContact O-CG1 3.27Å; T510-I514 WeakPolarHBondContact O-CG1 3.44Å; T510-I514 PolarHBondContact O-N 3.44Å; L511-I514 PolarHBondContact O-N 3.08Å; A512-I514 VanDerWaalsContact C-N 3.34Å; A512-I514 PolarHBondContact O-N 3.47Å; I514-I516 VanDerWaalsContact C-N 3.33Å; I514-I516 PolarHBondContact O-N 3.24Å; I514-L517 PolarHBondContact O-N 2.82Å; I514-Y518 WeakPolarHBondContact O-CB 3.36Å; I514-Y518 PolarHBondContact O-N 3.4Å |
| 515 | L | 92 | Very high | 89.9 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 58% | 0.576 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | -179.3 | -177.5 | 65 | 0 | 0 | 0 | 111.3 | L511 A512 I513 Y518 V519 | L511-L515 PolarHBondContact O-N 3.04Å; A512-L515 PolarHBondContact O-N 3.26Å; I513-L515 PolarHBondContact O-N 3.43Å; L515-Y518 PolarHBondContact O-N 3.27Å; L515-V519 HydrophobicContact CD1-CG2 4.31Å; L515-V519 HydrophobicContact CG-CG2 4.48Å; L515-V519 WeakPolarHBondContact O-CB 3.28Å; L515-V519 VanDerWaalsContact O-CG2 3.28Å; L515-V519 WeakPolarHBondContact O-CG2 3.26Å; L515-V519 PolarHBondContact O-N 3.07Å |
| 516 | I | 94 | Very high | 89 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 55% | 0.549 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 176.7 | -69 | 164.7 | 0 | 0 | 0 | 110.3 | A512 I513 I514 Y518 V519 V520 | A512-I516 VanDerWaalsContact O-CG1 3.26Å; A512-I516 WeakPolarHBondContact O-CG1 3.3Å; A512-I516 PolarHBondContact O-N 3.47Å; I513-I516 PolarHBondContact O-N 2.98Å; I514-I516 VanDerWaalsContact C-N 3.33Å; I514-I516 PolarHBondContact O-N 3.24Å; I516-Y518 VanDerWaalsContact C-N 3.32Å; I516-Y518 PolarHBondContact O-N 3.36Å; I516-V519 PolarHBondContact O-N 3.39Å; I516-V520 HydrophobicContact CG2-CG2 4.3Å; I516-V520 WeakPolarHBondContact O-CB 3.4Å; I516-V520 VanDerWaalsContact O-CG2 3.24Å; I516-V520 WeakPolarHBondContact O-CG2 3.29Å; I516-V520 PolarHBondContact O-N 3.46Å |
| 517 | L | 91.3 | Very high | 88 | Confident | 26 Ų | 26 | 75.3 Ų | 75.3 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 178 | -69.7 | 171 | 0 | 0 | 0 | 111.4 | L154 F407 I513 I514 V520 L521 | L154-L517 HydrophobicContact CD2-CD1 3.5Å; L154-L517 VanDerWaalsContact CD2-CD1 3.5Å; L154-L517 HydrophobicContact CD2-CD2 3.92Å; L154-L517 HydrophobicContact CD2-CG 4.38Å; F407-L517 HydrophobicContact CE1-CD2 3.82Å; F407-L517 HydrophobicContact CZ-CD2 4.03Å; I513-L517 HydrophobicContact CG2-CD1 3.92Å; I513-L517 HydrophobicContact CG2-CG 4.37Å; I513-L517 VanDerWaalsContact O-CG 3.3Å; I513-L517 WeakPolarHBondContact O-CG 3.48Å; I513-L517 PolarHBondContact O-N 3.4Å; I514-L517 PolarHBondContact O-N 2.82Å; L517-V520 PolarHBondContact O-N 2.82Å; L517-L521 WeakPolarHBondContact O-CG 3.07Å; L517-L521 PolarHBondContact O-N 3.24Å; L517-L521 VanDerWaalsContact O-N 3.13Å |
| 518 | Y | 88.5 | Confident | 87.1 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 24% | 0.239 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 177.6 | -174.2 | -99 | 0 | 0 | 0 | 112.3 | E147 F148 I514 L515 I516 L521 L522 | E147-Y518 HydrophobicContact CB-CD2 3.75Å; E147-Y518 HydrophobicContact CB-CE2 3.47Å; E147-Y518 VanDerWaalsContact CB-CE2 3.47Å; E147-Y518 HydrophobicContact CG-CE2 4.41Å; F148-Y518 HydrophobicContact CD1-CE2 4.34Å; F148-Y518 HydrophobicContact CE1-CE2 4.08Å; F148-Y518 HydrophobicContact CE2-CE2 4.36Å; F148-Y518 HydrophobicContact CZ-CE2 4.1Å; I514-Y518 WeakPolarHBondContact O-CB 3.36Å; I514-Y518 PolarHBondContact O-N 3.4Å; L515-Y518 PolarHBondContact O-N 3.27Å; I516-Y518 VanDerWaalsContact C-N 3.32Å; I516-Y518 PolarHBondContact O-N 3.36Å; Y518-L521 PolarHBondContact O-N 3.16Å; Y518-L522 HydrophobicContact CD1-CD1 3.67Å; Y518-L522 HydrophobicContact CD1-CG 4.31Å; Y518-L522 HydrophobicContact CE1-CD1 3.29Å; Y518-L522 HydrophobicContact CE1-CG 4.01Å; Y518-L522 PolarHBondContact O-N 2.96Å |
| 519 | V | 89.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 79.9 Ų | 79.9 | 32% | 0.321 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 179.1 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | L515 I516 L521 L522 R523 | L515-V519 HydrophobicContact CD1-CG2 4.31Å; L515-V519 HydrophobicContact CG-CG2 4.48Å; L515-V519 WeakPolarHBondContact O-CB 3.28Å; L515-V519 VanDerWaalsContact O-CG2 3.28Å; L515-V519 WeakPolarHBondContact O-CG2 3.26Å; L515-V519 PolarHBondContact O-N 3.07Å; I516-V519 PolarHBondContact O-N 3.39Å; V519-L521 VanDerWaalsContact C-N 3.33Å; V519-L522 PolarHBondContact O-N 3.48Å; V519-R523 PolarHBondContact O-N 3.19Å |
| 520 | V | 90.6 | Very high | 85.4 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 175.3 | 166.8 | 0 | 0 | 0 | 0 | 110.4 | I516 L517 R523 R524 | I516-V520 HydrophobicContact CG2-CG2 4.3Å; I516-V520 WeakPolarHBondContact O-CB 3.4Å; I516-V520 VanDerWaalsContact O-CG2 3.24Å; I516-V520 WeakPolarHBondContact O-CG2 3.29Å; I516-V520 PolarHBondContact O-N 3.46Å; L517-V520 PolarHBondContact O-N 2.82Å; V520-R523 PolarHBondContact O-N 3.17Å; V520-R524 WeakPolarHBondContact O-CB 3.28Å; V520-R524 PolarHBondContact O-N 2.89Å; V520-R524 VanDerWaalsContact O-N 3.08Å |
| 521 | L | 87.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.9 | -68.5 | 172 | 0 | 0 | 0 | 112.1 | E147 L406 F407 L517 Y518 V519 R523 R524 K525 P526 | E147-L521 HydrophobicContact CG-CB 4.48Å; L406-L521 HydrophobicContact CB-CD2 3.97Å; L406-L521 WeakPolarHBondContact O-CD2 3.34Å; F407-L521 HydrophobicContact CD1-CD2 4.39Å; F407-L521 HydrophobicContact CE1-CD1 4.37Å; F407-L521 HydrophobicContact CE1-CD2 3.96Å; F407-L521 HydrophobicContact CE1-CG 4.07Å; F407-L521 HydrophobicContact CE2-CD2 4.42Å; F407-L521 HydrophobicContact CZ-CD1 3.86Å; F407-L521 HydrophobicContact CZ-CD2 3.99Å; F407-L521 HydrophobicContact CZ-CG 4.06Å; L517-L521 WeakPolarHBondContact O-CG 3.07Å; L517-L521 PolarHBondContact O-N 3.24Å; L517-L521 VanDerWaalsContact O-N 3.13Å; Y518-L521 PolarHBondContact O-N 3.16Å; V519-L521 VanDerWaalsContact C-N 3.33Å; L521-R523 PolarHBondContact O-N 2.77Å; L521-R524 PolarHBondContact O-N 3.35Å; L521-K525 PolarHBondContact O-N 3.05Å; L521-P526 WeakPolarHBondContact O-CD 3.22Å |
| 522 | L | 85 | Confident | 83.6 | Confident | 73 Ų | 73 | 77 Ų | 77 | 38% | 0.382 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.5 | -81.3 | 175.8 | 0 | 0 | 0 | 113.3 | E147 Y518 V519 K525 | E147-L522 HydrophobicContact CG-CD2 3.88Å; E147-L522 HydrophobicContact CG-CG 4.17Å; Y518-L522 HydrophobicContact CD1-CD1 3.67Å; Y518-L522 HydrophobicContact CD1-CG 4.31Å; Y518-L522 HydrophobicContact CE1-CD1 3.29Å; Y518-L522 HydrophobicContact CE1-CG 4.01Å; Y518-L522 PolarHBondContact O-N 2.96Å; V519-L522 PolarHBondContact O-N 3.48Å; L522-K525 WeakPolarHBondContact O-CG 3.26Å |
| 523 | R | 86.1 | Confident | 82.8 | Confident | 211 Ų | 211 | 75.4 Ų | 75.4 | 80% | 0.796 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71.4 | -35.4 | -179.9 | -76 | -174.6 | 179.4 | 173.1 | 2 | 112.4 | V519 V520 L521 K525 | V519-R523 PolarHBondContact O-N 3.19Å; V520-R523 PolarHBondContact O-N 3.17Å; L521-R523 PolarHBondContact O-N 2.77Å; R523-K525 VanDerWaalsContact C-N 3.27Å; R523-K525 PolarHBondContact O-N 3.49Å |
| 524 | R | 83 | Confident | 82.1 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70 | -26.5 | -178.4 | -163.3 | 174.8 | -175.8 | -148.8 | -5.8 | 112.3 | N405 L406 P408 V520 L521 | N405-R524 PolarHBondContact O-NH1 3.41Å; L406-R524 PolarHBondContact O-NH1 3.4Å; P408-R524 VanDerWaalsContact CD-NH1 3.3Å; V520-R524 WeakPolarHBondContact O-CB 3.28Å; V520-R524 PolarHBondContact O-N 2.89Å; V520-R524 VanDerWaalsContact O-N 3.08Å; L521-R524 PolarHBondContact O-N 3.35Å |
| 525 | K | 75.7 | Confident | 81.5 | Confident | 166 Ų | 166 | 79.3 Ų | 79.3 | 72% | 0.722 | 40% | 0.404 | S | S | * | . | trans | 44.1 | 65.9 | -174.4 | -66.8 | -173.7 | 178.1 | -178.5 | 0 | 110.7 | L521 L522 R523 D527 | L521-K525 PolarHBondContact O-N 3.05Å; L522-K525 WeakPolarHBondContact O-CG 3.26Å; R523-K525 VanDerWaalsContact C-N 3.27Å; R523-K525 PolarHBondContact O-N 3.49Å; K525-D527 PolarHBondContact O-N 3.32Å | ||
| 526 | P | 73.3 | Confident | 81 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | trans | -54.8 | 136.6 | -177.9 | 24.6 | -33.4 | 0 | 0 | 0 | 110.1 | P146 L406 L521 V528 | P146-P526 HydrophobicContact CB-CG 3.98Å; P146-P526 HydrophobicContact CG-CG 4.1Å; L406-P526 HydrophobicContact CD2-CB 4.14Å; L406-P526 HydrophobicContact CD2-CG 4.24Å; L521-P526 WeakPolarHBondContact O-CD 3.22Å; P526-V528 HydrophobicContact CB-CG2 4.03Å; P526-V528 HydrophobicContact CG-CG2 4.01Å; P526-V528 PolarHBondContact O-N 3.01Å | ||
| 527 | D | 70.1 | Confident | 80.6 | Confident | 177 Ų | 177 | 72.4 Ų | 72.4 | 95% | 0.947 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -73.6 | 53.4 | 180 | -67.6 | -37 | 0 | 0 | 0 | 111.5 | K525 | K525-D527 PolarHBondContact O-N 3.32Š|
| 528 | V | 73.1 | Confident | 80.4 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | trans | -115.4 | 123.2 | 180 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | P146 L406 P526 W530 | P146-V528 HydrophobicContact CB-CG2 3.73Å; P146-V528 HydrophobicContact CG-CG2 3.81Å; L406-V528 HydrophobicContact CD2-CG2 4.48Å; P526-V528 HydrophobicContact CB-CG2 4.03Å; P526-V528 HydrophobicContact CG-CG2 4.01Å; P526-V528 PolarHBondContact O-N 3.01Å; V528-W530 HydrophobicContact CB-CD2 3.93Å; V528-W530 HydrophobicContact CB-CG 4.2Å; V528-W530 HydrophobicContact CB-CZ2 4Å; V528-W530 HydrophobicContact CG1-CH2 4.44Å; V528-W530 HydrophobicContact CG1-CZ2 3.84Å; V528-W530 HydrophobicContact CG2-CD2 3.84Å; V528-W530 HydrophobicContact CG2-CE3 4.03Å; V528-W530 HydrophobicContact CG2-CG 4.27Å; V528-W530 HydrophobicContact CG2-CZ2 4.33Å; V528-W530 HydrophobicContact CG2-CZ3 4.36Å; V528-W530 PolarHBondContact O-N 3.37Å | ||
| 529 | N | 75.8 | Confident | 80.3 | Confident | 163 Ų | 163 | 79.2 Ų | 79.2 | 87% | 0.872 | 41% | 0.408 | S | S | * | . | trans | -86.1 | 59.1 | -179.9 | -168.4 | 15.5 | 0 | 0 | 0 | 111.6 | ||||
| 530 | W | 74.9 | Confident | 80.2 | Confident | 39 Ų | 39 | 80.6 Ų | 80.6 | 15% | 0.148 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -97.1 | -2.4 | 176.4 | -51.4 | -15.6 | 0 | 0 | 0 | 112.2 | R142 P146 D404 L406 V528 | R142-W530 VanDerWaalsContact CZ-CZ2 3.45Å; P146-W530 HydrophobicContact CB-CE3 3.73Å; P146-W530 HydrophobicContact CB-CZ3 3.81Å; P146-W530 HydrophobicContact CG-CE3 4.42Å; D404-W530 HydrophobicContact CB-CH2 3.67Å; D404-W530 HydrophobicContact CB-CZ2 4.03Å; D404-W530 VanDerWaalsContact CG-CH2 3.46Å; D404-W530 WeakPolarHBondContact OD2-CH2 3.3Å; L406-W530 HydrophobicContact CD1-CH2 4.15Å; L406-W530 HydrophobicContact CD1-CZ3 4.05Å; L406-W530 HydrophobicContact CD2-CH2 3.9Å; L406-W530 HydrophobicContact CD2-CZ3 4.02Å; L406-W530 HydrophobicContact CG-CH2 4.27Å; V528-W530 HydrophobicContact CB-CD2 3.93Å; V528-W530 HydrophobicContact CB-CG 4.2Å; V528-W530 HydrophobicContact CB-CZ2 4Å; V528-W530 HydrophobicContact CG1-CH2 4.44Å; V528-W530 HydrophobicContact CG1-CZ2 3.84Å; V528-W530 HydrophobicContact CG2-CD2 3.84Å; V528-W530 HydrophobicContact CG2-CE3 4.03Å; V528-W530 HydrophobicContact CG2-CG 4.27Å; V528-W530 HydrophobicContact CG2-CZ2 4.33Å; V528-W530 HydrophobicContact CG2-CZ3 4.36Å; V528-W530 PolarHBondContact O-N 3.37Å |
| 531 | G | 71.4 | Confident | 80.3 | Confident | 35 Ų | 35 | 81.7 Ų | 81.7 | 36% | 0.361 | 42% | 0.415 | S | S | . | . | trans | 69 | 159.4 | -163.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G145 P146 | G145-G531 WeakPolarHBondContact CA-O 3.3Å; P146-G531 WeakPolarHBondContact CD-O 3.5Å | ||
| 532 | S | 75 | Confident | 80.5 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | trans | -135.8 | 145.4 | 167.8 | 56.9 | 0 | 0 | 0 | 0 | 108.6 | E147 G534 Q535 A536 | E147-S532 WeakPolarHBondContact OE1-CB 3.15Å; S532-G534 PolarHBondContact O-N 2.97Å; S532-Q535 PolarHBondContact O-N 3.39Å; S532-Q535 WeakPolarHBondContact OG-CB 3.42Å; S532-Q535 WeakPolarHBondContact OG-CG 3.48Å; S532-Q535 PolarHBondContact OG-N 3.24Å; S532-Q535 VanDerWaalsContact OG-N 3.14Å; S532-A536 PolarHBondContact O-N 3.24Å; S532-A536 VanDerWaalsContact O-N 3.16Å | ||
| 533 | S | 76.8 | Confident | 80.8 | Confident | 8 Ų | 8 | 84.3 Ų | 84.3 | 6% | 0.056 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.7 | -33.5 | 171.8 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | D467 A536 H537 | D467-S533 WeakPolarHBondContact OD2-CB 3.33Å; D467-S533 PolarHBondContact OD2-OG 3.03Å; S533-A536 PolarHBondContact O-N 3.31Å; S533-H537 WeakPolarHBondContact O-CB 3.37Å; S533-H537 PolarHBondContact O-CD2 3.27Å; S533-H537 PolarHBondContact O-N 3.23Å |
| 534 | G | 77.9 | Confident | 81.1 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | S532 H537 A538 | S532-G534 PolarHBondContact O-N 2.97Å; G534-H537 PolarHBondContact O-N 3.25Å; G534-A538 PolarHBondContact O-N 3.3Å |
| 535 | Q | 80.5 | Confident | 81.6 | Confident | 135 Ų | 135 | 74.7 Ų | 74.7 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 175.4 | -75.7 | 171.1 | 1 | 0 | 0 | 111.9 | S532 H537 A538 Y539 | S532-Q535 PolarHBondContact O-N 3.39Å; S532-Q535 WeakPolarHBondContact OG-CB 3.42Å; S532-Q535 WeakPolarHBondContact OG-CG 3.48Å; S532-Q535 PolarHBondContact OG-N 3.24Å; S532-Q535 VanDerWaalsContact OG-N 3.14Å; Q535-H537 VanDerWaalsContact C-N 3.34Å; Q535-H537 PolarHBondContact O-N 3.46Å; Q535-A538 PolarHBondContact O-N 2.92Å; Q535-Y539 PolarHBondContact O-N 3.02Å |
| 536 | A | 81.4 | Confident | 82.4 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S473 S532 S533 Y539 R540 | S473-A536 WeakPolarHBondContact OG-CB 3.22Å; S532-A536 PolarHBondContact O-N 3.24Å; S532-A536 VanDerWaalsContact O-N 3.16Å; S533-A536 PolarHBondContact O-N 3.31Å; A536-Y539 PolarHBondContact O-N 3.16Å; A536-R540 WeakPolarHBondContact O-CB 3.48Å; A536-R540 PolarHBondContact O-N 2.93Å |
| 537 | H | 85.2 | Confident | 83.3 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 172.7 | -81.9 | -62.8 | 0 | 0 | 0 | 112.4 | D467 Y470 S471 S533 G534 Q535 R540 T541 | D467-H537 IonicContact OD1-NE2 3.85Å; Y470-H537 AromaticContact CD1-CE1 3.88Å; S471-H537 VanDerWaalsContact CA-CE1 3.4Å; S471-H537 WeakPolarHBondContact CA-CE1 3.4Å; S471-H537 VanDerWaalsContact CB-NE2 3.27Å; S471-H537 WeakPolarHBondContact CB-NE2 3.4Å; S533-H537 WeakPolarHBondContact O-CB 3.37Å; S533-H537 PolarHBondContact O-CD2 3.27Å; S533-H537 PolarHBondContact O-N 3.23Å; G534-H537 PolarHBondContact O-N 3.25Å; Q535-H537 VanDerWaalsContact C-N 3.34Å; Q535-H537 PolarHBondContact O-N 3.46Å; H537-R540 PolarHBondContact O-N 3.49Å; H537-T541 VanDerWaalsContact O-CB 3.28Å; H537-T541 WeakPolarHBondContact O-CB 3.38Å; H537-T541 PolarHBondContact O-N 3.24Å; H537-T541 PolarHBondContact O-OG1 3.35Å |
| 538 | A | 86.4 | Confident | 84.4 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G534 Q535 T541 A542 | G534-A538 PolarHBondContact O-N 3.3Å; Q535-A538 PolarHBondContact O-N 2.92Å; A538-T541 PolarHBondContact O-N 2.81Å; A538-A542 WeakPolarHBondContact O-CB 3.32Å; A538-A542 PolarHBondContact O-N 3.03Å |
| 539 | Y | 86.8 | Confident | 85.3 | Confident | 168 Ų | 168 | 72.7 Ų | 72.7 | 66% | 0.659 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.1 | -50.1 | 176.4 | 179.8 | -92 | 0 | 0 | 0 | 112 | Q535 A536 T541 A542 L543 | Q535-Y539 PolarHBondContact O-N 3.02Å; A536-Y539 PolarHBondContact O-N 3.16Å; Y539-T541 VanDerWaalsContact C-N 3.3Å; Y539-T541 PolarHBondContact O-N 2.96Å; Y539-A542 PolarHBondContact O-N 2.81Å; Y539-L543 HydrophobicContact CE1-CD2 4.22Å; Y539-L543 WeakPolarHBondContact O-CB 3.4Å; Y539-L543 PolarHBondContact O-N 3.4Å |
| 540 | R | 87.8 | Confident | 85.9 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 179.7 | -176.6 | 176.1 | 174.5 | -158.8 | -3.7 | 111.8 | Y470 A536 H537 N544 | Y470-R540 PolarHBondContact O-NH1 2.99Å; Y470-R540 VanDerWaalsContact O-NH1 3.14Å; A536-R540 WeakPolarHBondContact O-CB 3.48Å; A536-R540 PolarHBondContact O-N 2.93Å; H537-R540 PolarHBondContact O-N 3.49Å; R540-N544 VanDerWaalsContact O-CB 3.29Å; R540-N544 WeakPolarHBondContact O-CB 3.5Å; R540-N544 VanDerWaalsContact O-CG 3.23Å; R540-N544 PolarHBondContact O-N 3.25Å; R540-N544 PolarHBondContact O-ND2 3.11Å |
| 541 | T | 92.3 | Very high | 86.6 | Confident | 92 Ų | 92 | 73 Ų | 73 | 56% | 0.564 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | H537 A538 Y539 N544 A545 | H537-T541 VanDerWaalsContact O-CB 3.28Å; H537-T541 WeakPolarHBondContact O-CB 3.38Å; H537-T541 PolarHBondContact O-N 3.24Å; H537-T541 PolarHBondContact O-OG1 3.35Å; A538-T541 PolarHBondContact O-N 2.81Å; Y539-T541 VanDerWaalsContact C-N 3.3Å; Y539-T541 PolarHBondContact O-N 2.96Å; T541-N544 PolarHBondContact O-N 2.86Å; T541-A545 VanDerWaalsContact O-CB 3.29Å; T541-A545 WeakPolarHBondContact O-CB 3.42Å; T541-A545 PolarHBondContact O-N 3.33Å |
| 542 | A | 92 | Very high | 87.5 | Confident | 55 Ų | 55 | 75.1 Ų | 75.1 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A538 Y539 A545 M546 | A538-A542 WeakPolarHBondContact O-CB 3.32Å; A538-A542 PolarHBondContact O-N 3.03Å; Y539-A542 PolarHBondContact O-N 2.81Å; A542-A545 PolarHBondContact O-N 3.38Å; A542-M546 WeakPolarHBondContact O-CB 3.38Å; A542-M546 VanDerWaalsContact O-CG 3.3Å; A542-M546 WeakPolarHBondContact O-CG 3.36Å; A542-M546 PolarHBondContact O-N 2.92Å |
| 543 | L | 91.4 | Very high | 88 | Confident | 73 Ų | 73 | 83 Ų | 83 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.6 | -179.6 | 64.1 | 0 | 0 | 0 | 111.8 | Y539 A545 M546 L547 | Y539-L543 HydrophobicContact CE1-CD2 4.22Å; Y539-L543 WeakPolarHBondContact O-CB 3.4Å; Y539-L543 PolarHBondContact O-N 3.4Å; L543-A545 VanDerWaalsContact C-N 3.32Å; L543-A545 PolarHBondContact O-N 2.79Å; L543-M546 WeakPolarHBondContact O-CB 3.29Å; L543-M546 PolarHBondContact O-N 2.94Å; L543-L547 HydrophobicContact CD1-CD1 4.37Å; L543-L547 HydrophobicContact CD1-CG 4.41Å; L543-L547 HydrophobicContact CG-CD1 4.12Å; L543-L547 WeakPolarHBondContact O-CG 3.2Å; L543-L547 PolarHBondContact O-N 3.2Å |
| 544 | N | 92.4 | Very high | 88.1 | Confident | 66 Ų | 66 | 89.9 Ų | 89.9 | 35% | 0.353 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 177.7 | -75.4 | -23.1 | 0 | 0 | 0 | 111.9 | R540 T541 M546 L547 R548 | R540-N544 VanDerWaalsContact O-CB 3.29Å; R540-N544 WeakPolarHBondContact O-CB 3.5Å; R540-N544 VanDerWaalsContact O-CG 3.23Å; R540-N544 PolarHBondContact O-N 3.25Å; R540-N544 PolarHBondContact O-ND2 3.11Å; T541-N544 PolarHBondContact O-N 2.86Å; N544-M546 VanDerWaalsContact C-N 3.35Å; N544-L547 PolarHBondContact O-N 3.21Å; N544-R548 WeakPolarHBondContact O-CB 3.43Å; N544-R548 VanDerWaalsContact O-CG 3.26Å; N544-R548 WeakPolarHBondContact O-CG 3.42Å; N544-R548 PolarHBondContact O-N 3.37Å |
| 545 | A | 93.5 | Very high | 88.3 | Confident | 55 Ų | 55 | 92.6 Ų | 92.6 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T541 A542 L543 R548 L549 | T541-A545 VanDerWaalsContact O-CB 3.29Å; T541-A545 WeakPolarHBondContact O-CB 3.42Å; T541-A545 PolarHBondContact O-N 3.33Å; A542-A545 PolarHBondContact O-N 3.38Å; L543-A545 VanDerWaalsContact C-N 3.32Å; L543-A545 PolarHBondContact O-N 2.79Å; A545-R548 PolarHBondContact O-N 3.23Å; A545-L549 WeakPolarHBondContact O-CB 3.45Å; A545-L549 PolarHBondContact O-N 3.16Å |
| 546 | M | 91.7 | Very high | 88.4 | Confident | 32 Ų | 32 | 88.5 Ų | 88.5 | 16% | 0.158 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.5 | -75.5 | -55.9 | -66.5 | 0 | 0 | 113.1 | A542 L543 N544 L549 S550 L649 L652 | A542-M546 WeakPolarHBondContact O-CB 3.38Å; A542-M546 VanDerWaalsContact O-CG 3.3Å; A542-M546 WeakPolarHBondContact O-CG 3.36Å; A542-M546 PolarHBondContact O-N 2.92Å; L543-M546 WeakPolarHBondContact O-CB 3.29Å; L543-M546 PolarHBondContact O-N 2.94Å; N544-M546 VanDerWaalsContact C-N 3.35Å; M546-L549 PolarHBondContact O-N 3Å; M546-S550 PolarHBondContact O-N 3.43Å; M546-L649 HydrophobicContact CE-CB 4.23Å; M546-L649 HydrophobicContact CE-CD2 4.41Å; M546-L649 HydrophobicContact CE-CG 4.29Å; M546-L649 WeakPolarHBondContact CE-O 3.36Å; M546-L652 HydrophobicContact CE-CB 3.8Å; M546-L652 HydrophobicContact CE-CD1 3.82Å; M546-L652 HydrophobicContact CE-CG 3.69Å; M546-L652 HydrophobicContact SD-CB 4.32Å; M546-L652 HydrophobicContact SD-CD1 3.22Å; M546-L652 WeakPolarHBondContact SD-CD1 3.39Å; M546-L652 HydrophobicContact SD-CG 3.6Å; M546-L652 VanDerWaalsContact SD-CG 3.6Å |
| 547 | L | 92.8 | Very high | 88.4 | Confident | 87 Ų | 87 | 91.7 Ų | 91.7 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.9 | -70.8 | 171.3 | 0 | 0 | 0 | 111.1 | L543 N544 L549 S550 H551 | L543-L547 HydrophobicContact CD1-CD1 4.37Å; L543-L547 HydrophobicContact CD1-CG 4.41Å; L543-L547 HydrophobicContact CG-CD1 4.12Å; L543-L547 WeakPolarHBondContact O-CG 3.2Å; L543-L547 PolarHBondContact O-N 3.2Å; N544-L547 PolarHBondContact O-N 3.21Å; L547-L549 VanDerWaalsContact C-N 3.33Å; L547-L549 PolarHBondContact O-N 2.69Å; L547-S550 WeakPolarHBondContact O-CB 3.48Å; L547-S550 PolarHBondContact O-N 3.48Å; L547-S550 VanDerWaalsContact O-N 3.14Å; L547-S550 PolarHBondContact O-OG 3.36Å; L547-H551 PolarHBondContact O-CD2 2.9Å; L547-H551 PolarHBondContact O-N 3.32Å |
| 548 | R | 93.6 | Very high | 88.4 | Confident | 187 Ų | 187 | 94.6 Ų | 94.6 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 174.2 | -74 | 174.7 | -177.2 | 179.7 | 0.4 | 112.2 | N544 A545 S550 H551 T552 | N544-R548 WeakPolarHBondContact O-CB 3.43Å; N544-R548 VanDerWaalsContact O-CG 3.26Å; N544-R548 WeakPolarHBondContact O-CG 3.42Å; N544-R548 PolarHBondContact O-N 3.37Å; A545-R548 PolarHBondContact O-N 3.23Å; R548-S550 VanDerWaalsContact C-N 3.28Å; R548-S550 PolarHBondContact O-N 2.87Å; R548-H551 PolarHBondContact O-N 3.01Å; R548-T552 PolarHBondContact O-N 3.2Å; R548-T552 PolarHBondContact O-OG1 3.49Å |
| 549 | L | 90.9 | Very high | 88.5 | Confident | 64 Ų | 64 | 94.4 Ų | 94.4 | 34% | 0.335 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 176.2 | -174.8 | 64.1 | 0 | 0 | 0 | 111.3 | A545 M546 L547 H551 T552 K651 L652 | A545-L549 WeakPolarHBondContact O-CB 3.45Å; A545-L549 PolarHBondContact O-N 3.16Å; M546-L549 PolarHBondContact O-N 3Å; L547-L549 VanDerWaalsContact C-N 3.33Å; L547-L549 PolarHBondContact O-N 2.69Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.45Å; L549-T552 PolarHBondContact O-N 2.97Å; L549-T552 VanDerWaalsContact O-N 3.15Å; L549-K651 HydrophobicContact CD2-CB 4.2Å; L549-K651 HydrophobicContact CG-CB 4.12Å; L549-K651 VanDerWaalsContact O-CD 3.28Å; L549-K651 WeakPolarHBondContact O-CD 3.47Å; L549-K651 WeakPolarHBondContact O-CE 3.49Å; L549-L652 HydrophobicContact CD2-CD2 3.96Å; L549-L652 HydrophobicContact CD2-CG 4Å |
| 550 | S | 90 | Very high | 88.7 | Confident | 50 Ų | 50 | 92.7 Ų | 92.7 | 35% | 0.35 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -30.8 | 178.3 | 79.1 | 0 | 0 | 0 | 0 | 114 | M546 L547 R548 K651 | M546-S550 PolarHBondContact O-N 3.43Å; L547-S550 WeakPolarHBondContact O-CB 3.48Å; L547-S550 PolarHBondContact O-N 3.48Å; L547-S550 VanDerWaalsContact O-N 3.14Å; L547-S550 PolarHBondContact O-OG 3.36Å; R548-S550 VanDerWaalsContact C-N 3.28Å; R548-S550 PolarHBondContact O-N 2.87Å; S550-K651 WeakPolarHBondContact O-CE 3.33Å |
| 551 | H | 89.5 | Confident | 88.9 | Confident | 159 Ų | 159 | 89.1 Ų | 89.1 | 74% | 0.736 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -86.2 | -12 | 177.3 | -67.3 | -66.6 | 0 | 0 | 0 | 114.3 | L547 R548 L549 | L547-H551 PolarHBondContact O-CD2 2.9Å; L547-H551 PolarHBondContact O-N 3.32Å; R548-H551 PolarHBondContact O-N 3.01Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 3.45Å |
| 552 | T | 89 | Confident | 89 | Confident | 80 Ų | 80 | 86.3 Ų | 86.3 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -79.7 | 129.6 | -177.5 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | R548 L549 K651 | R548-T552 PolarHBondContact O-N 3.2Å; R548-T552 PolarHBondContact O-OG1 3.49Å; L549-T552 PolarHBondContact O-N 2.97Å; L549-T552 VanDerWaalsContact O-N 3.15Å; T552-K651 WeakPolarHBondContact O-CE 3.34Å; T552-K651 PolarHBondContact O-NZ 2.96Å |
| 553 | E | 85.8 | Confident | 89.2 | Confident | 177 Ų | 177 | 83.7 Ų | 83.7 | 83% | 0.827 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 146.5 | 177.6 | -65.2 | -177 | 174.7 | 0 | 0 | 112.4 | ||
| 554 | E | 79.3 | Confident | 89.5 | Confident | 153 Ų | 153 | 80.2 Ų | 80.2 | 72% | 0.715 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -84 | 131.2 | 178.1 | -64.3 | 179.4 | -171.6 | 0 | 0 | 109.9 | K651 | E554-K651 HydrophobicContact CG-CD 4.39Å; E554-K651 IonicContact OE1-NZ 3.43Å; E554-K651 PolarHBondContact OE1-NZ 3.44Å |
| 555 | H | 82.7 | Confident | 89.6 | Confident | 95 Ų | 95 | 77.1 Ų | 77.1 | 44% | 0.44 | 38% | 0.375 | S | S | . | . | trans | -131.3 | 139 | -179.8 | -169.8 | -76.8 | 0 | 0 | 0 | 109.4 | K557 N558 Y559 | H555-K557 VanDerWaalsContact C-N 3.26Å; H555-K557 VanDerWaalsContact CE1-CD 3.47Å; H555-K557 WeakPolarHBondContact CE1-CD 3.1Å; H555-K557 WeakPolarHBondContact ND1-CB 3.46Å; H555-K557 PolarHBondContact ND1-N 2.83Å; H555-K557 VanDerWaalsContact ND1-N 3.15Å; H555-K557 PolarHBondContact O-N 3.47Å; H555-N558 WeakPolarHBondContact O-CA 3.16Å; H555-N558 PolarHBondContact O-N 3.3Å; H555-Y559 PolarHBondContact O-N 3.4Å | ||
| 556 | V | 81.5 | Confident | 89.7 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -55 | -40.3 | -175.9 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | N558 Y559 S943 T946 | V556-N558 PolarHBondContact O-N 2.91Å; V556-Y559 WeakPolarHBondContact O-CB 3.4Å; V556-Y559 PolarHBondContact O-N 3.17Å; V556-S943 VanDerWaalsContact CG1-O 3.22Å; V556-S943 WeakPolarHBondContact CG1-O 3.44Å; V556-S943 WeakPolarHBondContact CG2-O 3.41Å; V556-T946 HydrophobicContact CB-CG2 4.08Å; V556-T946 HydrophobicContact CG1-CG2 3.83Å |
| 557 | K | 82.5 | Confident | 89.7 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 39% | 0.391 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -59.4 | -25 | 175.2 | -65.8 | 171.8 | -170.9 | 142.2 | 0 | 115 | H555 T946 Y948 S949 | H555-K557 VanDerWaalsContact C-N 3.26Å; H555-K557 VanDerWaalsContact CE1-CD 3.47Å; H555-K557 WeakPolarHBondContact CE1-CD 3.1Å; H555-K557 WeakPolarHBondContact ND1-CB 3.46Å; H555-K557 PolarHBondContact ND1-N 2.83Å; H555-K557 VanDerWaalsContact ND1-N 3.15Å; H555-K557 PolarHBondContact O-N 3.47Å; K557-T946 HydrophobicContact CG-CG2 3.8Å; K557-Y948 WeakPolarHBondContact CE-O 3.48Å; K557-Y948 PolarHBondContact NZ-O 2.89Å; K557-S949 VanDerWaalsContact CE-C 3.5Å; K557-S949 WeakPolarHBondContact CE-OXT 3.37Å; K557-S949 PolarHBondContact NZ-O 3.33Å; K557-S949 PolarHBondContact NZ-OXT 2.72Å |
| 558 | N | 85.3 | Confident | 89.5 | Confident | 112 Ų | 112 | 70.6 Ų | 70.6 | 60% | 0.599 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -96.4 | 4.2 | 178.8 | -66.9 | -24.1 | 0 | 0 | 0 | 111.8 | H555 V556 R560 | H555-N558 WeakPolarHBondContact O-CA 3.16Å; H555-N558 PolarHBondContact O-N 3.3Å; V556-N558 PolarHBondContact O-N 2.91Å; N558-R560 PolarHBondContact O-N 3.41Å |
| 559 | Y | 88.5 | Confident | 89.3 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | trans | -56.8 | 134.2 | 176.1 | -178.6 | -89.4 | 0 | 0 | 0 | 110.2 | H555 V556 N655 L792 V944 | H555-Y559 PolarHBondContact O-N 3.4Å; V556-Y559 WeakPolarHBondContact O-CB 3.4Å; V556-Y559 PolarHBondContact O-N 3.17Å; Y559-N655 WeakPolarHBondContact CE2-ND2 3.38Å; Y559-N655 PolarHBondContact OH-ND2 3.14Å; Y559-L792 HydrophobicContact CD1-CD2 3.77Å; Y559-L792 HydrophobicContact CE1-CD2 3.73Å; Y559-V944 HydrophobicContact CD1-CB 3.68Å; Y559-V944 HydrophobicContact CD1-CG1 3.95Å; Y559-V944 HydrophobicContact CD2-CB 4.28Å; Y559-V944 HydrophobicContact CD2-CG1 3.87Å; Y559-V944 HydrophobicContact CE1-CB 3.73Å; Y559-V944 HydrophobicContact CE1-CG1 3.6Å; Y559-V944 HydrophobicContact CE2-CB 4.31Å; Y559-V944 HydrophobicContact CE2-CG1 3.51Å; Y559-V944 HydrophobicContact CG-CB 3.97Å; Y559-V944 HydrophobicContact CG-CG1 4.07Å | ||
| 560 | R | 90.2 | Very high | 89.1 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 49% | 0.494 | 31% | 0.307 | S | S | . | . | trans | -130.7 | 137.7 | 175.2 | -68 | -175.2 | -172.2 | -87.5 | -5.2 | 108.6 | N558 Q562 N655 | N558-R560 PolarHBondContact O-N 3.41Å; R560-Q562 PolarHBondContact O-N 3.08Å; R560-Q562 VanDerWaalsContact O-N 3.09Å; R560-N655 PolarHBondContact O-ND2 2.88Å | ||
| 561 | P | 92.8 | Very high | 88.8 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | trans | -71.4 | 104.5 | 173.7 | 29.6 | -34.7 | 0 | 0 | 0 | 109.5 | I583 S588 I656 L793 L796 | P561-I583 HydrophobicContact CB-CG2 4.2Å; P561-I583 HydrophobicContact CG-CG2 4.05Å; P561-S588 WeakPolarHBondContact O-CB 3.44Å; P561-I656 HydrophobicContact CB-CD1 3.59Å; P561-L793 HydrophobicContact CB-CD2 4.42Å; P561-L796 HydrophobicContact CG-CD1 3.63Å | ||
| 562 | Q | 94.2 | Very high | 88.6 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | trans | -99.2 | 108.8 | 177.8 | -58.1 | -172 | 42.7 | 0 | 0 | 108.1 | R560 L589 K653 P654 N655 I656 | R560-Q562 PolarHBondContact O-N 3.08Å; R560-Q562 VanDerWaalsContact O-N 3.09Å; Q562-L589 CarbonylContact C-O 3.58Å; Q562-L589 WeakPolarHBondContact CA-O 3.2Å; Q562-L589 HydrophobicContact CB-CB 4.02Å; Q562-L589 HydrophobicContact CB-CD2 4.49Å; Q562-L589 HydrophobicContact CG-CB 4.04Å; Q562-K653 VanDerWaalsContact CD-O 3.3Å; Q562-K653 VanDerWaalsContact OE1-N 3.16Å; Q562-K653 PolarHBondContact OE1-O 3.27Å; Q562-P654 CarbonylContact O-C 3.56Å; Q562-P654 WeakPolarHBondContact O-CA 3.34Å; Q562-N655 WeakPolarHBondContact CA-OD1 3.45Å; Q562-N655 PolarHBondContact N-OD1 3.27Å; Q562-N655 PolarHBondContact O-N 2.88Å; Q562-N655 PolarHBondContact O-OD1 3.44Å; Q562-I656 PolarHBondContact O-N 2.81Å | ||
| 563 | M | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.6 | -166.4 | -59.6 | -172.9 | 76.1 | 0 | 0 | 112.2 | V565 A580 I583 T584 L589 L590 I591 I656 L658 | M563-V565 HydrophobicContact CB-CG2 4.3Å; M563-A580 HydrophobicContact CE-CB 4.38Å; M563-A580 HydrophobicContact SD-CB 4.21Å; M563-I583 HydrophobicContact CE-CD1 4.12Å; M563-I583 HydrophobicContact SD-CB 3.95Å; M563-I583 HydrophobicContact SD-CD1 4.16Å; M563-I583 HydrophobicContact SD-CG2 3.82Å; M563-T584 HydrophobicContact CB-CG2 4.31Å; M563-T584 HydrophobicContact CG-CG2 3.93Å; M563-T584 HydrophobicContact SD-CG2 3.92Å; M563-L589 PolarHBondContact N-O 3.47Å; M563-L590 HydrophobicContact CB-CD1 4.09Å; M563-I591 PolarHBondContact O-N 3.12Å; M563-I656 CarbonylContact C-O 3.55Å; M563-I656 WeakPolarHBondContact CA-O 3.2Å; M563-I656 HydrophobicContact CE-CG2 4.3Å; M563-I656 HydrophobicContact CG-CB 4.38Å; M563-L658 HydrophobicContact CE-CB 3.72Å; M563-L658 HydrophobicContact CE-CD2 3.77Å; M563-L658 HydrophobicContact CE-CG 4.2Å |
| 564 | L | 97 | Very high | 88.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111.2 | 160.9 | 176.3 | 64.1 | 0 | 0 | 0 | 108 | M566 I591 A593 L643 L644 P654 I656 M657 L658 | L564-M566 HydrophobicContact CD2-SD 4.44Å; L564-M566 HydrophobicContact CG-SD 4.3Å; L564-I591 CarbonylContact C-O 3.59Å; L564-I591 WeakPolarHBondContact CA-O 3.42Å; L564-I591 HydrophobicContact CD1-CB 4.14Å; L564-I591 HydrophobicContact CD1-CG2 3.88Å; L564-A593 HydrophobicContact CD1-CB 3.74Å; L564-L643 HydrophobicContact CD2-CB 4.36Å; L564-L644 HydrophobicContact CD2-CD2 4.23Å; L564-P654 HydrophobicContact CB-CB 3.63Å; L564-P654 HydrophobicContact CB-CG 3.94Å; L564-I656 PolarHBondContact N-O 3Å; L564-M657 CarbonylContact O-C 3.59Å; L564-M657 WeakPolarHBondContact O-CA 3.21Å; L564-L658 PolarHBondContact O-N 3.44Å |
| 565 | V | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.3 | -178.1 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | M563 T567 L576 A580 L590 I591 A593 L658 | M563-V565 HydrophobicContact CB-CG2 4.3Å; V565-T567 HydrophobicContact CB-CG2 3.93Å; V565-T567 HydrophobicContact CG1-CG2 3.46Å; V565-T567 VanDerWaalsContact CG1-CG2 3.46Å; V565-T567 PolarHBondContact O-N 2.71Å; V565-L576 HydrophobicContact CG1-CB 4.12Å; V565-A580 HydrophobicContact CG2-CB 3.51Å; V565-L590 HydrophobicContact CG2-CD1 3.53Å; V565-I591 PolarHBondContact N-O 3.27Å; V565-A593 PolarHBondContact O-N 3.29Å; V565-L658 WeakPolarHBondContact CA-O 3.46Å; V565-L658 HydrophobicContact CG1-CB 4.44Å; V565-L658 HydrophobicContact CG1-CD2 4.06Å; V565-L658 HydrophobicContact CG1-CG 4.38Å; V565-L658 HydrophobicContact CG2-CB 4.3Å; V565-L658 HydrophobicContact CG2-CD2 4.2Å |
| 566 | M | 95 | Very high | 89.1 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.069 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 72.9 | 174.9 | -58.1 | -55.4 | -62.8 | 0 | 0 | 109.6 | L564 G568 A593 I595 L643 M657 L658 I659 | L564-M566 HydrophobicContact CD2-SD 4.44Å; L564-M566 HydrophobicContact CG-SD 4.3Å; M566-G568 VanDerWaalsContact C-N 3.32Å; M566-A593 HydrophobicContact SD-CB 4.09Å; M566-I595 HydrophobicContact CE-CD1 3.25Å; M566-I595 HydrophobicContact CE-CG1 3.67Å; M566-L643 HydrophobicContact CE-CD1 3.68Å; M566-L643 HydrophobicContact SD-CD1 4.06Å; M566-M657 HydrophobicContact CG-CG 4.35Å; M566-M657 HydrophobicContact CG-SD 4.49Å; M566-L658 PolarHBondContact N-O 2.88Å; M566-I659 HydrophobicContact CB-CB 4.5Å; M566-I659 HydrophobicContact CB-CG2 3.81Å; M566-I659 HydrophobicContact CG-CG2 3.57Å |
| 567 | T | 91 | Very high | 89.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | trans | -71 | -31.1 | -175.2 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | V565 R573 I577 C592 A593 | V565-T567 HydrophobicContact CB-CG2 3.93Å; V565-T567 HydrophobicContact CG1-CG2 3.46Å; V565-T567 VanDerWaalsContact CG1-CG2 3.46Å; V565-T567 PolarHBondContact O-N 2.71Å; T567-R573 WeakPolarHBondContact O-CD 3.47Å; T567-I577 HydrophobicContact CG2-CD1 3.99Å; T567-I577 HydrophobicContact CG2-CG1 3.49Å; T567-I577 VanDerWaalsContact CG2-CG1 3.49Å; T567-C592 HydrophobicContact CG2-CB 3.99Å; T567-A593 PolarHBondContact N-O 3.36Å; T567-A593 VanDerWaalsContact N-O 3.14Å; T567-A593 PolarHBondContact OG1-O 3Å | ||
| 568 | G | 90 | Very high | 89.9 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 65.1 | -149.1 | -155 | 0 | 0 | 0 | 0 | 0 | 108.9 | M566 P570 A593 | M566-G568 VanDerWaalsContact C-N 3.32Å; G568-P570 VanDerWaalsContact O-CD 3.25Å; G568-P570 WeakPolarHBondContact O-CD 3.21Å; G568-P570 VanDerWaalsContact O-N 3.13Å; G568-A593 PolarHBondContact N-O 3.35Å |
| 569 | E | 88.8 | Confident | 90.1 | Very high | 79 Ų | 79 | 32.3 Ų | 32.3 | 37% | 0.369 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -55.8 | 117.4 | 171.6 | -66.1 | -175.8 | -162.5 | 0 | 0 | 110.5 | M571 L572 E594 | E569-M571 PolarHBondContact O-N 2.92Å; E569-L572 HydrophobicContact CB-CB 4.46Å; E569-L572 HydrophobicContact CB-CD1 3.91Å; E569-L572 HydrophobicContact CB-CG 3.95Å; E569-L572 HydrophobicContact CG-CD1 4.32Å; E569-L572 PolarHBondContact O-N 3.44Å; E569-E594 WeakPolarHBondContact CG-OE1 3.32Å |
