| 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 | 57 | Low | 82.7 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | 0 | 104.8 | 0 | -44.4 | -42.9 | -75.9 | 0 | 0 | 108 | Y5 W93 D303 | M1-Y5 HydrophobicContact CE-CE1 4.21Å; M1-W93 HydrophobicContact SD-CH2 3.53Å; M1-W93 VanDerWaalsContact SD-CH2 3.53Å; M1-W93 HydrophobicContact SD-CZ2 3.63Å; M1-D