| 570 | P | 86 | Confident | 90.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.9 | -174.5 | -30.3 | 37.3 | 0 | 0 | 0 | 114.4 | G568 I577 Y615 W618 L619 F628 | G568-P570 VanDerWaalsContact O-CD 3.25Å; G568-P570 WeakPolarHBondContact O-CD 3.21Å; G568-P570 VanDerWaalsContact O-N 3.13Å; P570-I577 HydrophobicContact CB-CD1 3.71Å; P570-Y615 HydrophobicContact CG-CD1 4.35Å; P570-Y615 HydrophobicContact CG-CG 4.41Å; P570-W618 HydrophobicContact CB-CE3 3.96Å; P570-W618 HydrophobicContact CB-CH2 4.46Å; P570-W618 HydrophobicContact CB-CZ3 3.64Å; P570-L619 HydrophobicContact CB-CD2 4.38Å; P570-F628 HydrophobicContact CG-CD2 3.9Å; P570-F628 HydrophobicContact CG-CE2 3.43Å; P570-F628 VanDerWaalsContact CG-CE2 3.43Å; P570-F628 HydrophobicContact CG-CZ 4.25Å |
| 571 | M | 84.7 | Confident | 90.4 | Very high | 44 Ų | 44 | 24.6 Ų | 24.6 | 22% | 0.217 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30.2 | -179.8 | -67.1 | 176.8 | 156.8 | 0 | 0 | 113.1 | E569 W618 F755 I758 | E569-M571 PolarHBondContact O-N 2.92Å; M571-W618 HydrophobicContact CE-CD2 4.47Å; M571-W618 HydrophobicContact CE-CG 4Å; M571-W618 HydrophobicContact CG-CD2 4.34Å; M571-W618 HydrophobicContact CG-CZ2 4.03Å; M571-F755 HydrophobicContact CE-CE1 4.38Å; M571-F755 HydrophobicContact CE-CZ 4.47Å; M571-I758 HydrophobicContact CE-CG2 3.93Å; M571-I758 HydrophobicContact SD-CG2 3.86Å |
| 572 | L | 85.1 | Confident | 90.3 | Very high | 121 Ų | 121 | 24.8 Ų | 24.8 | 63% | 0.634 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -24.1 | -176.3 | -62.4 | -180 | 0 | 0 | 0 | 112.8 | E569 P574 | E569-L572 HydrophobicContact CB-CB 4.46Å; E569-L572 HydrophobicContact CB-CD1 3.91Å; E569-L572 HydrophobicContact CB-CG 3.95Å; E569-L572 HydrophobicContact CG-CD1 4.32Å; E569-L572 PolarHBondContact O-N 3.44Å; L572-P574 VanDerWaalsContact C-CD 3.46Å |
| 573 | R | 85.3 | Confident | 90.2 | Very high | 113 Ų | 113 | 23.4 Ų | 23.4 | 43% | 0.426 | 12% | 0.121 | S | C | . | . | trans | -133.1 | 56.4 | -177.6 | -57.5 | -173 | -171.7 | 152.6 | 1.5 | 112.9 | T567 H575 L576 | T567-R573 WeakPolarHBondContact O-CD 3.47Å; R573-H575 PolarHBondContact O-N 2.83Å; R573-L576 HydrophobicContact CB-CD1 3.98Å; R573-L576 HydrophobicContact CB-CG 4.43Å; R573-L576 PolarHBondContact O-N 3.4Å | ||
| 574 | P | 85 | Confident | 90 | Very high | 22 Ų | 22 | 23.5 Ų | 23.5 | 14% | 0.143 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -30.7 | -179.5 | 25.6 | -34.4 | 0 | 0 | 0 | 112.2 | L572 L576 I577 D578 | L572-P574 VanDerWaalsContact C-CD 3.46Å; P574-L576 VanDerWaalsContact C-N 3.28Å; P574-L576 PolarHBondContact O-N 3.03Å; P574-I577 WeakPolarHBondContact O-CA 3.46Å; P574-I577 WeakPolarHBondContact O-CB 3.13Å; P574-I577 PolarHBondContact O-N 3.19Å; P574-D578 PolarHBondContact O-N 3.45Å |
| 575 | H | 85.6 | Confident | 89.5 | Confident | 28 Ų | 28 | 24.8 Ų | 24.8 | 13% | 0.13 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.1 | -33.4 | 179.1 | 66.5 | -89.7 | 0 | 0 | 0 | 113.7 | R573 F579 I699 F769 | R573-H575 PolarHBondContact O-N 2.83Å; H575-F579 VanDerWaalsContact O-CB 3.31Å; H575-F579 WeakPolarHBondContact O-CB 3.41Å; H575-F579 PolarHBondContact O-N 3.3Å; H575-I699 HydrophobicContact CB-CD1 4.29Å; H575-F769 HydrophobicContact CB-CD2 3.79Å; H575-F769 HydrophobicContact CB-CE2 3.88Å; H575-F769 WeakPolarHBondContact O-CD2 3.21Å |
| 576 | L | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.2 | -40.3 | 174.4 | -74.9 | 172.4 | 0 | 0 | 0 | 111.3 | V565 R573 P574 A580 L693 | V565-L576 HydrophobicContact CG1-CB 4.12Å; R573-L576 HydrophobicContact CB-CD1 3.98Å; R573-L576 HydrophobicContact CB-CG 4.43Å; R573-L576 PolarHBondContact O-N 3.4Å; P574-L576 VanDerWaalsContact C-N 3.28Å; P574-L576 PolarHBondContact O-N 3.03Å; L576-A580 WeakPolarHBondContact O-CB 3.35Å; L576-A580 PolarHBondContact O-N 3.43Å; L576-L693 HydrophobicContact CD2-CB 4.09Å; L576-L693 HydrophobicContact CD2-CD2 3.79Å |
| 577 | I | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 179.3 | -57.1 | 173.1 | 0 | 0 | 0 | 109.7 | T567 P570 P574 F579 A580 S581 W618 L619 Y624 | T567-I577 HydrophobicContact CG2-CD1 3.99Å; T567-I577 HydrophobicContact CG2-CG1 3.49Å; T567-I577 VanDerWaalsContact CG2-CG1 3.49Å; P570-I577 HydrophobicContact CB-CD1 3.71Å; P574-I577 WeakPolarHBondContact O-CA 3.46Å; P574-I577 WeakPolarHBondContact O-CB 3.13Å; P574-I577 PolarHBondContact O-N 3.19Å; I577-F579 PolarHBondContact O-N 3.17Å; I577-A580 PolarHBondContact O-N 3.18Å; I577-S581 WeakPolarHBondContact O-CB 3.48Å; I577-S581 PolarHBondContact O-N 2.99Å; I577-W618 HydrophobicContact CD1-CZ3 4.46Å; I577-L619 HydrophobicContact CD1-CD2 4.08Å; I577-L619 HydrophobicContact CG2-CD2 4.44Å; I577-Y624 HydrophobicContact CG2-CD1 3.73Å; I577-Y624 HydrophobicContact CG2-CD2 3.95Å; I577-Y624 HydrophobicContact CG2-CE1 3.71Å; I577-Y624 HydrophobicContact CG2-CE2 3.93Å; I577-Y624 HydrophobicContact CG2-CG 3.84Å |
| 578 | D | 89.1 | Confident | 88.6 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.5 | -68.9 | -23.3 | 0 | 0 | 0 | 112.2 | P574 S581 S582 Y624 F769 F770 | P574-D578 PolarHBondContact O-N 3.45Å; D578-S581 PolarHBondContact O-N 3.45Å; D578-S582 WeakPolarHBondContact O-CB 3.3Å; D578-S582 PolarHBondContact O-N 3.29Å; D578-S582 PolarHBondContact O-OG 3.03Å; D578-Y624 WeakPolarHBondContact OD1-CE1 3.41Å; D578-Y624 VanDerWaalsContact OD1-CZ 3.28Å; D578-Y624 PolarHBondContact OD1-OH 3.19Å; D578-F769 HydrophobicContact CB-CB 3.67Å; D578-F770 VanDerWaalsContact CG-CD2 3.49Å; D578-F770 VanDerWaalsContact OD1-CD2 3.28Å; D578-F770 WeakPolarHBondContact OD1-CD2 3.35Å; D578-F770 WeakPolarHBondContact OD1-CE2 3.38Å; D578-F770 WeakPolarHBondContact OD2-CD2 3.29Å |
| 579 | F | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | 177.6 | -173.3 | -94.1 | 0 | 0 | 0 | 111 | H575 I577 S582 I583 L658 L693 F769 L797 Y803 L902 L935 | H575-F579 VanDerWaalsContact O-CB 3.31Å; H575-F579 WeakPolarHBondContact O-CB 3.41Å; H575-F579 PolarHBondContact O-N 3.3Å; I577-F579 PolarHBondContact O-N 3.17Å; F579-S582 WeakPolarHBondContact O-CB 3.46Å; F579-S582 PolarHBondContact O-N 2.9Å; F579-I583 HydrophobicContact CD1-CD1 3.93Å; F579-I583 HydrophobicContact CE1-CD1 3.48Å; F579-I583 VanDerWaalsContact CE1-CD1 3.48Å; F579-I583 HydrophobicContact CZ-CD1 4.14Å; F579-I583 PolarHBondContact O-N 2.92Å; F579-L658 HydrophobicContact CD1-CD2 4.15Å; F579-L693 HydrophobicContact CB-CD2 4.07Å; F579-L693 HydrophobicContact CD1-CD1 4.4Å; F579-L693 HydrophobicContact CD1-CD2 4.15Å; F579-L693 HydrophobicContact CD2-CD1 4.26Å; F579-L693 HydrophobicContact CD2-CD2 4.33Å; F579-L693 HydrophobicContact CE1-CD1 4.22Å; F579-L693 HydrophobicContact CE2-CD1 4.07Å; F579-L693 HydrophobicContact CG-CD1 4.42Å; F579-L693 HydrophobicContact CG-CD2 3.93Å; F579-L693 HydrophobicContact CZ-CD1 4.07Å; F579-F769 HydrophobicContact CB-CD2 4.39Å; F579-F769 HydrophobicContact CD2-CD1 4.3Å; F579-F769 HydrophobicContact CD2-CE1 4.08Å; F579-F769 HydrophobicContact CD2-CZ 4.3Å; F579-L797 HydrophobicContact CE2-CD1 4.12Å; F579-L797 HydrophobicContact CZ-CD1 4.09Å; F579-Y803 AromaticContact CD2-CE1 4Å; F579-Y803 HydrophobicContact CD2-CE1 4Å; F579-Y803 HydrophobicContact CE2-CE1 4.29Å; F579-Y803 WeakPolarHBondContact CE2-OH 3.5Å; F579-L902 HydrophobicContact CE2-CD1 4.28Å; F579-L902 HydrophobicContact CE2-CD2 4.25Å; F579-L902 HydrophobicContact CZ-CD2 4.47Å; F579-L935 HydrophobicContact CE1-CD1 3.73Å; F579-L935 HydrophobicContact CE1-CD2 4.11Å; F579-L935 HydrophobicContact CE1-CG 4.49Å; F579-L935 HydrophobicContact CZ-CD1 4.02Å; F579-L935 HydrophobicContact CZ-CD2 3.95Å; F579-L935 HydrophobicContact CZ-CG 4.4Å |
| 580 | A | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M563 V565 L576 I577 S582 I583 T584 L590 L658 | M563-A580 HydrophobicContact CE-CB 4.38Å; M563-A580 HydrophobicContact SD-CB 4.21Å; V565-A580 HydrophobicContact CG2-CB 3.51Å; L576-A580 WeakPolarHBondContact O-CB 3.35Å; L576-A580 PolarHBondContact O-N 3.43Å; I577-A580 PolarHBondContact O-N 3.18Å; A580-S582 PolarHBondContact O-N 2.89Å; A580-I583 PolarHBondContact O-N 3.48Å; A580-I583 VanDerWaalsContact O-N 3.08Å; A580-T584 PolarHBondContact O-N 3.26Å; A580-T584 PolarHBondContact O-OG1 3.31Å; A580-L590 HydrophobicContact CB-CD1 3.69Å; A580-L658 HydrophobicContact CB-CD2 3.91Å |
| 581 | S | 91.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 28.9 Ų | 28.9 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -32.5 | 176.2 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | I577 D578 I583 K585 | I577-S581 WeakPolarHBondContact O-CB 3.48Å; I577-S581 PolarHBondContact O-N 2.99Å; D578-S581 PolarHBondContact O-N 3.45Å; S581-I583 VanDerWaalsContact C-N 3.3Å; S581-I583 PolarHBondContact O-N 2.94Å; S581-K585 WeakPolarHBondContact O-CA 3.46Å; S581-K585 PolarHBondContact O-N 3.49Å |
| 582 | S | 90.2 | Very high | 90.1 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.7 | -28 | 174.9 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | D578 F579 A580 K585 | D578-S582 WeakPolarHBondContact O-CB 3.3Å; D578-S582 PolarHBondContact O-N 3.29Å; D578-S582 PolarHBondContact O-OG 3.03Å; F579-S582 WeakPolarHBondContact O-CB 3.46Å; F579-S582 PolarHBondContact O-N 2.9Å; A580-S582 PolarHBondContact O-N 2.89Å; S582-K585 WeakPolarHBondContact O-CE 3.31Å; S582-K585 VanDerWaalsContact O-CG 3.24Å; S582-K585 WeakPolarHBondContact O-CG 3.38Å |
| 583 | I | 92.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -81.8 | -47.6 | 175.7 | -65.1 | 169.8 | 0 | 0 | 0 | 110.8 | P561 M563 F579 A580 S581 L793 L796 L797 | P561-I583 HydrophobicContact CB-CG2 4.2Å; P561-I583 HydrophobicContact CG-CG2 4.05Å; M563-I583 HydrophobicContact CE-CD1 4.12Å; M563-I583 HydrophobicContact SD-CB 3.95Å; M563-I583 HydrophobicContact SD-CD1 4.16Å; M563-I583 HydrophobicContact SD-CG2 3.82Å; F579-I583 HydrophobicContact CD1-CD1 3.93Å; F579-I583 HydrophobicContact CE1-CD1 3.48Å; F579-I583 VanDerWaalsContact CE1-CD1 3.48Å; F579-I583 HydrophobicContact CZ-CD1 4.14Å; F579-I583 PolarHBondContact O-N 2.92Å; A580-I583 PolarHBondContact O-N 3.48Å; A580-I583 VanDerWaalsContact O-N 3.08Å; S581-I583 VanDerWaalsContact C-N 3.3Å; S581-I583 PolarHBondContact O-N 2.94Å; I583-L793 HydrophobicContact CD1-CD2 4.43Å; I583-L793 HydrophobicContact CG2-CD2 3.76Å; I583-L796 HydrophobicContact CG2-CD1 4.27Å; I583-L797 HydrophobicContact CG1-CD2 3.82Å; I583-L797 HydrophobicContact CG1-CG 4.14Å |
| 584 | T | 91.8 | Very high | 91 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -79.1 | -28.7 | -173.9 | 60 | 0 | 0 | 0 | 0 | 113.8 | M563 A580 D586 T587 S588 L590 | M563-T584 HydrophobicContact CB-CG2 4.31Å; M563-T584 HydrophobicContact CG-CG2 3.93Å; M563-T584 HydrophobicContact SD-CG2 3.92Å; A580-T584 PolarHBondContact O-N 3.26Å; A580-T584 PolarHBondContact O-OG1 3.31Å; T584-D586 VanDerWaalsContact C-N 3.27Å; T584-D586 PolarHBondContact O-N 3.39Å; T584-D586 VanDerWaalsContact O-N 3.17Å; T584-T587 PolarHBondContact O-N 3.07Å; T584-T587 PolarHBondContact O-OG1 3.3Å; T584-S588 PolarHBondContact O-N 2.99Å; T584-L590 HydrophobicContact CG2-CB 4.26Å; T584-L590 HydrophobicContact CG2-CD1 4.43Å |
| 585 | K | 86.2 | Confident | 91.5 | Very high | 28 Ų | 28 | 16.1 Ų | 16.1 | 12% | 0.122 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.5 | 171.3 | -56.8 | -175.8 | -179.6 | -158.8 | 0 | 115.3 | S581 S582 T587 L796 L799 P800 | S581-K585 WeakPolarHBondContact O-CA 3.46Å; S581-K585 PolarHBondContact O-N 3.49Å; S582-K585 WeakPolarHBondContact O-CE 3.31Å; S582-K585 VanDerWaalsContact O-CG 3.24Å; S582-K585 WeakPolarHBondContact O-CG 3.38Å; K585-T587 PolarHBondContact O-N 2.9Å; K585-L796 WeakPolarHBondContact CE-O 3.46Å; K585-L796 PolarHBondContact NZ-O 3.02Å; K585-L799 VanDerWaalsContact NZ-C 3.27Å; K585-L799 VanDerWaalsContact NZ-CB 3.29Å; K585-L799 PolarHBondContact NZ-O 3Å; K585-P800 PolarHBondContact NZ-O 3.23Å |
| 586 | D | 84.7 | Confident | 91.8 | Very high | 57 Ų | 57 | 16.4 Ų | 16.4 | 31% | 0.305 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 10.1 | -176.2 | -60.2 | -28.2 | 0 | 0 | 0 | 114.9 | T584 R625 | T584-D586 VanDerWaalsContact C-N 3.27Å; T584-D586 PolarHBondContact O-N 3.39Å; T584-D586 VanDerWaalsContact O-N 3.17Å; D586-R625 HydrophobicContact CB-CG 4.35Å; D586-R625 VanDerWaalsContact CG-CD 3.48Å; D586-R625 WeakPolarHBondContact OD1-CB 3.32Å; D586-R625 WeakPolarHBondContact OD1-CD 3.23Å; D586-R625 VanDerWaalsContact OD1-CG 3.26Å; D586-R625 WeakPolarHBondContact OD1-CG 3.11Å; D586-R625 IonicContact OD1-NE 3.59Å; D586-R625 IonicContact OD2-NE 3Å |
| 587 | T | 87.1 | Confident | 91.8 | Very high | 93 Ų | 93 | 19.9 Ų | 19.9 | 57% | 0.571 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -17.8 | -177.7 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | T584 K585 | T584-T587 PolarHBondContact O-N 3.07Å; T584-T587 PolarHBondContact O-OG1 3.3Å; K585-T587 PolarHBondContact O-N 2.9Å |
| 588 | S | 91.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 12% | 0.119 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -123.4 | 157.8 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | P561 T584 L590 | P561-S588 WeakPolarHBondContact O-CB 3.44Å; T584-S588 PolarHBondContact O-N 2.99Å; S588-L590 PolarHBondContact O-N 2.9Å |
| 589 | L | 94.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.12 | 17% | 0.167 | C | C | . | . | trans | -63.6 | 128.3 | 179.4 | 179.6 | 65.2 | 0 | 0 | 0 | 110.6 | Q562 M563 I591 F627 L652 | Q562-L589 CarbonylContact C-O 3.58Å; Q562-L589 WeakPolarHBondContact CA-O 3.2Å; Q562-L589 HydrophobicContact CB-CB 4.02Å; Q562-L589 HydrophobicContact CB-CD2 4.49Å; Q562-L589 HydrophobicContact CG-CB 4.04Å; M563-L589 PolarHBondContact N-O 3.47Å; L589-I591 HydrophobicContact CD1-CD1 4.4Å; L589-I591 HydrophobicContact CD1-CG1 4.06Å; L589-I591 HydrophobicContact CD2-CD1 4.03Å; L589-I591 HydrophobicContact CD2-CG1 4.36Å; L589-I591 HydrophobicContact CG-CD1 4.26Å; L589-I591 HydrophobicContact CG-CG1 4.03Å; L589-F627 HydrophobicContact CD1-CD2 3.71Å; L589-F627 HydrophobicContact CD1-CE2 3.78Å; L589-L652 HydrophobicContact CD2-CB 4.31Å | ||
| 590 | L | 95.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.2 | 172.6 | 179.2 | 59.2 | 0 | 0 | 0 | 108.7 | M563 V565 A580 T584 S588 S626 F627 | M563-L590 HydrophobicContact CB-CD1 4.09Å; V565-L590 HydrophobicContact CG2-CD1 3.53Å; A580-L590 HydrophobicContact CB-CD1 3.69Å; T584-L590 HydrophobicContact CG2-CB 4.26Å; T584-L590 HydrophobicContact CG2-CD1 4.43Å; S588-L590 PolarHBondContact O-N 2.9Å; L590-S626 CarbonylContact O-C 3.45Å; L590-S626 VanDerWaalsContact O-CA 3.24Å; L590-S626 WeakPolarHBondContact O-CA 3.42Å; L590-S626 WeakPolarHBondContact O-CB 3.25Å; L590-F627 PolarHBondContact O-N 3.5Å |
| 591 | I | 96 | Very high | 90.8 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.046 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.1 | 175.4 | -56.8 | 179.3 | 0 | 0 | 0 | 107.5 | M563 L564 V565 L589 F627 H629 C647 P654 | M563-I591 PolarHBondContact O-N 3.12Å; L564-I591 CarbonylContact C-O 3.59Å; L564-I591 WeakPolarHBondContact CA-O 3.42Å; L564-I591 HydrophobicContact CD1-CB 4.14Å; L564-I591 HydrophobicContact CD1-CG2 3.88Å; V565-I591 PolarHBondContact N-O 3.27Å; L589-I591 HydrophobicContact CD1-CD1 4.4Å; L589-I591 HydrophobicContact CD1-CG1 4.06Å; L589-I591 HydrophobicContact CD2-CD1 4.03Å; L589-I591 HydrophobicContact CD2-CG1 4.36Å; L589-I591 HydrophobicContact CG-CD1 4.26Å; L589-I591 HydrophobicContact CG-CG1 4.03Å; I591-F627 CarbonylContact C-O 3.53Å; I591-F627 WeakPolarHBondContact CA-O 3.43Å; I591-F627 HydrophobicContact CG1-CB 4.43Å; I591-H629 HydrophobicContact CG2-CB 4.1Å; I591-C647 HydrophobicContact CD1-CB 4.34Å; I591-P654 HydrophobicContact CD1-CG 4.38Å |
| 592 | C | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 134.3 | 168.4 | -58.9 | 0 | 0 | 0 | 0 | 108.4 | T567 L619 F627 F628 H629 | T567-C592 HydrophobicContact CG2-CB 3.99Å; C592-L619 HydrophobicContact CB-CD1 4.44Å; C592-F627 PolarHBondContact N-O 3.2Å; C592-F628 HydrophobicContact CB-CD2 4Å; C592-F628 CarbonylContact O-C 3.37Å; C592-F628 VanDerWaalsContact O-CA 3.31Å; C592-F628 WeakPolarHBondContact O-CA 3.27Å; C592-H629 PolarHBondContact O-N 3.2Å |
| 593 | A | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | L564 V565 M566 T567 G568 H629 L643 | L564-A593 HydrophobicContact CD1-CB 3.74Å; V565-A593 PolarHBondContact O-N 3.29Å; M566-A593 HydrophobicContact SD-CB 4.09Å; T567-A593 PolarHBondContact N-O 3.36Å; T567-A593 VanDerWaalsContact N-O 3.14Å; T567-A593 PolarHBondContact OG1-O 3Å; G568-A593 PolarHBondContact N-O 3.35Å; A593-H629 VanDerWaalsContact CA-O 3.23Å; A593-H629 WeakPolarHBondContact CA-O 3.36Å; A593-L643 HydrophobicContact CB-CD1 3.86Å; A593-L643 HydrophobicContact CB-CD2 4.14Å |
| 594 | E | 94.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.7 | 175.6 | 178.1 | 177.2 | 178.5 | 0 | 0 | 109.8 | E569 L596 Y615 F628 H629 L630 V631 | E569-E594 WeakPolarHBondContact CG-OE1 3.32Å; E594-L596 HydrophobicContact CG-CD2 4.44Å; E594-L596 VanDerWaalsContact OE1-CD2 3.27Å; E594-L596 WeakPolarHBondContact OE1-CD2 3.4Å; E594-Y615 VanDerWaalsContact OE2-CE2 3.29Å; E594-Y615 WeakPolarHBondContact OE2-CE2 3.04Å; E594-F628 HydrophobicContact CB-CE2 4.25Å; E594-F628 HydrophobicContact CB-CZ 3.71Å; E594-F628 WeakPolarHBondContact OE2-CZ 3.24Å; E594-H629 PolarHBondContact N-O 3.34Å; E594-H629 VanDerWaalsContact N-O 3.08Å; E594-L630 HydrophobicContact CB-CD1 3.68Å; E594-L630 HydrophobicContact CG-CD1 3.76Å; E594-V631 PolarHBondContact O-N 3.3Å |
| 595 | I | 94.2 | Very high | 89.5 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 110.8 | 175.2 | -58.6 | 169.5 | 0 | 0 | 0 | 107.5 | M566 V597 V631 T633 M636 A640 L643 | M566-I595 HydrophobicContact CE-CD1 3.25Å; M566-I595 HydrophobicContact CE-CG1 3.67Å; I595-V597 HydrophobicContact CG2-CG2 4.23Å; I595-V597 PolarHBondContact O-N 3.23Å; I595-V631 CarbonylContact C-O 3.56Å; I595-V631 WeakPolarHBondContact CA-O 3.39Å; I595-T633 VanDerWaalsContact CG2-OG1 3.28Å; I595-T633 WeakPolarHBondContact CG2-OG1 3.46Å; I595-M636 HydrophobicContact CD1-CG 4.25Å; I595-M636 VanDerWaalsContact CD1-O 3.32Å; I595-M636 WeakPolarHBondContact CD1-O 3.49Å; I595-A640 HydrophobicContact CD1-CB 3.94Å; I595-A640 VanDerWaalsContact CD1-N 3.27Å; I595-L643 HydrophobicContact CD1-CD1 4.01Å; I595-L643 HydrophobicContact CG1-CD1 3.63Å |
| 596 | L | 92.3 | Very high | 89.6 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 103 | 174.2 | -69.8 | 175.1 | 0 | 0 | 0 | 109.6 | E594 Q598 L608 L630 V631 S632 T633 | E594-L596 HydrophobicContact CG-CD2 4.44Å; E594-L596 VanDerWaalsContact OE1-CD2 3.27Å; E594-L596 WeakPolarHBondContact OE1-CD2 3.4Å; L596-Q598 PolarHBondContact O-N 3.45Å; L596-L608 HydrophobicContact CD1-CD2 3.85Å; L596-L630 HydrophobicContact CD1-CD1 3.74Å; L596-L630 HydrophobicContact CD1-CD2 3.9Å; L596-L630 HydrophobicContact CD1-CG 4.03Å; L596-L630 HydrophobicContact CG-CD1 3.78Å; L596-L630 HydrophobicContact CG-CG 4.49Å; L596-V631 PolarHBondContact N-O 3.33Å; L596-S632 WeakPolarHBondContact O-CA 3.44Å; L596-S632 PolarHBondContact O-OG 2.96Å; L596-T633 PolarHBondContact O-N 3.1Å |
| 597 | V | 91.5 | Very high | 89.7 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 113.8 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | I595 T633 K634 M636 | I595-V597 HydrophobicContact CG2-CG2 4.23Å; I595-V597 PolarHBondContact O-N 3.23Å; V597-T633 WeakPolarHBondContact CA-O 3.47Å; V597-K634 WeakPolarHBondContact CG1-O 3.5Å; V597-M636 HydrophobicContact CG2-CB 4.21Å |
| 598 | Q | 87.8 | Confident | 89.8 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | trans | -142.5 | 146.2 | -174.6 | -70.6 | -75.1 | -14.6 | 0 | 0 | 110.4 | L596 F600 L604 T633 | L596-Q598 PolarHBondContact O-N 3.45Å; Q598-F600 VanDerWaalsContact C-N 3.31Å; Q598-F600 PolarHBondContact O-N 3.4Å; Q598-L604 HydrophobicContact CB-CD1 4.09Å; Q598-L604 HydrophobicContact CG-CD1 3.52Å; Q598-T633 PolarHBondContact N-O 3.05Å | ||
| 599 | Q | 85.7 | Confident | 89.8 | Confident | 150 Ų | 150 | 66 Ų | 66 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -65.7 | -36.6 | 179.9 | -169 | 176.7 | 9.6 | 0 | 0 | 112.1 | P601 | Q599-P601 WeakPolarHBondContact O-CD 3.32Š|
| 600 | F | 86.7 | Confident | 89.6 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | trans | -123.2 | 75.1 | 180 | -57 | -74.3 | 0 | 0 | 0 | 110.8 | Q598 E602 R603 | Q598-F600 VanDerWaalsContact C-N 3.31Å; Q598-F600 PolarHBondContact O-N 3.4Å; F600-E602 PolarHBondContact O-N 2.96Å; F600-E602 VanDerWaalsContact O-N 3.14Å; F600-R603 HydrophobicContact CB-CG 4.27Å; F600-R603 PolarHBondContact O-N 3.26Å | ||
| 601 | P | 83.4 | Confident | 89.3 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.8 | -27.8 | -174.1 | 24.7 | -34.4 | 0 | 0 | 0 | 113.1 | Q599 R603 L604 S632 K634 | Q599-P601 WeakPolarHBondContact O-CD 3.32Å; P601-R603 VanDerWaalsContact C-N 3.29Å; P601-R603 PolarHBondContact O-N 2.97Å; P601-L604 PolarHBondContact O-N 3.41Å; P601-S632 WeakPolarHBondContact CA-OG 3.41Å; P601-S632 VanDerWaalsContact CB-OG 3.26Å; P601-S632 WeakPolarHBondContact CB-OG 3.47Å; P601-K634 HydrophobicContact CG-CG 4.26Å |
| 602 | E | 86.4 | Confident | 89.1 | Confident | 155 Ų | 155 | 74 Ų | 74 | 72% | 0.724 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59 | -34.9 | -179.3 | -61.7 | 169.9 | -150 | 0 | 0 | 113.5 | F600 L604 I605 | F600-E602 PolarHBondContact O-N 2.96Å; F600-E602 VanDerWaalsContact O-N 3.14Å; E602-L604 VanDerWaalsContact C-N 3.28Å; E602-L604 PolarHBondContact O-N 3.5Å; E602-I605 PolarHBondContact O-N 3.49Å |
| 603 | R | 83.3 | Confident | 88.8 | Confident | 194 Ų | 194 | 77.3 Ų | 77.3 | 73% | 0.732 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.8 | -31.4 | -178.3 | -67.2 | -176.6 | -179.6 | 175.3 | 0.4 | 112.4 | F600 P601 | F600-R603 HydrophobicContact CB-CG 4.27Å; F600-R603 PolarHBondContact O-N 3.26Å; P601-R603 VanDerWaalsContact C-N 3.29Å; P601-R603 PolarHBondContact O-N 2.97Å |
| 604 | L | 83.6 | Confident | 88.6 | Confident | 46 Ų | 46 | 84.6 Ų | 84.6 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -85 | -16.1 | -176.5 | -82 | 143.6 | 0 | 0 | 0 | 113.4 | Q598 P601 E602 K606 T607 L608 | Q598-L604 HydrophobicContact CB-CD1 4.09Å; Q598-L604 HydrophobicContact CG-CD1 3.52Å; P601-L604 PolarHBondContact O-N 3.41Å; E602-L604 VanDerWaalsContact C-N 3.28Å; E602-L604 PolarHBondContact O-N 3.5Å; L604-K606 PolarHBondContact O-N 2.91Å; L604-T607 WeakPolarHBondContact O-CA 3.33Å; L604-T607 PolarHBondContact O-N 3.5Å; L604-T607 PolarHBondContact O-OG1 3.09Å; L604-L608 HydrophobicContact CB-CD2 4.37Å; L604-L608 WeakPolarHBondContact O-CG 3.27Å; L604-L608 PolarHBondContact O-N 2.91Å; L604-L608 VanDerWaalsContact O-N 3.08Å |
| 605 | I | 85.4 | Confident | 88.5 | Confident | 104 Ų | 104 | 86 Ų | 86 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -38.7 | -174 | -65.1 | 177.1 | 0 | 0 | 0 | 112.3 | E602 T607 P609 | E602-I605 PolarHBondContact O-N 3.49Å; I605-T607 VanDerWaalsContact C-N 3.31Å; I605-T607 PolarHBondContact O-N 2.95Å; I605-P609 WeakPolarHBondContact O-CD 3.5Å |
| 606 | K | 86.5 | Confident | 88.4 | Confident | 191 Ų | 191 | 86.7 Ų | 86.7 | 83% | 0.83 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -31.7 | 177.8 | -67.4 | -175 | -179 | 179.4 | 0 | 113.5 | L604 | L604-K606 PolarHBondContact O-N 2.91Š|
| 607 | T | 87.9 | Confident | 88.3 | Confident | 61 Ų | 61 | 88.8 Ų | 88.8 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -17.2 | -177.3 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | L604 I605 P609 D610 I611 | L604-T607 WeakPolarHBondContact O-CA 3.33Å; L604-T607 PolarHBondContact O-N 3.5Å; L604-T607 PolarHBondContact O-OG1 3.09Å; I605-T607 VanDerWaalsContact C-N 3.31Å; I605-T607 PolarHBondContact O-N 2.95Å; T607-P609 VanDerWaalsContact C-CD 3.49Å; T607-D610 PolarHBondContact O-N 3.14Å; T607-I611 WeakPolarHBondContact O-CG1 3.29Å; T607-I611 PolarHBondContact O-N 3.34Å |
| 608 | L | 89.6 | Confident | 88.2 | Confident | 22 Ų | 22 | 86.2 Ų | 86.2 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.6 | -42.7 | -179.3 | -62.3 | 180 | 0 | 0 | 0 | 113.6 | L596 L604 D610 I611 Q612 L630 | L596-L608 HydrophobicContact CD1-CD2 3.85Å; L604-L608 HydrophobicContact CB-CD2 4.37Å; L604-L608 WeakPolarHBondContact O-CG 3.27Å; L604-L608 PolarHBondContact O-N 2.91Å; L604-L608 VanDerWaalsContact O-N 3.08Å; L608-D610 VanDerWaalsContact C-N 3.29Å; L608-D610 PolarHBondContact O-N 3.41Å; L608-I611 PolarHBondContact O-N 3Å; L608-Q612 WeakPolarHBondContact O-CB 3.35Å; L608-Q612 PolarHBondContact O-N 3.01Å; L608-L630 HydrophobicContact CB-CD2 4.2Å; L608-L630 HydrophobicContact CD2-CD2 3.61Å; L608-L630 HydrophobicContact CD2-CG 4.04Å; L608-L630 HydrophobicContact CG-CD2 4.47Å |
| 609 | P | 90.5 | Very high | 88.4 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 179.4 | -24.2 | 35.5 | 0 | 0 | 0 | 113.3 | I605 T607 S613 | I605-P609 WeakPolarHBondContact O-CD 3.5Å; T607-P609 VanDerWaalsContact C-CD 3.49Å; P609-S613 VanDerWaalsContact O-CB 3.32Å; P609-S613 WeakPolarHBondContact O-CB 3.36Å; P609-S613 PolarHBondContact O-N 3.06Å; P609-S613 PolarHBondContact O-OG 3.21Å |
| 610 | D | 89.2 | Confident | 88.5 | Confident | 109 Ų | 109 | 80.9 Ų | 80.9 | 58% | 0.583 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.1 | -43.1 | 178.9 | -63.7 | -23.3 | 0 | 0 | 0 | 110.8 | T607 L608 S613 R614 | T607-D610 PolarHBondContact O-N 3.14Å; L608-D610 VanDerWaalsContact C-N 3.29Å; L608-D610 PolarHBondContact O-N 3.41Å; D610-S613 PolarHBondContact O-N 2.86Å; D610-R614 WeakPolarHBondContact O-CG 3.4Å; D610-R614 PolarHBondContact O-N 3.37Å |
| 611 | I | 89.5 | Confident | 88.6 | Confident | 26 Ų | 26 | 83.4 Ų | 83.4 | 13% | 0.133 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 174.1 | -60.4 | 165.8 | 0 | 0 | 0 | 110.4 | T607 L608 S613 R614 Y615 L630 | T607-I611 WeakPolarHBondContact O-CG1 3.29Å; T607-I611 PolarHBondContact O-N 3.34Å; L608-I611 PolarHBondContact O-N 3Å; I611-S613 VanDerWaalsContact C-N 3.31Å; I611-S613 PolarHBondContact O-N 2.98Å; I611-R614 PolarHBondContact O-N 3.08Å; I611-Y615 HydrophobicContact CG2-CD2 3.74Å; I611-Y615 HydrophobicContact CG2-CE2 3.44Å; I611-Y615 VanDerWaalsContact CG2-CE2 3.44Å; I611-Y615 WeakPolarHBondContact O-CD2 3.49Å; I611-Y615 PolarHBondContact O-N 2.93Å; I611-L630 HydrophobicContact CB-CD2 3.8Å; I611-L630 HydrophobicContact CD1-CD2 4.46Å; I611-L630 HydrophobicContact CG2-CD2 3.64Å |
| 612 | Q | 92 | Very high | 88.7 | Confident | 67 Ų | 67 | 86.5 Ų | 86.5 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 178 | 170.9 | 163.8 | -34.4 | 0 | 0 | 112 | L608 Y615 S616 F628 L630 | L608-Q612 WeakPolarHBondContact O-CB 3.35Å; L608-Q612 PolarHBondContact O-N 3.01Å; Q612-Y615 PolarHBondContact O-N 2.96Å; Q612-S616 WeakPolarHBondContact O-CB 3.22Å; Q612-S616 PolarHBondContact O-N 2.94Å; Q612-S616 PolarHBondContact O-OG 3.1Å; Q612-F628 HydrophobicContact CB-CD1 4.28Å; Q612-F628 HydrophobicContact CG-CD1 4.07Å; Q612-F628 PolarHBondContact NE2-O 3.4Å; Q612-L630 HydrophobicContact CB-CB 4.36Å |
| 613 | S | 90.2 | Very high | 88.7 | Confident | 69 Ų | 69 | 87.7 Ų | 87.7 | 48% | 0.483 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.4 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | P609 D610 I611 S616 L617 | P609-S613 VanDerWaalsContact O-CB 3.32Å; P609-S613 WeakPolarHBondContact O-CB 3.36Å; P609-S613 PolarHBondContact O-N 3.06Å; P609-S613 PolarHBondContact O-OG 3.21Å; D610-S613 PolarHBondContact O-N 2.86Å; I611-S613 VanDerWaalsContact C-N 3.31Å; I611-S613 PolarHBondContact O-N 2.98Å; S613-S616 PolarHBondContact O-N 3.44Å; S613-S616 PolarHBondContact O-OG 3.45Å; S613-L617 WeakPolarHBondContact O-CB 3.5Å; S613-L617 PolarHBondContact O-N 3.41Å |
| 614 | R | 90.2 | Very high | 88.9 | Confident | 153 Ų | 153 | 79.3 Ų | 79.3 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.2 | -47.4 | 176.4 | -72.6 | -173.3 | -65.1 | 159.6 | 0.3 | 112.6 | D610 I611 L617 W618 | D610-R614 WeakPolarHBondContact O-CG 3.4Å; D610-R614 PolarHBondContact O-N 3.37Å; I611-R614 PolarHBondContact O-N 3.08Å; R614-L617 PolarHBondContact O-N 3.33Å; R614-W618 PolarHBondContact O-N 3.38Å |
| 615 | Y | 92.5 | Very high | 89.3 | Confident | 38 Ų | 38 | 85.2 Ų | 85.2 | 15% | 0.149 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 178.1 | -70.7 | -47.1 | 0 | 0 | 0 | 112.8 | P570 E594 I611 Q612 L617 W618 L619 F628 | P570-Y615 HydrophobicContact CG-CD1 4.35Å; P570-Y615 HydrophobicContact CG-CG 4.41Å; E594-Y615 VanDerWaalsContact OE2-CE2 3.29Å; E594-Y615 WeakPolarHBondContact OE2-CE2 3.04Å; I611-Y615 HydrophobicContact CG2-CD2 3.74Å; I611-Y615 HydrophobicContact CG2-CE2 3.44Å; I611-Y615 VanDerWaalsContact CG2-CE2 3.44Å; I611-Y615 WeakPolarHBondContact O-CD2 3.49Å; I611-Y615 PolarHBondContact O-N 2.93Å; Q612-Y615 PolarHBondContact O-N 2.96Å; Y615-L617 VanDerWaalsContact C-N 3.31Å; Y615-L617 PolarHBondContact O-N 3.36Å; Y615-W618 PolarHBondContact O-N 2.87Å; Y615-L619 WeakPolarHBondContact O-CG 3.34Å; Y615-L619 PolarHBondContact O-N 3.43Å; Y615-F628 HydrophobicContact CD2-CD1 4.25Å; Y615-F628 AromaticContact CD2-CE1 3.43Å; Y615-F628 HydrophobicContact CD2-CE1 3.43Å; Y615-F628 VanDerWaalsContact CD2-CE1 3.43Å; Y615-F628 HydrophobicContact CD2-CE2 4.39Å; Y615-F628 AromaticContact CD2-CZ 3.5Å; Y615-F628 HydrophobicContact CD2-CZ 3.5Å; Y615-F628 HydrophobicContact CE2-CE1 4.36Å; Y615-F628 HydrophobicContact CE2-CZ 4.19Å; Y615-F628 HydrophobicContact CG-CD1 4.49Å; Y615-F628 HydrophobicContact CG-CE1 4.02Å; Y615-F628 HydrophobicContact CG-CZ 4.02Å |
| 616 | S | 91.6 | Very high | 89.6 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.1 | 77.4 | 0 | 0 | 0 | 0 | 112 | Q612 S613 L619 Q620 | Q612-S616 WeakPolarHBondContact O-CB 3.22Å; Q612-S616 PolarHBondContact O-N 2.94Å; Q612-S616 PolarHBondContact O-OG 3.1Å; S613-S616 PolarHBondContact O-N 3.44Å; S613-S616 PolarHBondContact O-OG 3.45Å; S616-L619 PolarHBondContact O-N 2.92Å; S616-Q620 WeakPolarHBondContact O-CG 3.43Å; S616-Q620 PolarHBondContact O-N 3.47Å |
| 617 | L | 90.5 | Very high | 90 | Very high | 77 Ų | 77 | 79 Ų | 79 | 40% | 0.403 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 175.6 | -171.9 | 69.7 | 0 | 0 | 0 | 111.5 | S613 R614 Y615 Q620 R621 | S613-L617 WeakPolarHBondContact O-CB 3.5Å; S613-L617 PolarHBondContact O-N 3.41Å; R614-L617 PolarHBondContact O-N 3.33Å; Y615-L617 VanDerWaalsContact C-N 3.31Å; Y615-L617 PolarHBondContact O-N 3.36Å; L617-Q620 PolarHBondContact O-N 3.4Å; L617-R621 WeakPolarHBondContact O-CB 3.39Å; L617-R621 VanDerWaalsContact O-CG 3.29Å; L617-R621 WeakPolarHBondContact O-CG 3.26Å; L617-R621 PolarHBondContact O-N 3.28Å |
| 618 | W | 90.5 | Very high | 90.3 | Very high | 21 Ų | 21 | 76.5 Ų | 76.5 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 174.4 | -177.8 | 91.2 | 0 | 0 | 0 | 111.8 | P570 M571 I577 R614 Y615 Q620 R621 Q622 Y624 | P570-W618 HydrophobicContact CB-CE3 3.96Å; P570-W618 HydrophobicContact CB-CH2 4.46Å; P570-W618 HydrophobicContact CB-CZ3 3.64Å; M571-W618 HydrophobicContact CE-CD2 4.47Å; M571-W618 HydrophobicContact CE-CG 4Å; M571-W618 HydrophobicContact CG-CD2 4.34Å; M571-W618 HydrophobicContact CG-CZ2 4.03Å; I577-W618 HydrophobicContact CD1-CZ3 4.46Å; R614-W618 PolarHBondContact O-N 3.38Å; Y615-W618 PolarHBondContact O-N 2.87Å; W618-Q620 VanDerWaalsContact C-N 3.3Å; W618-Q620 PolarHBondContact O-N 3.02Å; W618-R621 WeakPolarHBondContact O-CB 3.2Å; W618-R621 PolarHBondContact O-N 3.2Å; W618-R621 VanDerWaalsContact O-N 3.13Å; W618-Q622 HydrophobicContact CD2-CG 3.98Å; W618-Q622 HydrophobicContact CE3-CG 4.21Å; W618-Q622 HydrophobicContact CH2-CG 4Å; W618-Q622 HydrophobicContact CZ2-CG 3.76Å; W618-Q622 HydrophobicContact CZ3-CG 4.21Å; W618-Q622 WeakPolarHBondContact O-CG 3.31Å; W618-Q622 PolarHBondContact O-N 3.24Å; W618-Y624 HydrophobicContact CZ3-CE2 4.41Å |
| 619 | L | 90.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 176.5 | -72.3 | 165.5 | 0 | 0 | 0 | 111.8 | P570 I577 C592 Y615 S616 Q622 K623 Y624 F628 | P570-L619 HydrophobicContact CB-CD2 4.38Å; I577-L619 HydrophobicContact CD1-CD2 4.08Å; I577-L619 HydrophobicContact CG2-CD2 4.44Å; C592-L619 HydrophobicContact CB-CD1 4.44Å; Y615-L619 WeakPolarHBondContact O-CG 3.34Å; Y615-L619 PolarHBondContact O-N 3.43Å; S616-L619 PolarHBondContact O-N 2.92Å; L619-Q622 CarbonylContact O-C 3.48Å; L619-Q622 PolarHBondContact O-N 3.32Å; L619-K623 PolarHBondContact O-N 3.19Å; L619-K623 VanDerWaalsContact O-N 3.16Å; L619-Y624 HydrophobicContact CD2-CD2 3.86Å; L619-Y624 HydrophobicContact CD2-CG 4.48Å; L619-Y624 PolarHBondContact O-N 2.88Å; L619-F628 HydrophobicContact CD1-CB 3.86Å; L619-F628 HydrophobicContact CD1-CD2 4.05Å; L619-F628 HydrophobicContact CD1-CG 4.33Å |
| 620 | Q | 88.4 | Confident | 90.7 | Very high | 130 Ų | 130 | 75.3 Ų | 75.3 | 61% | 0.607 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 175 | -73.5 | 178 | 6.3 | 0 | 0 | 112.4 | S616 L617 W618 Q622 K623 | S616-Q620 WeakPolarHBondContact O-CG 3.43Å; S616-Q620 PolarHBondContact O-N 3.47Å; L617-Q620 PolarHBondContact O-N 3.4Å; W618-Q620 VanDerWaalsContact C-N 3.3Å; W618-Q620 PolarHBondContact O-N 3.02Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-Q622 PolarHBondContact O-N 2.95Å; Q620-K623 WeakPolarHBondContact O-CA 3.3Å; Q620-K623 PolarHBondContact O-N 3.16Å |
| 621 | R | 88.5 | Confident | 90.8 | Very high | 157 Ų | 157 | 70.9 Ų | 70.9 | 59% | 0.592 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.7 | -36.7 | 175.9 | -76.4 | 173.6 | 178 | 175.3 | -0.2 | 112.1 | L617 W618 K623 | L617-R621 WeakPolarHBondContact O-CB 3.39Å; L617-R621 VanDerWaalsContact O-CG 3.29Å; L617-R621 WeakPolarHBondContact O-CG 3.26Å; L617-R621 PolarHBondContact O-N 3.28Å; W618-R621 WeakPolarHBondContact O-CB 3.2Å; W618-R621 PolarHBondContact O-N 3.2Å; W618-R621 VanDerWaalsContact O-N 3.13Å; R621-K623 PolarHBondContact O-N 2.93Å |
| 622 | Q | 85.9 | Confident | 91 | Very high | 84 Ų | 84 | 70.5 Ų | 70.5 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -0.8 | 173.3 | -60.9 | -57.5 | -17.7 | 0 | 0 | 113.6 | W618 L619 Q620 Y624 | W618-Q622 HydrophobicContact CD2-CG 3.98Å; W618-Q622 HydrophobicContact CE3-CG 4.21Å; W618-Q622 HydrophobicContact CH2-CG 4Å; W618-Q622 HydrophobicContact CZ2-CG 3.76Å; W618-Q622 HydrophobicContact CZ3-CG 4.21Å; W618-Q622 WeakPolarHBondContact O-CG 3.31Å; W618-Q622 PolarHBondContact O-N 3.24Å; L619-Q622 CarbonylContact O-C 3.48Å; L619-Q622 PolarHBondContact O-N 3.32Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-Q622 PolarHBondContact O-N 2.95Å; Q622-Y624 VanDerWaalsContact C-N 3.31Å; Q622-Y624 HydrophobicContact CB-CD2 3.61Å; Q622-Y624 HydrophobicContact CB-CE2 3.55Å; Q622-Y624 HydrophobicContact CG-CE2 4.3Å; Q622-Y624 PolarHBondContact O-N 3.41Å |
| 623 | K | 86.1 | Confident | 91 | Very high | 181 Ų | 181 | 67.4 Ų | 67.4 | 79% | 0.787 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 20.8 | 179.4 | -52.5 | 178.8 | 178.3 | 176.9 | 0 | 115 | L619 Q620 R621 | L619-K623 PolarHBondContact O-N 3.19Å; L619-K623 VanDerWaalsContact O-N 3.16Å; Q620-K623 WeakPolarHBondContact O-CA 3.3Å; Q620-K623 PolarHBondContact O-N 3.16Å; R621-K623 PolarHBondContact O-N 2.93Å |
| 624 | Y | 88.6 | Confident | 91.1 | Very high | 18 Ų | 18 | 71.2 Ų | 71.2 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | trans | -76.4 | 128.8 | 169.4 | -60.5 | -68.6 | 0 | 0 | 0 | 110.4 | I577 D578 W618 L619 Q622 S626 F770 | I577-Y624 HydrophobicContact CG2-CD1 3.73Å; I577-Y624 HydrophobicContact CG2-CD2 3.95Å; I577-Y624 HydrophobicContact CG2-CE1 3.71Å; I577-Y624 HydrophobicContact CG2-CE2 3.93Å; I577-Y624 HydrophobicContact CG2-CG 3.84Å; D578-Y624 WeakPolarHBondContact OD1-CE1 3.41Å; D578-Y624 VanDerWaalsContact OD1-CZ 3.28Å; D578-Y624 PolarHBondContact OD1-OH 3.19Å; W618-Y624 HydrophobicContact CZ3-CE2 4.41Å; L619-Y624 HydrophobicContact CD2-CD2 3.86Å; L619-Y624 HydrophobicContact CD2-CG 4.48Å; L619-Y624 PolarHBondContact O-N 2.88Å; Q622-Y624 VanDerWaalsContact C-N 3.31Å; Q622-Y624 HydrophobicContact CB-CD2 3.61Å; Q622-Y624 HydrophobicContact CB-CE2 3.55Å; Q622-Y624 HydrophobicContact CG-CE2 4.3Å; Q622-Y624 PolarHBondContact O-N 3.41Å; Y624-S626 VanDerWaalsContact C-N 3.31Å; Y624-S626 PolarHBondContact O-N 2.67Å; Y624-S626 VanDerWaalsContact O-N 3.11Å; Y624-F770 HydrophobicContact CE1-CE2 4.29Å; Y624-F770 HydrophobicContact CE1-CZ 4.44Å; Y624-F770 WeakPolarHBondContact OH-CE2 3.44Å | ||
| 625 | R | 90.4 | Very high | 91.1 | Very high | 169 Ų | 169 | 65.2 Ų | 65.2 | 64% | 0.638 | 30% | 0.295 | S | S | * | . | trans | -85.5 | 76.6 | 170 | -60.8 | -165.4 | -169.2 | -178.2 | -10.9 | 110.5 | D586 | D586-R625 HydrophobicContact CB-CG 4.35Å; D586-R625 VanDerWaalsContact CG-CD 3.48Å; D586-R625 WeakPolarHBondContact OD1-CB 3.32Å; D586-R625 WeakPolarHBondContact OD1-CD 3.23Å; D586-R625 VanDerWaalsContact OD1-CG 3.26Å; D586-R625 WeakPolarHBondContact OD1-CG 3.11Å; D586-R625 IonicContact OD1-NE 3.59Å; D586-R625 IonicContact OD2-NE 3Å | ||
| 626 | S | 92.5 | Very high | 91.1 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | trans | -135.3 | 155.3 | 179.4 | 62.4 | 0 | 0 | 0 | 0 | 112 | L590 Y624 | L590-S626 CarbonylContact O-C 3.45Å; L590-S626 VanDerWaalsContact O-CA 3.24Å; L590-S626 WeakPolarHBondContact O-CA 3.42Å; L590-S626 WeakPolarHBondContact O-CB 3.25Å; Y624-S626 VanDerWaalsContact C-N 3.31Å; Y624-S626 PolarHBondContact O-N 2.67Å; Y624-S626 VanDerWaalsContact O-N 3.11Å | ||
| 627 | F | 94 | Very high | 91.1 | Very high | 143 Ų | 143 | 65.7 Ų | 65.7 | 63% | 0.627 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 152.2 | 165.3 | -61.7 | -79.4 | 0 | 0 | 0 | 109.4 | L589 L590 I591 C592 | L589-F627 HydrophobicContact CD1-CD2 3.71Å; L589-F627 HydrophobicContact CD1-CE2 3.78Å; L590-F627 PolarHBondContact O-N 3.5Å; I591-F627 CarbonylContact C-O 3.53Å; I591-F627 WeakPolarHBondContact CA-O 3.43Å; I591-F627 HydrophobicContact CG1-CB 4.43Å; C592-F627 PolarHBondContact N-O 3.2Å |
| 628 | F | 94.7 | Very high | 91.2 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.6 | 173.9 | -171.8 | -101.8 | 0 | 0 | 0 | 109.9 | P570 C592 E594 Q612 Y615 L619 L630 | P570-F628 HydrophobicContact CG-CD2 3.9Å; P570-F628 HydrophobicContact CG-CE2 3.43Å; P570-F628 VanDerWaalsContact CG-CE2 3.43Å; P570-F628 HydrophobicContact CG-CZ 4.25Å; C592-F628 HydrophobicContact CB-CD2 4Å; C592-F628 CarbonylContact O-C 3.37Å; C592-F628 VanDerWaalsContact O-CA 3.31Å; C592-F628 WeakPolarHBondContact O-CA 3.27Å; E594-F628 HydrophobicContact CB-CE2 4.25Å; E594-F628 HydrophobicContact CB-CZ 3.71Å; E594-F628 WeakPolarHBondContact OE2-CZ 3.24Å; Q612-F628 HydrophobicContact CB-CD1 4.28Å; Q612-F628 HydrophobicContact CG-CD1 4.07Å; Q612-F628 PolarHBondContact NE2-O 3.4Å; Y615-F628 HydrophobicContact CD2-CD1 4.25Å; Y615-F628 AromaticContact CD2-CE1 3.43Å; Y615-F628 HydrophobicContact CD2-CE1 3.43Å; Y615-F628 VanDerWaalsContact CD2-CE1 3.43Å; Y615-F628 HydrophobicContact CD2-CE2 4.39Å; Y615-F628 AromaticContact CD2-CZ 3.5Å; Y615-F628 HydrophobicContact CD2-CZ 3.5Å; Y615-F628 HydrophobicContact CE2-CE1 4.36Å; Y615-F628 HydrophobicContact CE2-CZ 4.19Å; Y615-F628 HydrophobicContact CG-CD1 4.49Å; Y615-F628 HydrophobicContact CG-CE1 4.02Å; Y615-F628 HydrophobicContact CG-CZ 4.02Å; L619-F628 HydrophobicContact CD1-CB 3.86Å; L619-F628 HydrophobicContact CD1-CD2 4.05Å; L619-F628 HydrophobicContact CD1-CG 4.33Å; F628-L630 HydrophobicContact CE1-CB 4.05Å; F628-L630 HydrophobicContact CE1-CD1 4.29Å; F628-L630 HydrophobicContact CZ-CD1 4.46Å |
| 629 | H | 94.3 | Very high | 91.4 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.6 | 178.7 | -153.8 | -58 | 0 | 0 | 0 | 110.5 | I591 C592 A593 E594 L643 | I591-H629 HydrophobicContact CG2-CB 4.1Å; C592-H629 PolarHBondContact O-N 3.2Å; A593-H629 VanDerWaalsContact CA-O 3.23Å; A593-H629 WeakPolarHBondContact CA-O 3.36Å; E594-H629 PolarHBondContact N-O 3.34Å; E594-H629 VanDerWaalsContact N-O 3.08Å; H629-L643 HydrophobicContact CB-CD2 4.32Å |
| 630 | L | 93.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.5 | 180 | -170.5 | 63.3 | 0 | 0 | 0 | 109.8 | E594 L596 L608 I611 Q612 F628 | E594-L630 HydrophobicContact CB-CD1 3.68Å; E594-L630 HydrophobicContact CG-CD1 3.76Å; L596-L630 HydrophobicContact CD1-CD1 3.74Å; L596-L630 HydrophobicContact CD1-CD2 3.9Å; L596-L630 HydrophobicContact CD1-CG 4.03Å; L596-L630 HydrophobicContact CG-CD1 3.78Å; L596-L630 HydrophobicContact CG-CG 4.49Å; L608-L630 HydrophobicContact CB-CD2 4.2Å; L608-L630 HydrophobicContact CD2-CD2 3.61Å; L608-L630 HydrophobicContact CD2-CG 4.04Å; L608-L630 HydrophobicContact CG-CD2 4.47Å; I611-L630 HydrophobicContact CB-CD2 3.8Å; I611-L630 HydrophobicContact CD1-CD2 4.46Å; I611-L630 HydrophobicContact CG2-CD2 3.64Å; Q612-L630 HydrophobicContact CB-CB 4.36Å; F628-L630 HydrophobicContact CE1-CB 4.05Å; F628-L630 HydrophobicContact CE1-CD1 4.29Å; F628-L630 HydrophobicContact CZ-CD1 4.46Å |
| 631 | V | 92.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.7 | 173.8 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | E594 I595 L596 T633 L643 | E594-V631 PolarHBondContact O-N 3.3Å; I595-V631 CarbonylContact C-O 3.56Å; I595-V631 WeakPolarHBondContact CA-O 3.39Å; L596-V631 PolarHBondContact N-O 3.33Å; V631-T633 HydrophobicContact CG1-CG2 3.84Å; V631-L643 HydrophobicContact CB-CD2 4.44Å; V631-L643 HydrophobicContact CB-CG 4.41Å; V631-L643 HydrophobicContact CG2-CD2 3.45Å; V631-L643 VanDerWaalsContact CG2-CD2 3.45Å; V631-L643 HydrophobicContact CG2-CG 3.8Å |
| 632 | S | 92.8 | Very high | 92.1 | Very high | 17 Ų | 17 | 58 Ų | 58 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.9 | 173 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | L596 P601 | L596-S632 WeakPolarHBondContact O-CA 3.44Å; L596-S632 PolarHBondContact O-OG 2.96Å; P601-S632 WeakPolarHBondContact CA-OG 3.41Å; P601-S632 VanDerWaalsContact CB-OG 3.26Å; P601-S632 WeakPolarHBondContact CB-OG 3.47Å |
| 633 | T | 92.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 168.8 | -178 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | I595 L596 V597 Q598 V631 S635 | I595-T633 VanDerWaalsContact CG2-OG1 3.28Å; I595-T633 WeakPolarHBondContact CG2-OG1 3.46Å; L596-T633 PolarHBondContact O-N 3.1Å; V597-T633 WeakPolarHBondContact CA-O 3.47Å; Q598-T633 PolarHBondContact N-O 3.05Å; V631-T633 HydrophobicContact CG1-CG2 3.84Å; T633-S635 WeakPolarHBondContact CB-O 3.37Å; T633-S635 PolarHBondContact OG1-O 3.24Å |
| 634 | K | 91 | Very high | 92.9 | Very high | 149 Ų | 149 | 46 Ų | 46 | 65% | 0.648 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -79 | -28 | 174.7 | -65.7 | -178.5 | 179.5 | 178.1 | 0 | 113.1 | V597 P601 | V597-K634 WeakPolarHBondContact CG1-O 3.5Å; P601-K634 HydrophobicContact CG-CG 4.26Å |
| 635 | S | 91 | Very high | 93 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -136 | 155.6 | 178.7 | 70 | 0 | 0 | 0 | 0 | 111.1 | T633 D637 D638 G639 | T633-S635 WeakPolarHBondContact CB-O 3.37Å; T633-S635 PolarHBondContact OG1-O 3.24Å; S635-D637 WeakPolarHBondContact CB-OD1 2.93Å; S635-D637 PolarHBondContact OG-OD1 3.36Å; S635-D638 VanDerWaalsContact OG-CB 3.27Å; S635-D638 WeakPolarHBondContact OG-CB 3.11Å; S635-D638 PolarHBondContact OG-N 3.12Å; S635-G639 PolarHBondContact O-N 3.18Å |
| 636 | M | 91.9 | Very high | 93.2 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 30% | 0.296 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.8 | -36.4 | -175.9 | -167.6 | -175.1 | 175.9 | 0 | 0 | 112.2 | I595 V597 G639 A640 I679 | I595-M636 HydrophobicContact CD1-CG 4.25Å; I595-M636 VanDerWaalsContact CD1-O 3.32Å; I595-M636 WeakPolarHBondContact CD1-O 3.49Å; V597-M636 HydrophobicContact CG2-CB 4.21Å; M636-G639 PolarHBondContact O-N 3.06Å; M636-A640 PolarHBondContact O-N 3.01Å; M636-I679 HydrophobicContact CE-CD1 3.93Å; M636-I679 HydrophobicContact CG-CD1 3.84Å; M636-I679 HydrophobicContact SD-CD1 3.97Å |
| 637 | D | 92.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 178.3 | 60.5 | -24.8 | 0 | 0 | 0 | 112.4 | S635 G639 A640 R641 Q675 N678 I679 | S635-D637 WeakPolarHBondContact CB-OD1 2.93Å; S635-D637 PolarHBondContact OG-OD1 3.36Å; D637-G639 VanDerWaalsContact C-N 3.35Å; D637-G639 PolarHBondContact O-N 3.46Å; D637-A640 PolarHBondContact O-N 3.16Å; D637-R641 WeakPolarHBondContact O-CB 3.35Å; D637-R641 PolarHBondContact O-N 2.87Å; D637-Q675 HydrophobicContact CB-CB 4.24Å; D637-Q675 HydrophobicContact CB-CG 4.42Å; D637-N678 HydrophobicContact CB-CB 3.83Å; D637-N678 PolarHBondContact OD2-ND2 3.47Å; D637-N678 VanDerWaalsContact OD2-ND2 3.1Å; D637-I679 HydrophobicContact CB-CG1 4.25Å |
| 638 | D | 93.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.2 | -171.6 | 45.1 | 0 | 0 | 0 | 111.8 | S635 A640 R641 Q642 | S635-D638 VanDerWaalsContact OG-CB 3.27Å; S635-D638 WeakPolarHBondContact OG-CB 3.11Å; S635-D638 PolarHBondContact OG-N 3.12Å; D638-A640 PolarHBondContact O-N 3.34Å; D638-R641 WeakPolarHBondContact O-CB 3.32Å; D638-R641 PolarHBondContact O-N 3.35Å; D638-R641 IonicContact OD1-CZ 2.69Å; D638-R641 IonicContact OD1-NE 3.9Å; D638-R641 PolarHBondContact OD1-NE 2.78Å; D638-R641 IonicContact OD1-NH2 3.36Å; D638-R641 PolarHBondContact OD1-NH2 3.35Å; D638-Q642 WeakPolarHBondContact O-CG 3.12Å; D638-Q642 PolarHBondContact O-N 3.04Å; D638-Q642 PolarHBondContact OD2-NE2 3.49Å |
| 639 | G | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S635 M636 D637 Q642 L643 | S635-G639 PolarHBondContact O-N 3.18Å; M636-G639 PolarHBondContact O-N 3.06Å; D637-G639 VanDerWaalsContact C-N 3.35Å; D637-G639 PolarHBondContact O-N 3.46Å; G639-Q642 PolarHBondContact O-N 2.89Å; G639-L643 WeakPolarHBondContact O-CG 3.5Å; G639-L643 PolarHBondContact O-N 3.41Å |
| 640 | A | 94.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I595 M636 D637 D638 Q642 L643 L644 I679 | I595-A640 HydrophobicContact CD1-CB 3.94Å; I595-A640 VanDerWaalsContact CD1-N 3.27Å; M636-A640 PolarHBondContact O-N 3.01Å; D637-A640 PolarHBondContact O-N 3.16Å; D638-A640 PolarHBondContact O-N 3.34Å; A640-Q642 VanDerWaalsContact C-N 3.32Å; A640-Q642 PolarHBondContact O-N 3.37Å; A640-L643 PolarHBondContact O-N 2.73Å; A640-L644 WeakPolarHBondContact O-CB 3.49Å; A640-L644 VanDerWaalsContact O-CG 3.24Å; A640-L644 WeakPolarHBondContact O-CG 3.44Å; A640-L644 PolarHBondContact O-N 2.97Å; A640-I679 HydrophobicContact CB-CB 4.24Å; A640-I679 HydrophobicContact CB-CD1 4.24Å; A640-I679 HydrophobicContact CB-CG1 3.66Å; A640-I679 HydrophobicContact CB-CG2 3.83Å |
| 641 | R | 94.3 | Very high | 92.4 | Very high | 114 Ų | 114 | 48.2 Ų | 48.2 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 174.2 | -174.6 | 176.7 | 68.3 | 118.3 | -3.4 | 111.4 | D637 D638 Q645 | D637-R641 WeakPolarHBondContact O-CB 3.35Å; D637-R641 PolarHBondContact O-N 2.87Å; D638-R641 WeakPolarHBondContact O-CB 3.32Å; D638-R641 PolarHBondContact O-N 3.35Å; D638-R641 IonicContact OD1-CZ 2.69Å; D638-R641 IonicContact OD1-NE 3.9Å; D638-R641 PolarHBondContact OD1-NE 2.78Å; D638-R641 IonicContact OD1-NH2 3.36Å; D638-R641 PolarHBondContact OD1-NH2 3.35Å; R641-Q645 WeakPolarHBondContact O-CG 3.34Å; R641-Q645 PolarHBondContact O-N 3.03Å |
| 642 | Q | 93.9 | Very high | 92.3 | Very high | 71 Ų | 71 | 50.8 Ų | 50.8 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 175.2 | -68.8 | 178.1 | 32.4 | 0 | 0 | 111.7 | D638 G639 A640 Q645 T646 | D638-Q642 WeakPolarHBondContact O-CG 3.12Å; D638-Q642 PolarHBondContact O-N 3.04Å; D638-Q642 PolarHBondContact OD2-NE2 3.49Å; G639-Q642 PolarHBondContact O-N 2.89Å; A640-Q642 VanDerWaalsContact C-N 3.32Å; A640-Q642 PolarHBondContact O-N 3.37Å; Q642-Q645 PolarHBondContact O-N 3.03Å; Q642-T646 WeakPolarHBondContact O-CB 3.46Å; Q642-T646 WeakPolarHBondContact O-CG2 3.21Å; Q642-T646 PolarHBondContact O-N 2.67Å; Q642-T646 PolarHBondContact O-OG1 3.47Å |
| 643 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 178.5 | -76.9 | 167.5 | 0 | 0 | 0 | 112.4 | L564 M566 A593 I595 H629 V631 G639 A640 Q645 T646 C647 | L564-L643 HydrophobicContact CD2-CB 4.36Å; M566-L643 HydrophobicContact CE-CD1 3.68Å; M566-L643 HydrophobicContact SD-CD1 4.06Å; A593-L643 HydrophobicContact CB-CD1 3.86Å; A593-L643 HydrophobicContact CB-CD2 4.14Å; I595-L643 HydrophobicContact CD1-CD1 4.01Å; I595-L643 HydrophobicContact CG1-CD1 3.63Å; H629-L643 HydrophobicContact CB-CD2 4.32Å; V631-L643 HydrophobicContact CB-CD2 4.44Å; V631-L643 HydrophobicContact CB-CG 4.41Å; V631-L643 HydrophobicContact CG2-CD2 3.45Å; V631-L643 VanDerWaalsContact CG2-CD2 3.45Å; V631-L643 HydrophobicContact CG2-CG 3.8Å; G639-L643 WeakPolarHBondContact O-CG 3.5Å; G639-L643 PolarHBondContact O-N 3.41Å; A640-L643 PolarHBondContact O-N 2.73Å; L643-Q645 PolarHBondContact O-N 2.72Å; L643-T646 PolarHBondContact O-N 3.36Å; L643-C647 WeakPolarHBondContact CD2-SG 3.38Å; L643-C647 WeakPolarHBondContact O-CB 3.31Å; L643-C647 PolarHBondContact O-N 3.1Å; L643-C647 PolarHBondContact O-SG 2.91Å |
| 644 | L | 94.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -32.9 | 179.7 | -73.5 | 165.6 | 0 | 0 | 0 | 112.7 | L564 A640 M657 H682 A683 A686 F688 | L564-L644 HydrophobicContact CD2-CD2 4.23Å; A640-L644 WeakPolarHBondContact O-CB 3.49Å; A640-L644 VanDerWaalsContact O-CG 3.24Å; A640-L644 WeakPolarHBondContact O-CG 3.44Å; A640-L644 PolarHBondContact O-N 2.97Å; L644-M657 HydrophobicContact CD1-SD 4.44Å; L644-M657 HydrophobicContact CD2-CB 4.42Å; L644-M657 HydrophobicContact CD2-SD 3.98Å; L644-M657 HydrophobicContact CG-SD 4.5Å; L644-H682 HydrophobicContact CD1-CB 3.92Å; L644-A683 HydrophobicContact CD1-CB 3.96Å; L644-A683 HydrophobicContact CD2-CB 4.1Å; L644-A686 HydrophobicContact CB-CB 4.41Å; L644-F688 HydrophobicContact CD2-CD1 3.78Å; L644-F688 HydrophobicContact CD2-CD2 4.25Å; L644-F688 HydrophobicContact CD2-CE1 3.82Å; L644-F688 HydrophobicContact CD2-CE2 4.31Å; L644-F688 HydrophobicContact CD2-CG 4.01Å; L644-F688 HydrophobicContact CD2-CZ 4.1Å |
| 645 | Q | 91.8 | Very high | 92.5 | Very high | 139 Ų | 139 | 49.3 Ų | 49.3 | 65% | 0.65 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -86.5 | -32.8 | -179.6 | -67.6 | -179.5 | -10.4 | 0 | 0 | 113.4 | R641 Q642 L643 | R641-Q645 WeakPolarHBondContact O-CG 3.34Å; R641-Q645 PolarHBondContact O-N 3.03Å; Q642-Q645 PolarHBondContact O-N 3.03Å; L643-Q645 PolarHBondContact O-N 2.72Å |
| 646 | T | 93 | Very high | 92.7 | Very high | 85 Ų | 85 | 48.1 Ų | 48.1 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -106.2 | -18.5 | -167.7 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | Q642 L643 G648 | Q642-T646 WeakPolarHBondContact O-CB 3.46Å; Q642-T646 WeakPolarHBondContact O-CG2 3.21Å; Q642-T646 PolarHBondContact O-N 2.67Å; Q642-T646 PolarHBondContact O-OG1 3.47Å; L643-T646 PolarHBondContact O-N 3.36Å; T646-G648 PolarHBondContact O-N 3.15Å |
| 647 | C | 93.3 | Very high | 93 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -66.9 | 134 | -177.5 | -77.4 | 0 | 0 | 0 | 0 | 112.9 | I591 L643 P654 | I591-C647 HydrophobicContact CD1-CB 4.34Å; L643-C647 WeakPolarHBondContact CD2-SG 3.38Å; L643-C647 WeakPolarHBondContact O-CB 3.31Å; L643-C647 PolarHBondContact O-N 3.1Å; L643-C647 PolarHBondContact O-SG 2.91Å; C647-P654 HydrophobicContact CB-CG 3.93Å; C647-P654 WeakPolarHBondContact O-CD 3.35Å |
| 648 | G | 91.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 44 Ų | 44 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 88.8 | 179.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T646 L652 | T646-G648 PolarHBondContact O-N 3.15Å; G648-L652 CarbonylContact C-O 3.57Å; G648-L652 WeakPolarHBondContact CA-O 3.47Å |
| 649 | L | 90.7 | Very high | 93.3 | Very high | 118 Ų | 118 | 42.4 Ų | 42.4 | 62% | 0.618 | 23% | 0.226 | S | C | * | . | B | Isolated β-bridge | trans | -138.6 | 131.7 | -176.9 | -176.3 | 70.2 | 0 | 0 | 0 | 110.7 | M546 K651 L652 | M546-L649 HydrophobicContact CE-CB 4.23Å; M546-L649 HydrophobicContact CE-CD2 4.41Å; M546-L649 HydrophobicContact CE-CG 4.29Å; M546-L649 WeakPolarHBondContact CE-O 3.36Å; L649-K651 PolarHBondContact O-N 3.49Å; L649-L652 PolarHBondContact N-O 3.02Å; L649-L652 PolarHBondContact O-N 3.32Å |
| 650 | G | 88.4 | Confident | 93.3 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 45% | 0.454 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -122.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | K653 | G650-K653 WeakPolarHBondContact O-CD 3.43Å; G650-K653 WeakPolarHBondContact O-CE 3.34Å; G650-K653 WeakPolarHBondContact O-CG 3.46Å |
| 651 | K | 88.2 | Confident | 93.2 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8 | 174.4 | -61.3 | -162.2 | -175.5 | -143.3 | 0 | 114.8 | L549 S550 T552 E554 L649 K653 | L549-K651 HydrophobicContact CD2-CB 4.2Å; L549-K651 HydrophobicContact CG-CB 4.12Å; L549-K651 VanDerWaalsContact O-CD 3.28Å; L549-K651 WeakPolarHBondContact O-CD 3.47Å; L549-K651 WeakPolarHBondContact O-CE 3.49Å; S550-K651 WeakPolarHBondContact O-CE 3.33Å; T552-K651 WeakPolarHBondContact O-CE 3.34Å; T552-K651 PolarHBondContact O-NZ 2.96Å; E554-K651 HydrophobicContact CG-CD 4.39Å; E554-K651 IonicContact OE1-NZ 3.43Å; E554-K651 PolarHBondContact OE1-NZ 3.44Å; L649-K651 PolarHBondContact O-N 3.49Å; K651-K653 PolarHBondContact O-N 3.46Å; K651-K653 VanDerWaalsContact O-N 3.11Å |
| 652 | L | 90.8 | Very high | 93 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -84.7 | 72.5 | 169.3 | -68.5 | -173.1 | 0 | 0 | 0 | 108.5 | M546 L549 L589 G648 L649 | M546-L652 HydrophobicContact CE-CB 3.8Å; M546-L652 HydrophobicContact CE-CD1 3.82Å; M546-L652 HydrophobicContact CE-CG 3.69Å; M546-L652 HydrophobicContact SD-CB 4.32Å; M546-L652 HydrophobicContact SD-CD1 3.22Å; M546-L652 WeakPolarHBondContact SD-CD1 3.39Å; M546-L652 HydrophobicContact SD-CG 3.6Å; M546-L652 VanDerWaalsContact SD-CG 3.6Å; L549-L652 HydrophobicContact CD2-CD2 3.96Å; L549-L652 HydrophobicContact CD2-CG 4Å; L589-L652 HydrophobicContact CD2-CB 4.31Å; G648-L652 CarbonylContact C-O 3.57Å; G648-L652 WeakPolarHBondContact CA-O 3.47Å; L649-L652 PolarHBondContact N-O 3.02Å; L649-L652 PolarHBondContact O-N 3.32Å |
| 653 | K | 92.7 | Very high | 92.7 | Very high | 101 Ų | 101 | 40.4 Ų | 40.4 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | trans | -126.8 | 140.2 | 178 | -71.8 | -174.4 | 177.4 | -167.8 | 0 | 109.6 | Q562 G650 K651 N655 | Q562-K653 VanDerWaalsContact CD-O 3.3Å; Q562-K653 VanDerWaalsContact OE1-N 3.16Å; Q562-K653 PolarHBondContact OE1-O 3.27Å; G650-K653 WeakPolarHBondContact O-CD 3.43Å; G650-K653 WeakPolarHBondContact O-CE 3.34Å; G650-K653 WeakPolarHBondContact O-CG 3.46Å; K651-K653 PolarHBondContact O-N 3.46Å; K651-K653 VanDerWaalsContact O-N 3.11Å; K653-N655 PolarHBondContact O-N 2.86Å | ||
| 654 | P | 95 | Very high | 92.2 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | trans | -58.3 | 140.5 | 176.4 | 27 | -32.7 | 0 | 0 | 0 | 110 | Q562 L564 I591 C647 F688 | Q562-P654 CarbonylContact O-C 3.56Å; Q562-P654 WeakPolarHBondContact O-CA 3.34Å; L564-P654 HydrophobicContact CB-CB 3.63Å; L564-P654 HydrophobicContact CB-CG 3.94Å; I591-P654 HydrophobicContact CD1-CG 4.38Å; C647-P654 HydrophobicContact CB-CG 3.93Å; C647-P654 WeakPolarHBondContact O-CD 3.35Å; P654-F688 HydrophobicContact CB-CE1 3.92Å; P654-F688 HydrophobicContact CG-CE1 3.85Å; P654-F688 HydrophobicContact CG-CZ 4.17Å; P654-F688 WeakPolarHBondContact O-CE1 3.27Å; P654-F688 WeakPolarHBondContact O-CZ 3.43Å | ||
| 655 | N | 94 | Very high | 92 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.171 | 25% | 0.249 | C | C | . | . | trans | -118.1 | -8.7 | 175.5 | 62 | 4.3 | 0 | 0 | 0 | 112.1 | Y559 R560 Q562 K653 G689 | Y559-N655 WeakPolarHBondContact CE2-ND2 3.38Å; Y559-N655 PolarHBondContact OH-ND2 3.14Å; R560-N655 PolarHBondContact O-ND2 2.88Å; Q562-N655 WeakPolarHBondContact CA-OD1 3.45Å; Q562-N655 PolarHBondContact N-OD1 3.27Å; Q562-N655 PolarHBondContact O-N 2.88Å; Q562-N655 PolarHBondContact O-OD1 3.44Å; K653-N655 PolarHBondContact O-N 2.86Å; N655-G689 PolarHBondContact O-N 3.49Å | ||
| 656 | I | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.4 | 176 | -60.6 | 162.9 | 0 | 0 | 0 | 108.6 | P561 Q562 M563 L564 G689 C691 L789 L793 | P561-I656 HydrophobicContact CB-CD1 3.59Å; Q562-I656 PolarHBondContact O-N 2.81Å; M563-I656 CarbonylContact C-O 3.55Å; M563-I656 WeakPolarHBondContact CA-O 3.2Å; M563-I656 HydrophobicContact CE-CG2 4.3Å; M563-I656 HydrophobicContact CG-CB 4.38Å; L564-I656 PolarHBondContact N-O 3Å; I656-G689 CarbonylContact C-O 3.53Å; I656-G689 VanDerWaalsContact CA-O 3.24Å; I656-G689 WeakPolarHBondContact CA-O 3.24Å; I656-C691 HydrophobicContact CG2-CB 4.42Å; I656-L789 HydrophobicContact CD1-CD1 3.69Å; I656-L789 HydrophobicContact CD1-CD2 4.32Å; I656-L789 HydrophobicContact CG1-CD1 4.36Å; I656-L789 HydrophobicContact CG1-CD2 4.16Å; I656-L793 HydrophobicContact CD1-CD2 4.32Å |
| 657 | M | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.8 | 168.6 | -174.2 | -177.5 | 69.9 | 0 | 0 | 109.5 | L564 M566 L644 I659 I679 A683 F688 G689 V690 C691 | L564-M657 CarbonylContact O-C 3.59Å; L564-M657 WeakPolarHBondContact O-CA 3.21Å; M566-M657 HydrophobicContact CG-CG 4.35Å; M566-M657 HydrophobicContact CG-SD 4.49Å; L644-M657 HydrophobicContact CD1-SD 4.44Å; L644-M657 HydrophobicContact CD2-CB 4.42Å; L644-M657 HydrophobicContact CD2-SD 3.98Å; L644-M657 HydrophobicContact CG-SD 4.5Å; M657-I659 HydrophobicContact CE-CD1 4.46Å; M657-I659 HydrophobicContact CE-CG2 3.92Å; M657-I659 HydrophobicContact CG-CG2 3.97Å; M657-I659 HydrophobicContact SD-CG2 4.08Å; M657-I679 HydrophobicContact CE-CG2 3.77Å; M657-I679 HydrophobicContact SD-CG2 3.89Å; M657-A683 HydrophobicContact CB-CB 4.42Å; M657-A683 HydrophobicContact CE-CB 3.29Å; M657-A683 HydrophobicContact SD-CB 3.82Å; M657-F688 HydrophobicContact CB-CD1 4.35Å; M657-G689 PolarHBondContact N-O 3.31Å; M657-V690 HydrophobicContact CE-CG1 4.13Å; M657-V690 HydrophobicContact CE-CG2 4.45Å; M657-C691 PolarHBondContact O-N 2.97Å |
| 658 | L | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.9 | 173.4 | 178.5 | 68.8 | 0 | 0 | 0 | 109.9 | M563 L564 V565 M566 F579 A580 C691 L693 L935 | M563-L658 HydrophobicContact CE-CB 3.72Å; M563-L658 HydrophobicContact CE-CD2 3.77Å; M563-L658 HydrophobicContact CE-CG 4.2Å; L564-L658 PolarHBondContact O-N 3.44Å; V565-L658 WeakPolarHBondContact CA-O 3.46Å; V565-L658 HydrophobicContact CG1-CB 4.44Å; V565-L658 HydrophobicContact CG1-CD2 4.06Å; V565-L658 HydrophobicContact CG1-CG 4.38Å; V565-L658 HydrophobicContact CG2-CB 4.3Å; V565-L658 HydrophobicContact CG2-CD2 4.2Å; M566-L658 PolarHBondContact N-O 2.88Å; F579-L658 HydrophobicContact CD1-CD2 4.15Å; A580-L658 HydrophobicContact CB-CD2 3.91Å; L658-C691 WeakPolarHBondContact CA-O 3.48Å; L658-C691 HydrophobicContact CB-CB 4.43Å; L658-C691 HydrophobicContact CD1-CB 3.53Å; L658-L693 HydrophobicContact CD1-CB 4.22Å; L658-L935 HydrophobicContact CD1-CD1 4.1Å |
| 659 | I | 95.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.5 | 175.4 | 67.8 | 179.9 | 0 | 0 | 0 | 110.3 | M566 M657 Y676 I680 C691 V692 L693 | M566-I659 HydrophobicContact CB-CB 4.5Å; M566-I659 HydrophobicContact CB-CG2 3.81Å; M566-I659 HydrophobicContact CG-CG2 3.57Å; M657-I659 HydrophobicContact CE-CD1 4.46Å; M657-I659 HydrophobicContact CE-CG2 3.92Å; M657-I659 HydrophobicContact CG-CG2 3.97Å; M657-I659 HydrophobicContact SD-CG2 4.08Å; I659-Y676 HydrophobicContact CD1-CE2 3.77Å; I659-Y676 HydrophobicContact CG1-CE2 4.43Å; I659-I680 HydrophobicContact CD1-CD1 4.06Å; I659-I680 HydrophobicContact CD1-CG1 3.69Å; I659-C691 PolarHBondContact N-O 3.49Å; I659-V692 HydrophobicContact CD1-CG2 3.98Å; I659-V692 HydrophobicContact CG1-CB 4.33Å; I659-V692 HydrophobicContact CG1-CG1 4.3Å; I659-V692 HydrophobicContact CG1-CG2 3.79Å; I659-V692 WeakPolarHBondContact O-CA 3.45Å; I659-L693 PolarHBondContact O-N 2.97Å |
| 660 | G | 93.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 48 Ų | 48 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 143.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y676 | G660-Y676 PolarHBondContact O-OH 3.48Å |
| 661 | F | 93.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | trans | -62.8 | 136.3 | 175.3 | -171.6 | -89.8 | 0 | 0 | 0 | 111.1 | H663 V692 L693 R694 M921 L924 D925 | F661-H663 PolarHBondContact O-CD2 3.1Å; F661-H663 PolarHBondContact O-N 2.68Å; F661-V692 HydrophobicContact CB-CG1 4Å; F661-V692 HydrophobicContact CD2-CG1 3.98Å; F661-V692 HydrophobicContact CG-CG1 4.49Å; F661-L693 PolarHBondContact N-O 3.39Å; F661-R694 HydrophobicContact CB-CB 3.63Å; F661-R694 HydrophobicContact CB-CG 3.93Å; F661-R694 HydrophobicContact CD1-CG 4.06Å; F661-R694 HydrophobicContact CD2-CB 4.47Å; F661-R694 HydrophobicContact CG-CB 4Å; F661-R694 HydrophobicContact CG-CG 3.99Å; F661-M921 HydrophobicContact CE1-CE 3.95Å; F661-M921 HydrophobicContact CE2-CE 3.82Å; F661-M921 HydrophobicContact CZ-CE 3.41Å; F661-M921 VanDerWaalsContact CZ-CE 3.41Å; F661-L924 HydrophobicContact CE2-CB 4.09Å; F661-D925 HydrophobicContact CZ-CB 4.04Å | ||
| 662 | K | 90.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 13% | 0.13 | 28% | 0.276 | C | S | . | . | trans | -77.1 | 95.8 | 179.9 | -166.9 | 162.9 | -176.9 | 146 | 0 | 110.5 | K668 E672 Y676 | K662-K668 HydrophobicContact CD-CD 4.28Å; K662-K668 HydrophobicContact CG-CD 4.26Å; K662-E672 VanDerWaalsContact CE-OE2 3.3Å; K662-E672 WeakPolarHBondContact CE-OE2 3.3Å; K662-E672 PolarHBondContact NZ-O 3.48Å; K662-E672 IonicContact NZ-OE2 3.23Å; K662-E672 PolarHBondContact NZ-OE2 3.38Å; K662-Y676 HydrophobicContact CB-CD1 4.33Å; K662-Y676 HydrophobicContact CB-CD2 4.24Å; K662-Y676 HydrophobicContact CB-CE1 4.31Å; K662-Y676 HydrophobicContact CB-CE2 4.18Å; K662-Y676 HydrophobicContact CB-CG 4.32Å; K662-Y676 HydrophobicContact CD-CD2 4.28Å; K662-Y676 HydrophobicContact CD-CG 4.1Å | ||
| 663 | H | 86.4 | Confident | 90.4 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 149.4 | 174 | -65 | -82.8 | 0 | 0 | 0 | 111.5 | F661 W665 T695 | F661-H663 PolarHBondContact O-CD2 3.1Å; F661-H663 PolarHBondContact O-N 2.68Å; H663-W665 PolarHBondContact O-N 3.38Å; H663-W665 VanDerWaalsContact O-N 3.17Å; H663-T695 PolarHBondContact CE1-O 2.88Å |
| 664 | S | 86 | Confident | 90.2 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29.5 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 114.3 | Q666 F667 | S664-Q666 PolarHBondContact O-N 3.49Å; S664-Q666 VanDerWaalsContact O-N 3.1Å; S664-F667 PolarHBondContact O-N 3.29Å; S664-F667 VanDerWaalsContact O-N 3.09Å |
| 665 | W | 88.3 | Confident | 90 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -55.9 | -28.9 | -179.5 | 68.9 | -90.2 | 0 | 0 | 0 | 113 | H663 F667 K668 I673 F862 F866 L870 M921 V922 D925 | H663-W665 PolarHBondContact O-N 3.38Å; H663-W665 VanDerWaalsContact O-N 3.17Å; W665-F667 PolarHBondContact O-N 2.96Å; W665-K668 PolarHBondContact O-N 3.46Å; W665-K668 VanDerWaalsContact O-N 3.12Å; W665-I673 HydrophobicContact CE3-CD1 3.92Å; W665-I673 WeakPolarHBondContact O-CD1 3.32Å; W665-F862 HydrophobicContact CZ2-CE1 4.37Å; W665-F862 HydrophobicContact CZ2-CZ 4.01Å; W665-F866 HydrophobicContact CH2-CD1 4.3Å; W665-F866 HydrophobicContact CH2-CD2 4.03Å; W665-F866 HydrophobicContact CH2-CE1 4.12Å; W665-F866 AromaticContact CH2-CE2 3.85Å; W665-F866 HydrophobicContact CH2-CE2 3.85Å; W665-F866 HydrophobicContact CH2-CG 4.28Å; W665-F866 AromaticContact CH2-CZ 3.92Å; W665-F866 HydrophobicContact CH2-CZ 3.92Å; W665-F866 HydrophobicContact CZ2-CE2 4.35Å; W665-F866 HydrophobicContact CZ2-CZ 4.42Å; W665-F866 HydrophobicContact CZ3-CD1 4.2Å; W665-F866 HydrophobicContact CZ3-CE1 4.09Å; W665-F866 HydrophobicContact CZ3-CZ 4.32Å; W665-L870 HydrophobicContact CZ3-CD1 4.32Å; W665-M921 HydrophobicContact CB-CE 3.91Å; W665-M921 VanDerWaalsContact CD1-CE 3.47Å; W665-M921 HydrophobicContact CD2-CE 4.14Å; W665-M921 HydrophobicContact CD2-CG 3.8Å; W665-M921 HydrophobicContact CE3-CG 3.92Å; W665-M921 HydrophobicContact CG-CE 3.57Å; W665-M921 HydrophobicContact CG-CG 4.18Å; W665-M921 HydrophobicContact CZ2-CG 4.49Å; W665-M921 HydrophobicContact CZ3-CG 4.33Å; W665-V922 HydrophobicContact CH2-CG2 3.73Å; W665-V922 HydrophobicContact CZ2-CG2 4.24Å; W665-D925 HydrophobicContact CZ2-CB 4.35Å; W665-D925 PolarHBondContact NE1-OD2 2.94Å |
| 666 | Q | 84.9 | Confident | 89.9 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -61.1 | -27.2 | 179.1 | -53.9 | 173.6 | 6 | 0 | 0 | 113.6 | S664 F862 F866 | S664-Q666 PolarHBondContact O-N 3.49Å; S664-Q666 VanDerWaalsContact O-N 3.1Å; Q666-F862 VanDerWaalsContact NE2-CE2 3.32Å; Q666-F866 HydrophobicContact CB-CE1 4.06Å; Q666-F866 HydrophobicContact CB-CZ 3.92Å; Q666-F866 HydrophobicContact CG-CE1 4.16Å; Q666-F866 HydrophobicContact CG-CZ 3.6Å |
| 667 | F | 86.1 | Confident | 89.7 | Confident | 175 Ų | 175 | 52.4 Ų | 52.4 | 77% | 0.768 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -100.3 | 1.5 | 180 | -56.1 | -71.5 | 0 | 0 | 0 | 113 | S664 W665 | S664-F667 PolarHBondContact O-N 3.29Å; S664-F667 VanDerWaalsContact O-N 3.09Å; W665-F667 PolarHBondContact O-N 2.96Å |
| 668 | K | 85.1 | Confident | 89.5 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -95.6 | 153.8 | -175.8 | -70.8 | -170.7 | 165.4 | -128.2 | 0 | 111.4 | K662 W665 E672 | K662-K668 HydrophobicContact CD-CD 4.28Å; K662-K668 HydrophobicContact CG-CD 4.26Å; W665-K668 PolarHBondContact O-N 3.46Å; W665-K668 VanDerWaalsContact O-N 3.12Å; K668-E672 IonicContact NZ-OE2 2.66Å; K668-E672 PolarHBondContact NZ-OE2 3.47Å; K668-E672 VanDerWaalsContact NZ-OE2 3.17Å |
| 669 | P | 87.6 | Confident | 89.3 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | trans | -55.6 | 143.5 | 174.9 | -23.7 | 33.2 | 0 | 0 | 0 | 111.9 | E671 E672 I673 | P669-E671 PolarHBondContact O-N 3.45Å; P669-E672 WeakPolarHBondContact O-CB 3.45Å; P669-E672 PolarHBondContact O-N 2.98Å; P669-I673 PolarHBondContact O-N 3.43Å | ||
| 670 | A | 85.3 | Confident | 89.3 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.2 | -34 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E672 I673 R674 L870 | A670-E672 PolarHBondContact O-N 2.63Å; A670-I673 PolarHBondContact O-N 3.24Å; A670-R674 WeakPolarHBondContact O-CB 3.24Å; A670-R674 PolarHBondContact O-N 3.33Å; A670-L870 HydrophobicContact CB-CD2 3.9Å |
| 671 | E | 87.4 | Confident | 89.1 | Confident | 137 Ų | 137 | 54.3 Ų | 54.3 | 64% | 0.64 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 176.3 | -170.6 | 177.6 | 179.1 | 0 | 0 | 112.5 | P669 I673 R674 Q675 | P669-E671 PolarHBondContact O-N 3.45Å; E671-I673 VanDerWaalsContact C-N 3.28Å; E671-I673 PolarHBondContact O-N 2.89Å; E671-R674 PolarHBondContact O-N 3.45Å; E671-Q675 WeakPolarHBondContact O-CG 3.41Å; E671-Q675 PolarHBondContact O-N 3.35Å |
| 672 | E | 88.3 | Confident | 89.1 | Confident | 71 Ų | 71 | 56.1 Ų | 56.1 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -28.7 | 177.9 | -97.9 | -160.7 | -126.1 | 0 | 0 | 113.1 | K662 K668 P669 A670 Y676 | K662-E672 VanDerWaalsContact CE-OE2 3.3Å; K662-E672 WeakPolarHBondContact CE-OE2 3.3Å; K662-E672 PolarHBondContact NZ-O 3.48Å; K662-E672 IonicContact NZ-OE2 3.23Å; K662-E672 PolarHBondContact NZ-OE2 3.38Å; K668-E672 IonicContact NZ-OE2 2.66Å; K668-E672 PolarHBondContact NZ-OE2 3.47Å; K668-E672 VanDerWaalsContact NZ-OE2 3.17Å; P669-E672 WeakPolarHBondContact O-CB 3.45Å; P669-E672 PolarHBondContact O-N 2.98Å; A670-E672 PolarHBondContact O-N 2.63Å; E672-Y676 PolarHBondContact O-N 2.85Å |
| 673 | I | 89.6 | Confident | 89.2 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.3 | -46 | 175.2 | -59.7 | 164.9 | 0 | 0 | 0 | 108.9 | W665 P669 A670 E671 Q675 Y676 I677 L870 M921 | W665-I673 HydrophobicContact CE3-CD1 3.92Å; W665-I673 WeakPolarHBondContact O-CD1 3.32Å; P669-I673 PolarHBondContact O-N 3.43Å; A670-I673 PolarHBondContact O-N 3.24Å; E671-I673 VanDerWaalsContact C-N 3.28Å; E671-I673 PolarHBondContact O-N 2.89Å; I673-Q675 VanDerWaalsContact C-N 3.35Å; I673-Q675 PolarHBondContact O-N 3.49Å; I673-Y676 WeakPolarHBondContact O-CB 2.96Å; I673-Y676 PolarHBondContact O-N 3.03Å; I673-Y676 VanDerWaalsContact O-N 3.11Å; I673-I677 PolarHBondContact O-N 3.1Å; I673-L870 HydrophobicContact CD1-CD1 3.9Å; I673-L870 HydrophobicContact CD1-CD2 4.18Å; I673-M921 HydrophobicContact CG2-CB 4.25Å; I673-M921 HydrophobicContact CG2-CG 4.18Å |
| 674 | R | 89.1 | Confident | 89.4 | Confident | 137 Ų | 137 | 50.4 Ų | 50.4 | 52% | 0.517 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 176 | -175.1 | 176.7 | -176.7 | 178.8 | 1.6 | 111.7 | A670 E671 Y676 I677 N678 Y917 | A670-R674 WeakPolarHBondContact O-CB 3.24Å; A670-R674 PolarHBondContact O-N 3.33Å; E671-R674 PolarHBondContact O-N 3.45Å; R674-Y676 VanDerWaalsContact C-N 3.33Å; R674-Y676 PolarHBondContact O-N 2.97Å; R674-I677 PolarHBondContact O-N 3.38Å; R674-N678 WeakPolarHBondContact O-CB 3.41Å; R674-N678 VanDerWaalsContact O-CG 3.24Å; R674-N678 PolarHBondContact O-N 3.3Å; R674-Y917 HydrophobicContact CG-CD2 3.81Å; R674-Y917 HydrophobicContact CG-CE2 3.88Å; R674-Y917 HydrophobicContact CG-CG 4.13Å |
| 675 | Q | 91 | Very high | 89.6 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 175.7 | -71.3 | -179.7 | 16.3 | 0 | 0 | 111.8 | D637 E671 I673 I677 N678 I679 | D637-Q675 HydrophobicContact CB-CB 4.24Å; D637-Q675 HydrophobicContact CB-CG 4.42Å; E671-Q675 WeakPolarHBondContact O-CG 3.41Å; E671-Q675 PolarHBondContact O-N 3.35Å; I673-Q675 VanDerWaalsContact C-N 3.35Å; I673-Q675 PolarHBondContact O-N 3.49Å; Q675-I677 PolarHBondContact O-N 2.94Å; Q675-N678 WeakPolarHBondContact O-CB 3.29Å; Q675-N678 PolarHBondContact O-N 2.98Å; Q675-I679 VanDerWaalsContact O-CG1 3.28Å; Q675-I679 WeakPolarHBondContact O-CG1 3.44Å; Q675-I679 PolarHBondContact O-N 2.93Å |
| 676 | Y | 92.5 | Very high | 89.7 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 178.5 | -179.5 | -101 | 0 | 0 | 0 | 112.7 | I659 G660 K662 E672 I673 R674 I679 I680 V692 M921 | I659-Y676 HydrophobicContact CD1-CE2 3.77Å; I659-Y676 HydrophobicContact CG1-CE2 4.43Å; G660-Y676 PolarHBondContact O-OH 3.48Å; K662-Y676 HydrophobicContact CB-CD1 4.33Å; K662-Y676 HydrophobicContact CB-CD2 4.24Å; K662-Y676 HydrophobicContact CB-CE1 4.31Å; K662-Y676 HydrophobicContact CB-CE2 4.18Å; K662-Y676 HydrophobicContact CB-CG 4.32Å; K662-Y676 HydrophobicContact CD-CD2 4.28Å; K662-Y676 HydrophobicContact CD-CG 4.1Å; E672-Y676 PolarHBondContact O-N 2.85Å; I673-Y676 WeakPolarHBondContact O-CB 2.96Å; I673-Y676 PolarHBondContact O-N 3.03Å; I673-Y676 VanDerWaalsContact O-N 3.11Å; R674-Y676 VanDerWaalsContact C-N 3.33Å; R674-Y676 PolarHBondContact O-N 2.97Å; Y676-I679 PolarHBondContact O-N 3.03Å; Y676-I680 HydrophobicContact CE1-CD1 4.14Å; Y676-V692 VanDerWaalsContact OH-CG1 3.28Å; Y676-V692 WeakPolarHBondContact OH-CG1 3.4Å; Y676-M921 HydrophobicContact CD1-SD 4.19Å; Y676-M921 HydrophobicContact CE1-SD 4.16Å |
| 677 | I | 91.6 | Very high | 90 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.8 | -36.5 | 175.7 | -57.4 | -49.5 | 0 | 0 | 0 | 111.7 | I673 R674 Q675 I679 I680 D681 Y917 Y920 M921 L924 | I673-I677 PolarHBondContact O-N 3.1Å; R674-I677 PolarHBondContact O-N 3.38Å; Q675-I677 PolarHBondContact O-N 2.94Å; I677-I679 PolarHBondContact O-N 3.28Å; I677-I680 HydrophobicContact CD1-CD1 4.3Å; I677-I680 WeakPolarHBondContact O-CB 3.3Å; I677-I680 PolarHBondContact O-N 2.82Å; I677-I680 VanDerWaalsContact O-N 3.08Å; I677-D681 PolarHBondContact O-N 3.02Å; I677-Y917 HydrophobicContact CB-CD1 3.92Å; I677-Y917 HydrophobicContact CG2-CD1 3.68Å; I677-Y920 HydrophobicContact CD1-CD1 3.83Å; I677-Y920 HydrophobicContact CD1-CE1 4.29Å; I677-Y920 HydrophobicContact CG1-CD1 4.41Å; I677-Y920 HydrophobicContact CG2-CD1 3.73Å; I677-Y920 HydrophobicContact CG2-CE1 4.3Å; I677-M921 HydrophobicContact CD1-CB 4.25Å; I677-M921 HydrophobicContact CD1-SD 4.01Å; I677-L924 HydrophobicContact CD1-CD1 4.42Å |
| 678 | N | 91.3 | Very high | 90.3 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -38.4 | 173 | -76.7 | -10.9 | 0 | 0 | 0 | 111.8 | D637 R674 Q675 I680 D681 H682 Y917 | D637-N678 HydrophobicContact CB-CB 3.83Å; D637-N678 PolarHBondContact OD2-ND2 3.47Å; D637-N678 VanDerWaalsContact OD2-ND2 3.1Å; R674-N678 WeakPolarHBondContact O-CB 3.41Å; R674-N678 VanDerWaalsContact O-CG 3.24Å; R674-N678 PolarHBondContact O-N 3.3Å; Q675-N678 WeakPolarHBondContact O-CB 3.29Å; Q675-N678 PolarHBondContact O-N 2.98Å; N678-I680 VanDerWaalsContact C-N 3.32Å; N678-I680 PolarHBondContact O-N 3.38Å; N678-D681 PolarHBondContact O-N 3.02Å; N678-H682 WeakPolarHBondContact O-CB 3.43Å; N678-H682 PolarHBondContact O-CD2 3.49Å; N678-H682 PolarHBondContact O-N 3.09Å; N678-Y917 WeakPolarHBondContact OD1-CE1 3.32Å; N678-Y917 PolarHBondContact OD1-OH 3.23Å |
| 679 | I | 93.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.5 | -66.4 | 167 | 0 | 0 | 0 | 111.1 | M636 D637 A640 M657 Q675 Y676 I677 H682 A683 | M636-I679 HydrophobicContact CE-CD1 3.93Å; M636-I679 HydrophobicContact CG-CD1 3.84Å; M636-I679 HydrophobicContact SD-CD1 3.97Å; D637-I679 HydrophobicContact CB-CG1 4.25Å; A640-I679 HydrophobicContact CB-CB 4.24Å; A640-I679 HydrophobicContact CB-CD1 4.24Å; A640-I679 HydrophobicContact CB-CG1 3.66Å; A640-I679 HydrophobicContact CB-CG2 3.83Å; M657-I679 HydrophobicContact CE-CG2 3.77Å; M657-I679 HydrophobicContact SD-CG2 3.89Å; Q675-I679 VanDerWaalsContact O-CG1 3.28Å; Q675-I679 WeakPolarHBondContact O-CG1 3.44Å; Q675-I679 PolarHBondContact O-N 2.93Å; Y676-I679 PolarHBondContact O-N 3.03Å; I677-I679 PolarHBondContact O-N 3.28Å; I679-H682 PolarHBondContact O-N 3.44Å; I679-A683 PolarHBondContact O-N 3.45Å |
| 680 | I | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.9 | -64.3 | 172.8 | 0 | 0 | 0 | 110.3 | I659 Y676 I677 N678 A683 F684 V690 V692 M907 Y920 L924 | I659-I680 HydrophobicContact CD1-CD1 4.06Å; I659-I680 HydrophobicContact CD1-CG1 3.69Å; Y676-I680 HydrophobicContact CE1-CD1 4.14Å; I677-I680 HydrophobicContact CD1-CD1 4.3Å; I677-I680 WeakPolarHBondContact O-CB 3.3Å; I677-I680 PolarHBondContact O-N 2.82Å; I677-I680 VanDerWaalsContact O-N 3.08Å; N678-I680 VanDerWaalsContact C-N 3.32Å; N678-I680 PolarHBondContact O-N 3.38Å; I680-A683 PolarHBondContact O-N 3.2Å; I680-F684 HydrophobicContact CG2-CD2 3.81Å; I680-F684 HydrophobicContact CG2-CE2 3.5Å; I680-F684 VanDerWaalsContact CG2-CE2 3.5Å; I680-F684 HydrophobicContact CG2-CZ 4.39Å; I680-F684 WeakPolarHBondContact O-CD2 3.49Å; I680-F684 PolarHBondContact O-N 3.39Å; I680-V690 HydrophobicContact CG2-CG1 4.31Å; I680-V692 HydrophobicContact CD1-CG2 4.26Å; I680-M907 HydrophobicContact CG2-CE 4.02Å; I680-Y920 HydrophobicContact CD1-CE1 4.34Å; I680-Y920 HydrophobicContact CG2-CE1 4.32Å; I680-L924 HydrophobicContact CD1-CD1 3.98Å |
| 681 | D | 90.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 23% | 0.225 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 179 | -170.7 | 59.8 | 0 | 0 | 0 | 112.7 | R33 I677 N678 A683 F684 A685 | R33-D681 IonicContact CZ-OD1 3.06Å; R33-D681 IonicContact NE-OD1 2.89Å; R33-D681 PolarHBondContact NE-OD1 3.13Å; R33-D681 IonicContact NH2-OD1 3.73Å; R33-D681 PolarHBondContact NH2-OD1 3.29Å; R33-D681 IonicContact NH2-OD2 3.76Å; R33-D681 PolarHBondContact NH2-OD2 2.87Å; R33-D681 VanDerWaalsContact NH2-OD2 3.11Å; I677-D681 PolarHBondContact O-N 3.02Å; N678-D681 PolarHBondContact O-N 3.02Å; D681-A683 PolarHBondContact O-N 2.96Å; D681-F684 PolarHBondContact O-N 2.97Å; D681-A685 WeakPolarHBondContact O-CB 3.35Å; D681-A685 PolarHBondContact O-N 3.41Å |
| 682 | H | 92 | Very high | 92.1 | Very high | 46 Ų | 46 | 26.7 Ų | 26.7 | 21% | 0.213 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 173.9 | -68.2 | -28.7 | 0 | 0 | 0 | 112 | L644 N678 I679 A685 A686 | L644-H682 HydrophobicContact CD1-CB 3.92Å; N678-H682 WeakPolarHBondContact O-CB 3.43Å; N678-H682 PolarHBondContact O-CD2 3.49Å; N678-H682 PolarHBondContact O-N 3.09Å; I679-H682 PolarHBondContact O-N 3.44Å; H682-A685 PolarHBondContact O-N 3.46Å; H682-A686 WeakPolarHBondContact O-CB 3.33Å; H682-A686 PolarHBondContact O-N 3.17Å |
| 683 | A | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L644 M657 I679 I680 D681 A686 N687 F688 V690 | L644-A683 HydrophobicContact CD1-CB 3.96Å; L644-A683 HydrophobicContact CD2-CB 4.1Å; M657-A683 HydrophobicContact CB-CB 4.42Å; M657-A683 HydrophobicContact CE-CB 3.29Å; M657-A683 HydrophobicContact SD-CB 3.82Å; I679-A683 PolarHBondContact O-N 3.45Å; I680-A683 PolarHBondContact O-N 3.2Å; D681-A683 PolarHBondContact O-N 2.96Å; A683-A686 PolarHBondContact O-N 2.9Å; A683-N687 PolarHBondContact O-N 3.36Å; A683-F688 HydrophobicContact CB-CB 4.36Å; A683-F688 WeakPolarHBondContact O-CB 3.02Å; A683-F688 PolarHBondContact O-N 3.25Å; A683-V690 HydrophobicContact CB-CG2 3.66Å |
| 684 | F | 91.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 172.4 | -73.6 | -45.6 | 0 | 0 | 0 | 112.3 | L29 I680 D681 A686 N687 V690 M907 P910 R938 | L29-F684 HydrophobicContact CD1-CD1 3.97Å; L29-F684 HydrophobicContact CD1-CE1 4.33Å; L29-F684 HydrophobicContact CD2-CB 3.99Å; L29-F684 HydrophobicContact CD2-CD1 3.77Å; L29-F684 HydrophobicContact CD2-CG 4.31Å; L29-F684 VanDerWaalsContact CD2-O 3.22Å; L29-F684 WeakPolarHBondContact CD2-O 3.18Å; L29-F684 HydrophobicContact CG-CD1 4.42Å; I680-F684 HydrophobicContact CG2-CD2 3.81Å; I680-F684 HydrophobicContact CG2-CE2 3.5Å; I680-F684 VanDerWaalsContact CG2-CE2 3.5Å; I680-F684 HydrophobicContact CG2-CZ 4.39Å; I680-F684 WeakPolarHBondContact O-CD2 3.49Å; I680-F684 PolarHBondContact O-N 3.39Å; D681-F684 PolarHBondContact O-N 2.97Å; F684-A686 PolarHBondContact O-N 3.13Å; F684-N687 PolarHBondContact O-N 3.14Å; F684-V690 HydrophobicContact CD1-CG2 3.82Å; F684-V690 HydrophobicContact CE1-CB 4.07Å; F684-V690 HydrophobicContact CE1-CG2 3.71Å; F684-V690 HydrophobicContact CG-CG2 4.33Å; F684-V690 HydrophobicContact CZ-CB 4.22Å; F684-V690 HydrophobicContact CZ-CG2 4.14Å; F684-M907 HydrophobicContact CE1-CE 4.3Å; F684-M907 HydrophobicContact CE2-CE 3.69Å; F684-M907 HydrophobicContact CZ-CE 3.26Å; F684-P910 HydrophobicContact CD2-CG 4.34Å; F684-P910 HydrophobicContact CE2-CG 4.42Å; F684-R938 HydrophobicContact CE1-CB 3.85Å; F684-R938 HydrophobicContact CE1-CG 3.73Å; F684-R938 HydrophobicContact CZ-CB 3.88Å; F684-R938 HydrophobicContact CZ-CG 3.9Å |
| 685 | A | 89 | Confident | 92.3 | Very high | 53 Ų | 53 | 18.6 Ų | 18.6 | 44% | 0.438 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.7 | -28.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R33 D681 H682 N687 | R33-A685 VanDerWaalsContact NH1-CA 3.32Å; D681-A685 WeakPolarHBondContact O-CB 3.35Å; D681-A685 PolarHBondContact O-N 3.41Å; H682-A685 PolarHBondContact O-N 3.46Å; A685-N687 VanDerWaalsContact C-N 3.29Å |
| 686 | A | 90.1 | Very high | 91.4 | Very high | 38 Ų | 38 | 19.9 Ų | 19.9 | 31% | 0.314 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | L644 H682 A683 F684 F688 | L644-A686 HydrophobicContact CB-CB 4.41Å; H682-A686 WeakPolarHBondContact O-CB 3.33Å; H682-A686 PolarHBondContact O-N 3.17Å; A683-A686 PolarHBondContact O-N 2.9Å; F684-A686 PolarHBondContact O-N 3.13Å; A686-F688 VanDerWaalsContact C-N 3.33Å; A686-F688 HydrophobicContact CB-CD2 3.65Å; A686-F688 HydrophobicContact CB-CE2 3.91Å; A686-F688 WeakPolarHBondContact O-CD2 3.42Å; A686-F688 PolarHBondContact O-N 3.06Å |
| 687 | N | 90.7 | Very high | 89.8 | Confident | 78 Ų | 78 | 24.8 Ų | 24.8 | 42% | 0.417 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 33.9 | -174.7 | -68.6 | -48 | 0 | 0 | 0 | 114.7 | A683 F684 A685 N940 | A683-N687 PolarHBondContact O-N 3.36Å; F684-N687 PolarHBondContact O-N 3.14Å; A685-N687 VanDerWaalsContact C-N 3.29Å; N687-N940 WeakPolarHBondContact O-CB 3.35Å; N687-N940 PolarHBondContact O-ND2 3.4Å |
| 688 | F | 93.1 | Very high | 87.4 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | trans | -86 | 149.1 | 173.2 | -80.3 | -126.1 | 0 | 0 | 0 | 110.9 | L644 P654 M657 A683 A686 | L644-F688 HydrophobicContact CD2-CD1 3.78Å; L644-F688 HydrophobicContact CD2-CD2 4.25Å; L644-F688 HydrophobicContact CD2-CE1 3.82Å; L644-F688 HydrophobicContact CD2-CE2 4.31Å; L644-F688 HydrophobicContact CD2-CG 4.01Å; L644-F688 HydrophobicContact CD2-CZ 4.1Å; P654-F688 HydrophobicContact CB-CE1 3.92Å; P654-F688 HydrophobicContact CG-CE1 3.85Å; P654-F688 HydrophobicContact CG-CZ 4.17Å; P654-F688 WeakPolarHBondContact O-CE1 3.27Å; P654-F688 WeakPolarHBondContact O-CZ 3.43Å; M657-F688 HydrophobicContact CB-CD1 4.35Å; A683-F688 HydrophobicContact CB-CB 4.36Å; A683-F688 WeakPolarHBondContact O-CB 3.02Å; A683-F688 PolarHBondContact O-N 3.25Å; A686-F688 VanDerWaalsContact C-N 3.33Å; A686-F688 HydrophobicContact CB-CD2 3.65Å; A686-F688 HydrophobicContact CB-CE2 3.91Å; A686-F688 WeakPolarHBondContact O-CD2 3.42Å; A686-F688 PolarHBondContact O-N 3.06Å | ||
| 689 | G | 94.3 | Very high | 85 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 137.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N655 I656 M657 R938 | N655-G689 PolarHBondContact O-N 3.49Å; I656-G689 CarbonylContact C-O 3.53Å; I656-G689 VanDerWaalsContact CA-O 3.24Å; I656-G689 WeakPolarHBondContact CA-O 3.24Å; M657-G689 PolarHBondContact N-O 3.31Å; G689-R938 CarbonylContact C-O 3.56Å; G689-R938 VanDerWaalsContact CA-O 3.26Å; G689-R938 WeakPolarHBondContact CA-O 3.4Å |
| 690 | V | 95.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.1 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | M657 I680 A683 F684 V692 M907 V937 R938 | M657-V690 HydrophobicContact CE-CG1 4.13Å; M657-V690 HydrophobicContact CE-CG2 4.45Å; I680-V690 HydrophobicContact CG2-CG1 4.31Å; A683-V690 HydrophobicContact CB-CG2 3.66Å; F684-V690 HydrophobicContact CD1-CG2 3.82Å; F684-V690 HydrophobicContact CE1-CB 4.07Å; F684-V690 HydrophobicContact CE1-CG2 3.71Å; F684-V690 HydrophobicContact CG-CG2 4.33Å; F684-V690 HydrophobicContact CZ-CB 4.22Å; F684-V690 HydrophobicContact CZ-CG2 4.14Å; V690-V692 HydrophobicContact CG1-CG2 4.39Å; V690-M907 HydrophobicContact CB-CE 3.92Å; V690-M907 HydrophobicContact CG1-CE 3.83Å; V690-V937 WeakPolarHBondContact O-CA 3.46Å; V690-R938 PolarHBondContact N-O 3.29Å; V690-R938 PolarHBondContact O-N 3.33Å |
| 691 | C | 96.5 | Very high | 78.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.7 | 175.3 | -67.8 | 0 | 0 | 0 | 0 | 109.5 | I656 M657 L658 I659 L793 L935 L936 | I656-C691 HydrophobicContact CG2-CB 4.42Å; M657-C691 PolarHBondContact O-N 2.97Å; L658-C691 WeakPolarHBondContact CA-O 3.48Å; L658-C691 HydrophobicContact CB-CB 4.43Å; L658-C691 HydrophobicContact CD1-CB 3.53Å; I659-C691 PolarHBondContact N-O 3.49Å; C691-L793 VanDerWaalsContact SG-CD1 3.57Å; C691-L935 HydrophobicContact CB-CD1 4.1Å; C691-L936 CarbonylContact C-O 3.54Å; C691-L936 VanDerWaalsContact CA-O 3.27Å; C691-L936 WeakPolarHBondContact CA-O 3.18Å |
| 692 | V | 96.1 | Very high | 75.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.5 | 172.6 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | I659 F661 Y676 I680 V690 M907 L936 | I659-V692 HydrophobicContact CD1-CG2 3.98Å; I659-V692 HydrophobicContact CG1-CB 4.33Å; I659-V692 HydrophobicContact CG1-CG1 4.3Å; I659-V692 HydrophobicContact CG1-CG2 3.79Å; I659-V692 WeakPolarHBondContact O-CA 3.45Å; F661-V692 HydrophobicContact CB-CG1 4Å; F661-V692 HydrophobicContact CD2-CG1 3.98Å; F661-V692 HydrophobicContact CG-CG1 4.49Å; Y676-V692 VanDerWaalsContact OH-CG1 3.28Å; Y676-V692 WeakPolarHBondContact OH-CG1 3.4Å; I680-V692 HydrophobicContact CD1-CG2 4.26Å; V690-V692 HydrophobicContact CG1-CG2 4.39Å; V692-M907 HydrophobicContact CG2-SD 3.84Å; V692-L936 HydrophobicContact CB-CB 4.1Å; V692-L936 HydrophobicContact CB-CD1 3.97Å; V692-L936 HydrophobicContact CG1-CD1 4.18Å; V692-L936 PolarHBondContact N-O 3.49Å; V692-L936 PolarHBondContact O-N 2.71Å |
| 693 | L | 94.6 | Very high | 72.6 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.4 | 178.4 | -176.2 | 71.7 | 0 | 0 | 0 | 110.3 | L576 F579 L658 I659 F661 T695 F769 T933 L935 | L576-L693 HydrophobicContact CD2-CB 4.09Å; L576-L693 HydrophobicContact CD2-CD2 3.79Å; F579-L693 HydrophobicContact CB-CD2 4.07Å; F579-L693 HydrophobicContact CD1-CD1 4.4Å; F579-L693 HydrophobicContact CD1-CD2 4.15Å; F579-L693 HydrophobicContact CD2-CD1 4.26Å; F579-L693 HydrophobicContact CD2-CD2 4.33Å; F579-L693 HydrophobicContact CE1-CD1 4.22Å; F579-L693 HydrophobicContact CE2-CD1 4.07Å; F579-L693 HydrophobicContact CG-CD1 4.42Å; F579-L693 HydrophobicContact CG-CD2 3.93Å; F579-L693 HydrophobicContact CZ-CD1 4.07Å; L658-L693 HydrophobicContact CD1-CB 4.22Å; I659-L693 PolarHBondContact O-N 2.97Å; F661-L693 PolarHBondContact N-O 3.39Å; L693-T695 HydrophobicContact CD2-CG2 4.33Å; L693-T695 HydrophobicContact CG-CG2 4.32Å; L693-F769 HydrophobicContact CD2-CE2 4.43Å; L693-T933 HydrophobicContact CD1-CG2 3.78Å; L693-L935 HydrophobicContact CB-CD1 4.15Å; L693-L935 HydrophobicContact CD1-CB 4.49Å; L693-L935 HydrophobicContact CD1-CD1 4.01Å |
| 694 | R | 92.6 | Very high | 69.5 | Low | 23 Ų | 23 | 58.1 Ų | 58.1 | 9% | 0.087 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.1 | 168.6 | -173.3 | 178.3 | -178.9 | 158.8 | 4.6 | 109.7 | F661 N696 D925 S928 T933 V934 | F661-R694 HydrophobicContact CB-CB 3.63Å; F661-R694 HydrophobicContact CB-CG 3.93Å; F661-R694 HydrophobicContact CD1-CG 4.06Å; F661-R694 HydrophobicContact CD2-CB 4.47Å; F661-R694 HydrophobicContact CG-CB 4Å; F661-R694 HydrophobicContact CG-CG 3.99Å; R694-N696 PolarHBondContact NE-OD1 3.45Å; R694-D925 IonicContact CZ-OD1 2.77Å; R694-D925 PolarHBondContact NH1-O 3.47Å; R694-D925 IonicContact NH1-OD1 3.35Å; R694-D925 PolarHBondContact NH1-OD1 3.47Å; R694-D925 IonicContact NH2-OD1 2.89Å; R694-D925 PolarHBondContact NH2-OD1 3.35Å; R694-D925 VanDerWaalsContact NH2-OD1 3.15Å; R694-S928 WeakPolarHBondContact CD-O 3.27Å; R694-S928 VanDerWaalsContact CD-OG 3.26Å; R694-S928 WeakPolarHBondContact CD-OG 2.95Å; R694-S928 PolarHBondContact NH1-OG 3.05Å; R694-T933 CarbonylContact O-C 3.58Å; R694-T933 WeakPolarHBondContact O-CA 3.22Å; R694-V934 PolarHBondContact N-O 3.3Å; R694-V934 PolarHBondContact O-N 3.32Å |
| 695 | T | 85.4 | Confident | 66.5 | Low | 14 Ų | 14 | 67.6 Ų | 67.6 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.3 | 172.6 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | H663 L693 F769 T933 | H663-T695 PolarHBondContact CE1-O 2.88Å; L693-T695 HydrophobicContact CD2-CG2 4.33Å; L693-T695 HydrophobicContact CG-CG2 4.32Å; T695-F769 HydrophobicContact CG2-CE2 3.91Å; T695-F769 HydrophobicContact CG2-CZ 3.65Å; T695-T933 HydrophobicContact CG2-CG2 3.88Å |
| 696 | N | 71 | Confident | 63.6 | Low | 59 Ų | 59 | 68.4 Ų | 68.4 | 32% | 0.316 | 39% | 0.391 | S | S | . | . | trans | -96.2 | -4.1 | 178.2 | -66.7 | -30.6 | 0 | 0 | 0 | 112.6 | R694 A698 F931 P932 | R694-N696 PolarHBondContact NE-OD1 3.45Å; N696-A698 PolarHBondContact O-N 2.86Å; N696-F931 WeakPolarHBondContact CB-O 3.43Å; N696-F931 PolarHBondContact ND2-O 3.29Å; N696-P932 PolarHBondContact N-O 3.27Å | ||
| 697 | K | 59.1 | Low | 60.7 | Low | 115 Ų | 115 | 72.2 Ų | 72.2 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -61 | 120.3 | 166.4 | -75.9 | -176.3 | 178 | 176.6 | 0 | 108 | I699 | K697-I699 VanDerWaalsContact C-N 3.28Å; K697-I699 PolarHBondContact O-N 3.45Å |
| 698 | A | 40.7 | Very low | 57.9 | Low | 89 Ų | 89 | 76 Ų | 76 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | trans | -57.4 | 89.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N696 S700 | N696-A698 PolarHBondContact O-N 2.86Å; A698-S700 PolarHBondContact O-N 2.92Å | ||
| 699 | I | 40.7 | Very low | 55 | Low | 75 Ų | 75 | 81.4 Ų | 81.4 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | trans | -69.7 | 96.2 | 158.5 | -58.8 | 168 | 0 | 0 | 0 | 102.5 | H575 K697 P701 | H575-I699 HydrophobicContact CB-CD1 4.29Å; K697-I699 VanDerWaalsContact C-N 3.28Å; K697-I699 PolarHBondContact O-N 3.45Å; I699-P701 WeakPolarHBondContact O-CD 3.26Å | ||
| 700 | S | 25.4 | Very low | 51.9 | Low | 80 Ų | 80 | 87.7 Ų | 87.7 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | trans | -73 | 111.3 | -176.2 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | A698 | A698-S700 PolarHBondContact O-N 2.92Š| ||
| 701 | P | 29.3 | Very low | 49 | Very low | 108 Ų | 108 | 93 Ų | 93 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -84.6 | 123.9 | 155 | 22.4 | -2.8 | 0 | 0 | 0 | 106.5 | I699 | I699-P701 WeakPolarHBondContact O-CD 3.26Š|
| 702 | M | 28.4 | Very low | 46 | Very low | 181 Ų | 181 | 97.6 Ų | 97.6 | 89% | 0.892 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 76.6 | 126.6 | -178.1 | -61.9 | -176.6 | 161.8 | 0 | 0 | 116.3 | ||
| 703 | G | 27 | Very low | 43.1 | Very low | 70 Ų | 70 | 106.1 Ų | 106.1 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | trans | -55.5 | 143.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K705 | G703-K705 PolarHBondContact O-N 2.83Š| ||
| 704 | K | 27.8 | Very low | 40.5 | Very low | 212 Ų | 212 | 113.4 Ų | 113.4 | 92% | 0.922 | 63% | 0.634 | S | S | * | * | trans | -46.2 | 110.2 | 146.2 | -72.3 | -179.5 | 175.7 | -178.4 | 0 | 106.4 | A706 | K704-A706 VanDerWaalsContact C-N 3.25Å; K704-A706 PolarHBondContact O-N 3.35Å | ||
| 705 | K | 29.1 | Very low | 37.9 | Very low | 199 Ų | 199 | 119.2 Ų | 119.2 | 87% | 0.865 | 66% | 0.66 | S | S | * | * | trans | -52.7 | 101.9 | 156.6 | -79.4 | -177.8 | 174 | -178.4 | 0 | 105.3 | G703 | G703-K705 PolarHBondContact O-N 2.83Š| ||
| 706 | A | 27.2 | Very low | 35.6 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 57% | 0.57 | 69% | 0.687 | S | S | * | * | trans | -55.8 | 139.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 106 | K704 L708 | K704-A706 VanDerWaalsContact C-N 3.25Å; K704-A706 PolarHBondContact O-N 3.35Å; A706-L708 PolarHBondContact O-N 3.04Å | ||
| 707 | P | 30.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -59.7 | 109.4 | 172.7 | 2.6 | 6.9 | 0 | 0 | 0 | 106.8 | D709 | P707-D709 PolarHBondContact O-N 2.89Š| ||
| 708 | L | 30.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | trans | -82.3 | 104.2 | 166.9 | -130.5 | 95.4 | 0 | 0 | 0 | 105.1 | A706 T710 | A706-L708 PolarHBondContact O-N 3.04Å; L708-T710 PolarHBondContact O-N 2.92Å | ||
| 709 | D | 33.1 | Very low | 33.3 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | trans | -55.4 | 128.4 | 166.5 | -68.1 | -40.3 | 0 | 0 | 0 | 109.5 | P707 | P707-D709 PolarHBondContact O-N 2.89Š| ||
| 710 | T | 29.4 | Very low | 33.4 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | 46 | 83.7 | 152.6 | 58.2 | 0 | 0 | 0 | 0 | 117.6 | L708 | L708-T710 PolarHBondContact O-N 2.92Š| ||
| 711 | V | 33.7 | Very low | 34.3 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | -142.6 | 94.5 | 147.3 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 712 | T | 33.5 | Very low | 35 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | trans | 26.7 | 121.9 | 153.3 | 42.4 | 0 | 0 | 0 | 0 | 119.7 | E714 | T712-E714 PolarHBondContact O-N 3.39Š| ||
| 713 | E | 35.1 | Very low | 35.9 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -7.7 | 178.2 | -67.5 | 174.6 | 149 | 0 | 0 | 115.4 | K715 | E713-K715 PolarHBondContact O-N 3.01Š|
| 714 | E | 40.7 | Very low | 36.7 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.3 | -16.6 | -176.9 | -67.1 | 179.7 | 156.3 | 0 | 0 | 114.8 | T712 | T712-E714 PolarHBondContact O-N 3.39Å |
| 715 | K | 38.2 | Very low | 37.5 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -93.3 | -14.2 | -177.1 | -77.8 | -172 | 175.2 | -178.3 | 0 | 116 | E713 | E713-K715 PolarHBondContact O-N 3.01Å |
| 716 | Q | 36.1 | Very low | 38.2 | Very low | 144 Ų | 144 | 128 Ų | 128 | 67% | 0.673 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.1 | -23.9 | 179.2 | -81.5 | -179.2 | -15.2 | 0 | 0 | 113.1 | ||
| 717 | E | 42 | Very low | 39 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75.1 | -34 | 173.2 | -68.2 | -172.8 | 158.6 | 0 | 0 | 111.8 | H721 | E717-H721 WeakPolarHBondContact O-CB 3.44Å; E717-H721 PolarHBondContact O-N 3.28Å |
| 718 | E | 40.6 | Very low | 39.6 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.2 | -40.8 | 177.1 | -79.3 | -171.1 | 147.3 | 0 | 0 | 113.4 | H721 L722 | E718-H721 PolarHBondContact O-N 2.86Å; E718-L722 PolarHBondContact O-N 2.98Å |
| 719 | E | 40.8 | Very low | 40.3 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 67% | 0.668 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.9 | -35.5 | 178.5 | -97.5 | -175.3 | 158.3 | 0 | 0 | 112.6 | L722 I723 | E719-L722 PolarHBondContact O-N 3.26Å; E719-I723 WeakPolarHBondContact O-CG1 3.41Å; E719-I723 PolarHBondContact O-N 3.13Å; E719-I723 VanDerWaalsContact O-N 3.12Å |
| 720 | Q | 42.1 | Very low | 40.8 | Very low | 147 Ų | 147 | 125 Ų | 125 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.2 | -35.6 | 174.3 | -73.7 | -175.3 | -4.9 | 0 | 0 | 111.9 | K724 | Q720-K724 WeakPolarHBondContact O-CB 3.23Å; Q720-K724 PolarHBondContact O-N 3.37Å; Q720-K724 VanDerWaalsContact O-N 3.1Å |
| 721 | H | 45.3 | Very low | 41.3 | Very low | 123 Ų | 123 | 126 Ų | 126 | 57% | 0.569 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.1 | -35 | 172.3 | -118.3 | -76 | 0 | 0 | 0 | 112.4 | E717 E718 N725 | E717-H721 WeakPolarHBondContact O-CB 3.44Å; E717-H721 PolarHBondContact O-N 3.28Å; E718-H721 PolarHBondContact O-N 2.86Å; H721-N725 VanDerWaalsContact O-CB 3.32Å; H721-N725 WeakPolarHBondContact O-CB 3.42Å; H721-N725 PolarHBondContact O-N 3.48Å; H721-N725 PolarHBondContact O-ND2 2.83Å |
| 722 | L | 44.1 | Very low | 41.7 | Very low | 121 Ų | 121 | 124 Ų | 124 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.4 | -42.3 | 177.1 | -130 | 86.5 | 0 | 0 | 0 | 112.2 | E718 E719 N725 V726 | E718-L722 PolarHBondContact O-N 2.98Å; E719-L722 PolarHBondContact O-N 3.26Å; L722-N725 PolarHBondContact O-N 3.45Å; L722-V726 VanDerWaalsContact O-CG2 3.27Å; L722-V726 WeakPolarHBondContact O-CG2 3.42Å; L722-V726 PolarHBondContact O-N 2.83Å; L722-V726 VanDerWaalsContact O-N 3.09Å |
| 723 | I | 47.3 | Very low | 41.9 | Very low | 116 Ų | 116 | 126 Ų | 126 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.6 | -39.7 | 178.7 | -66.4 | 167.4 | 0 | 0 | 0 | 110.6 | E719 V726 V727 | E719-I723 WeakPolarHBondContact O-CG1 3.41Å; E719-I723 PolarHBondContact O-N 3.13Å; E719-I723 VanDerWaalsContact O-N 3.12Å; I723-V726 PolarHBondContact O-N 2.9Å; I723-V727 WeakPolarHBondContact O-CG2 3.48Å; I723-V727 PolarHBondContact O-N 3.06Å; I723-V727 VanDerWaalsContact O-N 3.09Å |
| 724 | K | 43.9 | Very low | 41.9 | Very low | 137 Ų | 137 | 124 Ų | 124 | 60% | 0.596 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.9 | -42.2 | 176.4 | -153.2 | 175.3 | -176.5 | -176.5 | 0 | 111.9 | Q720 V726 V727 D728 | Q720-K724 WeakPolarHBondContact O-CB 3.23Å; Q720-K724 PolarHBondContact O-N 3.37Å; Q720-K724 VanDerWaalsContact O-N 3.1Å; K724-V726 VanDerWaalsContact C-N 3.27Å; K724-V726 PolarHBondContact O-N 3.5Å; K724-V727 PolarHBondContact O-N 3.21Å; K724-D728 WeakPolarHBondContact O-CB 2.97Å; K724-D728 VanDerWaalsContact O-CG 3.3Å; K724-D728 PolarHBondContact O-N 2.85Å |
| 725 | N | 43.3 | Very low | 41.6 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 45% | 0.449 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.2 | -27.5 | 174.8 | -75.7 | -17 | 0 | 0 | 0 | 113.8 | H721 L722 K729 | H721-N725 VanDerWaalsContact O-CB 3.32Å; H721-N725 WeakPolarHBondContact O-CB 3.42Å; H721-N725 PolarHBondContact O-N 3.48Å; H721-N725 PolarHBondContact O-ND2 2.83Å; L722-N725 PolarHBondContact O-N 3.45Å; N725-K729 WeakPolarHBondContact O-CB 3.27Å; N725-K729 WeakPolarHBondContact O-CG 3.24Å; N725-K729 PolarHBondContact O-N 2.96Å |
| 726 | V | 45.1 | Very low | 41.4 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.5 | -37.7 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | L722 I723 K724 V730 | L722-V726 VanDerWaalsContact O-CG2 3.27Å; L722-V726 WeakPolarHBondContact O-CG2 3.42Å; L722-V726 PolarHBondContact O-N 2.83Å; L722-V726 VanDerWaalsContact O-N 3.09Å; I723-V726 PolarHBondContact O-N 2.9Å; K724-V726 VanDerWaalsContact C-N 3.27Å; K724-V726 PolarHBondContact O-N 3.5Å; V726-V730 VanDerWaalsContact O-CG2 3.3Å; V726-V730 WeakPolarHBondContact O-CG2 3.24Å; V726-V730 PolarHBondContact O-N 3.22Å |
| 727 | V | 44.3 | Very low | 41.1 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 47% | 0.473 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.1 | -43.1 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | I723 K724 K729 V730 E731 | I723-V727 WeakPolarHBondContact O-CG2 3.48Å; I723-V727 PolarHBondContact O-N 3.06Å; I723-V727 VanDerWaalsContact O-N 3.09Å; K724-V727 PolarHBondContact O-N 3.21Å; V727-K729 VanDerWaalsContact C-N 3.3Å; V727-K729 PolarHBondContact O-N 3.45Å; V727-V730 PolarHBondContact O-N 3.43Å; V727-E731 PolarHBondContact O-N 2.98Å |
| 728 | D | 43 | Very low | 40.4 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.2 | -29 | 178.8 | -67.9 | -18.6 | 0 | 0 | 0 | 112.4 | K724 A732 | K724-D728 WeakPolarHBondContact O-CB 2.97Å; K724-D728 VanDerWaalsContact O-CG 3.3Å; K724-D728 PolarHBondContact O-N 2.85Å; D728-A732 WeakPolarHBondContact O-CB 3.21Å; D728-A732 PolarHBondContact O-N 3.21Å |
| 729 | K | 44.1 | Very low | 40.1 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.6 | -31.2 | 173.7 | -84.6 | -174.7 | 174.3 | -174.9 | 0 | 113.8 | N725 V727 E731 | N725-K729 WeakPolarHBondContact O-CB 3.27Å; N725-K729 WeakPolarHBondContact O-CG 3.24Å; N725-K729 PolarHBondContact O-N 2.96Å; V727-K729 VanDerWaalsContact C-N 3.3Å; V727-K729 PolarHBondContact O-N 3.45Å; K729-E731 VanDerWaalsContact C-N 3.32Å |
| 730 | V | 43.1 | Very low | 39.6 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.7 | -25.5 | 178.1 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | V726 V727 | V726-V730 VanDerWaalsContact O-CG2 3.3Å; V726-V730 WeakPolarHBondContact O-CG2 3.24Å; V726-V730 PolarHBondContact O-N 3.22Å; V727-V730 PolarHBondContact O-N 3.43Å |
| 731 | E | 41.2 | Very low | 38.8 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -88.6 | -17.5 | 176 | -72.5 | -173.7 | 155.9 | 0 | 0 | 114 | V727 K729 | V727-E731 PolarHBondContact O-N 2.98Å; K729-E731 VanDerWaalsContact C-N 3.32Å |
| 732 | A | 41.9 | Very low | 37.8 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 58% | 0.579 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -88 | -24 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D728 N734 | D728-A732 WeakPolarHBondContact O-CB 3.21Å; D728-A732 PolarHBondContact O-N 3.21Å; A732-N734 PolarHBondContact O-N 3.18Å |
| 733 | D | 37.3 | Very low | 37 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -83.7 | 15.5 | -174.2 | -78.3 | -13.2 | 0 | 0 | 0 | 114.7 | ||
| 734 | N | 35.2 | Very low | 35.9 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -114.8 | 46.9 | 177.2 | -74.3 | -52.5 | 0 | 0 | 0 | 112.8 | A732 | A732-N734 PolarHBondContact O-N 3.18Š|
| 735 | V | 35.4 | Very low | 35.3 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 75% | 0.745 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -147.1 | 135.5 | 161 | -164 | 0 | 0 | 0 | 0 | 108.4 | ||
| 736 | E | 33.3 | Very low | 34.6 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | 91.6 | 88 | 172.9 | -51.4 | -165.5 | 157.9 | 0 | 0 | 117.9 | ||||
| 737 | D | 30 | Very low | 34.1 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | 28.1 | 131.5 | 123.8 | -79.2 | -14.5 | 0 | 0 | 0 | 121 | |||||
| 738 | N | 28 | Very low | 33.7 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 94.8 | 120.2 | 140 | -75.6 | -32.7 | 0 | 0 | 0 | 120.3 | ||||
| 739 | I | 32.3 | Very low | 33.3 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | trans | 104.4 | 104 | 140 | -63.1 | 155.7 | 0 | 0 | 0 | 117.7 | ||||
| 740 | Q | 30.3 | Very low | 32.8 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | 88.3 | 122.8 | 137.4 | -76.3 | 167.4 | -5.2 | 0 | 0 | 121.7 | ||||
| 741 | E | 26.8 | Very low | 33 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | trans | -50.5 | 123.3 | 168.5 | -62.9 | 172.2 | 139.1 | 0 | 0 | 114 | ||||
| 742 | K | 23.6 | Very low | 33 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | 156.7 | 111.3 | 125.5 | -90.7 | 173.1 | 178.5 | 173.9 | 0 | 110.3 | |||||
| 743 | S | 27.1 | Very low | 32.8 | Very low | 86 Ų | 86 | 146.1 Ų | 146.1 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | trans | -178.3 | 125.4 | 137.1 | 46.2 | 0 | 0 | 0 | 0 | 109.9 | Y745 | S743-Y745 PolarHBondContact O-N 3.43Å; S743-Y745 WeakPolarHBondContact OG-CD2 3.33Å; S743-Y745 VanDerWaalsContact OG-CE2 3.31Å; S743-Y745 WeakPolarHBondContact OG-CE2 3.45Å | ||
| 744 | E | 25.7 | Very low | 33.2 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 94% | 0.944 | 72% | 0.723 | S | S | * | * | trans | -40.1 | 122.2 | 154.7 | -78.2 | 161.3 | 129 | 0 | 0 | 110 | ||||
| 745 | Y | 30.1 | Very low | 33.6 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | trans | -122.8 | 119 | 165.3 | -96.4 | -83.8 | 0 | 0 | 0 | 109.3 | S743 T747 | S743-Y745 PolarHBondContact O-N 3.43Å; S743-Y745 WeakPolarHBondContact OG-CD2 3.33Å; S743-Y745 VanDerWaalsContact OG-CE2 3.31Å; S743-Y745 WeakPolarHBondContact OG-CE2 3.45Å; Y745-T747 PolarHBondContact O-N 3.26Å | ||
| 746 | D | 28.4 | Very low | 34.1 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | trans | -44.2 | 95.9 | 168.2 | -90.2 | -42.4 | 0 | 0 | 0 | 112.4 | ||||
| 747 | T | 35.4 | Very low | 34.6 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | trans | -88.5 | -7.2 | 165 | 40 | 0 | 0 | 0 | 0 | 113 | Y745 G749 | Y745-T747 PolarHBondContact O-N 3.26Å; T747-G749 PolarHBondContact O-N 2.99Å | ||
| 748 | N | 35 | Very low | 35.4 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.9 | -19.2 | -175.3 | -72.8 | -20.8 | 0 | 0 | 0 | 114.4 | ||
| 749 | G | 35 | Very low | 36.1 | Very low | 43 Ų | 43 | 130.9 Ų | 130.9 | 44% | 0.443 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -82.7 | -34.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116 | T747 | T747-G749 PolarHBondContact O-N 2.99Å |
| 750 | R | 34.3 | Very low | 36.4 | Very low | 209 Ų | 209 | 133.4 Ų | 133.4 | 79% | 0.789 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.2 | -32.8 | -174.9 | -70.6 | -178.1 | -174.3 | 174.9 | 2.6 | 112.9 | E752 T754 | R750-E752 VanDerWaalsContact C-N 3.34Å; R750-T754 PolarHBondContact O-N 3.19Å; R750-T754 PolarHBondContact O-OG1 2.93Å |
| 751 | D | 47.2 | Very low | 37 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.3 | -33.7 | 176.2 | -76.8 | -7.9 | 0 | 0 | 0 | 111.8 | T754 F755 | D751-T754 PolarHBondContact O-N 3.47Å; D751-F755 WeakPolarHBondContact O-CB 3.2Å; D751-F755 PolarHBondContact O-N 2.82Å |
| 752 | E | 41.7 | Very low | 37.6 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 58% | 0.575 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.3 | -35.3 | -179 | -163.6 | 149 | -154.6 | 0 | 0 | 112.5 | R750 F755 Q756 | R750-E752 VanDerWaalsContact C-N 3.34Å; E752-F755 PolarHBondContact O-N 3.2Å; E752-Q756 WeakPolarHBondContact O-CB 3.42Å; E752-Q756 VanDerWaalsContact O-CG 3.25Å; E752-Q756 WeakPolarHBondContact O-CG 3.5Å; E752-Q756 PolarHBondContact O-N 2.88Å |
| 753 | Q | 36.7 | Very low | 38.4 | Very low | 142 Ų | 142 | 117.6 Ų | 117.6 | 66% | 0.664 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.3 | -42 | 173.1 | -71.4 | -175.9 | -4.2 | 0 | 0 | 112 | Q756 A757 | Q753-Q756 PolarHBondContact O-N 3.44Å; Q753-A757 WeakPolarHBondContact O-CB 3.32Å; Q753-A757 PolarHBondContact O-N 2.87Å |
| 754 | T | 44.9 | Very low | 39 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -43.6 | 175.3 | -47.4 | 0 | 0 | 0 | 0 | 110.4 | R750 D751 Q756 A757 I758 | R750-T754 PolarHBondContact O-N 3.19Å; R750-T754 PolarHBondContact O-OG1 2.93Å; D751-T754 PolarHBondContact O-N 3.47Å; T754-Q756 VanDerWaalsContact C-N 3.33Å; T754-Q756 PolarHBondContact O-N 3.16Å; T754-A757 PolarHBondContact O-N 3.09Å; T754-I758 HydrophobicContact CG2-CD1 4.02Å; T754-I758 WeakPolarHBondContact O-CB 3.43Å; T754-I758 WeakPolarHBondContact O-CD1 3.29Å; T754-I758 WeakPolarHBondContact O-CG1 3.45Å; T754-I758 PolarHBondContact O-N 3.04Å |
| 755 | F | 45.4 | Very low | 39.8 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 36% | 0.355 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.8 | -36.9 | 173.6 | -116.9 | -86.9 | 0 | 0 | 0 | 112.9 | M571 D751 E752 R759 | M571-F755 HydrophobicContact CE-CE1 4.38Å; M571-F755 HydrophobicContact CE-CZ 4.47Å; D751-F755 WeakPolarHBondContact O-CB 3.2Å; D751-F755 PolarHBondContact O-N 2.82Å; E752-F755 PolarHBondContact O-N 3.2Å; F755-R759 VanDerWaalsContact O-CB 3.31Å; F755-R759 WeakPolarHBondContact O-CB 3.45Å; F755-R759 PolarHBondContact O-N 2.88Å |
| 756 | Q | 44.9 | Very low | 40.6 | Very low | 102 Ų | 102 | 115 Ų | 115 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -40.8 | 176.8 | -79.4 | -174.9 | 15.2 | 0 | 0 | 112.3 | E752 Q753 T754 R759 R760 | E752-Q756 WeakPolarHBondContact O-CB 3.42Å; E752-Q756 VanDerWaalsContact O-CG 3.25Å; E752-Q756 WeakPolarHBondContact O-CG 3.5Å; E752-Q756 PolarHBondContact O-N 2.88Å; Q753-Q756 PolarHBondContact O-N 3.44Å; T754-Q756 VanDerWaalsContact C-N 3.33Å; T754-Q756 PolarHBondContact O-N 3.16Å; Q756-R759 VanDerWaalsContact O-CB 3.26Å; Q756-R759 WeakPolarHBondContact O-CB 3.36Å; Q756-R759 PolarHBondContact O-N 3.09Å; Q756-R760 PolarHBondContact O-N 3.33Å |
| 757 | A | 43.8 | Very low | 41.7 | Very low | 52 Ų | 52 | 108.5 Ų | 108.5 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q753 T754 R759 R760 I761 | Q753-A757 WeakPolarHBondContact O-CB 3.32Å; Q753-A757 PolarHBondContact O-N 2.87Å; T754-A757 PolarHBondContact O-N 3.09Å; A757-R759 VanDerWaalsContact C-N 3.29Å; A757-R759 PolarHBondContact O-N 3.44Å; A757-R760 PolarHBondContact O-N 2.86Å; A757-R760 VanDerWaalsContact O-N 3.12Å; A757-I761 WeakPolarHBondContact O-CG1 3.19Å; A757-I761 PolarHBondContact O-N 2.78Å |
| 758 | I | 47.8 | Very low | 42.6 | Very low | 59 Ų | 59 | 105.6 Ų | 105.6 | 30% | 0.303 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 173.5 | -65.5 | 166.6 | 0 | 0 | 0 | 111.1 | M571 T754 I761 S762 | M571-I758 HydrophobicContact CE-CG2 3.93Å; M571-I758 HydrophobicContact SD-CG2 3.86Å; T754-I758 HydrophobicContact CG2-CD1 4.02Å; T754-I758 WeakPolarHBondContact O-CB 3.43Å; T754-I758 WeakPolarHBondContact O-CD1 3.29Å; T754-I758 WeakPolarHBondContact O-CG1 3.45Å; T754-I758 PolarHBondContact O-N 3.04Å; I758-I761 PolarHBondContact O-N 2.82Å; I758-S762 WeakPolarHBondContact O-CB 3.21Å; I758-S762 PolarHBondContact O-N 2.97Å; I758-S762 PolarHBondContact O-OG 3.32Å |
| 759 | R | 41.9 | Very low | 43.7 | Very low | 168 Ų | 168 | 100.2 Ų | 100.2 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 171.8 | -121.1 | 178.5 | 173 | 179.9 | -1.8 | 111.7 | F755 Q756 A757 I761 S762 V763 | F755-R759 VanDerWaalsContact O-CB 3.31Å; F755-R759 WeakPolarHBondContact O-CB 3.45Å; F755-R759 PolarHBondContact O-N 2.88Å; Q756-R759 VanDerWaalsContact O-CB 3.26Å; Q756-R759 WeakPolarHBondContact O-CB 3.36Å; Q756-R759 PolarHBondContact O-N 3.09Å; A757-R759 VanDerWaalsContact C-N 3.29Å; A757-R759 PolarHBondContact O-N 3.44Å; R759-I761 VanDerWaalsContact C-N 3.33Å; R759-S762 WeakPolarHBondContact CA-OG 3.36Å; R759-S762 PolarHBondContact O-OG 3.5Å; R759-V763 VanDerWaalsContact O-CB 3.28Å; R759-V763 WeakPolarHBondContact O-CB 3.36Å; R759-V763 WeakPolarHBondContact O-CG2 3.24Å; R759-V763 PolarHBondContact O-N 2.99Å |
| 760 | R | 39.3 | Very low | 44.8 | Very low | 190 Ų | 190 | 104.2 Ų | 104.2 | 72% | 0.717 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 177 | -74.6 | -177.7 | 177.5 | 168.6 | 0.7 | 111.1 | Q756 A757 I764 | Q756-R760 PolarHBondContact O-N 3.33Å; A757-R760 PolarHBondContact O-N 2.86Å; A757-R760 VanDerWaalsContact O-N 3.12Å; R760-I764 WeakPolarHBondContact O-CD1 3.36Å; R760-I764 WeakPolarHBondContact O-CG1 3.42Å; R760-I764 PolarHBondContact O-N 3.45Å |
| 761 | I | 42.7 | Very low | 46 | Very low | 107 Ų | 107 | 98 Ų | 98 | 55% | 0.549 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -48.1 | 178.2 | -63.6 | 165.8 | 0 | 0 | 0 | 111 | A757 I758 R759 V763 I764 E765 | A757-I761 WeakPolarHBondContact O-CG1 3.19Å; A757-I761 PolarHBondContact O-N 2.78Å; I758-I761 PolarHBondContact O-N 2.82Å; R759-I761 VanDerWaalsContact C-N 3.33Å; I761-V763 VanDerWaalsContact C-N 3.34Å; I761-V763 PolarHBondContact O-N 2.95Å; I761-I764 PolarHBondContact O-N 3.42Å; I761-E765 PolarHBondContact O-N 2.84Å |
| 762 | S | 38.4 | Very low | 47.1 | Very low | 36 Ų | 36 | 100.4 Ų | 100.4 | 25% | 0.252 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.2 | -25.1 | 179 | 55 | 0 | 0 | 0 | 0 | 114.5 | I758 R759 | I758-S762 WeakPolarHBondContact O-CB 3.21Å; I758-S762 PolarHBondContact O-N 2.97Å; I758-S762 PolarHBondContact O-OG 3.32Å; R759-S762 WeakPolarHBondContact CA-OG 3.36Å; R759-S762 PolarHBondContact O-OG 3.5Å |
| 763 | V | 41.5 | Very low | 48.8 | Very low | 97 Ų | 97 | 96.8 Ų | 96.8 | 59% | 0.588 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.6 | -28 | 173.8 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | R759 I761 | R759-V763 VanDerWaalsContact O-CB 3.28Å; R759-V763 WeakPolarHBondContact O-CB 3.36Å; R759-V763 WeakPolarHBondContact O-CG2 3.24Å; R759-V763 PolarHBondContact O-N 2.99Å; I761-V763 VanDerWaalsContact C-N 3.34Å; I761-V763 PolarHBondContact O-N 2.95Å |
| 764 | I | 38.9 | Very low | 50.5 | Low | 144 Ų | 144 | 99.5 Ų | 99.5 | 74% | 0.738 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -78.7 | -28.7 | 178.5 | -67.8 | 167.2 | 0 | 0 | 0 | 111 | R760 I761 R766 | R760-I764 WeakPolarHBondContact O-CD1 3.36Å; R760-I764 WeakPolarHBondContact O-CG1 3.42Å; R760-I764 PolarHBondContact O-N 3.45Å; I761-I764 PolarHBondContact O-N 3.42Å; I764-R766 PolarHBondContact O-N 3.26Å |
| 765 | E | 43.6 | Very low | 52.1 | Low | 71 Ų | 71 | 104.9 Ų | 104.9 | 33% | 0.332 | 50% | 0.497 | S | S | . | . | trans | -96.3 | 64.1 | 174.2 | -66.6 | -175.8 | 174.6 | 0 | 0 | 112.3 | I761 G767 | I761-E765 PolarHBondContact O-N 2.84Å; E765-G767 VanDerWaalsContact C-N 3.34Å; E765-G767 PolarHBondContact O-N 2.9Å | ||
| 766 | R | 45.7 | Very low | 54.1 | Low | 214 Ų | 214 | 101 Ų | 101 | 81% | 0.808 | 48% | 0.48 | S | S | * | . | trans | -64.6 | 101.6 | 161 | -77.6 | -171.5 | -172.3 | 176.2 | 4.4 | 108 | I764 | I764-R766 PolarHBondContact O-N 3.26Š| ||
| 767 | G | 51.2 | Low | 56.3 | Low | 15 Ų | 15 | 97.7 Ų | 97.7 | 16% | 0.155 | 47% | 0.467 | C | S | . | . | trans | -49.1 | 144.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E765 F769 F770 | E765-G767 VanDerWaalsContact C-N 3.34Å; E765-G767 PolarHBondContact O-N 2.9Å; G767-F769 PolarHBondContact O-N 3.21Å; G767-F770 PolarHBondContact O-N 3.23Å | ||
| 768 | A | 54.5 | Low | 58.7 | Low | 45 Ų | 45 | 95.2 Ų | 95.2 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -12.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 769 | F | 58.6 | Low | 60.9 | Low | 12 Ų | 12 | 92.4 Ų | 92.4 | 5% | 0.053 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 0.1 | -177.8 | -58.6 | -62.4 | 0 | 0 | 0 | 114.2 | H575 D578 F579 L693 T695 G767 Y803 T933 | H575-F769 HydrophobicContact CB-CD2 3.79Å; H575-F769 HydrophobicContact CB-CE2 3.88Å; H575-F769 WeakPolarHBondContact O-CD2 3.21Å; D578-F769 HydrophobicContact CB-CB 3.67Å; F579-F769 HydrophobicContact CB-CD2 4.39Å; F579-F769 HydrophobicContact CD2-CD1 4.3Å; F579-F769 HydrophobicContact CD2-CE1 4.08Å; F579-F769 HydrophobicContact CD2-CZ 4.3Å; L693-F769 HydrophobicContact CD2-CE2 4.43Å; T695-F769 HydrophobicContact CG2-CE2 3.91Å; T695-F769 HydrophobicContact CG2-CZ 3.65Å; G767-F769 PolarHBondContact O-N 3.21Å; F769-Y803 HydrophobicContact CB-CD1 4.29Å; F769-Y803 HydrophobicContact CB-CG 4.39Å; F769-Y803 HydrophobicContact CD1-CD1 4.14Å; F769-Y803 AromaticContact CD1-CD2 3.92Å; F769-Y803 HydrophobicContact CD1-CD2 3.92Å; F769-Y803 AromaticContact CD1-CE1 3.7Å; F769-Y803 HydrophobicContact CD1-CE1 3.7Å; F769-Y803 AromaticContact CD1-CE2 3.43Å; F769-Y803 HydrophobicContact CD1-CE2 3.43Å; F769-Y803 VanDerWaalsContact CD1-CE2 3.43Å; F769-Y803 HydrophobicContact CD1-CG 4.26Å; F769-Y803 AromaticContact CD1-CZ 3.33Å; F769-Y803 HydrophobicContact CE1-CE1 4.35Å; F769-Y803 AromaticContact CE1-CE2 3.86Å; F769-Y803 HydrophobicContact CE1-CE2 3.86Å; F769-Y803 AromaticContact CE1-CZ 3.66Å; F769-Y803 WeakPolarHBondContact CE1-OH 3.34Å; F769-Y803 HydrophobicContact CG-CE1 4.48Å; F769-Y803 WeakPolarHBondContact O-CB 3.43Å; F769-T933 HydrophobicContact CE1-CG2 4.42Å; F769-T933 HydrophobicContact CZ-CG2 4.12Å |
| 770 | F | 57.3 | Low | 63.4 | Low | 128 Ų | 128 | 84.4 Ų | 84.4 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -30.2 | 175.7 | -114.3 | -76 | 0 | 0 | 0 | 113.3 | D578 Y624 G767 | D578-F770 VanDerWaalsContact CG-CD2 3.49Å; D578-F770 VanDerWaalsContact OD1-CD2 3.28Å; D578-F770 WeakPolarHBondContact OD1-CD2 3.35Å; D578-F770 WeakPolarHBondContact OD1-CE2 3.38Å; D578-F770 WeakPolarHBondContact OD2-CD2 3.29Å; Y624-F770 HydrophobicContact CE1-CE2 4.29Å; Y624-F770 HydrophobicContact CE1-CZ 4.44Å; Y624-F770 WeakPolarHBondContact OH-CE2 3.44Å; G767-F770 PolarHBondContact O-N 3.23Å |
| 771 | S | 60.9 | Low | 66 | Low | 78 Ų | 78 | 75.4 Ų | 75.4 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -88.4 | 127.9 | 179.5 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | I773 | S771-I773 PolarHBondContact O-N 2.86Š|
| 772 | R | 69.6 | Low | 68.4 | Low | 162 Ų | 162 | 70.3 Ų | 70.3 | 61% | 0.611 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 130.6 | 173.9 | -69.5 | -175.7 | -176.9 | 168.7 | 3.2 | 110.9 | Y803 | R772-Y803 WeakPolarHBondContact CA-O 3.1Š|
| 773 | I | 77.8 | Confident | 70.8 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 119.9 | 173.8 | -54.1 | 175.8 | 0 | 0 | 0 | 108.1 | S771 A776 Y803 L804 E901 | S771-I773 PolarHBondContact O-N 2.86Å; I773-A776 HydrophobicContact CB-CB 4.18Å; I773-A776 HydrophobicContact CG2-CB 3.98Å; I773-Y803 HydrophobicContact CD1-CD2 4.33Å; I773-Y803 PolarHBondContact N-O 3.4Å; I773-L804 HydrophobicContact CB-CD2 4.46Å; I773-L804 HydrophobicContact CD1-CD2 4.22Å; I773-E901 HydrophobicContact CD1-CG 4.03Å; I773-E901 HydrophobicContact CG2-CG 4.16Å |
| 774 | K | 71.9 | Confident | 73 | Confident | 199 Ų | 199 | 65.2 Ų | 65.2 | 87% | 0.865 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 134.4 | 176.4 | -67.1 | -176.5 | -179.4 | 178.3 | 0 | 109.4 | A776 | K774-A776 VanDerWaalsContact C-N 3.34Å; K774-A776 PolarHBondContact O-N 2.95Å |
| 775 | K | 78.3 | Confident | 75.2 | Confident | 196 Ų | 196 | 58.4 Ų | 58.4 | 85% | 0.852 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 34.5 | 176.7 | -56.8 | -177.9 | 177.5 | 179.5 | 0 | 114.8 | ||
| 776 | A | 87 | Confident | 77.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | trans | -66.5 | 154.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I773 K774 L804 A807 R808 E901 | I773-A776 HydrophobicContact CB-CB 4.18Å; I773-A776 HydrophobicContact CG2-CB 3.98Å; K774-A776 VanDerWaalsContact C-N 3.34Å; K774-A776 PolarHBondContact O-N 2.95Å; A776-L804 HydrophobicContact CB-CD2 3.58Å; A776-A807 HydrophobicContact CB-CB 4.01Å; A776-A807 VanDerWaalsContact O-CA 3.26Å; A776-A807 WeakPolarHBondContact O-CA 3.18Å; A776-A807 WeakPolarHBondContact O-CB 3.4Å; A776-R808 PolarHBondContact O-N 2.77Å; A776-E901 WeakPolarHBondContact CA-OE2 3.14Å; A776-E901 HydrophobicContact CB-CB 4.15Å; A776-E901 HydrophobicContact CB-CG 3.91Å | ||
| 777 | T | 91.5 | Very high | 79.2 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.9 | 173.8 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | E901 | T777-E901 PolarHBondContact N-OE2 3.33Å; T777-E901 PolarHBondContact O-N 3.02Å; T777-E901 PolarHBondContact OG1-OE2 3.48Å |
| 778 | I | 93.6 | Very high | 81 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.9 | 176 | -55.4 | 176.5 | 0 | 0 | 0 | 108.2 | V780 P794 L797 T798 L804 A807 R808 I809 R810 L902 V904 | I778-V780 HydrophobicContact CG2-CG2 4.1Å; I778-P794 HydrophobicContact CG2-CB 3.7Å; I778-L797 HydrophobicContact CD1-CB 4.4Å; I778-T798 HydrophobicContact CD1-CG2 4.07Å; I778-L804 HydrophobicContact CD1-CB 4.12Å; I778-L804 HydrophobicContact CD1-CD1 3.65Å; I778-L804 HydrophobicContact CG1-CD1 3.85Å; I778-A807 HydrophobicContact CD1-CB 3.86Å; I778-A807 HydrophobicContact CG1-CB 3.88Å; I778-R808 PolarHBondContact N-O 3.28Å; I778-I809 HydrophobicContact CB-CG1 4.49Å; I778-I809 CarbonylContact O-C 3.56Å; I778-I809 WeakPolarHBondContact O-CA 3.08Å; I778-R810 PolarHBondContact O-N 3.45Å; I778-L902 WeakPolarHBondContact CA-O 3.43Å; I778-L902 HydrophobicContact CG1-CB 4.49Å; I778-L902 HydrophobicContact CG2-CB 4.45Å; I778-L902 HydrophobicContact CG2-CD2 4.29Å; I778-L902 HydrophobicContact CG2-CG 4.43Å; I778-V904 HydrophobicContact CG2-CG2 4.23Å |
| 779 | D | 94.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123 | 178 | -69.4 | -5.8 | 0 | 0 | 0 | 110 | Y781 R810 F812 S897 S900 L902 I903 V904 | D779-Y781 HydrophobicContact CB-CD2 4.47Å; D779-Y781 HydrophobicContact CB-CE2 4Å; D779-R810 WeakPolarHBondContact CA-O 3.3Å; D779-R810 VanDerWaalsContact CG-NH2 3.31Å; D779-R810 IonicContact OD1-CZ 2.78Å; D779-R810 VanDerWaalsContact OD1-CZ 3.3Å; D779-R810 IonicContact OD1-NE 3.42Å; D779-R810 PolarHBondContact OD1-NE 2.84Å; D779-R810 IonicContact OD1-NH2 2.71Å; D779-R810 PolarHBondContact OD1-NH2 3.35Å; D779-R810 VanDerWaalsContact OD1-NH2 3.11Å; D779-R810 IonicContact OD2-CZ 3.91Å; D779-R810 IonicContact OD2-NE 3.74Å; D779-R810 IonicContact OD2-NH2 3.57Å; D779-R810 PolarHBondContact OD2-NH2 3.02Å; D779-F812 HydrophobicContact CB-CD2 4.32Å; D779-F812 HydrophobicContact CB-CE2 3.85Å; D779-S897 WeakPolarHBondContact OD2-CA 3.38Å; D779-S897 WeakPolarHBondContact OD2-CB 3.15Å; D779-S897 PolarHBondContact OD2-OG 3.27Å; D779-S900 PolarHBondContact OD1-OG 3.11Å; D779-S900 WeakPolarHBondContact OD2-CB 3.28Å; D779-S900 PolarHBondContact OD2-OG 3.23Å; D779-L902 PolarHBondContact N-O 3.39Å; D779-I903 CarbonylContact O-C 3.59Å; D779-I903 WeakPolarHBondContact O-CA 3.26Å; D779-V904 PolarHBondContact O-N 2.9Å |
| 780 | V | 94.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 101.9 | -176 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | I778 W782 T790 P794 I809 R810 V811 F812 V904 | I778-V780 HydrophobicContact CG2-CG2 4.1Å; V780-W782 HydrophobicContact CG1-CB 4.48Å; V780-W782 PolarHBondContact O-N 3.39Å; V780-T790 HydrophobicContact CG1-CG2 3.89Å; V780-P794 HydrophobicContact CG1-CG 4.31Å; V780-P794 HydrophobicContact CG2-CB 3.8Å; V780-P794 HydrophobicContact CG2-CG 3.53Å; V780-I809 HydrophobicContact CG2-CG2 3.76Å; V780-R810 PolarHBondContact N-O 2.88Å; V780-V811 CarbonylContact O-C 3.53Å; V780-V811 WeakPolarHBondContact O-CA 3.49Å; V780-F812 PolarHBondContact O-N 3.4Å; V780-V904 CarbonylContact C-O 3.58Å; V780-V904 WeakPolarHBondContact CA-O 3.21Å; V780-V904 HydrophobicContact CG2-CB 4.47Å |
| 781 | Y | 94.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 84.4 | 173.4 | -72.2 | -93.8 | 0 | 0 | 0 | 109.8 | D779 L783 F812 I845 F892 M893 S897 I903 V904 I905 T906 | D779-Y781 HydrophobicContact CB-CD2 4.47Å; D779-Y781 HydrophobicContact CB-CE2 4Å; Y781-L783 VanDerWaalsContact C-N 3.34Å; Y781-L783 HydrophobicContact CD1-CD2 4.29Å; Y781-L783 PolarHBondContact O-N 3.45Å; Y781-L783 VanDerWaalsContact O-N 3.16Å; Y781-F812 HydrophobicContact CD1-CB 3.6Å; Y781-F812 HydrophobicContact CD1-CD2 4.43Å; Y781-F812 HydrophobicContact CD1-CG 4.08Å; Y781-F812 HydrophobicContact CD2-CD2 4.26Å; Y781-F812 HydrophobicContact CE1-CB 3.74Å; Y781-F812 HydrophobicContact CE1-CD1 4.15Å; Y781-F812 HydrophobicContact CE1-CD2 4.1Å; Y781-F812 AromaticContact CE1-CG 3.74Å; Y781-F812 HydrophobicContact CE1-CG 3.74Å; Y781-F812 AromaticContact CE2-CD2 3.92Å; Y781-F812 HydrophobicContact CE2-CD2 3.92Å; Y781-F812 HydrophobicContact CE2-CE2 4.28Å; Y781-F812 HydrophobicContact CE2-CG 4.41Å; Y781-F812 HydrophobicContact CG-CB 4.1Å; Y781-F812 AromaticContact CZ-CD2 3.83Å; Y781-F812 AromaticContact CZ-CG 3.91Å; Y781-I845 HydrophobicContact CD1-CD1 4.23Å; Y781-I845 HydrophobicContact CE1-CD1 4.17Å; Y781-F892 AromaticContact CE1-CD1 3.89Å; Y781-F892 HydrophobicContact CE1-CD1 3.89Å; Y781-F892 HydrophobicContact CE1-CE1 4.24Å; Y781-M893 HydrophobicContact CD1-CG 4.16Å; Y781-M893 HydrophobicContact CD2-CG 4.41Å; Y781-M893 HydrophobicContact CE1-CG 3.66Å; Y781-M893 HydrophobicContact CE2-CG 3.94Å; Y781-M893 WeakPolarHBondContact OH-CA 3.34Å; Y781-S897 VanDerWaalsContact CE2-OG 3.31Å; Y781-S897 WeakPolarHBondContact CE2-OG 3.41Å; Y781-S897 PolarHBondContact OH-OG 3.04Å; Y781-I903 HydrophobicContact CD2-CG2 3.67Å; Y781-I903 HydrophobicContact CE2-CG2 3.8Å; Y781-V904 PolarHBondContact N-O 2.97Å; Y781-I905 HydrophobicContact CG-CD1 4.35Å; Y781-I905 HydrophobicContact CG-CG1 4.46Å; Y781-T906 PolarHBondContact O-N 3.46Å; Y781-T906 VanDerWaalsContact O-N 3.08Å; Y781-T906 PolarHBondContact O-OG1 2.95Å |
| 782 | W | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -88.5 | 75.4 | 178.1 | -164.3 | 22.6 | 0 | 0 | 0 | 110.4 | P8 Y13 V780 F784 D786 T790 L791 F812 M828 L831 F835 | P8-W782 HydrophobicContact CB-CD2 3.95Å; P8-W782 HydrophobicContact CB-CE3 3.95Å; P8-W782 HydrophobicContact CB-CH2 3.66Å; P8-W782 HydrophobicContact CB-CZ2 3.64Å; P8-W782 HydrophobicContact CB-CZ3 3.81Å; P8-W782 HydrophobicContact CG-CD2 3.5Å; P8-W782 VanDerWaalsContact CG-CE2 3.47Å; P8-W782 HydrophobicContact CG-CE3 3.93Å; P8-W782 HydrophobicContact CG-CG 3.88Å; P8-W782 HydrophobicContact CG-CH2 4.29Å; P8-W782 HydrophobicContact CG-CZ2 3.89Å; P8-W782 HydrophobicContact CG-CZ3 4.3Å; Y13-W782 HydrophobicContact CE2-CH2 4.17Å; Y13-W782 HydrophobicContact CE2-CZ2 4.38Å; Y13-W782 WeakPolarHBondContact OH-CZ2 3.5Å; V780-W782 HydrophobicContact CG1-CB 4.48Å; V780-W782 PolarHBondContact O-N 3.39Å; W782-F784 VanDerWaalsContact CD1-O 3.28Å; W782-F784 PolarHBondContact NE1-O 3.34Å; W782-D786 PolarHBondContact NE1-OD1 2.98Å; W782-T790 HydrophobicContact CB-CG2 4.44Å; W782-T790 HydrophobicContact CG-CG2 4.49Å; W782-L791 HydrophobicContact CZ3-CD2 4.26Å; W782-F812 PolarHBondContact N-O 3.4Å; W782-M828 HydrophobicContact CE3-CE 3.88Å; W782-M828 HydrophobicContact CE3-SD 3.76Å; W782-M828 HydrophobicContact CZ3-CE 4.13Å; W782-M828 HydrophobicContact CZ3-SD 3.76Å; W782-L831 HydrophobicContact CH2-CD2 3.92Å; W782-L831 HydrophobicContact CZ3-CD2 3.87Å; W782-F835 HydrophobicContact CH2-CE2 4.41Å | ||
| 783 | L | 88.7 | Confident | 88.7 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | trans | -80 | -34.2 | -169.9 | -54.8 | -178.4 | 0 | 0 | 0 | 112.6 | L7 Y781 I814 I845 T889 I905 T906 | L7-L783 WeakPolarHBondContact CD2-O 3.45Å; Y781-L783 VanDerWaalsContact C-N 3.34Å; Y781-L783 HydrophobicContact CD1-CD2 4.29Å; Y781-L783 PolarHBondContact O-N 3.45Å; Y781-L783 VanDerWaalsContact O-N 3.16Å; L783-I814 HydrophobicContact CB-CD1 3.87Å; L783-I814 HydrophobicContact CB-CG1 4.49Å; L783-I814 HydrophobicContact CD2-CD1 3.9Å; L783-I814 HydrophobicContact CD2-CG1 3.83Å; L783-I814 HydrophobicContact CG-CD1 4.33Å; L783-I845 HydrophobicContact CD2-CD1 4.34Å; L783-T889 HydrophobicContact CD1-CG2 3.76Å; L783-I905 HydrophobicContact CD1-CD1 4.05Å; L783-I905 HydrophobicContact CD1-CG1 4.12Å; L783-T906 PolarHBondContact N-OG1 2.73Å | ||
| 784 | F | 87.6 | Confident | 89.4 | Confident | 22 Ų | 22 | 22.6 Ų | 22.6 | 10% | 0.096 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -136.6 | 150.8 | -179.8 | -57.7 | -74.1 | 0 | 0 | 0 | 109.7 | E5 W782 D786 T906 | E5-F784 HydrophobicContact CB-CB 4.42Å; E5-F784 HydrophobicContact CB-CD1 3.44Å; E5-F784 VanDerWaalsContact CB-CD1 3.44Å; E5-F784 HydrophobicContact CB-CE1 3.81Å; E5-F784 HydrophobicContact CB-CG 3.99Å; E5-F784 HydrophobicContact CG-CD1 4.35Å; E5-F784 WeakPolarHBondContact OE2-CZ 3.47Å; W782-F784 VanDerWaalsContact CD1-O 3.28Å; W782-F784 PolarHBondContact NE1-O 3.34Å; F784-D786 PolarHBondContact O-N 3.02Å; F784-T906 HydrophobicContact CB-CG2 4.16Å; F784-T906 HydrophobicContact CD2-CG2 4.43Å |
| 785 | D | 86.1 | Confident | 90.3 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.011 | 7% | 0.07 | C | C | . | . | trans | -68.6 | 131.5 | 176.6 | -162.5 | 17.8 | 0 | 0 | 0 | 110.6 | T6 P8 H12 Y13 R26 Q941 | T6-D785 PolarHBondContact O-N 3.37Å; P8-D785 HydrophobicContact CG-CB 4.47Å; H12-D785 WeakPolarHBondContact CB-OD2 3.33Å; H12-D785 IonicContact CE1-OD2 2.97Å; H12-D785 IonicContact CG-OD2 3.96Å; H12-D785 IonicContact ND1-OD2 3.79Å; H12-D785 PolarHBondContact ND1-OD2 2.93Å; Y13-D785 PolarHBondContact OH-OD1 2.9Å; R26-D785 IonicContact CZ-OD1 3.05Å; R26-D785 IonicContact CZ-OD2 3.92Å; R26-D785 IonicContact NE-OD1 3.8Å; R26-D785 IonicContact NE-OD2 2.73Å; R26-D785 PolarHBondContact NE-OD2 2.88Å; R26-D785 VanDerWaalsContact NH2-CG 3.27Å; R26-D785 IonicContact NH2-OD1 3.66Å; R26-D785 PolarHBondContact NH2-OD1 3.08Å; R26-D785 IonicContact NH2-OD2 2.76Å; R26-D785 PolarHBondContact NH2-OD2 3.4Å; D785-Q941 PolarHBondContact O-NE2 3.23Å; D785-Q941 PolarHBondContact O-OE1 3.05Å; D785-Q941 VanDerWaalsContact O-OE1 3.06Å | ||
| 786 | D | 87.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -135.3 | 15.8 | -173.9 | 75.8 | -32.1 | 0 | 0 | 0 | 112.3 | W782 F784 G788 L789 T790 G939 | W782-D786 PolarHBondContact NE1-OD1 2.98Å; F784-D786 PolarHBondContact O-N 3.02Å; D786-G788 VanDerWaalsContact C-N 3.34Å; D786-G788 PolarHBondContact OD1-N 2.87Å; D786-L789 PolarHBondContact OD1-N 2.9Å; D786-T790 VanDerWaalsContact CG-OG1 3.29Å; D786-T790 WeakPolarHBondContact OD2-CB 3.32Å; D786-T790 PolarHBondContact OD2-N 3.32Å; D786-T790 PolarHBondContact OD2-OG1 2.74Å; D786-G939 VanDerWaalsContact O-CA 3.26Å; D786-G939 WeakPolarHBondContact O-CA 3.18Å; D786-G939 PolarHBondContact OD2-N 3.13Å |
| 787 | G | 84.3 | Confident | 91.2 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | S | Bend | trans | 90.2 | -6.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y13 R26 Q942 S943 V944 | Y13-G787 VanDerWaalsContact OH-C 3.23Å; R26-G787 VanDerWaalsContact NH1-CA 3.32Å; G787-Q942 VanDerWaalsContact CA-O 3.31Å; G787-Q942 WeakPolarHBondContact CA-O 3.48Å; G787-S943 WeakPolarHBondContact O-CA 3.39Å; G787-V944 WeakPolarHBondContact O-CG2 3.19Å; G787-V944 PolarHBondContact O-N 3Å |
| 788 | G | 88.9 | Confident | 91.1 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | S | Bend | trans | 92.5 | 9.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y13 D786 T790 L791 L792 V944 | Y13-G788 PolarHBondContact OH-N 2.97Å; Y13-G788 VanDerWaalsContact OH-N 3.09Å; D786-G788 VanDerWaalsContact C-N 3.34Å; D786-G788 PolarHBondContact OD1-N 2.87Å; G788-T790 VanDerWaalsContact C-N 3.34Å; G788-L791 PolarHBondContact O-N 2.65Å; G788-L791 VanDerWaalsContact O-N 3.14Å; G788-L792 PolarHBondContact O-N 3.42Å; G788-V944 VanDerWaalsContact C-CG2 3.45Å |
| 789 | L | 92 | Very high | 90.9 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.6 | -175.8 | 64.9 | 0 | 0 | 0 | 111.1 | I656 D786 L791 L792 L793 V937 V944 | I656-L789 HydrophobicContact CD1-CD1 3.69Å; I656-L789 HydrophobicContact CD1-CD2 4.32Å; I656-L789 HydrophobicContact CG1-CD1 4.36Å; I656-L789 HydrophobicContact CG1-CD2 4.16Å; D786-L789 PolarHBondContact OD1-N 2.9Å; L789-L791 PolarHBondContact O-N 3.11Å; L789-L791 VanDerWaalsContact O-N 3.14Å; L789-L792 PolarHBondContact O-N 3.39Å; L789-L793 HydrophobicContact CD1-CD1 4.27Å; L789-L793 HydrophobicContact CD1-CD2 4.05Å; L789-L793 HydrophobicContact CD1-CG 3.93Å; L789-L793 HydrophobicContact CG-CD1 4.17Å; L789-L793 HydrophobicContact CG-CG 4.24Å; L789-L793 WeakPolarHBondContact O-CG 3.34Å; L789-L793 PolarHBondContact O-N 3.23Å; L789-L793 VanDerWaalsContact O-N 3.17Å; L789-V937 HydrophobicContact CB-CG1 4.42Å; L789-V937 HydrophobicContact CD2-CG1 4.04Å; L789-V937 HydrophobicContact CG-CG1 3.96Å; L789-V944 HydrophobicContact CB-CG2 4.3Å |
| 790 | T | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -54.2 | -29.9 | 173.7 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | V780 W782 D786 G788 P794 V904 | V780-T790 HydrophobicContact CG1-CG2 3.89Å; W782-T790 HydrophobicContact CB-CG2 4.44Å; W782-T790 HydrophobicContact CG-CG2 4.49Å; D786-T790 VanDerWaalsContact CG-OG1 3.29Å; D786-T790 WeakPolarHBondContact OD2-CB 3.32Å; D786-T790 PolarHBondContact OD2-N 3.32Å; D786-T790 PolarHBondContact OD2-OG1 2.74Å; G788-T790 VanDerWaalsContact C-N 3.34Å; T790-P794 WeakPolarHBondContact O-CD 3.28Å; T790-P794 WeakPolarHBondContact O-CG 3.33Å; T790-V904 HydrophobicContact CG2-CG1 4.11Å |
| 791 | L | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -91.6 | -37.8 | 178.1 | -173.6 | 69.6 | 0 | 0 | 0 | 113.1 | W782 G788 L789 P794 H795 V811 L832 F835 V837 L945 | W782-L791 HydrophobicContact CZ3-CD2 4.26Å; G788-L791 PolarHBondContact O-N 2.65Å; G788-L791 VanDerWaalsContact O-N 3.14Å; L789-L791 PolarHBondContact O-N 3.11Å; L789-L791 VanDerWaalsContact O-N 3.14Å; L791-P794 WeakPolarHBondContact O-CD 3.49Å; L791-P794 WeakPolarHBondContact O-CG 3.4Å; L791-H795 WeakPolarHBondContact O-CB 3.34Å; L791-H795 PolarHBondContact O-N 2.9Å; L791-V811 HydrophobicContact CD1-CG2 4.38Å; L791-L832 HydrophobicContact CD1-CD2 3.62Å; L791-L832 HydrophobicContact CD2-CD2 3.41Å; L791-L832 VanDerWaalsContact CD2-CD2 3.41Å; L791-L832 HydrophobicContact CG-CD2 4.16Å; L791-F835 HydrophobicContact CD2-CD2 3.89Å; L791-F835 HydrophobicContact CD2-CE2 4.42Å; L791-V837 HydrophobicContact CD1-CG1 4.28Å; L791-V837 HydrophobicContact CD2-CG2 4.2Å; L791-V837 HydrophobicContact CG-CG2 4.39Å; L791-L945 HydrophobicContact CB-CD1 4.26Å; L791-L945 HydrophobicContact CD2-CD1 3.89Å; L791-L945 HydrophobicContact CG-CD1 4.3Å |
| 792 | L | 91.9 | Very high | 89.3 | Confident | 18 Ų | 18 | 21.1 Ų | 21.1 | 9% | 0.094 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | -177.5 | 176.8 | 64.4 | 0 | 0 | 0 | 112.3 | Y559 G788 L789 H795 L796 V944 L945 | Y559-L792 HydrophobicContact CD1-CD2 3.77Å; Y559-L792 HydrophobicContact CE1-CD2 3.73Å; G788-L792 PolarHBondContact O-N 3.42Å; L789-L792 PolarHBondContact O-N 3.39Å; L792-H795 WeakPolarHBondContact O-CB 3.41Å; L792-H795 PolarHBondContact O-N 3.4Å; L792-L796 HydrophobicContact CD1-CD1 4.25Å; L792-L796 HydrophobicContact CD1-CD2 4.49Å; L792-L796 HydrophobicContact CD1-CG 4.11Å; L792-L796 HydrophobicContact CG-CD1 4.1Å; L792-L796 HydrophobicContact CG-CG 4.36Å; L792-L796 WeakPolarHBondContact O-CG 3.49Å; L792-L796 PolarHBondContact O-N 3.19Å; L792-V944 HydrophobicContact CB-CG2 4.14Å; L792-V944 HydrophobicContact CD2-CB 4.04Å; L792-V944 HydrophobicContact CD2-CG2 3.85Å; L792-L945 HydrophobicContact CB-CD1 4.3Å; L792-L945 HydrophobicContact CB-CG 4.34Å; L792-L945 HydrophobicContact CD1-CD2 3.95Å |
| 793 | L | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59 | -52.5 | -178.5 | -63.5 | -178.2 | 0 | 0 | 0 | 113.6 | P561 I583 I656 C691 L789 H795 L796 L797 L935 V937 | P561-L793 HydrophobicContact CB-CD2 4.42Å; I583-L793 HydrophobicContact CD1-CD2 4.43Å; I583-L793 HydrophobicContact CG2-CD2 3.76Å; I656-L793 HydrophobicContact CD1-CD2 4.32Å; C691-L793 VanDerWaalsContact SG-CD1 3.57Å; L789-L793 HydrophobicContact CD1-CD1 4.27Å; L789-L793 HydrophobicContact CD1-CD2 4.05Å; L789-L793 HydrophobicContact CD1-CG 3.93Å; L789-L793 HydrophobicContact CG-CD1 4.17Å; L789-L793 HydrophobicContact CG-CG 4.24Å; L789-L793 WeakPolarHBondContact O-CG 3.34Å; L789-L793 PolarHBondContact O-N 3.23Å; L789-L793 VanDerWaalsContact O-N 3.17Å; L793-H795 VanDerWaalsContact C-N 3.31Å; L793-H795 PolarHBondContact O-N 2.85Å; L793-L796 PolarHBondContact O-N 3.32Å; L793-L797 PolarHBondContact O-N 3.06Å; L793-L797 VanDerWaalsContact O-N 3.11Å; L793-L935 HydrophobicContact CD1-CD2 4.14Å; L793-V937 HydrophobicContact CD1-CG1 4.01Å; L793-V937 HydrophobicContact CD1-CG2 4.03Å |
| 794 | P | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.4 | -34.9 | 176.1 | 23.4 | -32.5 | 0 | 0 | 0 | 112.3 | I778 V780 T790 L791 L796 L797 T798 V904 | I778-P794 HydrophobicContact CG2-CB 3.7Å; V780-P794 HydrophobicContact CG1-CG 4.31Å; V780-P794 HydrophobicContact CG2-CB 3.8Å; V780-P794 HydrophobicContact CG2-CG 3.53Å; T790-P794 WeakPolarHBondContact O-CD 3.28Å; T790-P794 WeakPolarHBondContact O-CG 3.33Å; L791-P794 WeakPolarHBondContact O-CD 3.49Å; L791-P794 WeakPolarHBondContact O-CG 3.4Å; P794-L796 PolarHBondContact O-N 3.49Å; P794-L797 WeakPolarHBondContact O-CB 3.35Å; P794-L797 PolarHBondContact O-N 2.88Å; P794-T798 PolarHBondContact O-N 2.9Å; P794-V904 HydrophobicContact CB-CG2 4.1Å; P794-V904 HydrophobicContact CG-CG2 4.29Å |
| 795 | H | 91.7 | Very high | 88.8 | Confident | 40 Ų | 40 | 23.7 Ų | 23.7 | 19% | 0.185 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 173.5 | 177.1 | 69.8 | 0 | 0 | 0 | 111.8 | L791 L792 L793 L797 T798 V837 | L791-H795 WeakPolarHBondContact O-CB 3.34Å; L791-H795 PolarHBondContact O-N 2.9Å; L792-H795 WeakPolarHBondContact O-CB 3.41Å; L792-H795 PolarHBondContact O-N 3.4Å; L793-H795 VanDerWaalsContact C-N 3.31Å; L793-H795 PolarHBondContact O-N 2.85Å; H795-L797 VanDerWaalsContact C-N 3.25Å; H795-L797 PolarHBondContact O-N 2.78Å; H795-T798 PolarHBondContact O-N 3.41Å; H795-T798 PolarHBondContact O-OG1 3.21Å; H795-V837 HydrophobicContact CB-CG1 4.22Å; H795-V837 HydrophobicContact CB-CG2 4.38Å |
| 796 | L | 91.5 | Very high | 88.8 | Confident | 30 Ų | 30 | 26.5 Ų | 26.5 | 16% | 0.157 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -37.6 | 175.8 | -70.1 | 174.6 | 0 | 0 | 0 | 111.6 | P561 I583 K585 L792 L793 P794 T798 L799 | P561-L796 HydrophobicContact CG-CD1 3.63Å; I583-L796 HydrophobicContact CG2-CD1 4.27Å; K585-L796 WeakPolarHBondContact CE-O 3.46Å; K585-L796 PolarHBondContact NZ-O 3.02Å; L792-L796 HydrophobicContact CD1-CD1 4.25Å; L792-L796 HydrophobicContact CD1-CD2 4.49Å; L792-L796 HydrophobicContact CD1-CG 4.11Å; L792-L796 HydrophobicContact CG-CD1 4.1Å; L792-L796 HydrophobicContact CG-CG 4.36Å; L792-L796 WeakPolarHBondContact O-CG 3.49Å; L792-L796 PolarHBondContact O-N 3.19Å; L793-L796 PolarHBondContact O-N 3.32Å; P794-L796 PolarHBondContact O-N 3.49Å; L796-T798 PolarHBondContact O-N 3.21Å; L796-L799 HydrophobicContact CD2-CD1 3.93Å; L796-L799 PolarHBondContact O-N 3.39Å |
| 797 | L | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -18.9 | 176.6 | -70.8 | 172.6 | 0 | 0 | 0 | 113.9 | F579 I583 I778 L793 P794 H795 S802 Y803 L804 L902 | F579-L797 HydrophobicContact CE2-CD1 4.12Å; F579-L797 HydrophobicContact CZ-CD1 4.09Å; I583-L797 HydrophobicContact CG1-CD2 3.82Å; I583-L797 HydrophobicContact CG1-CG 4.14Å; I778-L797 HydrophobicContact CD1-CB 4.4Å; L793-L797 PolarHBondContact O-N 3.06Å; L793-L797 VanDerWaalsContact O-N 3.11Å; P794-L797 WeakPolarHBondContact O-CB 3.35Å; P794-L797 PolarHBondContact O-N 2.88Å; H795-L797 VanDerWaalsContact C-N 3.25Å; H795-L797 PolarHBondContact O-N 2.78Å; L797-S802 WeakPolarHBondContact CA-OG 3.43Å; L797-S802 WeakPolarHBondContact CD2-OG 3.48Å; L797-S802 WeakPolarHBondContact O-CB 3.28Å; L797-S802 PolarHBondContact O-OG 3.02Å; L797-Y803 HydrophobicContact CD2-CE1 4Å; L797-L804 HydrophobicContact CB-CB 4.49Å; L797-L804 HydrophobicContact CD1-CD1 4.49Å; L797-L804 CarbonylContact O-C 3.59Å; L797-L804 VanDerWaalsContact O-C 3.28Å; L797-L902 HydrophobicContact CD1-CD2 3.51Å |
| 798 | T | 91 | Very high | 89.3 | Confident | 23 Ų | 23 | 35.1 Ų | 35.1 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -83.8 | -21 | 175.9 | 67.3 | 0 | 0 | 0 | 0 | 114 | I778 P794 H795 L796 Q805 G806 A807 I809 | I778-T798 HydrophobicContact CD1-CG2 4.07Å; P794-T798 PolarHBondContact O-N 2.9Å; H795-T798 PolarHBondContact O-N 3.41Å; H795-T798 PolarHBondContact O-OG1 3.21Å; L796-T798 PolarHBondContact O-N 3.21Å; T798-Q805 WeakPolarHBondContact O-CA 3.38Å; T798-G806 PolarHBondContact O-N 2.96Å; T798-A807 HydrophobicContact CG2-CB 4.33Å; T798-I809 HydrophobicContact CG2-CD1 3.7Å; T798-I809 HydrophobicContact CG2-CG1 3.81Å |
| 799 | L | 89.3 | Confident | 89.5 | Confident | 65 Ų | 65 | 35.2 Ų | 35.2 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -73.2 | 164.9 | -179.6 | -34.1 | 167.3 | 0 | 0 | 0 | 111.2 | K585 L796 | K585-L799 VanDerWaalsContact NZ-C 3.27Å; K585-L799 VanDerWaalsContact NZ-CB 3.29Å; K585-L799 PolarHBondContact NZ-O 3Å; L796-L799 HydrophobicContact CD2-CD1 3.93Å; L796-L799 PolarHBondContact O-N 3.39Å |
| 800 | P | 85.3 | Confident | 89.6 | Confident | 81 Ų | 81 | 37.2 Ų | 37.2 | 53% | 0.526 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 156.9 | -179.4 | -26.8 | 35.5 | 0 | 0 | 0 | 114.6 | K585 S802 | K585-P800 PolarHBondContact NZ-O 3.23Å; P800-S802 PolarHBondContact O-N 3.15Å |
| 801 | K | 79.9 | Confident | 89.6 | Confident | 155 Ų | 155 | 37.2 Ų | 37.2 | 67% | 0.674 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -5.3 | -176.6 | -54.7 | -177.6 | 176.4 | -178.3 | 0 | 116.5 | ||
| 802 | S | 83.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -85.8 | 157.4 | 169.5 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L797 P800 L804 Q805 | L797-S802 WeakPolarHBondContact CA-OG 3.43Å; L797-S802 WeakPolarHBondContact CD2-OG 3.48Å; L797-S802 WeakPolarHBondContact O-CB 3.28Å; L797-S802 PolarHBondContact O-OG 3.02Å; P800-S802 PolarHBondContact O-N 3.15Å; S802-L804 VanDerWaalsContact C-N 3.28Å; S802-L804 PolarHBondContact O-N 2.99Å; S802-L804 PolarHBondContact OG-N 3.16Å; S802-Q805 WeakPolarHBondContact O-CB 3.44Å; S802-Q805 PolarHBondContact O-N 3.06Å |
| 803 | Y | 84.7 | Confident | 89.5 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22 | 174.8 | 77.1 | -82.5 | 0 | 0 | 0 | 113.6 | F579 F769 R772 I773 L797 | F579-Y803 AromaticContact CD2-CE1 4Å; F579-Y803 HydrophobicContact CD2-CE1 4Å; F579-Y803 HydrophobicContact CE2-CE1 4.29Å; F579-Y803 WeakPolarHBondContact CE2-OH 3.5Å; F769-Y803 HydrophobicContact CB-CD1 4.29Å; F769-Y803 HydrophobicContact CB-CG 4.39Å; F769-Y803 HydrophobicContact CD1-CD1 4.14Å; F769-Y803 AromaticContact CD1-CD2 3.92Å; F769-Y803 HydrophobicContact CD1-CD2 3.92Å; F769-Y803 AromaticContact CD1-CE1 3.7Å; F769-Y803 HydrophobicContact CD1-CE1 3.7Å; F769-Y803 AromaticContact CD1-CE2 3.43Å; F769-Y803 HydrophobicContact CD1-CE2 3.43Å; F769-Y803 VanDerWaalsContact CD1-CE2 3.43Å; F769-Y803 HydrophobicContact CD1-CG 4.26Å; F769-Y803 AromaticContact CD1-CZ 3.33Å; F769-Y803 HydrophobicContact CE1-CE1 4.35Å; F769-Y803 AromaticContact CE1-CE2 3.86Å; F769-Y803 HydrophobicContact CE1-CE2 3.86Å; F769-Y803 AromaticContact CE1-CZ 3.66Å; F769-Y803 WeakPolarHBondContact CE1-OH 3.34Å; F769-Y803 HydrophobicContact CG-CE1 4.48Å; F769-Y803 WeakPolarHBondContact O-CB 3.43Å; R772-Y803 WeakPolarHBondContact CA-O 3.1Å; I773-Y803 HydrophobicContact CD1-CD2 4.33Å; I773-Y803 PolarHBondContact N-O 3.4Å; L797-Y803 HydrophobicContact CD2-CE1 4Å |
| 804 | L | 86.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 28.3 | 175 | -60.6 | 177.8 | 0 | 0 | 0 | 112.8 | I773 A776 I778 L797 S802 G806 A807 E901 L902 | I773-L804 HydrophobicContact CB-CD2 4.46Å; I773-L804 HydrophobicContact CD1-CD2 4.22Å; A776-L804 HydrophobicContact CB-CD2 3.58Å; I778-L804 HydrophobicContact CD1-CB 4.12Å; I778-L804 HydrophobicContact CD1-CD1 3.65Å; I778-L804 HydrophobicContact CG1-CD1 3.85Å; L797-L804 HydrophobicContact CB-CB 4.49Å; L797-L804 HydrophobicContact CD1-CD1 4.49Å; L797-L804 CarbonylContact O-C 3.59Å; L797-L804 VanDerWaalsContact O-C 3.28Å; S802-L804 VanDerWaalsContact C-N 3.28Å; S802-L804 PolarHBondContact O-N 2.99Å; S802-L804 PolarHBondContact OG-N 3.16Å; L804-G806 PolarHBondContact O-N 3.21Å; L804-A807 HydrophobicContact CB-CB 4.01Å; L804-A807 WeakPolarHBondContact O-CB 3.48Å; L804-A807 PolarHBondContact O-N 3.23Å; L804-E901 HydrophobicContact CD2-CB 4.37Å; L804-L902 HydrophobicContact CD1-CB 3.96Å; L804-L902 HydrophobicContact CD1-CD2 3.82Å |
| 805 | Q | 87.3 | Confident | 88.5 | Confident | 72 Ų | 72 | 37.3 Ų | 37.3 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 124.5 | 179.3 | 179.7 | 179.5 | -10.8 | 0 | 0 | 111.2 | T798 S802 A807 | T798-Q805 WeakPolarHBondContact O-CA 3.38Å; S802-Q805 WeakPolarHBondContact O-CB 3.44Å; S802-Q805 PolarHBondContact O-N 3.06Å; Q805-A807 VanDerWaalsContact C-N 3.31Å |
| 806 | G | 86.8 | Confident | 87.7 | Confident | 60 Ų | 60 | 40.8 Ų | 40.8 | 62% | 0.619 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 14.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T798 L804 | T798-G806 PolarHBondContact O-N 2.96Å; L804-G806 PolarHBondContact O-N 3.21Å |
| 807 | A | 89.6 | Confident | 86.9 | Confident | 11 Ų | 11 | 41 Ų | 41 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 149.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | A776 I778 T798 L804 Q805 | A776-A807 HydrophobicContact CB-CB 4.01Å; A776-A807 VanDerWaalsContact O-CA 3.26Å; A776-A807 WeakPolarHBondContact O-CA 3.18Å; A776-A807 WeakPolarHBondContact O-CB 3.4Å; I778-A807 HydrophobicContact CD1-CB 3.86Å; I778-A807 HydrophobicContact CG1-CB 3.88Å; T798-A807 HydrophobicContact CG2-CB 4.33Å; L804-A807 HydrophobicContact CB-CB 4.01Å; L804-A807 WeakPolarHBondContact O-CB 3.48Å; L804-A807 PolarHBondContact O-N 3.23Å; Q805-A807 VanDerWaalsContact C-N 3.31Å |
| 808 | R | 92.1 | Very high | 86.1 | Confident | 171 Ų | 171 | 44.6 Ų | 44.6 | 65% | 0.645 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 127.7 | 176.9 | -64.4 | 178.6 | 178 | -179.8 | -3.2 | 109.5 | A776 I778 | A776-R808 PolarHBondContact O-N 2.77Å; I778-R808 PolarHBondContact N-O 3.28Å |
| 809 | I | 93 | Very high | 85.4 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.4 | 179.2 | -58.6 | 179.7 | 0 | 0 | 0 | 109.7 | I778 V780 T798 V811 V837 F839 S840 | I778-I809 HydrophobicContact CB-CG1 4.49Å; I778-I809 CarbonylContact O-C 3.56Å; I778-I809 WeakPolarHBondContact O-CA 3.08Å; V780-I809 HydrophobicContact CG2-CG2 3.76Å; T798-I809 HydrophobicContact CG2-CD1 3.7Å; T798-I809 HydrophobicContact CG2-CG1 3.81Å; I809-V811 HydrophobicContact CG2-CG2 3.92Å; I809-V837 HydrophobicContact CD1-CG1 4.24Å; I809-F839 CarbonylContact O-C 3.57Å; I809-F839 WeakPolarHBondContact O-CA 3.4Å; I809-S840 PolarHBondContact O-N 3.43Å; I809-S840 PolarHBondContact O-OG 3.01Å; I809-S840 VanDerWaalsContact O-OG 3.1Å |
| 810 | R | 94.3 | Very high | 84.8 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.5 | 171.3 | -52.1 | -168.9 | -68.5 | 165 | 1.7 | 108.7 | I778 D779 V780 F812 S840 E841 N896 S900 | I778-R810 PolarHBondContact O-N 3.45Å; D779-R810 WeakPolarHBondContact CA-O 3.3Å; D779-R810 VanDerWaalsContact CG-NH2 3.31Å; D779-R810 IonicContact OD1-CZ 2.78Å; D779-R810 VanDerWaalsContact OD1-CZ 3.3Å; D779-R810 IonicContact OD1-NE 3.42Å; D779-R810 PolarHBondContact OD1-NE 2.84Å; D779-R810 IonicContact OD1-NH2 2.71Å; D779-R810 PolarHBondContact OD1-NH2 3.35Å; D779-R810 VanDerWaalsContact OD1-NH2 3.11Å; D779-R810 IonicContact OD2-CZ 3.91Å; D779-R810 IonicContact OD2-NE 3.74Å; D779-R810 IonicContact OD2-NH2 3.57Å; D779-R810 PolarHBondContact OD2-NH2 3.02Å; V780-R810 PolarHBondContact N-O 2.88Å; R810-F812 HydrophobicContact CB-CE2 3.89Å; R810-F812 HydrophobicContact CB-CZ 4.39Å; R810-S840 WeakPolarHBondContact CG-OG 3.22Å; R810-E841 HydrophobicContact CB-CG 3.93Å; R810-E841 VanDerWaalsContact CD-OE1 3.26Å; R810-E841 WeakPolarHBondContact CD-OE1 2.63Å; R810-E841 HydrophobicContact CG-CG 3.82Å; R810-E841 IonicContact NH1-OE1 2.65Å; R810-N896 PolarHBondContact NH2-O 2.89Å; R810-S900 PolarHBondContact NH2-OG 3.2Å; R810-S900 VanDerWaalsContact NH2-OG 3.15Å |
| 811 | V | 93.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.5 | -175.1 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | V780 L791 I809 L832 F839 E841 V842 N843 | V780-V811 CarbonylContact O-C 3.53Å; V780-V811 WeakPolarHBondContact O-CA 3.49Å; L791-V811 HydrophobicContact CD1-CG2 4.38Å; I809-V811 HydrophobicContact CG2-CG2 3.92Å; V811-L832 HydrophobicContact CB-CD1 4.04Å; V811-L832 HydrophobicContact CG1-CD1 4.24Å; V811-L832 HydrophobicContact CG2-CD1 3.77Å; V811-L832 HydrophobicContact CG2-CD2 4.45Å; V811-F839 HydrophobicContact CG2-CB 4.41Å; V811-E841 PolarHBondContact N-O 3.43Å; V811-V842 CarbonylContact O-C 3.5Å; V811-V842 WeakPolarHBondContact O-CA 3.19Å; V811-N843 PolarHBondContact O-N 3.29Å |
| 812 | F | 92.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.2 | 178.3 | -61.7 | -92.5 | 0 | 0 | 0 | 110.3 | D779 V780 Y781 W782 R810 N843 I845 F892 N896 | D779-F812 HydrophobicContact CB-CD2 4.32Å; D779-F812 HydrophobicContact CB-CE2 3.85Å; V780-F812 PolarHBondContact O-N 3.4Å; Y781-F812 HydrophobicContact CD1-CB 3.6Å; Y781-F812 HydrophobicContact CD1-CD2 4.43Å; Y781-F812 HydrophobicContact CD1-CG 4.08Å; Y781-F812 HydrophobicContact CD2-CD2 4.26Å; Y781-F812 HydrophobicContact CE1-CB 3.74Å; Y781-F812 HydrophobicContact CE1-CD1 4.15Å; Y781-F812 HydrophobicContact CE1-CD2 4.1Å; Y781-F812 AromaticContact CE1-CG 3.74Å; Y781-F812 HydrophobicContact CE1-CG 3.74Å; Y781-F812 AromaticContact CE2-CD2 3.92Å; Y781-F812 HydrophobicContact CE2-CD2 3.92Å; Y781-F812 HydrophobicContact CE2-CE2 4.28Å; Y781-F812 HydrophobicContact CE2-CG 4.41Å; Y781-F812 HydrophobicContact CG-CB 4.1Å; Y781-F812 AromaticContact CZ-CD2 3.83Å; Y781-F812 AromaticContact CZ-CG 3.91Å; W782-F812 PolarHBondContact N-O 3.4Å; R810-F812 HydrophobicContact CB-CE2 3.89Å; R810-F812 HydrophobicContact CB-CZ 4.39Å; F812-N843 VanDerWaalsContact CA-O 3.26Å; F812-N843 WeakPolarHBondContact CA-O 3.45Å; F812-N843 HydrophobicContact CD1-CB 3.4Å; F812-N843 VanDerWaalsContact CD1-CB 3.4Å; F812-N843 HydrophobicContact CE1-CB 3.52Å; F812-N843 WeakPolarHBondContact CE1-ND2 3.29Å; F812-N843 HydrophobicContact CG-CB 4.3Å; F812-N843 HydrophobicContact CZ-CB 4.46Å; F812-N843 WeakPolarHBondContact CZ-ND2 3.31Å; F812-I845 HydrophobicContact CB-CD1 4.47Å; F812-F892 AromaticContact CD1-CE1 3.5Å; F812-F892 HydrophobicContact CD1-CE1 3.5Å; F812-F892 VanDerWaalsContact CD1-CE1 3.5Å; F812-F892 HydrophobicContact CD1-CZ 4.15Å; F812-F892 AromaticContact CE1-CE1 3.72Å; F812-F892 HydrophobicContact CE1-CE1 3.72Å; F812-F892 HydrophobicContact CE1-CZ 4.28Å; F812-N896 HydrophobicContact CE1-CB 4.24Å; F812-N896 HydrophobicContact CZ-CB 4.3Å |
| 813 | T | 88.6 | Confident | 84.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 167.7 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | M828 N843 V844 I845 | T813-M828 HydrophobicContact CG2-CB 4.46Å; T813-M828 HydrophobicContact CG2-CE 4.18Å; T813-M828 HydrophobicContact CG2-CG 4.33Å; T813-N843 PolarHBondContact N-O 3.06Å; T813-V844 HydrophobicContact CG2-CB 4.37Å; T813-V844 HydrophobicContact CG2-CG1 4.34Å; T813-V844 HydrophobicContact CG2-CG2 3.78Å; T813-V844 CarbonylContact O-C 3.51Å; T813-V844 WeakPolarHBondContact O-CA 3.34Å; T813-I845 PolarHBondContact O-N 3.1Å |
| 814 | I | 85.1 | Confident | 84.7 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.087 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.7 | -178.9 | -59.1 | 170.6 | 0 | 0 | 0 | 110.5 | L7 L783 I848 | L7-I814 HydrophobicContact CD2-CB 3.97Å; L783-I814 HydrophobicContact CB-CD1 3.87Å; L783-I814 HydrophobicContact CB-CG1 4.49Å; L783-I814 HydrophobicContact CD2-CD1 3.9Å; L783-I814 HydrophobicContact CD2-CG1 3.83Å; L783-I814 HydrophobicContact CG-CD1 4.33Å; I814-I848 HydrophobicContact CD1-CD1 3.94Å; I814-I848 HydrophobicContact CG1-CD1 4.47Å |
| 815 | A | 80.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | trans | -81.2 | 141.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S817 I821 V844 I845 | A815-S817 VanDerWaalsContact C-N 3.32Å; A815-S817 WeakPolarHBondContact CB-O 3.32Å; A815-S817 PolarHBondContact O-N 3.37Å; A815-I821 HydrophobicContact CB-CG1 3.92Å; A815-V844 HydrophobicContact CB-CG1 3.65Å; A815-I845 PolarHBondContact N-O 3.1Å | ||
| 816 | K | 75.9 | Confident | 84.8 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -63.9 | -36.1 | 173.4 | -70.1 | -176.6 | 179.4 | 176.6 | 0 | 112.8 | L7 K847 | L7-K816 HydrophobicContact CD1-CD 4.43Å; L7-K816 HydrophobicContact CD1-CG 3.45Å; L7-K816 VanDerWaalsContact CD1-CG 3.45Å; K816-K847 WeakPolarHBondContact O-CD 3.38Å; K816-K847 PolarHBondContact O-NZ 3.41Å |
| 817 | S | 74.8 | Confident | 84.8 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -148.3 | 155.7 | 175.9 | 62.4 | 0 | 0 | 0 | 0 | 109.4 | A815 E819 Q820 | A815-S817 VanDerWaalsContact C-N 3.32Å; A815-S817 WeakPolarHBondContact CB-O 3.32Å; A815-S817 PolarHBondContact O-N 3.37Å; S817-E819 PolarHBondContact O-N 2.86Å; S817-Q820 PolarHBondContact O-N 3.24Å; S817-Q820 VanDerWaalsContact O-N 3.08Å; S817-Q820 WeakPolarHBondContact OG-CG 3.43Å |
| 818 | S | 74.3 | Confident | 84.7 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -61.7 | -24.8 | 178.5 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | Q820 I821 | S818-Q820 VanDerWaalsContact C-N 3.33Å; S818-I821 VanDerWaalsContact O-CD1 3.27Å; S818-I821 WeakPolarHBondContact O-CD1 3.25Å; S818-I821 VanDerWaalsContact O-CG1 3.3Å; S818-I821 WeakPolarHBondContact O-CG1 3.47Å |
| 819 | E | 75.2 | Confident | 84.6 | Confident | 187 Ų | 187 | 50.3 Ų | 50.3 | 87% | 0.874 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -74.6 | -20.7 | 176.9 | -64.9 | 172.6 | -178.5 | 0 | 0 | 113.2 | S817 | S817-E819 PolarHBondContact O-N 2.86Š|
| 820 | Q | 77.3 | Confident | 84.3 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -99.4 | 10.1 | -174.2 | -71.4 | 179.8 | 0.9 | 0 | 0 | 114 | S817 S818 G822 Q823 Q824 | S817-Q820 PolarHBondContact O-N 3.24Å; S817-Q820 VanDerWaalsContact O-N 3.08Å; S817-Q820 WeakPolarHBondContact OG-CG 3.43Å; S818-Q820 VanDerWaalsContact C-N 3.33Å; Q820-G822 PolarHBondContact O-N 2.86Å; Q820-Q823 PolarHBondContact O-N 2.53Å; Q820-Q824 HydrophobicContact CB-CG 4.45Å; Q820-Q824 VanDerWaalsContact O-CG 3.3Å; Q820-Q824 WeakPolarHBondContact O-CG 3.47Å; Q820-Q824 PolarHBondContact O-N 3.19Å |
| 821 | I | 80.8 | Confident | 84 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.2 | -53.8 | -174.4 | -66.9 | 171.9 | 0 | 0 | 0 | 111.4 | A815 S818 Q823 Q824 E825 V844 P846 | A815-I821 HydrophobicContact CB-CG1 3.92Å; S818-I821 VanDerWaalsContact O-CD1 3.27Å; S818-I821 WeakPolarHBondContact O-CD1 3.25Å; S818-I821 VanDerWaalsContact O-CG1 3.3Å; S818-I821 WeakPolarHBondContact O-CG1 3.47Å; I821-Q823 VanDerWaalsContact C-N 3.34Å; I821-Q823 PolarHBondContact O-N 2.96Å; I821-Q824 PolarHBondContact O-N 3.04Å; I821-E825 PolarHBondContact O-N 2.95Å; I821-V844 HydrophobicContact CG2-CB 4Å; I821-V844 HydrophobicContact CG2-CG1 4.21Å; I821-P846 HydrophobicContact CD1-CB 4.11Å |
| 822 | G | 83 | Confident | 83.8 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.7 | -33.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q820 T826 | Q820-G822 PolarHBondContact O-N 2.86Å; G822-T826 PolarHBondContact O-N 2.85Å; G822-T826 VanDerWaalsContact O-N 3.09Å; G822-T826 PolarHBondContact O-OG1 3.4Å |
| 823 | Q | 84 | Confident | 83.5 | Confident | 134 Ų | 134 | 54.3 Ų | 54.3 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.5 | -41.3 | 174.8 | -170.7 | -177.8 | 12.7 | 0 | 0 | 111.3 | Q820 I821 S827 | Q820-Q823 PolarHBondContact O-N 2.53Å; I821-Q823 VanDerWaalsContact C-N 3.34Å; I821-Q823 PolarHBondContact O-N 2.96Å; Q823-S827 VanDerWaalsContact O-CB 3.27Å; Q823-S827 WeakPolarHBondContact O-CB 3.33Å; Q823-S827 PolarHBondContact O-N 3.2Å |
| 824 | Q | 84.5 | Confident | 83.4 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 177.4 | -68.1 | -61.5 | -15.9 | 0 | 0 | 112 | Q820 I821 S827 M828 V844 | Q820-Q824 HydrophobicContact CB-CG 4.45Å; Q820-Q824 VanDerWaalsContact O-CG 3.3Å; Q820-Q824 WeakPolarHBondContact O-CG 3.47Å; Q820-Q824 PolarHBondContact O-N 3.19Å; I821-Q824 PolarHBondContact O-N 3.04Å; Q824-S827 PolarHBondContact O-N 2.76Å; Q824-M828 VanDerWaalsContact O-CB 3.27Å; Q824-M828 WeakPolarHBondContact O-CB 3.41Å; Q824-M828 PolarHBondContact O-N 3.48Å; Q824-V844 HydrophobicContact CB-CG1 4.23Å; Q824-V844 HydrophobicContact CB-CG2 4.47Å |
| 825 | E | 87.7 | Confident | 83.4 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 175.3 | -168.8 | -177.3 | 160.9 | 0 | 0 | 111 | I821 S827 M828 A829 V842 V844 | I821-E825 PolarHBondContact O-N 2.95Å; E825-S827 PolarHBondContact O-N 3.01Å; E825-M828 PolarHBondContact O-N 3.46Å; E825-A829 WeakPolarHBondContact O-CB 3.49Å; E825-A829 PolarHBondContact O-N 3.22Å; E825-V842 HydrophobicContact CG-CB 4.35Å; E825-V842 HydrophobicContact CG-CG1 4.29Å; E825-V844 HydrophobicContact CB-CG2 3.68Å; E825-V844 HydrophobicContact CG-CG2 4.23Å |
| 826 | T | 88.3 | Confident | 83.7 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | G822 A830 | G822-T826 PolarHBondContact O-N 2.85Å; G822-T826 VanDerWaalsContact O-N 3.09Å; G822-T826 PolarHBondContact O-OG1 3.4Å; T826-A830 WeakPolarHBondContact O-CB 3.47Å; T826-A830 PolarHBondContact O-N 3.35Å |
| 827 | S | 87 | Confident | 84.1 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 112 | Q823 Q824 E825 A830 L831 | Q823-S827 VanDerWaalsContact O-CB 3.27Å; Q823-S827 WeakPolarHBondContact O-CB 3.33Å; Q823-S827 PolarHBondContact O-N 3.2Å; Q824-S827 PolarHBondContact O-N 2.76Å; E825-S827 PolarHBondContact O-N 3.01Å; S827-A830 PolarHBondContact O-N 3.12Å; S827-L831 PolarHBondContact O-N 3.17Å |
| 828 | M | 87.7 | Confident | 84.6 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | 177.8 | -177.9 | 60.2 | 69.3 | 0 | 0 | 111.6 | P8 W782 T813 Q824 E825 A830 L831 L832 V842 | P8-M828 HydrophobicContact CB-CE 3.94Å; P8-M828 HydrophobicContact CG-CE 4.22Å; W782-M828 HydrophobicContact CE3-CE 3.88Å; W782-M828 HydrophobicContact CE3-SD 3.76Å; W782-M828 HydrophobicContact CZ3-CE 4.13Å; W782-M828 HydrophobicContact CZ3-SD 3.76Å; T813-M828 HydrophobicContact CG2-CB 4.46Å; T813-M828 HydrophobicContact CG2-CE 4.18Å; T813-M828 HydrophobicContact CG2-CG 4.33Å; Q824-M828 VanDerWaalsContact O-CB 3.27Å; Q824-M828 WeakPolarHBondContact O-CB 3.41Å; Q824-M828 PolarHBondContact O-N 3.48Å; E825-M828 PolarHBondContact O-N 3.46Å; M828-A830 VanDerWaalsContact C-N 3.29Å; M828-A830 PolarHBondContact O-N 2.91Å; M828-L831 WeakPolarHBondContact O-CB 3.41Å; M828-L831 PolarHBondContact O-N 3.32Å; M828-L831 VanDerWaalsContact O-N 3.13Å; M828-L831 HydrophobicContact SD-CD2 4.38Å; M828-L832 HydrophobicContact CG-CD1 4.23Å; M828-L832 HydrophobicContact CG-CG 4.46Å; M828-L832 WeakPolarHBondContact O-CG 3.08Å; M828-L832 PolarHBondContact O-N 3.38Å; M828-L832 HydrophobicContact SD-CG 4.31Å; M828-V842 HydrophobicContact CB-CG1 3.94Å; M828-V842 HydrophobicContact CG-CG1 3.7Å |
| 829 | A | 88.8 | Confident | 85.3 | Confident | 28 Ų | 28 | 67 Ų | 67 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E825 L832 S833 F839 V842 | E825-A829 WeakPolarHBondContact O-CB 3.49Å; E825-A829 PolarHBondContact O-N 3.22Å; A829-L832 PolarHBondContact O-N 3.28Å; A829-S833 VanDerWaalsContact O-CB 3.28Å; A829-S833 WeakPolarHBondContact O-CB 3.41Å; A829-S833 PolarHBondContact O-N 3.09Å; A829-F839 HydrophobicContact CB-CE2 4.41Å; A829-F839 HydrophobicContact CB-CZ 3.99Å; A829-V842 HydrophobicContact CB-CG2 4.36Å |
| 830 | A | 87.5 | Confident | 85.9 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 37% | 0.372 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T826 S827 M828 K834 | T826-A830 WeakPolarHBondContact O-CB 3.47Å; T826-A830 PolarHBondContact O-N 3.35Å; S827-A830 PolarHBondContact O-N 3.12Å; M828-A830 VanDerWaalsContact C-N 3.29Å; M828-A830 PolarHBondContact O-N 2.91Å; A830-K834 WeakPolarHBondContact O-CG 3.38Å; A830-K834 PolarHBondContact O-N 2.92Å; A830-K834 VanDerWaalsContact O-N 3.07Å |
| 831 | L | 86.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 175.9 | -177.5 | 62.3 | 0 | 0 | 0 | 111.7 | I10 Y13 W782 S827 M828 S833 K834 F835 F947 | I10-L831 HydrophobicContact CB-CD1 4.2Å; I10-L831 HydrophobicContact CG1-CD1 4.05Å; Y13-L831 HydrophobicContact CD2-CD1 4.34Å; W782-L831 HydrophobicContact CH2-CD2 3.92Å; W782-L831 HydrophobicContact CZ3-CD2 3.87Å; S827-L831 PolarHBondContact O-N 3.17Å; M828-L831 WeakPolarHBondContact O-CB 3.41Å; M828-L831 PolarHBondContact O-N 3.32Å; M828-L831 VanDerWaalsContact O-N 3.13Å; M828-L831 HydrophobicContact SD-CD2 4.38Å; L831-S833 PolarHBondContact O-N 2.92Å; L831-K834 WeakPolarHBondContact O-CB 3.47Å; L831-K834 PolarHBondContact O-N 3.16Å; L831-F835 HydrophobicContact CD1-CD2 4.29Å; L831-F835 HydrophobicContact CD1-CE1 4.37Å; L831-F835 HydrophobicContact CD1-CE2 3.58Å; L831-F835 HydrophobicContact CD1-CZ 3.62Å; L831-F835 HydrophobicContact CD2-CE2 4.1Å; L831-F835 HydrophobicContact CG-CD2 4.08Å; L831-F835 HydrophobicContact CG-CE2 3.57Å; L831-F835 HydrophobicContact CG-CZ 4.15Å; L831-F835 WeakPolarHBondContact O-CD2 3.46Å; L831-F835 PolarHBondContact O-N 2.98Å; L831-F947 HydrophobicContact CD1-CE1 4.4Å |
| 832 | L | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 178.6 | -66.9 | 175.1 | 0 | 0 | 0 | 112.2 | L791 V811 M828 A829 K834 F835 R836 V837 F839 V842 | L791-L832 HydrophobicContact CD1-CD2 3.62Å; L791-L832 HydrophobicContact CD2-CD2 3.41Å; L791-L832 VanDerWaalsContact CD2-CD2 3.41Å; L791-L832 HydrophobicContact CG-CD2 4.16Å; V811-L832 HydrophobicContact CB-CD1 4.04Å; V811-L832 HydrophobicContact CG1-CD1 4.24Å; V811-L832 HydrophobicContact CG2-CD1 3.77Å; V811-L832 HydrophobicContact CG2-CD2 4.45Å; M828-L832 HydrophobicContact CG-CD1 4.23Å; M828-L832 HydrophobicContact CG-CG 4.46Å; M828-L832 WeakPolarHBondContact O-CG 3.08Å; M828-L832 PolarHBondContact O-N 3.38Å; M828-L832 HydrophobicContact SD-CG 4.31Å; A829-L832 PolarHBondContact O-N 3.28Å; L832-K834 VanDerWaalsContact C-N 3.34Å; L832-K834 PolarHBondContact O-N 3.5Å; L832-F835 CarbonylContact O-C 3.59Å; L832-F835 PolarHBondContact O-N 3.35Å; L832-R836 PolarHBondContact O-N 3.4Å; L832-R836 VanDerWaalsContact O-N 3.09Å; L832-V837 PolarHBondContact O-N 3.49Å; L832-F839 HydrophobicContact CB-CD1 3.53Å; L832-F839 HydrophobicContact CB-CE1 3.51Å; L832-F839 HydrophobicContact CB-CZ 4.48Å; L832-F839 HydrophobicContact CD1-CB 4.29Å; L832-F839 HydrophobicContact CD1-CD1 3.71Å; L832-F839 HydrophobicContact CD1-CD2 4.42Å; L832-F839 HydrophobicContact CD1-CE1 4.12Å; L832-F839 HydrophobicContact CD1-CG 3.89Å; L832-F839 HydrophobicContact CG-CD1 4.25Å; L832-F839 HydrophobicContact CG-CE1 4.48Å; L832-V842 HydrophobicContact CD1-CG2 3.68Å |
| 833 | S | 87.2 | Confident | 87.3 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | A829 L831 F835 R836 | A829-S833 VanDerWaalsContact O-CB 3.28Å; A829-S833 WeakPolarHBondContact O-CB 3.41Å; A829-S833 PolarHBondContact O-N 3.09Å; L831-S833 PolarHBondContact O-N 2.92Å; S833-F835 VanDerWaalsContact C-N 3.34Å; S833-F835 PolarHBondContact O-N 3Å; S833-R836 WeakPolarHBondContact O-CA 3.16Å; S833-R836 PolarHBondContact O-N 3.29Å |
| 834 | K | 85.9 | Confident | 87.3 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 174.9 | -76.3 | -179.1 | -178.8 | -171.4 | 0 | 113.2 | I10 A830 L831 L832 R836 F947 | I10-K834 HydrophobicContact CD1-CD 3.81Å; A830-K834 WeakPolarHBondContact O-CG 3.38Å; A830-K834 PolarHBondContact O-N 2.92Å; A830-K834 VanDerWaalsContact O-N 3.07Å; L831-K834 WeakPolarHBondContact O-CB 3.47Å; L831-K834 PolarHBondContact O-N 3.16Å; L832-K834 VanDerWaalsContact C-N 3.34Å; L832-K834 PolarHBondContact O-N 3.5Å; K834-R836 PolarHBondContact O-N 3.36Å; K834-F947 HydrophobicContact CB-CB 3.91Å; K834-F947 HydrophobicContact CB-CD1 4.25Å; K834-F947 HydrophobicContact CB-CG 4.15Å; K834-F947 HydrophobicContact CD-CG 4.41Å |
| 835 | F | 85.5 | Confident | 87.2 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -6.3 | 172 | -65.7 | -36.8 | 0 | 0 | 0 | 114 | Y13 W782 L791 L831 L832 S833 V837 L945 F947 | Y13-F835 HydrophobicContact CD1-CE1 4.24Å; Y13-F835 AromaticContact CD1-CZ 3.67Å; Y13-F835 HydrophobicContact CD1-CZ 3.67Å; Y13-F835 AromaticContact CD2-CZ 3.89Å; Y13-F835 HydrophobicContact CD2-CZ 3.89Å; Y13-F835 HydrophobicContact CE1-CZ 4.03Å; Y13-F835 HydrophobicContact CE2-CZ 4.29Å; Y13-F835 HydrophobicContact CG-CE1 4.25Å; Y13-F835 AromaticContact CG-CZ 3.58Å; Y13-F835 HydrophobicContact CG-CZ 3.58Å; W782-F835 HydrophobicContact CH2-CE2 4.41Å; L791-F835 HydrophobicContact CD2-CD2 3.89Å; L791-F835 HydrophobicContact CD2-CE2 4.42Å; L831-F835 HydrophobicContact CD1-CD2 4.29Å; L831-F835 HydrophobicContact CD1-CE1 4.37Å; L831-F835 HydrophobicContact CD1-CE2 3.58Å; L831-F835 HydrophobicContact CD1-CZ 3.62Å; L831-F835 HydrophobicContact CD2-CE2 4.1Å; L831-F835 HydrophobicContact CG-CD2 4.08Å; L831-F835 HydrophobicContact CG-CE2 3.57Å; L831-F835 HydrophobicContact CG-CZ 4.15Å; L831-F835 WeakPolarHBondContact O-CD2 3.46Å; L831-F835 PolarHBondContact O-N 2.98Å; L832-F835 CarbonylContact O-C 3.59Å; L832-F835 PolarHBondContact O-N 3.35Å; S833-F835 VanDerWaalsContact C-N 3.34Å; S833-F835 PolarHBondContact O-N 3Å; F835-V837 HydrophobicContact CB-CG2 3.97Å; F835-V837 PolarHBondContact O-N 2.96Å; F835-L945 HydrophobicContact CD1-CB 4.07Å; F835-L945 HydrophobicContact CD2-CD1 4.26Å; F835-L945 HydrophobicContact CE1-CB 3.91Å; F835-L945 HydrophobicContact CE2-CB 4.48Å; F835-L945 HydrophobicContact CG-CB 4.44Å; F835-L945 HydrophobicContact CG-CD1 4.44Å; F835-L945 HydrophobicContact CZ-CB 4.13Å; F835-F947 HydrophobicContact CD1-CB 4.39Å; F835-F947 HydrophobicContact CD1-CD1 4.27Å; F835-F947 AromaticContact CE1-CD1 3.77Å; F835-F947 HydrophobicContact CE1-CD1 3.77Å; F835-F947 HydrophobicContact CZ-CD1 4.49Å |
| 836 | R | 86.8 | Confident | 86.5 | Confident | 220 Ų | 220 | 51.7 Ų | 51.7 | 83% | 0.83 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 31.2 | -175.3 | -55 | -179.3 | 177 | -180 | -1 | 113 | L832 S833 K834 | L832-R836 PolarHBondContact O-N 3.4Å; L832-R836 VanDerWaalsContact O-N 3.09Å; S833-R836 WeakPolarHBondContact O-CA 3.16Å; S833-R836 PolarHBondContact O-N 3.29Å; K834-R836 PolarHBondContact O-N 3.36Å |
| 837 | V | 84.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | trans | -86 | 115.2 | 172.7 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | L791 H795 I809 L832 F835 F839 | L791-V837 HydrophobicContact CD1-CG1 4.28Å; L791-V837 HydrophobicContact CD2-CG2 4.2Å; L791-V837 HydrophobicContact CG-CG2 4.39Å; H795-V837 HydrophobicContact CB-CG1 4.22Å; H795-V837 HydrophobicContact CB-CG2 4.38Å; I809-V837 HydrophobicContact CD1-CG1 4.24Å; L832-V837 PolarHBondContact O-N 3.49Å; F835-V837 HydrophobicContact CB-CG2 3.97Å; F835-V837 PolarHBondContact O-N 2.96Å; V837-F839 WeakPolarHBondContact O-CD1 3.46Å; V837-F839 PolarHBondContact O-N 3.03Å | ||
| 838 | S | 85.3 | Confident | 84.4 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | trans | -67.5 | 116.9 | 174 | -55.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 839 | F | 88.1 | Confident | 83.3 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 30% | 0.303 | 30% | 0.301 | S | S | . | . | trans | -118.8 | 152.3 | 174.4 | 61.8 | -88.2 | 0 | 0 | 0 | 109.7 | I809 V811 A829 L832 V837 V842 | I809-F839 CarbonylContact O-C 3.57Å; I809-F839 WeakPolarHBondContact O-CA 3.4Å; V811-F839 HydrophobicContact CG2-CB 4.41Å; A829-F839 HydrophobicContact CB-CE2 4.41Å; A829-F839 HydrophobicContact CB-CZ 3.99Å; L832-F839 HydrophobicContact CB-CD1 3.53Å; L832-F839 HydrophobicContact CB-CE1 3.51Å; L832-F839 HydrophobicContact CB-CZ 4.48Å; L832-F839 HydrophobicContact CD1-CB 4.29Å; L832-F839 HydrophobicContact CD1-CD1 3.71Å; L832-F839 HydrophobicContact CD1-CD2 4.42Å; L832-F839 HydrophobicContact CD1-CE1 4.12Å; L832-F839 HydrophobicContact CD1-CG 3.89Å; L832-F839 HydrophobicContact CG-CD1 4.25Å; L832-F839 HydrophobicContact CG-CE1 4.48Å; V837-F839 WeakPolarHBondContact O-CD1 3.46Å; V837-F839 PolarHBondContact O-N 3.03Å; F839-V842 HydrophobicContact CD2-CG2 3.71Å; F839-V842 HydrophobicContact CE2-CG2 3.69Å; F839-V842 HydrophobicContact CG-CG2 4.41Å; F839-V842 HydrophobicContact CZ-CG2 4.37Å | ||
| 840 | S | 88.8 | Confident | 82.8 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -90.1 | -38.3 | 174.4 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | I809 R810 | I809-S840 PolarHBondContact O-N 3.43Å; I809-S840 PolarHBondContact O-OG 3.01Å; I809-S840 VanDerWaalsContact O-OG 3.1Å; R810-S840 WeakPolarHBondContact CG-OG 3.22Å |
| 841 | E | 89.8 | Confident | 82.6 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 154.5 | -179.8 | 59.4 | -175.1 | -144.7 | 0 | 0 | 111.1 | R810 V811 N843 | R810-E841 HydrophobicContact CB-CG 3.93Å; R810-E841 VanDerWaalsContact CD-OE1 3.26Å; R810-E841 WeakPolarHBondContact CD-OE1 2.63Å; R810-E841 HydrophobicContact CG-CG 3.82Å; R810-E841 IonicContact NH1-OE1 2.65Å; V811-E841 PolarHBondContact N-O 3.43Å; E841-N843 PolarHBondContact OE1-ND2 2.69Å |
| 842 | V | 89.9 | Confident | 82.6 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.6 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | V811 E825 M828 A829 L832 F839 | V811-V842 CarbonylContact O-C 3.5Å; V811-V842 WeakPolarHBondContact O-CA 3.19Å; E825-V842 HydrophobicContact CG-CB 4.35Å; E825-V842 HydrophobicContact CG-CG1 4.29Å; M828-V842 HydrophobicContact CB-CG1 3.94Å; M828-V842 HydrophobicContact CG-CG1 3.7Å; A829-V842 HydrophobicContact CB-CG2 4.36Å; L832-V842 HydrophobicContact CD1-CG2 3.68Å; F839-V842 HydrophobicContact CD2-CG2 3.71Å; F839-V842 HydrophobicContact CE2-CG2 3.69Å; F839-V842 HydrophobicContact CG-CG2 4.41Å; F839-V842 HydrophobicContact CZ-CG2 4.37Å |
| 843 | N | 88.9 | Confident | 82.6 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.9 | -178.1 | -67.2 | -30.6 | 0 | 0 | 0 | 109.4 | V811 F812 T813 E841 | V811-N843 PolarHBondContact O-N 3.29Å; F812-N843 VanDerWaalsContact CA-O 3.26Å; F812-N843 WeakPolarHBondContact CA-O 3.45Å; F812-N843 HydrophobicContact CD1-CB 3.4Å; F812-N843 VanDerWaalsContact CD1-CB 3.4Å; F812-N843 HydrophobicContact CE1-CB 3.52Å; F812-N843 WeakPolarHBondContact CE1-ND2 3.29Å; F812-N843 HydrophobicContact CG-CB 4.3Å; F812-N843 HydrophobicContact CZ-CB 4.46Å; F812-N843 WeakPolarHBondContact CZ-ND2 3.31Å; T813-N843 PolarHBondContact N-O 3.06Å; E841-N843 PolarHBondContact OE1-ND2 2.69Å |
| 844 | V | 84.5 | Confident | 82.7 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.2 | -178.8 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | T813 A815 I821 Q824 E825 | T813-V844 HydrophobicContact CG2-CB 4.37Å; T813-V844 HydrophobicContact CG2-CG1 4.34Å; T813-V844 HydrophobicContact CG2-CG2 3.78Å; T813-V844 CarbonylContact O-C 3.51Å; T813-V844 WeakPolarHBondContact O-CA 3.34Å; A815-V844 HydrophobicContact CB-CG1 3.65Å; I821-V844 HydrophobicContact CG2-CB 4Å; I821-V844 HydrophobicContact CG2-CG1 4.21Å; Q824-V844 HydrophobicContact CB-CG1 4.23Å; Q824-V844 HydrophobicContact CB-CG2 4.47Å; E825-V844 HydrophobicContact CB-CG2 3.68Å; E825-V844 HydrophobicContact CG-CG2 4.23Å |
| 845 | I | 82 | Confident | 82.8 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.5 | 177.5 | -52.4 | 176.5 | 0 | 0 | 0 | 108.3 | Y781 L783 F812 T813 A815 I848 F892 | Y781-I845 HydrophobicContact CD1-CD1 4.23Å; Y781-I845 HydrophobicContact CE1-CD1 4.17Å; L783-I845 HydrophobicContact CD2-CD1 4.34Å; F812-I845 HydrophobicContact CB-CD1 4.47Å; T813-I845 PolarHBondContact O-N 3.1Å; A815-I845 PolarHBondContact N-O 3.1Å; I845-I848 HydrophobicContact CG2-CG1 4.48Å; I845-F892 HydrophobicContact CD1-CD1 3.59Å; I845-F892 HydrophobicContact CD1-CE1 3.8Å; I845-F892 HydrophobicContact CD1-CG 3.99Å; I845-F892 HydrophobicContact CD1-CZ 4.37Å; I845-F892 HydrophobicContact CG1-CD1 3.89Å; I845-F892 HydrophobicContact CG1-CD2 4.24Å; I845-F892 HydrophobicContact CG1-CE1 3.67Å; I845-F892 HydrophobicContact CG1-CE2 4.03Å; I845-F892 HydrophobicContact CG1-CG 4.16Å; I845-F892 HydrophobicContact CG1-CZ 3.75Å; I845-F892 HydrophobicContact CG2-CD2 4.05Å; I845-F892 HydrophobicContact CG2-CE2 4.34Å; I845-F892 HydrophobicContact CG2-CG 4.31Å |
| 846 | P | 74.9 | Confident | 83 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -60 | 148.6 | 174.9 | 23.5 | -31.5 | 0 | 0 | 0 | 110.5 | I821 I848 | I821-P846 HydrophobicContact CD1-CB 4.11Å; P846-I848 PolarHBondContact O-N 3.27Å; P846-I848 VanDerWaalsContact O-N 3.11Å |
| 847 | K | 67.3 | Low | 83.2 | Confident | 112 Ų | 112 | 62.6 Ų | 62.6 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -47.6 | 121.4 | -172.7 | -170 | -172.7 | -165.2 | 161.8 | 0 | 111.1 | K816 I849 | K816-K847 WeakPolarHBondContact O-CD 3.38Å; K816-K847 PolarHBondContact O-NZ 3.41Å; K847-I849 HydrophobicContact CD-CG1 4.47Å; K847-I849 HydrophobicContact CG-CG1 4.45Å; K847-I849 PolarHBondContact O-N 3.32Å |
| 848 | I | 63.3 | Low | 83.4 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | trans | -68.8 | 101.5 | -179 | -60.3 | 164.3 | 0 | 0 | 0 | 109 | I814 I845 P846 R885 R888 T889 | I814-I848 HydrophobicContact CD1-CD1 3.94Å; I814-I848 HydrophobicContact CG1-CD1 4.47Å; I845-I848 HydrophobicContact CG2-CG1 4.48Å; P846-I848 PolarHBondContact O-N 3.27Å; P846-I848 VanDerWaalsContact O-N 3.11Å; I848-R885 HydrophobicContact CB-CG 4.34Å; I848-R885 HydrophobicContact CG2-CB 4.05Å; I848-R885 HydrophobicContact CG2-CG 3.82Å; I848-R888 HydrophobicContact CB-CG 4.32Å; I848-R888 HydrophobicContact CG1-CG 4.19Å; I848-R888 HydrophobicContact CG2-CB 3.48Å; I848-R888 VanDerWaalsContact CG2-CB 3.48Å; I848-R888 HydrophobicContact CG2-CG 3.6Å; I848-T889 WeakPolarHBondContact CD1-OG1 3.47Å | ||
| 849 | I | 63.5 | Low | 83.6 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 57% | 0.569 | 32% | 0.319 | S | S | * | . | trans | -100.6 | -58.5 | 177.2 | -57.2 | 174.4 | 0 | 0 | 0 | 109.8 | K847 | K847-I849 HydrophobicContact CD-CG1 4.47Å; K847-I849 HydrophobicContact CG-CG1 4.45Å; K847-I849 PolarHBondContact O-N 3.32Å | ||
| 850 | N | 79.1 | Confident | 83.6 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | trans | -139 | 135.1 | -177.1 | -61.2 | -33.6 | 0 | 0 | 0 | 111.9 | W884 | N850-W884 VanDerWaalsContact OD1-CZ3 3.26Å; N850-W884 WeakPolarHBondContact OD1-CZ3 3.3Å | ||
| 851 | P | 83.8 | Confident | 83.7 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 8% | 0.078 | 34% | 0.341 | C | S | . | . | trans | -70.2 | 165.3 | 169.5 | 26 | -29.5 | 0 | 0 | 0 | 112.2 | I856 W884 I887 R888 | P851-I856 HydrophobicContact CB-CG1 4.2Å; P851-I856 HydrophobicContact CG-CD1 3.91Å; P851-I856 HydrophobicContact CG-CG1 3.63Å; P851-W884 HydrophobicContact CG-CB 4.07Å; P851-W884 HydrophobicContact CG-CD2 4.41Å; P851-W884 HydrophobicContact CG-CG 3.96Å; P851-I887 HydrophobicContact CB-CB 4Å; P851-I887 HydrophobicContact CB-CG2 3.52Å; P851-I887 HydrophobicContact CG-CB 4.27Å; P851-I887 HydrophobicContact CG-CG2 4.14Å; P851-R888 HydrophobicContact CB-CB 4.32Å | ||
| 852 | S | 86.7 | Confident | 83.6 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | trans | -66.7 | 152.7 | 172.9 | 70.4 | 0 | 0 | 0 | 0 | 111 | E854 S855 I856 E891 | S852-E854 VanDerWaalsContact C-N 3.27Å; S852-E854 PolarHBondContact O-N 3.25Å; S852-S855 PolarHBondContact O-N 3.42Å; S852-S855 PolarHBondContact OG-N 3.01Å; S852-S855 PolarHBondContact OG-OG 3.46Å; S852-S855 VanDerWaalsContact OG-OG 3.04Å; S852-I856 WeakPolarHBondContact O-CG1 3.48Å; S852-I856 PolarHBondContact O-N 2.67Å; S852-I856 VanDerWaalsContact O-N 3.1Å; S852-E891 VanDerWaalsContact CB-OE1 3.25Å; S852-E891 WeakPolarHBondContact CB-OE1 3.34Å; S852-E891 PolarHBondContact N-OE1 3.23Å; S852-E891 PolarHBondContact OG-OE1 3.28Å | ||
| 853 | K | 87.9 | Confident | 83.5 | Confident | 173 Ų | 173 | 66.2 Ų | 66.2 | 75% | 0.752 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.9 | -41.2 | 177.6 | -69.3 | -175.4 | 178.3 | -178.5 | 0 | 111.5 | S855 I856 D857 | K853-S855 PolarHBondContact O-N 2.76Å; K853-I856 WeakPolarHBondContact O-CB 3.38Å; K853-I856 PolarHBondContact O-N 2.99Å; K853-I856 VanDerWaalsContact O-N 3.14Å; K853-D857 VanDerWaalsContact O-CG 3.23Å; K853-D857 PolarHBondContact O-N 3.19Å |
| 854 | E | 89.8 | Confident | 83.3 | Confident | 160 Ų | 160 | 71.8 Ų | 71.8 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56.9 | -47 | 177.9 | -64.9 | 174.7 | -172.2 | 0 | 0 | 112.2 | S852 I856 D857 E858 | S852-E854 VanDerWaalsContact C-N 3.27Å; S852-E854 PolarHBondContact O-N 3.25Å; E854-I856 VanDerWaalsContact C-N 3.34Å; E854-I856 PolarHBondContact O-N 3.49Å; E854-D857 PolarHBondContact O-N 3.39Å; E854-E858 WeakPolarHBondContact O-CB 3.34Å; E854-E858 PolarHBondContact O-N 3.44Å |
| 855 | S | 88.8 | Confident | 83.3 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.4 | -27 | 178.6 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | S852 K853 F859 I887 E891 | S852-S855 PolarHBondContact O-N 3.42Å; S852-S855 PolarHBondContact OG-N 3.01Å; S852-S855 PolarHBondContact OG-OG 3.46Å; S852-S855 VanDerWaalsContact OG-OG 3.04Å; K853-S855 PolarHBondContact O-N 2.76Å; S855-F859 VanDerWaalsContact O-CB 3.24Å; S855-F859 WeakPolarHBondContact O-CB 3.5Å; S855-F859 PolarHBondContact O-N 2.85Å; S855-I887 VanDerWaalsContact CB-CG2 3.43Å; S855-E891 WeakPolarHBondContact CB-OE1 3.48Å; S855-E891 VanDerWaalsContact OG-CD 3.3Å; S855-E891 VanDerWaalsContact OG-CG 3.24Å; S855-E891 WeakPolarHBondContact OG-CG 3.4Å; S855-E891 PolarHBondContact OG-OE1 3.31Å |
| 856 | I | 88.9 | Confident | 83.4 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.3 | -49.3 | 171 | -65.9 | 167.1 | 0 | 0 | 0 | 108.8 | P851 S852 K853 E854 E858 F859 E860 | P851-I856 HydrophobicContact CB-CG1 4.2Å; P851-I856 HydrophobicContact CG-CD1 3.91Å; P851-I856 HydrophobicContact CG-CG1 3.63Å; S852-I856 WeakPolarHBondContact O-CG1 3.48Å; S852-I856 PolarHBondContact O-N 2.67Å; S852-I856 VanDerWaalsContact O-N 3.1Å; K853-I856 WeakPolarHBondContact O-CB 3.38Å; K853-I856 PolarHBondContact O-N 2.99Å; K853-I856 VanDerWaalsContact O-N 3.14Å; E854-I856 VanDerWaalsContact C-N 3.34Å; E854-I856 PolarHBondContact O-N 3.49Å; I856-E858 VanDerWaalsContact C-N 3.34Å; I856-E858 PolarHBondContact O-N 3.01Å; I856-F859 PolarHBondContact O-N 3.36Å; I856-E860 HydrophobicContact CG2-CG 4.31Å; I856-E860 WeakPolarHBondContact O-CB 3.43Å; I856-E860 WeakPolarHBondContact O-CG 3.48Å; I856-E860 PolarHBondContact O-N 3.18Å |
| 857 | D | 90.5 | Very high | 83.7 | Confident | 83 Ų | 83 | 75.3 Ų | 75.3 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | -179.7 | -63.5 | -21 | 0 | 0 | 0 | 111.1 | K853 E854 E860 Q861 | K853-D857 VanDerWaalsContact O-CG 3.23Å; K853-D857 PolarHBondContact O-N 3.19Å; E854-D857 PolarHBondContact O-N 3.39Å; D857-E860 PolarHBondContact O-N 3.16Å; D857-Q861 WeakPolarHBondContact O-CB 3.28Å; D857-Q861 VanDerWaalsContact O-CG 3.24Å; D857-Q861 WeakPolarHBondContact O-CG 3.46Å; D857-Q861 PolarHBondContact O-N 3.28Å |
| 858 | E | 88.8 | Confident | 84 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 174.4 | -171.3 | -169.1 | 166.7 | 0 | 0 | 111.5 | E854 I856 Q861 F862 | E854-E858 WeakPolarHBondContact O-CB 3.34Å; E854-E858 PolarHBondContact O-N 3.44Å; I856-E858 VanDerWaalsContact C-N 3.34Å; I856-E858 PolarHBondContact O-N 3.01Å; E858-Q861 PolarHBondContact O-N 3.12Å; E858-F862 VanDerWaalsContact O-CB 3.32Å; E858-F862 WeakPolarHBondContact O-CB 3.39Å; E858-F862 PolarHBondContact O-N 3.39Å |
| 859 | F | 90 | Very high | 84.6 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 5% | 0.048 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 178.3 | 178.6 | -94.2 | 0 | 0 | 0 | 111.9 | S855 I856 F862 V863 L876 T883 I887 V922 L926 | S855-F859 VanDerWaalsContact O-CB 3.24Å; S855-F859 WeakPolarHBondContact O-CB 3.5Å; S855-F859 PolarHBondContact O-N 2.85Å; I856-F859 PolarHBondContact O-N 3.36Å; F859-F862 WeakPolarHBondContact O-CB 3.41Å; F859-F862 PolarHBondContact O-N 3.34Å; F859-V863 HydrophobicContact CD1-CG2 4.13Å; F859-V863 HydrophobicContact CD2-CG2 4.14Å; F859-V863 HydrophobicContact CE1-CB 4.42Å; F859-V863 HydrophobicContact CE1-CG2 3.67Å; F859-V863 HydrophobicContact CE2-CG2 3.69Å; F859-V863 HydrophobicContact CG-CG2 4.36Å; F859-V863 HydrophobicContact CZ-CG2 3.44Å; F859-V863 VanDerWaalsContact CZ-CG2 3.44Å; F859-V863 WeakPolarHBondContact O-CB 3.13Å; F859-V863 WeakPolarHBondContact O-CG2 3.25Å; F859-V863 PolarHBondContact O-N 3.12Å; F859-L876 HydrophobicContact CE1-CD1 4.06Å; F859-T883 HydrophobicContact CD1-CG2 4.18Å; F859-T883 HydrophobicContact CE1-CG2 3.38Å; F859-T883 HydrophobicContact CE2-CG2 4Å; F859-T883 HydrophobicContact CZ-CG2 3.26Å; F859-I887 HydrophobicContact CB-CD1 3.77Å; F859-I887 HydrophobicContact CB-CG1 4.24Å; F859-I887 HydrophobicContact CD1-CD1 3.84Å; F859-I887 HydrophobicContact CD2-CD1 4.1Å; F859-I887 HydrophobicContact CD2-CG1 4.08Å; F859-I887 HydrophobicContact CE1-CD1 4.48Å; F859-I887 HydrophobicContact CG-CD1 3.62Å; F859-I887 HydrophobicContact CG-CG1 4.08Å; F859-V922 HydrophobicContact CE2-CG1 3.56Å; F859-V922 HydrophobicContact CZ-CG1 3.85Å; F859-L926 HydrophobicContact CD2-CD1 3.99Å; F859-L926 HydrophobicContact CD2-CD2 4.07Å; F859-L926 HydrophobicContact CE2-CD2 4.04Å |
| 860 | E | 89 | Confident | 85.3 | Confident | 113 Ų | 113 | 75.6 Ų | 75.6 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.3 | -74.2 | -176.8 | -177.9 | 0 | 0 | 111.2 | I856 D857 F862 V863 K864 | I856-E860 HydrophobicContact CG2-CG 4.31Å; I856-E860 WeakPolarHBondContact O-CB 3.43Å; I856-E860 WeakPolarHBondContact O-CG 3.48Å; I856-E860 PolarHBondContact O-N 3.18Å; D857-E860 PolarHBondContact O-N 3.16Å; E860-F862 VanDerWaalsContact C-N 3.33Å; E860-F862 PolarHBondContact O-N 3.23Å; E860-V863 PolarHBondContact O-N 3.02Å; E860-K864 WeakPolarHBondContact O-CB 3.33Å; E860-K864 PolarHBondContact O-N 3.38Å |
| 861 | Q | 89.8 | Confident | 85.4 | Confident | 144 Ų | 144 | 70.9 Ų | 70.9 | 67% | 0.673 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 172.5 | -74 | 176.8 | 19.1 | 0 | 0 | 112.2 | D857 E858 | D857-Q861 WeakPolarHBondContact O-CB 3.28Å; D857-Q861 VanDerWaalsContact O-CG 3.24Å; D857-Q861 WeakPolarHBondContact O-CG 3.46Å; D857-Q861 PolarHBondContact O-N 3.28Å; E858-Q861 PolarHBondContact O-N 3.12Å |
| 862 | F | 87.7 | Confident | 85.4 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 178.8 | 176.9 | -106.7 | 0 | 0 | 0 | 112.9 | W665 Q666 E858 F859 E860 P865 F866 V922 D925 R929 | W665-F862 HydrophobicContact CZ2-CE1 4.37Å; W665-F862 HydrophobicContact CZ2-CZ 4.01Å; Q666-F862 VanDerWaalsContact NE2-CE2 3.32Å; E858-F862 VanDerWaalsContact O-CB 3.32Å; E858-F862 WeakPolarHBondContact O-CB 3.39Å; E858-F862 PolarHBondContact O-N 3.39Å; F859-F862 WeakPolarHBondContact O-CB 3.41Å; F859-F862 PolarHBondContact O-N 3.34Å; E860-F862 VanDerWaalsContact C-N 3.33Å; E860-F862 PolarHBondContact O-N 3.23Å; F862-P865 VanDerWaalsContact O-CD 3.22Å; F862-P865 WeakPolarHBondContact O-CD 3.45Å; F862-F866 HydrophobicContact CE1-CE2 4.31Å; F862-F866 HydrophobicContact CE2-CE2 4.34Å; F862-F866 HydrophobicContact CZ-CE2 4.13Å; F862-F866 WeakPolarHBondContact O-CD2 3.37Å; F862-F866 WeakPolarHBondContact O-CE2 3.38Å; F862-V922 HydrophobicContact CE1-CG1 4.27Å; F862-D925 WeakPolarHBondContact CZ-OD2 3.34Å; F862-R929 VanDerWaalsContact CD2-NH1 3.3Å |
| 863 | V | 87.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -81.2 | -26.3 | -176.5 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | F859 E860 P865 F866 V867 V922 | F859-V863 HydrophobicContact CD1-CG2 4.13Å; F859-V863 HydrophobicContact CD2-CG2 4.14Å; F859-V863 HydrophobicContact CE1-CB 4.42Å; F859-V863 HydrophobicContact CE1-CG2 3.67Å; F859-V863 HydrophobicContact CE2-CG2 3.69Å; F859-V863 HydrophobicContact CG-CG2 4.36Å; F859-V863 HydrophobicContact CZ-CG2 3.44Å; F859-V863 VanDerWaalsContact CZ-CG2 3.44Å; F859-V863 WeakPolarHBondContact O-CB 3.13Å; F859-V863 WeakPolarHBondContact O-CG2 3.25Å; F859-V863 PolarHBondContact O-N 3.12Å; E860-V863 PolarHBondContact O-N 3.02Å; V863-P865 VanDerWaalsContact C-N 3.32Å; V863-P865 WeakPolarHBondContact O-CD 3.35Å; V863-P865 VanDerWaalsContact O-N 3.1Å; V863-F866 WeakPolarHBondContact O-CA 3.33Å; V863-F866 WeakPolarHBondContact O-CB 3.43Å; V863-F866 PolarHBondContact O-N 2.92Å; V863-V867 HydrophobicContact CG1-CG2 3.78Å; V863-V867 WeakPolarHBondContact O-CG2 3.42Å; V863-V867 PolarHBondContact O-N 3.26Å; V863-V922 HydrophobicContact CG2-CG1 3.7Å |
| 864 | K | 86 | Confident | 84.9 | Confident | 163 Ų | 163 | 73.5 Ų | 73.5 | 71% | 0.709 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.6 | -43.3 | -179 | -170 | 176 | -176.8 | 178.3 | 0 | 115.3 | E860 F866 V867 | E860-K864 WeakPolarHBondContact O-CB 3.33Å; E860-K864 PolarHBondContact O-N 3.38Å; K864-F866 PolarHBondContact O-N 2.93Å; K864-V867 PolarHBondContact O-N 3.49Å |
| 865 | P | 84.3 | Confident | 84.4 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.5 | 178.5 | -18.5 | 33.7 | 0 | 0 | 0 | 114.2 | F862 V863 | F862-P865 VanDerWaalsContact O-CD 3.22Å; F862-P865 WeakPolarHBondContact O-CD 3.45Å; V863-P865 VanDerWaalsContact C-N 3.32Å; V863-P865 WeakPolarHBondContact O-CD 3.35Å; V863-P865 VanDerWaalsContact O-N 3.1Å |
| 866 | F | 83.9 | Confident | 84.2 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -17.2 | -176.9 | -49.7 | -60 | 0 | 0 | 0 | 112.5 | W665 Q666 F862 V863 K864 G868 N869 L870 V871 | W665-F866 HydrophobicContact CH2-CD1 4.3Å; W665-F866 HydrophobicContact CH2-CD2 4.03Å; W665-F866 HydrophobicContact CH2-CE1 4.12Å; W665-F866 AromaticContact CH2-CE2 3.85Å; W665-F866 HydrophobicContact CH2-CE2 3.85Å; W665-F866 HydrophobicContact CH2-CG 4.28Å; W665-F866 AromaticContact CH2-CZ 3.92Å; W665-F866 HydrophobicContact CH2-CZ 3.92Å; W665-F866 HydrophobicContact CZ2-CE2 4.35Å; W665-F866 HydrophobicContact CZ2-CZ 4.42Å; W665-F866 HydrophobicContact CZ3-CD1 4.2Å; W665-F866 HydrophobicContact CZ3-CE1 4.09Å; W665-F866 HydrophobicContact CZ3-CZ 4.32Å; Q666-F866 HydrophobicContact CB-CE1 4.06Å; Q666-F866 HydrophobicContact CB-CZ 3.92Å; Q666-F866 HydrophobicContact CG-CE1 4.16Å; Q666-F866 HydrophobicContact CG-CZ 3.6Å; F862-F866 HydrophobicContact CE1-CE2 4.31Å; F862-F866 HydrophobicContact CE2-CE2 4.34Å; F862-F866 HydrophobicContact CZ-CE2 4.13Å; F862-F866 WeakPolarHBondContact O-CD2 3.37Å; F862-F866 WeakPolarHBondContact O-CE2 3.38Å; V863-F866 WeakPolarHBondContact O-CA 3.33Å; V863-F866 WeakPolarHBondContact O-CB 3.43Å; V863-F866 PolarHBondContact O-N 2.92Å; K864-F866 PolarHBondContact O-N 2.93Å; F866-G868 PolarHBondContact O-N 3.42Å; F866-N869 PolarHBondContact O-N 2.85Å; F866-L870 HydrophobicContact CB-CB 4.36Å; F866-L870 HydrophobicContact CD1-CD1 4.1Å; F866-L870 PolarHBondContact O-N 2.96Å; F866-V871 HydrophobicContact CB-CG2 4.37Å; F866-V871 PolarHBondContact O-N 3.37Å; F866-V871 VanDerWaalsContact O-N 3.08Å |
| 867 | V | 80.4 | Confident | 84 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -65 | 122.1 | 175.2 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | V863 K864 V871 E873 | V863-V867 HydrophobicContact CG1-CG2 3.78Å; V863-V867 WeakPolarHBondContact O-CG2 3.42Å; V863-V867 PolarHBondContact O-N 3.26Å; K864-V867 PolarHBondContact O-N 3.49Å; V867-V871 CarbonylContact C-O 3.54Å; V867-V871 WeakPolarHBondContact CA-O 3.44Å; V867-E873 HydrophobicContact CG1-CG 3.64Å |
| 868 | G | 73.5 | Confident | 83.6 | Confident | 66 Ų | 66 | 73 Ų | 73 | 68% | 0.68 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100 | -23 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F866 V871 | F866-G868 PolarHBondContact O-N 3.42Å; G868-V871 PolarHBondContact N-O 2.84Å |
| 869 | N | 76.7 | Confident | 83.4 | Confident | 148 Ų | 148 | 69.2 Ų | 69.2 | 79% | 0.791 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -53 | 176.2 | -83.2 | -12.5 | 0 | 0 | 0 | 112.8 | F866 | F866-N869 PolarHBondContact O-N 2.85Š|
| 870 | L | 78.8 | Confident | 83.2 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -21.7 | -173.4 | -79.6 | 161.5 | 0 | 0 | 0 | 112.8 | W665 A670 I673 F866 G918 | W665-L870 HydrophobicContact CZ3-CD1 4.32Å; A670-L870 HydrophobicContact CB-CD2 3.9Å; I673-L870 HydrophobicContact CD1-CD1 3.9Å; I673-L870 HydrophobicContact CD1-CD2 4.18Å; F866-L870 HydrophobicContact CB-CB 4.36Å; F866-L870 HydrophobicContact CD1-CD1 4.1Å; F866-L870 PolarHBondContact O-N 2.96Å; L870-G918 WeakPolarHBondContact O-CA 3.49Å |
| 871 | V | 81.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -132.7 | 132 | -178.4 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | F866 V867 G868 L919 | F866-V871 HydrophobicContact CB-CG2 4.37Å; F866-V871 PolarHBondContact O-N 3.37Å; F866-V871 VanDerWaalsContact O-N 3.08Å; V867-V871 CarbonylContact C-O 3.54Å; V867-V871 WeakPolarHBondContact CA-O 3.44Å; G868-V871 PolarHBondContact N-O 2.84Å; V871-L919 HydrophobicContact CG1-CB 4.29Å; V871-L919 HydrophobicContact CG1-CD1 4.33Å; V871-L919 HydrophobicContact CG2-CB 4.34Å |
| 872 | T | 82.4 | Confident | 82.7 | Confident | 54 Ų | 54 | 67 Ų | 67 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | trans | -93.8 | 148.7 | 173.4 | 71.9 | 0 | 0 | 0 | 0 | 111.8 | T874 E875 L876 | T872-T874 PolarHBondContact O-N 3.23Å; T872-T874 PolarHBondContact OG1-OG1 3.11Å; T872-T874 VanDerWaalsContact OG1-OG1 3.1Å; T872-E875 WeakPolarHBondContact CB-OE1 3.45Å; T872-E875 VanDerWaalsContact CG2-OE1 3.28Å; T872-E875 WeakPolarHBondContact CG2-OE1 3.31Å; T872-E875 PolarHBondContact N-OE2 3.29Å; T872-E875 WeakPolarHBondContact O-CB 3.42Å; T872-E875 PolarHBondContact O-N 3.45Å; T872-E875 VanDerWaalsContact O-N 3.09Å; T872-E875 VanDerWaalsContact OG1-CG 3.25Å; T872-E875 WeakPolarHBondContact OG1-CG 3.2Å; T872-E875 PolarHBondContact OG1-N 3.24Å; T872-E875 PolarHBondContact OG1-OE1 3.42Å; T872-L876 PolarHBondContact O-N 2.89Å; T872-L876 VanDerWaalsContact O-N 3.15Å | ||
| 873 | E | 82.2 | Confident | 82.8 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.2 | -31.9 | 176 | -67.1 | -173.8 | 168.7 | 0 | 0 | 112 | V867 L876 A877 | V867-E873 HydrophobicContact CG1-CG 3.64Å; E873-L876 PolarHBondContact O-N 3.4Å; E873-A877 WeakPolarHBondContact O-CB 3.37Å; E873-A877 PolarHBondContact O-N 2.98Å |
| 874 | T | 82.3 | Confident | 82.9 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 177.3 | 76 | 0 | 0 | 0 | 0 | 112.9 | T872 R878 | T872-T874 PolarHBondContact O-N 3.23Å; T872-T874 PolarHBondContact OG1-OG1 3.11Å; T872-T874 VanDerWaalsContact OG1-OG1 3.1Å; T874-R878 WeakPolarHBondContact O-CB 3.2Å; T874-R878 WeakPolarHBondContact O-CG 2.96Å; T874-R878 PolarHBondContact O-N 3.42Å; T874-R878 PolarHBondContact O-NE 3.15Å; T874-R878 PolarHBondContact OG1-NH2 3.01Å |
| 875 | E | 80.4 | Confident | 82.9 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 174.3 | -75.7 | 149.1 | -140.9 | 0 | 0 | 110.5 | T872 A877 R878 E879 D916 L919 | T872-E875 WeakPolarHBondContact CB-OE1 3.45Å; T872-E875 VanDerWaalsContact CG2-OE1 3.28Å; T872-E875 WeakPolarHBondContact CG2-OE1 3.31Å; T872-E875 PolarHBondContact N-OE2 3.29Å; T872-E875 WeakPolarHBondContact O-CB 3.42Å; T872-E875 PolarHBondContact O-N 3.45Å; T872-E875 VanDerWaalsContact O-N 3.09Å; T872-E875 VanDerWaalsContact OG1-CG 3.25Å; T872-E875 WeakPolarHBondContact OG1-CG 3.2Å; T872-E875 PolarHBondContact OG1-N 3.24Å; T872-E875 PolarHBondContact OG1-OE1 3.42Å; E875-A877 VanDerWaalsContact C-N 3.27Å; E875-A877 PolarHBondContact O-N 3.38Å; E875-R878 PolarHBondContact O-N 3.4Å; E875-E879 PolarHBondContact O-N 2.73Å; E875-D916 VanDerWaalsContact CD-CB 3.48Å; E875-D916 HydrophobicContact CG-CB 4.5Å; E875-D916 WeakPolarHBondContact OE1-CB 3.4Å; E875-D916 WeakPolarHBondContact OE2-CB 3.35Å; E875-L919 HydrophobicContact CB-CD2 4.32Å |
| 876 | L | 83.3 | Confident | 83.1 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 179.5 | -166.4 | 70.2 | 0 | 0 | 0 | 111.4 | F859 T872 E873 K880 L919 | F859-L876 HydrophobicContact CE1-CD1 4.06Å; T872-L876 PolarHBondContact O-N 2.89Å; T872-L876 VanDerWaalsContact O-N 3.15Å; E873-L876 PolarHBondContact O-N 3.4Å; L876-K880 WeakPolarHBondContact O-CA 3.36Å; L876-K880 WeakPolarHBondContact O-CB 3.23Å; L876-K880 PolarHBondContact O-N 2.93Å; L876-K880 VanDerWaalsContact O-N 3.07Å; L876-L919 HydrophobicContact CD1-CD1 4.2Å |
| 877 | A | 84.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.9 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E873 E875 K880 | E873-A877 WeakPolarHBondContact O-CB 3.37Å; E873-A877 PolarHBondContact O-N 2.98Å; E875-A877 VanDerWaalsContact C-N 3.27Å; E875-A877 PolarHBondContact O-N 3.38Å; A877-K880 WeakPolarHBondContact O-CB 3.37Å |
| 878 | R | 82.7 | Confident | 83.8 | Confident | 151 Ų | 151 | 62.1 Ų | 62.1 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 179.2 | -85.8 | -176.7 | -89.5 | 176.4 | -7 | 112.4 | T874 E875 | T874-R878 WeakPolarHBondContact O-CB 3.2Å; T874-R878 WeakPolarHBondContact O-CG 2.96Å; T874-R878 PolarHBondContact O-N 3.42Å; T874-R878 PolarHBondContact O-NE 3.15Å; T874-R878 PolarHBondContact OG1-NH2 3.01Å; E875-R878 PolarHBondContact O-N 3.4Å |
| 879 | E | 84.3 | Confident | 84.5 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 18.3 | -175.3 | -67.7 | -75.7 | -137.9 | 0 | 0 | 113.7 | E875 I881 R882 T883 L919 W923 | E875-E879 PolarHBondContact O-N 2.73Å; E879-I881 VanDerWaalsContact C-N 3.3Å; E879-I881 PolarHBondContact O-N 3.36Å; E879-R882 PolarHBondContact O-N 2.88Å; E879-R882 VanDerWaalsContact O-N 3.12Å; E879-R882 IonicContact OE1-CZ 3.18Å; E879-R882 IonicContact OE1-NH1 3.71Å; E879-R882 PolarHBondContact OE1-NH1 3.1Å; E879-R882 WeakPolarHBondContact OE2-CD 3.48Å; E879-T883 PolarHBondContact O-N 2.85Å; E879-T883 PolarHBondContact O-OG1 3.39Å; E879-L919 HydrophobicContact CB-CD2 3.98Å; E879-L919 HydrophobicContact CG-CD2 4.46Å; E879-W923 HydrophobicContact CB-CH2 4.07Å; E879-W923 HydrophobicContact CB-CZ2 3.84Å; E879-W923 HydrophobicContact CG-CH2 4.15Å; E879-W923 HydrophobicContact CG-CZ2 4.42Å |
| 880 | K | 85.6 | Confident | 85.2 | Confident | 103 Ų | 103 | 52.7 Ų | 52.7 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -51.6 | -45.7 | -179.8 | -175.7 | 173.9 | 178.7 | 170.7 | 0 | 113 | L876 A877 R882 T883 W884 | L876-K880 WeakPolarHBondContact O-CA 3.36Å; L876-K880 WeakPolarHBondContact O-CB 3.23Å; L876-K880 PolarHBondContact O-N 2.93Å; L876-K880 VanDerWaalsContact O-N 3.07Å; A877-K880 WeakPolarHBondContact O-CB 3.37Å; K880-R882 PolarHBondContact O-N 3.43Å; K880-T883 PolarHBondContact O-N 3.01Å; K880-W884 HydrophobicContact CD-CZ2 4.33Å; K880-W884 VanDerWaalsContact CE-CE2 3.43Å; K880-W884 HydrophobicContact CG-CD2 4.31Å; K880-W884 HydrophobicContact CG-CG 4.5Å; K880-W884 HydrophobicContact CG-CZ2 4.44Å; K880-W884 WeakPolarHBondContact O-CB 3.43Å; K880-W884 PolarHBondContact O-N 3.16Å |
| 881 | I | 84.5 | Confident | 85.7 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.3 | -39.6 | -177.8 | -62.2 | 172.8 | 0 | 0 | 0 | 111.4 | E879 R885 | E879-I881 VanDerWaalsContact C-N 3.3Å; E879-I881 PolarHBondContact O-N 3.36Å; I881-R885 WeakPolarHBondContact O-CG 2.99Å; I881-R885 PolarHBondContact O-N 2.84Å |
| 882 | R | 85.5 | Confident | 86 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 6% | 0.064 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.4 | -44 | 177.5 | -68.7 | -179.6 | 73.8 | -174.5 | -1.5 | 110.9 | E879 K880 W884 R885 Y886 V909 W923 | E879-R882 PolarHBondContact O-N 2.88Å; E879-R882 VanDerWaalsContact O-N 3.12Å; E879-R882 IonicContact OE1-CZ 3.18Å; E879-R882 IonicContact OE1-NH1 3.71Å; E879-R882 PolarHBondContact OE1-NH1 3.1Å; E879-R882 WeakPolarHBondContact OE2-CD 3.48Å; K880-R882 PolarHBondContact O-N 3.43Å; R882-W884 VanDerWaalsContact C-N 3.34Å; R882-W884 PolarHBondContact O-N 3.44Å; R882-R885 WeakPolarHBondContact O-CA 3.26Å; R882-R885 WeakPolarHBondContact O-CB 3.46Å; R882-R885 PolarHBondContact O-N 3.18Å; R882-Y886 HydrophobicContact CB-CE2 4.13Å; R882-Y886 PolarHBondContact NH2-OH 2.99Å; R882-Y886 WeakPolarHBondContact O-CD2 3.44Å; R882-Y886 PolarHBondContact O-N 2.97Å; R882-V909 PolarHBondContact NH2-O 3.01Å; R882-W923 HydrophobicContact CB-CH2 4.38Å; R882-W923 HydrophobicContact CB-CZ2 4.26Å |
| 883 | T | 87.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 177.1 | -57 | 0 | 0 | 0 | 0 | 111 | F859 E879 K880 R885 Y886 I887 W923 | F859-T883 HydrophobicContact CD1-CG2 4.18Å; F859-T883 HydrophobicContact CE1-CG2 3.38Å; F859-T883 HydrophobicContact CE2-CG2 4Å; F859-T883 HydrophobicContact CZ-CG2 3.26Å; E879-T883 PolarHBondContact O-N 2.85Å; E879-T883 PolarHBondContact O-OG1 3.39Å; K880-T883 PolarHBondContact O-N 3.01Å; T883-R885 PolarHBondContact O-N 2.92Å; T883-Y886 PolarHBondContact O-N 3.4Å; T883-Y886 VanDerWaalsContact O-N 3.09Å; T883-I887 HydrophobicContact CG2-CD1 4.1Å; T883-I887 WeakPolarHBondContact O-CG1 3.31Å; T883-I887 PolarHBondContact O-N 2.97Å; T883-W923 PolarHBondContact OG1-NE1 3.1Å |
| 884 | W | 89.8 | Confident | 86.8 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 27% | 0.265 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.4 | -35.5 | 174 | -79.6 | 11.7 | 0 | 0 | 0 | 113.1 | N850 P851 K880 R882 R888 | N850-W884 VanDerWaalsContact OD1-CZ3 3.26Å; N850-W884 WeakPolarHBondContact OD1-CZ3 3.3Å; P851-W884 HydrophobicContact CG-CB 4.07Å; P851-W884 HydrophobicContact CG-CD2 4.41Å; P851-W884 HydrophobicContact CG-CG 3.96Å; K880-W884 HydrophobicContact CD-CZ2 4.33Å; K880-W884 VanDerWaalsContact CE-CE2 3.43Å; K880-W884 HydrophobicContact CG-CD2 4.31Å; K880-W884 HydrophobicContact CG-CG 4.5Å; K880-W884 HydrophobicContact CG-CZ2 4.44Å; K880-W884 WeakPolarHBondContact O-CB 3.43Å; K880-W884 PolarHBondContact O-N 3.16Å; R882-W884 VanDerWaalsContact C-N 3.34Å; R882-W884 PolarHBondContact O-N 3.44Å; W884-R888 WeakPolarHBondContact O-CB 3.47Å; W884-R888 PolarHBondContact O-N 2.91Å; W884-R888 VanDerWaalsContact O-N 3.1Å |
| 885 | R | 86.8 | Confident | 87.1 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -47.1 | 174.3 | -71.2 | 170.9 | -175.1 | -165.6 | 5.5 | 112.1 | T3 I848 I881 R882 T883 R888 T889 | T3-R885 PolarHBondContact OG1-NH1 2.78Å; I848-R885 HydrophobicContact CB-CG 4.34Å; I848-R885 HydrophobicContact CG2-CB 4.05Å; I848-R885 HydrophobicContact CG2-CG 3.82Å; I881-R885 WeakPolarHBondContact O-CG 2.99Å; I881-R885 PolarHBondContact O-N 2.84Å; R882-R885 WeakPolarHBondContact O-CA 3.26Å; R882-R885 WeakPolarHBondContact O-CB 3.46Å; R882-R885 PolarHBondContact O-N 3.18Å; T883-R885 PolarHBondContact O-N 2.92Å; R885-R888 PolarHBondContact O-N 3.05Å; R885-T889 WeakPolarHBondContact O-CB 3.37Å; R885-T889 PolarHBondContact O-N 3Å; R885-T889 PolarHBondContact O-OG1 2.99Å |
| 886 | Y | 89.2 | Confident | 87.6 | Confident | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -36.7 | -179.8 | -59.7 | -48.4 | 0 | 0 | 0 | 112.7 | R882 T883 T889 R890 P908 W923 L927 | R882-Y886 HydrophobicContact CB-CE2 4.13Å; R882-Y886 PolarHBondContact NH2-OH 2.99Å; R882-Y886 WeakPolarHBondContact O-CD2 3.44Å; R882-Y886 PolarHBondContact O-N 2.97Å; T883-Y886 PolarHBondContact O-N 3.4Å; T883-Y886 VanDerWaalsContact O-N 3.09Å; Y886-T889 PolarHBondContact O-N 3.49Å; Y886-R890 WeakPolarHBondContact O-CB 3.37Å; Y886-R890 PolarHBondContact O-N 2.95Å; Y886-P908 HydrophobicContact CD1-CG 4.24Å; Y886-P908 HydrophobicContact CE1-CB 4.22Å; Y886-P908 HydrophobicContact CE1-CG 3.62Å; Y886-P908 HydrophobicContact CE2-CB 4.21Å; Y886-P908 HydrophobicContact CE2-CG 4.1Å; Y886-P908 WeakPolarHBondContact OH-CB 3.47Å; Y886-W923 HydrophobicContact CD2-CB 4.13Å; Y886-W923 AromaticContact CD2-CD1 3.82Å; Y886-W923 AromaticContact CD2-CD2 3.77Å; Y886-W923 HydrophobicContact CD2-CD2 3.77Å; Y886-W923 HydrophobicContact CD2-CE3 4.36Å; Y886-W923 AromaticContact CD2-CG 3.65Å; Y886-W923 HydrophobicContact CD2-CG 3.65Å; Y886-W923 HydrophobicContact CE2-CB 4.44Å; Y886-W923 AromaticContact CE2-CD2 3.63Å; Y886-W923 HydrophobicContact CE2-CD2 3.63Å; Y886-W923 AromaticContact CE2-CE3 3.76Å; Y886-W923 HydrophobicContact CE2-CE3 3.76Å; Y886-W923 AromaticContact CE2-CG 3.97Å; Y886-W923 HydrophobicContact CE2-CG 3.97Å; Y886-W923 HydrophobicContact CE2-CZ2 4.49Å; Y886-W923 HydrophobicContact CE2-CZ3 4.26Å; Y886-L927 HydrophobicContact CD1-CD1 3.87Å; Y886-L927 HydrophobicContact CD1-CD2 4.25Å; Y886-L927 HydrophobicContact CD1-CG 4.43Å; Y886-L927 HydrophobicContact CE1-CD1 4.36Å; Y886-L927 HydrophobicContact CG-CD1 4.4Å |
| 887 | I | 90.8 | Very high | 87.9 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 172.5 | -63.8 | 168.2 | 0 | 0 | 0 | 110 | P851 S855 F859 T883 T889 R890 E891 L926 | P851-I887 HydrophobicContact CB-CB 4Å; P851-I887 HydrophobicContact CB-CG2 3.52Å; P851-I887 HydrophobicContact CG-CB 4.27Å; P851-I887 HydrophobicContact CG-CG2 4.14Å; S855-I887 VanDerWaalsContact CB-CG2 3.43Å; F859-I887 HydrophobicContact CB-CD1 3.77Å; F859-I887 HydrophobicContact CB-CG1 4.24Å; F859-I887 HydrophobicContact CD1-CD1 3.84Å; F859-I887 HydrophobicContact CD2-CD1 4.1Å; F859-I887 HydrophobicContact CD2-CG1 4.08Å; F859-I887 HydrophobicContact CE1-CD1 4.48Å; F859-I887 HydrophobicContact CG-CD1 3.62Å; F859-I887 HydrophobicContact CG-CG1 4.08Å; T883-I887 HydrophobicContact CG2-CD1 4.1Å; T883-I887 WeakPolarHBondContact O-CG1 3.31Å; T883-I887 PolarHBondContact O-N 2.97Å; I887-T889 PolarHBondContact O-N 3.49Å; I887-R890 WeakPolarHBondContact O-CB 3.44Å; I887-R890 PolarHBondContact O-N 2.77Å; I887-R890 VanDerWaalsContact O-N 3.17Å; I887-E891 PolarHBondContact O-N 3.12Å; I887-L926 HydrophobicContact CG1-CD2 3.81Å |
| 888 | R | 87.8 | Confident | 88.1 | Confident | 103 Ų | 103 | 48 Ų | 48 | 39% | 0.389 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 179.5 | -177.7 | 57 | 171.7 | 177.2 | 2.2 | 112.8 | I848 P851 W884 R885 R890 E891 F892 | I848-R888 HydrophobicContact CB-CG 4.32Å; I848-R888 HydrophobicContact CG1-CG 4.19Å; I848-R888 HydrophobicContact CG2-CB 3.48Å; I848-R888 VanDerWaalsContact CG2-CB 3.48Å; I848-R888 HydrophobicContact CG2-CG 3.6Å; P851-R888 HydrophobicContact CB-CB 4.32Å; W884-R888 WeakPolarHBondContact O-CB 3.47Å; W884-R888 PolarHBondContact O-N 2.91Å; W884-R888 VanDerWaalsContact O-N 3.1Å; R885-R888 PolarHBondContact O-N 3.05Å; R888-R890 VanDerWaalsContact C-N 3.32Å; R888-E891 WeakPolarHBondContact CD-OE2 3.11Å; R888-E891 IonicContact CZ-OE2 3.48Å; R888-E891 IonicContact NE-OE2 3.47Å; R888-E891 IonicContact NH1-OE2 3.28Å; R888-E891 PolarHBondContact NH1-OE2 3.43Å; R888-E891 PolarHBondContact O-N 3.17Å; R888-F892 PolarHBondContact O-N 2.79Å; R888-F892 VanDerWaalsContact O-N 3.15Å |
| 889 | T | 88.7 | Confident | 88.3 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 171.7 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | L783 I848 R885 Y886 I887 F892 M893 I905 L927 | L783-T889 HydrophobicContact CD1-CG2 3.76Å; I848-T889 WeakPolarHBondContact CD1-OG1 3.47Å; R885-T889 WeakPolarHBondContact O-CB 3.37Å; R885-T889 PolarHBondContact O-N 3Å; R885-T889 PolarHBondContact O-OG1 2.99Å; Y886-T889 PolarHBondContact O-N 3.49Å; I887-T889 PolarHBondContact O-N 3.49Å; T889-F892 PolarHBondContact O-N 3.16Å; T889-M893 HydrophobicContact CG2-CG 4.37Å; T889-M893 HydrophobicContact CG2-SD 3.94Å; T889-M893 VanDerWaalsContact O-CG 3.26Å; T889-M893 WeakPolarHBondContact O-CG 3.42Å; T889-M893 PolarHBondContact O-N 3.46Å; T889-I905 HydrophobicContact CG2-CD1 3.86Å; T889-L927 HydrophobicContact CG2-CD2 4.02Å |
| 890 | R | 90.5 | Very high | 88.4 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 176 | 175.6 | -175.4 | 175.9 | 68.4 | 6.1 | 112.3 | Y886 I887 R888 F892 M893 L894 L926 R929 D930 | Y886-R890 WeakPolarHBondContact O-CB 3.37Å; Y886-R890 PolarHBondContact O-N 2.95Å; I887-R890 WeakPolarHBondContact O-CB 3.44Å; I887-R890 PolarHBondContact O-N 2.77Å; I887-R890 VanDerWaalsContact O-N 3.17Å; R888-R890 VanDerWaalsContact C-N 3.32Å; R890-F892 PolarHBondContact O-N 3.31Å; R890-M893 PolarHBondContact O-N 2.68Å; R890-M893 VanDerWaalsContact O-N 3.09Å; R890-L894 HydrophobicContact CG-CD1 3.98Å; R890-L894 HydrophobicContact CG-CG 4.29Å; R890-L894 WeakPolarHBondContact O-CG 3.25Å; R890-L894 PolarHBondContact O-N 3.18Å; R890-L926 VanDerWaalsContact CD-O 3.28Å; R890-L926 WeakPolarHBondContact CD-O 3.5Å; R890-L926 PolarHBondContact NH1-O 3.4Å; R890-R929 PolarHBondContact NH1-O 3.35Å; R890-D930 IonicContact CZ-OD2 3.11Å; R890-D930 IonicContact NH1-OD2 2.69Å; R890-D930 IonicContact NH2-OD2 2.7Å; R890-D930 PolarHBondContact NH2-OD2 3.29Å |
| 891 | E | 89.1 | Confident | 88.6 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 12% | 0.117 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.6 | -45.1 | 175.4 | -70.3 | 174.1 | 165.6 | 0 | 0 | 111.3 | S852 S855 I887 R888 L894 A895 | S852-E891 VanDerWaalsContact CB-OE1 3.25Å; S852-E891 WeakPolarHBondContact CB-OE1 3.34Å; S852-E891 PolarHBondContact N-OE1 3.23Å; S852-E891 PolarHBondContact OG-OE1 3.28Å; S855-E891 WeakPolarHBondContact CB-OE1 3.48Å; S855-E891 VanDerWaalsContact OG-CD 3.3Å; S855-E891 VanDerWaalsContact OG-CG 3.24Å; S855-E891 WeakPolarHBondContact OG-CG 3.4Å; S855-E891 PolarHBondContact OG-OE1 3.31Å; I887-E891 PolarHBondContact O-N 3.12Å; R888-E891 WeakPolarHBondContact CD-OE2 3.11Å; R888-E891 IonicContact CZ-OE2 3.48Å; R888-E891 IonicContact NE-OE2 3.47Å; R888-E891 IonicContact NH1-OE2 3.28Å; R888-E891 PolarHBondContact NH1-OE2 3.43Å; R888-E891 PolarHBondContact O-N 3.17Å; E891-L894 PolarHBondContact O-N 3.03Å; E891-A895 PolarHBondContact O-N 3.16Å; E891-A895 VanDerWaalsContact O-N 3.07Å |
| 892 | F | 87.7 | Confident | 89 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 20% | 0.202 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 178.8 | -169.1 | -82.3 | 0 | 0 | 0 | 112.1 | Y781 F812 I845 R888 T889 R890 A895 N896 | Y781-F892 AromaticContact CE1-CD1 3.89Å; Y781-F892 HydrophobicContact CE1-CD1 3.89Å; Y781-F892 HydrophobicContact CE1-CE1 4.24Å; F812-F892 AromaticContact CD1-CE1 3.5Å; F812-F892 HydrophobicContact CD1-CE1 3.5Å; F812-F892 VanDerWaalsContact CD1-CE1 3.5Å; F812-F892 HydrophobicContact CD1-CZ 4.15Å; F812-F892 AromaticContact CE1-CE1 3.72Å; F812-F892 HydrophobicContact CE1-CE1 3.72Å; F812-F892 HydrophobicContact CE1-CZ 4.28Å; I845-F892 HydrophobicContact CD1-CD1 3.59Å; I845-F892 HydrophobicContact CD1-CE1 3.8Å; I845-F892 HydrophobicContact CD1-CG 3.99Å; I845-F892 HydrophobicContact CD1-CZ 4.37Å; I845-F892 HydrophobicContact CG1-CD1 3.89Å; I845-F892 HydrophobicContact CG1-CD2 4.24Å; I845-F892 HydrophobicContact CG1-CE1 3.67Å; I845-F892 HydrophobicContact CG1-CE2 4.03Å; I845-F892 HydrophobicContact CG1-CG 4.16Å; I845-F892 HydrophobicContact CG1-CZ 3.75Å; I845-F892 HydrophobicContact CG2-CD2 4.05Å; I845-F892 HydrophobicContact CG2-CE2 4.34Å; I845-F892 HydrophobicContact CG2-CG 4.31Å; R888-F892 PolarHBondContact O-N 2.79Å; R888-F892 VanDerWaalsContact O-N 3.15Å; T889-F892 PolarHBondContact O-N 3.16Å; R890-F892 PolarHBondContact O-N 3.31Å; F892-A895 PolarHBondContact O-N 2.82Å; F892-N896 WeakPolarHBondContact CD1-ND2 3.19Å; F892-N896 HydrophobicContact CE1-CB 4.35Å; F892-N896 WeakPolarHBondContact CE1-ND2 3.09Å; F892-N896 VanDerWaalsContact CZ-ND2 3.28Å; F892-N896 WeakPolarHBondContact CZ-ND2 3.37Å; F892-N896 PolarHBondContact O-N 2.92Å; F892-N896 PolarHBondContact O-ND2 2.69Å |
| 893 | M | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65 | -42 | 175.6 | -67.6 | 168.5 | 75.7 | 0 | 0 | 112.1 | Y781 T889 R890 A895 N896 S897 I903 I905 L927 F931 | Y781-M893 HydrophobicContact CD1-CG 4.16Å; Y781-M893 HydrophobicContact CD2-CG 4.41Å; Y781-M893 HydrophobicContact CE1-CG 3.66Å; Y781-M893 HydrophobicContact CE2-CG 3.94Å; Y781-M893 WeakPolarHBondContact OH-CA 3.34Å; T889-M893 HydrophobicContact CG2-CG 4.37Å; T889-M893 HydrophobicContact CG2-SD 3.94Å; T889-M893 VanDerWaalsContact O-CG 3.26Å; T889-M893 WeakPolarHBondContact O-CG 3.42Å; T889-M893 PolarHBondContact O-N 3.46Å; R890-M893 PolarHBondContact O-N 2.68Å; R890-M893 VanDerWaalsContact O-N 3.09Å; M893-A895 VanDerWaalsContact C-N 3.27Å; M893-A895 PolarHBondContact O-N 3.11Å; M893-N896 PolarHBondContact O-N 3.38Å; M893-S897 WeakPolarHBondContact O-CA 3.33Å; M893-S897 WeakPolarHBondContact O-CB 3.4Å; M893-S897 PolarHBondContact O-N 2.95Å; M893-I903 HydrophobicContact CE-CG2 3.75Å; M893-I905 HydrophobicContact CE-CD1 3.85Å; M893-I905 HydrophobicContact SD-CD1 3.45Å; M893-I905 WeakPolarHBondContact SD-CD1 3.27Å; M893-L927 WeakPolarHBondContact CE-O 2.96Å; M893-L927 HydrophobicContact SD-CD2 4.46Å; M893-F931 HydrophobicContact CB-CE1 3.97Å; M893-F931 HydrophobicContact CB-CE2 4.2Å; M893-F931 HydrophobicContact CB-CZ 3.42Å; M893-F931 VanDerWaalsContact CB-CZ 3.42Å; M893-F931 HydrophobicContact CE-CD2 4.36Å; M893-F931 HydrophobicContact CE-CE2 3.93Å; M893-F931 HydrophobicContact CE-CZ 4.21Å |
| 894 | L | 90.4 | Very high | 89.8 | Confident | 65 Ų | 65 | 36.6 Ų | 36.6 | 34% | 0.34 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.4 | -34.9 | 176.4 | -72.5 | 171.6 | 0 | 0 | 0 | 111.6 | R890 E891 V898 F931 | R890-L894 HydrophobicContact CG-CD1 3.98Å; R890-L894 HydrophobicContact CG-CG 4.29Å; R890-L894 WeakPolarHBondContact O-CG 3.25Å; R890-L894 PolarHBondContact O-N 3.18Å; E891-L894 PolarHBondContact O-N 3.03Å; L894-V898 HydrophobicContact CD2-CG2 4.24Å; L894-V898 WeakPolarHBondContact O-CG2 3.3Å; L894-F931 HydrophobicContact CD2-CE1 3.95Å; L894-F931 HydrophobicContact CD2-CZ 3.74Å; L894-F931 HydrophobicContact CG-CE1 4.45Å; L894-F931 HydrophobicContact CG-CZ 3.95Å |
| 895 | A | 89 | Confident | 90 | Very high | 80 Ų | 80 | 33.3 Ų | 33.3 | 66% | 0.661 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -71.2 | -31.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E891 F892 M893 | E891-A895 PolarHBondContact O-N 3.16Å; E891-A895 VanDerWaalsContact O-N 3.07Å; F892-A895 PolarHBondContact O-N 2.82Å; M893-A895 VanDerWaalsContact C-N 3.27Å; M893-A895 PolarHBondContact O-N 3.11Å |
| 896 | N | 89.9 | Confident | 90.4 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 33% | 0.326 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -117.5 | -22.5 | -166 | -66.4 | -72.8 | 0 | 0 | 0 | 116.1 | R810 F812 F892 M893 | R810-N896 PolarHBondContact NH2-O 2.89Å; F812-N896 HydrophobicContact CE1-CB 4.24Å; F812-N896 HydrophobicContact CZ-CB 4.3Å; F892-N896 WeakPolarHBondContact CD1-ND2 3.19Å; F892-N896 HydrophobicContact CE1-CB 4.35Å; F892-N896 WeakPolarHBondContact CE1-ND2 3.09Å; F892-N896 VanDerWaalsContact CZ-ND2 3.28Å; F892-N896 WeakPolarHBondContact CZ-ND2 3.37Å; F892-N896 PolarHBondContact O-N 2.92Å; F892-N896 PolarHBondContact O-ND2 2.69Å; M893-N896 PolarHBondContact O-N 3.38Å |
| 897 | S | 90.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -126.6 | 6.4 | -162.5 | -64.1 | 0 | 0 | 0 | 0 | 115.3 | D779 Y781 M893 S899 S900 I903 | D779-S897 WeakPolarHBondContact OD2-CA 3.38Å; D779-S897 WeakPolarHBondContact OD2-CB 3.15Å; D779-S897 PolarHBondContact OD2-OG 3.27Å; Y781-S897 VanDerWaalsContact CE2-OG 3.31Å; Y781-S897 WeakPolarHBondContact CE2-OG 3.41Å; Y781-S897 PolarHBondContact OH-OG 3.04Å; M893-S897 WeakPolarHBondContact O-CA 3.33Å; M893-S897 WeakPolarHBondContact O-CB 3.4Å; M893-S897 PolarHBondContact O-N 2.95Å; S897-S899 PolarHBondContact O-N 2.86Å; S897-S900 WeakPolarHBondContact O-CB 3.2Å; S897-S900 PolarHBondContact O-N 3.39Å; S897-S900 VanDerWaalsContact O-N 3.13Å; S897-S900 PolarHBondContact O-OG 3.35Å; S897-I903 WeakPolarHBondContact O-CD1 3.37Å |
| 898 | V | 87.2 | Confident | 90.5 | Very high | 75 Ų | 75 | 29.9 Ų | 29.9 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34 | 179.5 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | L894 S900 F931 | L894-V898 HydrophobicContact CD2-CG2 4.24Å; L894-V898 WeakPolarHBondContact O-CG2 3.3Å; V898-S900 VanDerWaalsContact C-N 3.3Å; V898-S900 PolarHBondContact O-N 3.37Å; V898-F931 HydrophobicContact CG2-CE1 4.14Å |
| 899 | S | 86.8 | Confident | 90.4 | Very high | 91 Ų | 91 | 25.1 Ų | 25.1 | 64% | 0.636 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -5 | 178.7 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | S897 | S897-S899 PolarHBondContact O-N 2.86Š|
| 900 | S | 88.2 | Confident | 90.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -80.8 | 136.5 | -171.7 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | D779 R810 S897 V898 L902 | D779-S900 PolarHBondContact OD1-OG 3.11Å; D779-S900 WeakPolarHBondContact OD2-CB 3.28Å; D779-S900 PolarHBondContact OD2-OG 3.23Å; R810-S900 PolarHBondContact NH2-OG 3.2Å; R810-S900 VanDerWaalsContact NH2-OG 3.15Å; S897-S900 WeakPolarHBondContact O-CB 3.2Å; S897-S900 PolarHBondContact O-N 3.39Å; S897-S900 VanDerWaalsContact O-N 3.13Å; S897-S900 PolarHBondContact O-OG 3.35Å; V898-S900 VanDerWaalsContact C-N 3.3Å; V898-S900 PolarHBondContact O-N 3.37Å; S900-L902 VanDerWaalsContact C-N 3.33Å; S900-L902 PolarHBondContact O-N 3.04Å | ||
| 901 | E | 89.3 | Confident | 89.4 | Confident | 57 Ų | 57 | 26.7 Ų | 26.7 | 27% | 0.266 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -65.8 | -35.9 | 179.9 | -84.7 | 67.2 | -154 | 0 | 0 | 113.2 | I773 A776 T777 L804 T933 | I773-E901 HydrophobicContact CD1-CG 4.03Å; I773-E901 HydrophobicContact CG2-CG 4.16Å; A776-E901 WeakPolarHBondContact CA-OE2 3.14Å; A776-E901 HydrophobicContact CB-CB 4.15Å; A776-E901 HydrophobicContact CB-CG 3.91Å; T777-E901 PolarHBondContact N-OE2 3.33Å; T777-E901 PolarHBondContact O-N 3.02Å; T777-E901 PolarHBondContact OG1-OE2 3.48Å; L804-E901 HydrophobicContact CD2-CB 4.37Å; E901-T933 WeakPolarHBondContact O-CB 3.45Å; E901-T933 PolarHBondContact O-OG1 2.78Å |
| 902 | L | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 127.4 | 178.4 | 178.4 | 65.6 | 0 | 0 | 0 | 110.1 | F579 I778 D779 L797 L804 S900 V904 T933 L935 | F579-L902 HydrophobicContact CE2-CD1 4.28Å; F579-L902 HydrophobicContact CE2-CD2 4.25Å; F579-L902 HydrophobicContact CZ-CD2 4.47Å; I778-L902 WeakPolarHBondContact CA-O 3.43Å; I778-L902 HydrophobicContact CG1-CB 4.49Å; I778-L902 HydrophobicContact CG2-CB 4.45Å; I778-L902 HydrophobicContact CG2-CD2 4.29Å; I778-L902 HydrophobicContact CG2-CG 4.43Å; D779-L902 PolarHBondContact N-O 3.39Å; L797-L902 HydrophobicContact CD1-CD2 3.51Å; L804-L902 HydrophobicContact CD1-CB 3.96Å; L804-L902 HydrophobicContact CD1-CD2 3.82Å; S900-L902 VanDerWaalsContact C-N 3.33Å; S900-L902 PolarHBondContact O-N 3.04Å; L902-V904 HydrophobicContact CD2-CG2 4.02Å; L902-V904 HydrophobicContact CG-CG2 4.03Å; L902-T933 HydrophobicContact CD1-CG2 3.72Å; L902-L935 HydrophobicContact CD1-CB 4.26Å |
| 903 | I | 94.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122 | 170.8 | -53.2 | 174.6 | 0 | 0 | 0 | 108.2 | D779 Y781 M893 S897 F931 T933 V934 L935 | D779-I903 CarbonylContact O-C 3.59Å; D779-I903 WeakPolarHBondContact O-CA 3.26Å; Y781-I903 HydrophobicContact CD2-CG2 3.67Å; Y781-I903 HydrophobicContact CE2-CG2 3.8Å; M893-I903 HydrophobicContact CE-CG2 3.75Å; S897-I903 WeakPolarHBondContact O-CD1 3.37Å; I903-F931 HydrophobicContact CD1-CB 3.76Å; I903-F931 HydrophobicContact CD1-CD1 3.29Å; I903-F931 HydrophobicContact CD1-CD2 4.34Å; I903-F931 HydrophobicContact CD1-CE1 3.96Å; I903-F931 HydrophobicContact CD1-CG 3.53Å; I903-T933 PolarHBondContact N-O 3.09Å; I903-V934 HydrophobicContact CB-CG2 4.35Å; I903-V934 CarbonylContact O-C 3.58Å; I903-V934 WeakPolarHBondContact O-CA 3.33Å; I903-L935 PolarHBondContact O-N 3.45Å |
| 904 | V | 95.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.2 | 173.5 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | I778 D779 V780 Y781 T790 P794 L902 L935 V937 | I778-V904 HydrophobicContact CG2-CG2 4.23Å; D779-V904 PolarHBondContact O-N 2.9Å; V780-V904 CarbonylContact C-O 3.58Å; V780-V904 WeakPolarHBondContact CA-O 3.21Å; V780-V904 HydrophobicContact CG2-CB 4.47Å; Y781-V904 PolarHBondContact N-O 2.97Å; T790-V904 HydrophobicContact CG2-CG1 4.11Å; P794-V904 HydrophobicContact CB-CG2 4.1Å; P794-V904 HydrophobicContact CG-CG2 4.29Å; L902-V904 HydrophobicContact CD2-CG2 4.02Å; L902-V904 HydrophobicContact CG-CG2 4.03Å; V904-L935 WeakPolarHBondContact CA-O 3.34Å; V904-L935 HydrophobicContact CG1-CD2 4.28Å; V904-L935 HydrophobicContact CG2-CB 4.35Å; V904-L935 HydrophobicContact CG2-CD2 4.44Å; V904-V937 HydrophobicContact CG1-CB 4.35Å; V904-V937 HydrophobicContact CG1-CG2 3.63Å |
| 905 | I | 94.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.2 | -177 | -178.2 | 163.8 | 0 | 0 | 0 | 111 | Y781 L783 T889 M893 M907 L927 V934 L935 L936 V937 | Y781-I905 HydrophobicContact CG-CD1 4.35Å; Y781-I905 HydrophobicContact CG-CG1 4.46Å; L783-I905 HydrophobicContact CD1-CD1 4.05Å; L783-I905 HydrophobicContact CD1-CG1 4.12Å; T889-I905 HydrophobicContact CG2-CD1 3.86Å; M893-I905 HydrophobicContact CE-CD1 3.85Å; M893-I905 HydrophobicContact SD-CD1 3.45Å; M893-I905 WeakPolarHBondContact SD-CD1 3.27Å; I905-M907 PolarHBondContact O-N 3.36Å; I905-M907 VanDerWaalsContact O-N 3.16Å; I905-L927 HydrophobicContact CD1-CD2 4.14Å; I905-V934 HydrophobicContact CG2-CG1 4.02Å; I905-L935 PolarHBondContact N-O 3.26Å; I905-L936 HydrophobicContact CG2-CD2 3.59Å; I905-L936 WeakPolarHBondContact O-CA 3.3Å; I905-V937 PolarHBondContact O-N 3.42Å |
| 906 | T | 93.8 | Very high | 83.1 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 116.2 | 175 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | Y781 L783 F784 V937 | Y781-T906 PolarHBondContact O-N 3.46Å; Y781-T906 VanDerWaalsContact O-N 3.08Å; Y781-T906 PolarHBondContact O-OG1 2.95Å; L783-T906 PolarHBondContact N-OG1 2.73Å; F784-T906 HydrophobicContact CB-CG2 4.16Å; F784-T906 HydrophobicContact CD2-CG2 4.43Å; T906-V937 CarbonylContact C-O 3.53Å; T906-V937 VanDerWaalsContact CA-O 3.29Å; T906-V937 WeakPolarHBondContact CA-O 3.43Å |
| 907 | M | 92.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 139.3 | -177.8 | -169.4 | 176.1 | 70.4 | 0 | 0 | 111.1 | I680 F684 V690 V692 I905 L924 L936 V937 R938 | I680-M907 HydrophobicContact CG2-CE 4.02Å; F684-M907 HydrophobicContact CE1-CE 4.3Å; F684-M907 HydrophobicContact CE2-CE 3.69Å; F684-M907 HydrophobicContact CZ-CE 3.26Å; V690-M907 HydrophobicContact CB-CE 3.92Å; V690-M907 HydrophobicContact CG1-CE 3.83Å; V692-M907 HydrophobicContact CG2-SD 3.84Å; I905-M907 PolarHBondContact O-N 3.36Å; I905-M907 VanDerWaalsContact O-N 3.16Å; M907-L924 HydrophobicContact CG-CD2 3.57Å; M907-L924 HydrophobicContact SD-CD2 3.97Å; M907-L936 HydrophobicContact CB-CB 4.03Å; M907-L936 HydrophobicContact CG-CB 4.01Å; M907-L936 HydrophobicContact SD-CB 4.11Å; M907-V937 PolarHBondContact N-O 3.49Å; M907-R938 HydrophobicContact CB-CB 4.11Å; M907-R938 HydrophobicContact CE-CB 4.2Å |
| 908 | P | 89.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 143 | 169.2 | -27.2 | 36.7 | 0 | 0 | 0 | 112.3 | Y886 Y920 W923 L927 | Y886-P908 HydrophobicContact CD1-CG 4.24Å; Y886-P908 HydrophobicContact CE1-CB 4.22Å; Y886-P908 HydrophobicContact CE1-CG 3.62Å; Y886-P908 HydrophobicContact CE2-CB 4.21Å; Y886-P908 HydrophobicContact CE2-CG 4.1Å; Y886-P908 WeakPolarHBondContact OH-CB 3.47Å; P908-Y920 HydrophobicContact CB-CE2 3.93Å; P908-Y920 VanDerWaalsContact O-CE2 3.23Å; P908-Y920 WeakPolarHBondContact O-CE2 3.47Å; P908-Y920 PolarHBondContact O-OH 3.19Å; P908-W923 HydrophobicContact CB-CE3 4.35Å; P908-L927 HydrophobicContact CG-CD1 3.65Å |
| 909 | V | 85.4 | Confident | 82.3 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -96 | 128.9 | 171.3 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | R33 R882 R938 | R33-V909 HydrophobicContact CG-CG1 3.83Å; R882-V909 PolarHBondContact NH2-O 3.01Å; V909-R938 HydrophobicContact CG2-CG 3.96Å; V909-R938 VanDerWaalsContact CG2-CZ 3.41Å; V909-R938 VanDerWaalsContact CG2-NH2 3.35Å |
| 910 | P | 82 | Confident | 82.4 | Confident | 11 Ų | 11 | 25.6 Ų | 25.6 | 7% | 0.071 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 137.4 | 173.2 | 30.1 | -31.5 | 0 | 0 | 0 | 109.8 | F684 Y920 | F684-P910 HydrophobicContact CD2-CG 4.34Å; F684-P910 HydrophobicContact CE2-CG 4.42Å; P910-Y920 HydrophobicContact CB-CD2 3.93Å; P910-Y920 HydrophobicContact CB-CE2 3.98Å; P910-Y920 HydrophobicContact CB-CG 4.24Å; P910-Y920 HydrophobicContact CG-CE1 4.47Å; P910-Y920 HydrophobicContact CG-CE2 4.18Å |
| 911 | R | 75.9 | Confident | 82.6 | Confident | 38 Ų | 38 | 25.6 Ų | 25.6 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -88.6 | 135.5 | 173.9 | -73.9 | -178.9 | 178.1 | -175.6 | -0.6 | 109.6 | R33 G913 D914 | R33-R911 CarbonylContact O-C 3.54Å; R33-R911 WeakPolarHBondContact O-CA 3.37Å; R911-G913 PolarHBondContact O-N 3.03Å; R911-D914 HydrophobicContact CB-CB 3.95Å |
| 912 | K | 69.8 | Low | 82.6 | Confident | 99 Ų | 99 | 23 Ų | 23 | 43% | 0.43 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 124.9 | 175.4 | -72.4 | 179.5 | -173.6 | 167.8 | 0 | 109.1 | R33 E34 D914 | R33-K912 HydrophobicContact CB-CG 4.34Å; R33-K912 VanDerWaalsContact NH2-CE 3.34Å; R33-K912 PolarHBondContact O-N 3.28Å; E34-K912 IonicContact OE1-NZ 3.15Å; K912-D914 VanDerWaalsContact C-N 3.27Å; K912-D914 PolarHBondContact O-N 3.23Å |
| 913 | G | 64.9 | Low | 82.6 | Confident | 84 Ų | 84 | 23 Ų | 23 | 87% | 0.866 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81 | -16 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R911 | R911-G913 PolarHBondContact O-N 3.03Š|
| 914 | D | 54.4 | Low | 82.6 | Confident | 73 Ų | 73 | 23 Ų | 23 | 39% | 0.39 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -22.1 | -173.8 | -81.3 | -20.3 | 0 | 0 | 0 | 115 | R911 K912 | R911-D914 HydrophobicContact CB-CB 3.95Å; K912-D914 VanDerWaalsContact C-N 3.27Å; K912-D914 PolarHBondContact O-N 3.23Å |
| 915 | C | 58.3 | Low | 82.4 | Confident | 18 Ų | 18 | 23.1 Ų | 23.1 | 12% | 0.122 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -124.9 | 111.8 | -177.8 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 916 | D | 68.2 | Low | 82.3 | Confident | 71 Ų | 71 | 23.9 Ų | 23.9 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | trans | -71.8 | 152 | 175 | -152.4 | -7 | 0 | 0 | 0 | 110.3 | E875 G918 L919 | E875-D916 VanDerWaalsContact CD-CB 3.48Å; E875-D916 HydrophobicContact CG-CB 4.5Å; E875-D916 WeakPolarHBondContact OE1-CB 3.4Å; E875-D916 WeakPolarHBondContact OE2-CB 3.35Å; D916-G918 PolarHBondContact O-N 2.58Å; D916-L919 PolarHBondContact O-N 3.25Å | ||
| 917 | Y | 79.6 | Confident | 82.2 | Confident | 72 Ų | 72 | 23.7 Ų | 23.7 | 28% | 0.282 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -57.3 | -30.1 | -165.2 | -55.6 | -77 | 0 | 0 | 0 | 113.5 | R674 I677 N678 M921 | R674-Y917 HydrophobicContact CG-CD2 3.81Å; R674-Y917 HydrophobicContact CG-CE2 3.88Å; R674-Y917 HydrophobicContact CG-CG 4.13Å; I677-Y917 HydrophobicContact CB-CD1 3.92Å; I677-Y917 HydrophobicContact CG2-CD1 3.68Å; N678-Y917 WeakPolarHBondContact OD1-CE1 3.32Å; N678-Y917 PolarHBondContact OD1-OH 3.23Å; Y917-M921 PolarHBondContact O-N 3.47Å |
| 918 | G | 83.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.5 | -45.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L870 D916 Y920 M921 V922 | L870-G918 WeakPolarHBondContact O-CA 3.49Å; D916-G918 PolarHBondContact O-N 2.58Å; G918-Y920 VanDerWaalsContact C-N 3.29Å; G918-Y920 PolarHBondContact O-N 2.01Å; G918-M921 PolarHBondContact O-N 3.34Å; G918-V922 WeakPolarHBondContact O-CG2 3.39Å; G918-V922 PolarHBondContact O-N 3.12Å |
| 919 | L | 87.9 | Confident | 82 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | -178.6 | -178.1 | 60.7 | 0 | 0 | 0 | 111.1 | V871 E875 L876 E879 D916 V922 W923 | V871-L919 HydrophobicContact CG1-CB 4.29Å; V871-L919 HydrophobicContact CG1-CD1 4.33Å; V871-L919 HydrophobicContact CG2-CB 4.34Å; E875-L919 HydrophobicContact CB-CD2 4.32Å; L876-L919 HydrophobicContact CD1-CD1 4.2Å; E879-L919 HydrophobicContact CB-CD2 3.98Å; E879-L919 HydrophobicContact CG-CD2 4.46Å; D916-L919 PolarHBondContact O-N 3.25Å; L919-V922 WeakPolarHBondContact O-CB 3.41Å; L919-V922 PolarHBondContact O-N 3.23Å; L919-W923 HydrophobicContact CD1-CZ2 4.4Å; L919-W923 HydrophobicContact CD2-CH2 4.27Å; L919-W923 HydrophobicContact CD2-CZ2 3.67Å; L919-W923 HydrophobicContact CG-CD2 4.5Å; L919-W923 HydrophobicContact CG-CH2 4.45Å; L919-W923 HydrophobicContact CG-CZ2 3.76Å; L919-W923 PolarHBondContact O-N 3.06Å |
| 920 | Y | 90 | Very high | 82.1 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 174.8 | -173.9 | -108.1 | 0 | 0 | 0 | 112.1 | I677 I680 P908 P910 G918 V922 W923 L924 | I677-Y920 HydrophobicContact CD1-CD1 3.83Å; I677-Y920 HydrophobicContact CD1-CE1 4.29Å; I677-Y920 HydrophobicContact CG1-CD1 4.41Å; I677-Y920 HydrophobicContact CG2-CD1 3.73Å; I677-Y920 HydrophobicContact CG2-CE1 4.3Å; I680-Y920 HydrophobicContact CD1-CE1 4.34Å; I680-Y920 HydrophobicContact CG2-CE1 4.32Å; P908-Y920 HydrophobicContact CB-CE2 3.93Å; P908-Y920 VanDerWaalsContact O-CE2 3.23Å; P908-Y920 WeakPolarHBondContact O-CE2 3.47Å; P908-Y920 PolarHBondContact O-OH 3.19Å; P910-Y920 HydrophobicContact CB-CD2 3.93Å; P910-Y920 HydrophobicContact CB-CE2 3.98Å; P910-Y920 HydrophobicContact CB-CG 4.24Å; P910-Y920 HydrophobicContact CG-CE1 4.47Å; P910-Y920 HydrophobicContact CG-CE2 4.18Å; G918-Y920 VanDerWaalsContact C-N 3.29Å; G918-Y920 PolarHBondContact O-N 2.01Å; Y920-V922 VanDerWaalsContact C-N 3.31Å; Y920-V922 PolarHBondContact O-N 3.44Å; Y920-W923 AromaticContact CD2-CE3 3.97Å; Y920-W923 HydrophobicContact CD2-CE3 3.97Å; Y920-W923 HydrophobicContact CD2-CZ3 4.35Å; Y920-W923 PolarHBondContact O-N 3.44Å; Y920-W923 VanDerWaalsContact O-N 3.16Å; Y920-L924 HydrophobicContact CD1-CD1 4.18Å; Y920-L924 HydrophobicContact CD1-CG 4.41Å; Y920-L924 HydrophobicContact CE1-CD1 3.71Å; Y920-L924 HydrophobicContact CE1-CD2 4.28Å; Y920-L924 HydrophobicContact CE1-CG 4.08Å; Y920-L924 HydrophobicContact CE2-CD2 4.48Å; Y920-L924 WeakPolarHBondContact O-CG 3.44Å; Y920-L924 PolarHBondContact O-N 3.04Å |
| 921 | M | 90.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 175.2 | -172.4 | 61.7 | -161.2 | 0 | 0 | 111.8 | F661 W665 I673 Y676 I677 Y917 G918 W923 L924 D925 | F661-M921 HydrophobicContact CE1-CE 3.95Å; F661-M921 HydrophobicContact CE2-CE 3.82Å; F661-M921 HydrophobicContact CZ-CE 3.41Å; F661-M921 VanDerWaalsContact CZ-CE 3.41Å; W665-M921 HydrophobicContact CB-CE 3.91Å; W665-M921 VanDerWaalsContact CD1-CE 3.47Å; W665-M921 HydrophobicContact CD2-CE 4.14Å; W665-M921 HydrophobicContact CD2-CG 3.8Å; W665-M921 HydrophobicContact CE3-CG 3.92Å; W665-M921 HydrophobicContact CG-CE 3.57Å; W665-M921 HydrophobicContact CG-CG 4.18Å; W665-M921 HydrophobicContact CZ2-CG 4.49Å; W665-M921 HydrophobicContact CZ3-CG 4.33Å; I673-M921 HydrophobicContact CG2-CB 4.25Å; I673-M921 HydrophobicContact CG2-CG 4.18Å; Y676-M921 HydrophobicContact CD1-SD 4.19Å; Y676-M921 HydrophobicContact CE1-SD 4.16Å; I677-M921 HydrophobicContact CD1-CB 4.25Å; I677-M921 HydrophobicContact CD1-SD 4.01Å; Y917-M921 PolarHBondContact O-N 3.47Å; G918-M921 PolarHBondContact O-N 3.34Å; M921-W923 VanDerWaalsContact C-N 3.33Å; M921-W923 PolarHBondContact O-N 3.27Å; M921-L924 PolarHBondContact O-N 3.27Å; M921-D925 PolarHBondContact O-N 3.17Å |
| 922 | V | 90.8 | Very high | 82.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 173.7 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | W665 F859 F862 V863 G918 L919 Y920 D925 L926 | W665-V922 HydrophobicContact CH2-CG2 3.73Å; W665-V922 HydrophobicContact CZ2-CG2 4.24Å; F859-V922 HydrophobicContact CE2-CG1 3.56Å; F859-V922 HydrophobicContact CZ-CG1 3.85Å; F862-V922 HydrophobicContact CE1-CG1 4.27Å; V863-V922 HydrophobicContact CG2-CG1 3.7Å; G918-V922 WeakPolarHBondContact O-CG2 3.39Å; G918-V922 PolarHBondContact O-N 3.12Å; L919-V922 WeakPolarHBondContact O-CB 3.41Å; L919-V922 PolarHBondContact O-N 3.23Å; Y920-V922 VanDerWaalsContact C-N 3.31Å; Y920-V922 PolarHBondContact O-N 3.44Å; V922-D925 PolarHBondContact O-N 3.35Å; V922-L926 VanDerWaalsContact O-CB 3.25Å; V922-L926 WeakPolarHBondContact O-CB 3.47Å; V922-L926 PolarHBondContact O-N 3.28Å |
| 923 | W | 92.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 176.3 | -64 | -21.2 | 0 | 0 | 0 | 113 | E879 R882 T883 Y886 P908 L919 Y920 M921 D925 L926 L927 | E879-W923 HydrophobicContact CB-CH2 4.07Å; E879-W923 HydrophobicContact CB-CZ2 3.84Å; E879-W923 HydrophobicContact CG-CH2 4.15Å; E879-W923 HydrophobicContact CG-CZ2 4.42Å; R882-W923 HydrophobicContact CB-CH2 4.38Å; R882-W923 HydrophobicContact CB-CZ2 4.26Å; T883-W923 PolarHBondContact OG1-NE1 3.1Å; Y886-W923 HydrophobicContact CD2-CB 4.13Å; Y886-W923 AromaticContact CD2-CD1 3.82Å; Y886-W923 AromaticContact CD2-CD2 3.77Å; Y886-W923 HydrophobicContact CD2-CD2 3.77Å; Y886-W923 HydrophobicContact CD2-CE3 4.36Å; Y886-W923 AromaticContact CD2-CG 3.65Å; Y886-W923 HydrophobicContact CD2-CG 3.65Å; Y886-W923 HydrophobicContact CE2-CB 4.44Å; Y886-W923 AromaticContact CE2-CD2 3.63Å; Y886-W923 HydrophobicContact CE2-CD2 3.63Å; Y886-W923 AromaticContact CE2-CE3 3.76Å; Y886-W923 HydrophobicContact CE2-CE3 3.76Å; Y886-W923 AromaticContact CE2-CG 3.97Å; Y886-W923 HydrophobicContact CE2-CG 3.97Å; Y886-W923 HydrophobicContact CE2-CZ2 4.49Å; Y886-W923 HydrophobicContact CE2-CZ3 4.26Å; P908-W923 HydrophobicContact CB-CE3 4.35Å; L919-W923 HydrophobicContact CD1-CZ2 4.4Å; L919-W923 HydrophobicContact CD2-CH2 4.27Å; L919-W923 HydrophobicContact CD2-CZ2 3.67Å; L919-W923 HydrophobicContact CG-CD2 4.5Å; L919-W923 HydrophobicContact CG-CH2 4.45Å; L919-W923 HydrophobicContact CG-CZ2 3.76Å; L919-W923 PolarHBondContact O-N 3.06Å; Y920-W923 AromaticContact CD2-CE3 3.97Å; Y920-W923 HydrophobicContact CD2-CE3 3.97Å; Y920-W923 HydrophobicContact CD2-CZ3 4.35Å; Y920-W923 PolarHBondContact O-N 3.44Å; Y920-W923 VanDerWaalsContact O-N 3.16Å; M921-W923 VanDerWaalsContact C-N 3.33Å; M921-W923 PolarHBondContact O-N 3.27Å; W923-D925 VanDerWaalsContact C-N 3.33Å; W923-L926 PolarHBondContact O-N 3.35Å; W923-L927 WeakPolarHBondContact O-CG 3.19Å; W923-L927 PolarHBondContact O-N 3.46Å; W923-L927 VanDerWaalsContact O-N 3.08Å |
| 924 | L | 93.1 | Very high | 85 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.4 | -61.2 | -174.4 | 0 | 0 | 0 | 111.5 | F661 I677 I680 M907 Y920 M921 S928 L936 | F661-L924 HydrophobicContact CE2-CB 4.09Å; I677-L924 HydrophobicContact CD1-CD1 4.42Å; I680-L924 HydrophobicContact CD1-CD1 3.98Å; M907-L924 HydrophobicContact CG-CD2 3.57Å; M907-L924 HydrophobicContact SD-CD2 3.97Å; Y920-L924 HydrophobicContact CD1-CD1 4.18Å; Y920-L924 HydrophobicContact CD1-CG 4.41Å; Y920-L924 HydrophobicContact CE1-CD1 3.71Å; Y920-L924 HydrophobicContact CE1-CD2 4.28Å; Y920-L924 HydrophobicContact CE1-CG 4.08Å; Y920-L924 HydrophobicContact CE2-CD2 4.48Å; Y920-L924 WeakPolarHBondContact O-CG 3.44Å; Y920-L924 PolarHBondContact O-N 3.04Å; M921-L924 PolarHBondContact O-N 3.27Å; L924-S928 WeakPolarHBondContact O-CB 3.48Å; L924-S928 PolarHBondContact O-N 3.11Å; L924-S928 PolarHBondContact O-OG 3.3Å; L924-L936 HydrophobicContact CB-CD1 4.24Å; L924-L936 HydrophobicContact CD2-CD1 4.15Å |
| 925 | D | 92.3 | Very high | 87 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.1 | -49.8 | 175.4 | -164.7 | 16.8 | 0 | 0 | 0 | 110.6 | F661 W665 R694 F862 M921 V922 W923 L927 S928 R929 | F661-D925 HydrophobicContact CZ-CB 4.04Å; W665-D925 HydrophobicContact CZ2-CB 4.35Å; W665-D925 PolarHBondContact NE1-OD2 2.94Å; R694-D925 IonicContact CZ-OD1 2.77Å; R694-D925 PolarHBondContact NH1-O 3.47Å; R694-D925 IonicContact NH1-OD1 3.35Å; R694-D925 PolarHBondContact NH1-OD1 3.47Å; R694-D925 IonicContact NH2-OD1 2.89Å; R694-D925 PolarHBondContact NH2-OD1 3.35Å; R694-D925 VanDerWaalsContact NH2-OD1 3.15Å; F862-D925 WeakPolarHBondContact CZ-OD2 3.34Å; M921-D925 PolarHBondContact O-N 3.17Å; V922-D925 PolarHBondContact O-N 3.35Å; W923-D925 VanDerWaalsContact C-N 3.33Å; D925-L927 VanDerWaalsContact C-N 3.3Å; D925-L927 PolarHBondContact O-N 2.72Å; D925-S928 PolarHBondContact O-N 3.36Å; D925-S928 PolarHBondContact O-OG 2.98Å; D925-R929 WeakPolarHBondContact O-CB 3.19Å; D925-R929 PolarHBondContact O-N 3.1Å |
| 926 | L | 91.7 | Very high | 88.8 | Confident | 16 Ų | 16 | 18.3 Ų | 18.3 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -52.7 | -45.6 | 179.3 | -174.8 | 70.4 | 0 | 0 | 0 | 112.5 | F859 I887 R890 V922 W923 S928 | F859-L926 HydrophobicContact CD2-CD1 3.99Å; F859-L926 HydrophobicContact CD2-CD2 4.07Å; F859-L926 HydrophobicContact CE2-CD2 4.04Å; I887-L926 HydrophobicContact CG1-CD2 3.81Å; R890-L926 VanDerWaalsContact CD-O 3.28Å; R890-L926 WeakPolarHBondContact CD-O 3.5Å; R890-L926 PolarHBondContact NH1-O 3.4Å; V922-L926 VanDerWaalsContact O-CB 3.25Å; V922-L926 WeakPolarHBondContact O-CB 3.47Å; V922-L926 PolarHBondContact O-N 3.28Å; W923-L926 PolarHBondContact O-N 3.35Å; L926-S928 VanDerWaalsContact C-N 3.31Å; L926-S928 PolarHBondContact O-N 2.97Å |
| 927 | L | 91.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -75.8 | -15 | -178.3 | -68.3 | 174.9 | 0 | 0 | 0 | 114.2 | Y886 T889 M893 I905 P908 W923 D925 L936 | Y886-L927 HydrophobicContact CD1-CD1 3.87Å; Y886-L927 HydrophobicContact CD1-CD2 4.25Å; Y886-L927 HydrophobicContact CD1-CG 4.43Å; Y886-L927 HydrophobicContact CE1-CD1 4.36Å; Y886-L927 HydrophobicContact CG-CD1 4.4Å; T889-L927 HydrophobicContact CG2-CD2 4.02Å; M893-L927 WeakPolarHBondContact CE-O 2.96Å; M893-L927 HydrophobicContact SD-CD2 4.46Å; I905-L927 HydrophobicContact CD1-CD2 4.14Å; P908-L927 HydrophobicContact CG-CD1 3.65Å; W923-L927 WeakPolarHBondContact O-CG 3.19Å; W923-L927 PolarHBondContact O-N 3.46Å; W923-L927 VanDerWaalsContact O-N 3.08Å; D925-L927 VanDerWaalsContact C-N 3.3Å; D925-L927 PolarHBondContact O-N 2.72Å; L927-L936 HydrophobicContact CB-CD2 4.2Å |
| 928 | S | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -120.3 | -13.7 | -172.6 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | R694 L924 D925 L926 | R694-S928 WeakPolarHBondContact CD-O 3.27Å; R694-S928 VanDerWaalsContact CD-OG 3.26Å; R694-S928 WeakPolarHBondContact CD-OG 2.95Å; R694-S928 PolarHBondContact NH1-OG 3.05Å; L924-S928 WeakPolarHBondContact O-CB 3.48Å; L924-S928 PolarHBondContact O-N 3.11Å; L924-S928 PolarHBondContact O-OG 3.3Å; D925-S928 PolarHBondContact O-N 3.36Å; D925-S928 PolarHBondContact O-OG 2.98Å; L926-S928 VanDerWaalsContact C-N 3.31Å; L926-S928 PolarHBondContact O-N 2.97Å |
| 929 | R | 87.6 | Confident | 91.1 | Very high | 80 Ų | 80 | 11.5 Ų | 11.5 | 30% | 0.302 | 6% | 0.058 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 141.8 | -179.6 | -169.2 | -172.2 | 165.2 | 170.3 | -3.5 | 111.4 | F862 R890 D925 F931 | F862-R929 VanDerWaalsContact CD2-NH1 3.3Å; R890-R929 PolarHBondContact NH1-O 3.35Å; D925-R929 WeakPolarHBondContact O-CB 3.19Å; D925-R929 PolarHBondContact O-N 3.1Å; R929-F931 VanDerWaalsContact C-N 3.3Å; R929-F931 VanDerWaalsContact O-CD2 3.23Å; R929-F931 WeakPolarHBondContact O-CD2 2.89Å; R929-F931 WeakPolarHBondContact O-CE2 3.26Å; R929-F931 PolarHBondContact O-N 2.89Å |
| 930 | D | 85.9 | Confident | 91.2 | Very high | 90 Ų | 90 | 12.5 Ų | 12.5 | 48% | 0.481 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 7.9 | 175.7 | -45.2 | -48.9 | 0 | 0 | 0 | 116.9 | R890 | R890-D930 IonicContact CZ-OD2 3.11Å; R890-D930 IonicContact NH1-OD2 2.69Å; R890-D930 IonicContact NH2-OD2 2.7Å; R890-D930 PolarHBondContact NH2-OD2 3.29Å |
| 931 | F | 88.4 | Confident | 91 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -102.9 | 151.9 | 173.3 | -60.8 | -71.1 | 0 | 0 | 0 | 112 | N696 M893 L894 V898 I903 R929 V934 | N696-F931 WeakPolarHBondContact CB-O 3.43Å; N696-F931 PolarHBondContact ND2-O 3.29Å; M893-F931 HydrophobicContact CB-CE1 3.97Å; M893-F931 HydrophobicContact CB-CE2 4.2Å; M893-F931 HydrophobicContact CB-CZ 3.42Å; M893-F931 VanDerWaalsContact CB-CZ 3.42Å; M893-F931 HydrophobicContact CE-CD2 4.36Å; M893-F931 HydrophobicContact CE-CE2 3.93Å; M893-F931 HydrophobicContact CE-CZ 4.21Å; L894-F931 HydrophobicContact CD2-CE1 3.95Å; L894-F931 HydrophobicContact CD2-CZ 3.74Å; L894-F931 HydrophobicContact CG-CE1 4.45Å; L894-F931 HydrophobicContact CG-CZ 3.95Å; V898-F931 HydrophobicContact CG2-CE1 4.14Å; I903-F931 HydrophobicContact CD1-CB 3.76Å; I903-F931 HydrophobicContact CD1-CD1 3.29Å; I903-F931 HydrophobicContact CD1-CD2 4.34Å; I903-F931 HydrophobicContact CD1-CE1 3.96Å; I903-F931 HydrophobicContact CD1-CG 3.53Å; R929-F931 VanDerWaalsContact C-N 3.3Å; R929-F931 VanDerWaalsContact O-CD2 3.23Å; R929-F931 WeakPolarHBondContact O-CD2 2.89Å; R929-F931 WeakPolarHBondContact O-CE2 3.26Å; R929-F931 PolarHBondContact O-N 2.89Å; F931-V934 HydrophobicContact CB-CG2 3.4Å; F931-V934 VanDerWaalsContact CB-CG2 3.4Å; F931-V934 HydrophobicContact CD2-CG2 4.06Å; F931-V934 HydrophobicContact CG-CG2 4.06Å |
| 932 | P | 82.1 | Confident | 90.7 | Very high | 35 Ų | 35 | 19 Ų | 19 | 23% | 0.227 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -61.2 | -53.8 | -176.4 | -23.9 | 33.6 | 0 | 0 | 0 | 113.9 | N696 | N696-P932 PolarHBondContact N-O 3.27Š|
| 933 | T | 90.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 125.6 | 176.1 | -49.3 | 0 | 0 | 0 | 0 | 109.4 | L693 R694 T695 F769 E901 L902 I903 | L693-T933 HydrophobicContact CD1-CG2 3.78Å; R694-T933 CarbonylContact O-C 3.58Å; R694-T933 WeakPolarHBondContact O-CA 3.22Å; T695-T933 HydrophobicContact CG2-CG2 3.88Å; F769-T933 HydrophobicContact CE1-CG2 4.42Å; F769-T933 HydrophobicContact CZ-CG2 4.12Å; E901-T933 WeakPolarHBondContact O-CB 3.45Å; E901-T933 PolarHBondContact O-OG1 2.78Å; L902-T933 HydrophobicContact CD1-CG2 3.72Å; I903-T933 PolarHBondContact N-O 3.09Å |
| 934 | V | 93.9 | Very high | 90 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.2 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | R694 I903 I905 F931 L936 | R694-V934 PolarHBondContact N-O 3.3Å; R694-V934 PolarHBondContact O-N 3.32Å; I903-V934 HydrophobicContact CB-CG2 4.35Å; I903-V934 CarbonylContact O-C 3.58Å; I903-V934 WeakPolarHBondContact O-CA 3.33Å; I905-V934 HydrophobicContact CG2-CG1 4.02Å; F931-V934 HydrophobicContact CB-CG2 3.4Å; F931-V934 VanDerWaalsContact CB-CG2 3.4Å; F931-V934 HydrophobicContact CD2-CG2 4.06Å; F931-V934 HydrophobicContact CG-CG2 4.06Å; V934-L936 HydrophobicContact CG1-CD2 4.39Å; V934-L936 HydrophobicContact CG1-CG 4.43Å |
| 935 | L | 95.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 106.3 | 169.7 | -172.7 | 75.2 | 0 | 0 | 0 | 108.7 | F579 L658 C691 L693 L793 L902 I903 V904 I905 V937 | F579-L935 HydrophobicContact CE1-CD1 3.73Å; F579-L935 HydrophobicContact CE1-CD2 4.11Å; F579-L935 HydrophobicContact CE1-CG 4.49Å; F579-L935 HydrophobicContact CZ-CD1 4.02Å; F579-L935 HydrophobicContact CZ-CD2 3.95Å; F579-L935 HydrophobicContact CZ-CG 4.4Å; L658-L935 HydrophobicContact CD1-CD1 4.1Å; C691-L935 HydrophobicContact CB-CD1 4.1Å; L693-L935 HydrophobicContact CB-CD1 4.15Å; L693-L935 HydrophobicContact CD1-CB 4.49Å; L693-L935 HydrophobicContact CD1-CD1 4.01Å; L793-L935 HydrophobicContact CD1-CD2 4.14Å; L902-L935 HydrophobicContact CD1-CB 4.26Å; I903-L935 PolarHBondContact O-N 3.45Å; V904-L935 WeakPolarHBondContact CA-O 3.34Å; V904-L935 HydrophobicContact CG1-CD2 4.28Å; V904-L935 HydrophobicContact CG2-CB 4.35Å; V904-L935 HydrophobicContact CG2-CD2 4.44Å; I905-L935 PolarHBondContact N-O 3.26Å; L935-V937 HydrophobicContact CB-CG2 4.42Å; L935-V937 HydrophobicContact CD2-CG2 3.4Å; L935-V937 HydrophobicContact CG-CG2 3.52Å |
| 936 | L | 96.2 | Very high | 89 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.3 | 170.3 | -56.9 | 158.7 | 0 | 0 | 0 | 107.2 | C691 V692 I905 M907 L924 L927 V934 | C691-L936 CarbonylContact C-O 3.54Å; C691-L936 VanDerWaalsContact CA-O 3.27Å; C691-L936 WeakPolarHBondContact CA-O 3.18Å; V692-L936 HydrophobicContact CB-CB 4.1Å; V692-L936 HydrophobicContact CB-CD1 3.97Å; V692-L936 HydrophobicContact CG1-CD1 4.18Å; V692-L936 PolarHBondContact N-O 3.49Å; V692-L936 PolarHBondContact O-N 2.71Å; I905-L936 HydrophobicContact CG2-CD2 3.59Å; I905-L936 WeakPolarHBondContact O-CA 3.3Å; M907-L936 HydrophobicContact CB-CB 4.03Å; M907-L936 HydrophobicContact CG-CB 4.01Å; M907-L936 HydrophobicContact SD-CB 4.11Å; L924-L936 HydrophobicContact CB-CD1 4.24Å; L924-L936 HydrophobicContact CD2-CD1 4.15Å; L927-L936 HydrophobicContact CB-CD2 4.2Å; V934-L936 HydrophobicContact CG1-CD2 4.39Å; V934-L936 HydrophobicContact CG1-CG 4.43Å |
| 937 | V | 95.9 | Very high | 88 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.5 | -175.1 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | V690 L789 L793 V904 I905 T906 M907 L935 | V690-V937 WeakPolarHBondContact O-CA 3.46Å; L789-V937 HydrophobicContact CB-CG1 4.42Å; L789-V937 HydrophobicContact CD2-CG1 4.04Å; L789-V937 HydrophobicContact CG-CG1 3.96Å; L793-V937 HydrophobicContact CD1-CG1 4.01Å; L793-V937 HydrophobicContact CD1-CG2 4.03Å; V904-V937 HydrophobicContact CG1-CB 4.35Å; V904-V937 HydrophobicContact CG1-CG2 3.63Å; I905-V937 PolarHBondContact O-N 3.42Å; T906-V937 CarbonylContact C-O 3.53Å; T906-V937 VanDerWaalsContact CA-O 3.29Å; T906-V937 WeakPolarHBondContact CA-O 3.43Å; M907-V937 PolarHBondContact N-O 3.49Å; L935-V937 HydrophobicContact CB-CG2 4.42Å; L935-V937 HydrophobicContact CD2-CG2 3.4Å; L935-V937 HydrophobicContact CG-CG2 3.52Å |
| 938 | R | 94.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 118.8 | 164.6 | -171.2 | 66.1 | 173 | -143.5 | -7.9 | 109.9 | E5 F684 G689 V690 M907 V909 | E5-R938 IonicContact OE1-CZ 3.95Å; E5-R938 VanDerWaalsContact OE1-CZ 3.28Å; E5-R938 IonicContact OE1-NH1 3.56Å; E5-R938 PolarHBondContact OE1-NH1 3.34Å; E5-R938 IonicContact OE1-NH2 3.65Å; E5-R938 PolarHBondContact OE1-NH2 3.47Å; F684-R938 HydrophobicContact CE1-CB 3.85Å; F684-R938 HydrophobicContact CE1-CG 3.73Å; F684-R938 HydrophobicContact CZ-CB 3.88Å; F684-R938 HydrophobicContact CZ-CG 3.9Å; G689-R938 CarbonylContact C-O 3.56Å; G689-R938 VanDerWaalsContact CA-O 3.26Å; G689-R938 WeakPolarHBondContact CA-O 3.4Å; V690-R938 PolarHBondContact N-O 3.29Å; V690-R938 PolarHBondContact O-N 3.33Å; M907-R938 HydrophobicContact CB-CB 4.11Å; M907-R938 HydrophobicContact CE-CB 4.2Å; V909-R938 HydrophobicContact CG2-CG 3.96Å; V909-R938 VanDerWaalsContact CG2-CZ 3.41Å; V909-R938 VanDerWaalsContact CG2-NH2 3.35Å |
| 939 | G | 91 | Very high | 84.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | trans | -74.2 | 170.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D786 Q941 | D786-G939 VanDerWaalsContact O-CA 3.26Å; D786-G939 WeakPolarHBondContact O-CA 3.18Å; D786-G939 PolarHBondContact OD2-N 3.13Å; G939-Q941 PolarHBondContact O-N 2.92Å | ||
| 940 | N | 88.2 | Confident | 84.4 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | trans | -85.8 | 16.8 | -178.7 | 69.3 | -9.1 | 0 | 0 | 0 | 113.7 | N687 Q942 | N687-N940 WeakPolarHBondContact O-CB 3.35Å; N687-N940 PolarHBondContact O-ND2 3.4Å; N940-Q942 PolarHBondContact ND2-OE1 3.34Å; N940-Q942 PolarHBondContact O-N 2.82Å; N940-Q942 WeakPolarHBondContact OD1-CB 3.47Å; N940-Q942 PolarHBondContact OD1-N 3.32Å; N940-Q942 VanDerWaalsContact OD1-N 3.13Å | ||
| 941 | Q | 86.4 | Confident | 84.4 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 66.7 | 2.3 | -176.3 | -56.4 | -61.5 | 6.9 | 0 | 0 | 117 | R26 P27 L29 L32 D785 G939 | R26-Q941 VanDerWaalsContact CD-O 3.25Å; R26-Q941 WeakPolarHBondContact CD-O 3.46Å; R26-Q941 VanDerWaalsContact CD-OE1 3.24Å; R26-Q941 PolarHBondContact NH1-O 3.01Å; P27-Q941 WeakPolarHBondContact O-CG 3.44Å; L29-Q941 HydrophobicContact CB-CG 4.46Å; L32-Q941 HydrophobicContact CD1-CG 3.98Å; D785-Q941 PolarHBondContact O-NE2 3.23Å; D785-Q941 PolarHBondContact O-OE1 3.05Å; D785-Q941 VanDerWaalsContact O-OE1 3.06Å; G939-Q941 PolarHBondContact O-N 2.92Å |
| 942 | Q | 84.6 | Confident | 84.1 | Confident | 124 Ų | 124 | 33.4 Ų | 33.4 | 58% | 0.579 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -81.1 | 139.6 | 166 | -63.6 | -178.8 | -24.1 | 0 | 0 | 110.4 | G787 N940 V944 | G787-Q942 VanDerWaalsContact CA-O 3.31Å; G787-Q942 WeakPolarHBondContact CA-O 3.48Å; N940-Q942 PolarHBondContact ND2-OE1 3.34Å; N940-Q942 PolarHBondContact O-N 2.82Å; N940-Q942 WeakPolarHBondContact OD1-CB 3.47Å; N940-Q942 PolarHBondContact OD1-N 3.32Å; N940-Q942 VanDerWaalsContact OD1-N 3.13Å; Q942-V944 PolarHBondContact O-N 2.92Å |
| 943 | S | 84.3 | Confident | 84.3 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | trans | -68 | 121.5 | -179.7 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | R26 V556 G787 | R26-S943 PolarHBondContact NH1-OG 3.31Å; R26-S943 VanDerWaalsContact NH1-OG 3.11Å; V556-S943 VanDerWaalsContact CG1-O 3.22Å; V556-S943 WeakPolarHBondContact CG1-O 3.44Å; V556-S943 WeakPolarHBondContact CG2-O 3.41Å; G787-S943 WeakPolarHBondContact O-CA 3.39Å | ||
| 944 | V | 85.2 | Confident | 83.8 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | trans | -100.3 | -15.3 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | Y559 G787 G788 L789 L792 Q942 | Y559-V944 HydrophobicContact CD1-CB 3.68Å; Y559-V944 HydrophobicContact CD1-CG1 3.95Å; Y559-V944 HydrophobicContact CD2-CB 4.28Å; Y559-V944 HydrophobicContact CD2-CG1 3.87Å; Y559-V944 HydrophobicContact CE1-CB 3.73Å; Y559-V944 HydrophobicContact CE1-CG1 3.6Å; Y559-V944 HydrophobicContact CE2-CB 4.31Å; Y559-V944 HydrophobicContact CE2-CG1 3.51Å; Y559-V944 HydrophobicContact CG-CB 3.97Å; Y559-V944 HydrophobicContact CG-CG1 4.07Å; G787-V944 WeakPolarHBondContact O-CG2 3.19Å; G787-V944 PolarHBondContact O-N 3Å; G788-V944 VanDerWaalsContact C-CG2 3.45Å; L789-V944 HydrophobicContact CB-CG2 4.3Å; L792-V944 HydrophobicContact CB-CG2 4.14Å; L792-V944 HydrophobicContact CD2-CB 4.04Å; L792-V944 HydrophobicContact CD2-CG2 3.85Å; Q942-V944 PolarHBondContact O-N 2.92Å | ||
| 945 | L | 83.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | trans | -118.5 | 147.8 | 174 | -72.8 | 170.7 | 0 | 0 | 0 | 109.7 | Y13 L791 L792 F835 | Y13-L945 WeakPolarHBondContact CD1-O 3.43Å; L791-L945 HydrophobicContact CB-CD1 4.26Å; L791-L945 HydrophobicContact CD2-CD1 3.89Å; L791-L945 HydrophobicContact CG-CD1 4.3Å; L792-L945 HydrophobicContact CB-CD1 4.3Å; L792-L945 HydrophobicContact CB-CG 4.34Å; L792-L945 HydrophobicContact CD1-CD2 3.95Å; F835-L945 HydrophobicContact CD1-CB 4.07Å; F835-L945 HydrophobicContact CD2-CD1 4.26Å; F835-L945 HydrophobicContact CE1-CB 3.91Å; F835-L945 HydrophobicContact CE2-CB 4.48Å; F835-L945 HydrophobicContact CG-CB 4.44Å; F835-L945 HydrophobicContact CG-CD1 4.44Å; F835-L945 HydrophobicContact CZ-CB 4.13Å | ||
| 946 | T | 79.1 | Confident | 82.3 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | trans | -150.9 | 151.8 | 172.9 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | V556 K557 Y948 | V556-T946 HydrophobicContact CB-CG2 4.08Å; V556-T946 HydrophobicContact CG1-CG2 3.83Å; K557-T946 HydrophobicContact CG-CG2 3.8Å; T946-Y948 WeakPolarHBondContact OG1-CD2 3.01Å; T946-Y948 PolarHBondContact OG1-N 3.45Å | ||
| 947 | F | 71.4 | Confident | 81.2 | Confident | 45 Ų | 45 | 42.8 Ų | 42.8 | 20% | 0.197 | 24% | 0.238 | C | C | . | . | trans | -106.2 | 10.5 | 174.1 | 53.5 | -102.5 | 0 | 0 | 0 | 112.5 | I10 R14 L831 K834 F835 | I10-F947 HydrophobicContact CD1-CE1 4.49Å; I10-F947 HydrophobicContact CD1-CZ 4.44Å; I10-F947 HydrophobicContact CG1-CE1 3.83Å; I10-F947 HydrophobicContact CG1-CZ 3.91Å; R14-F947 HydrophobicContact CG-CE2 4.44Å; R14-F947 HydrophobicContact CG-CZ 3.81Å; L831-F947 HydrophobicContact CD1-CE1 4.4Å; K834-F947 HydrophobicContact CB-CB 3.91Å; K834-F947 HydrophobicContact CB-CD1 4.25Å; K834-F947 HydrophobicContact CB-CG 4.15Å; K834-F947 HydrophobicContact CD-CG 4.41Å; F835-F947 HydrophobicContact CD1-CB 4.39Å; F835-F947 HydrophobicContact CD1-CD1 4.27Å; F835-F947 AromaticContact CE1-CD1 3.77Å; F835-F947 HydrophobicContact CE1-CD1 3.77Å; F835-F947 HydrophobicContact CZ-CD1 4.49Å | ||
| 948 | Y | 64.2 | Low | 80 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 31% | 0.314 | 26% | 0.258 | S | S | . | . | trans | -79.1 | 144.1 | 173.9 | -60.6 | -57.9 | 0 | 0 | 0 | 111.4 | Y13 R14 N15 K557 T946 | Y13-Y948 WeakPolarHBondContact O-CE2 3.24Å; R14-Y948 VanDerWaalsContact C-OH 3.27Å; R14-Y948 WeakPolarHBondContact CA-OH 3.33Å; R14-Y948 WeakPolarHBondContact CB-OH 3.41Å; R14-Y948 WeakPolarHBondContact CG-OH 3.4Å; N15-Y948 HydrophobicContact CB-CD2 4.44Å; N15-Y948 HydrophobicContact CB-CE2 3.93Å; N15-Y948 VanDerWaalsContact N-CZ 3.34Å; N15-Y948 PolarHBondContact N-OH 3.42Å; K557-Y948 WeakPolarHBondContact CE-O 3.48Å; K557-Y948 PolarHBondContact NZ-O 2.89Å; T946-Y948 WeakPolarHBondContact OG1-CD2 3.01Å; T946-Y948 PolarHBondContact OG1-N 3.45Å | ||
| 949 | S | 48.1 | Very low | 78.7 | Confident | 165 Ų | 165 | 50.5 Ų | 50.5 | 100% | 1.154 | 28% | 0.281 | S | S | * | . | trans | -83.5 | 0 | 171.5 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | K557 | K557-S949 VanDerWaalsContact CE-C 3.5Å; K557-S949 WeakPolarHBondContact CE-OXT 3.37Å; K557-S949 PolarHBondContact NZ-O 3.33Å; K557-S949 PolarHBondContact NZ-OXT 2.72Å |
Retrieved 949 of 949 residues in 405.4 ms
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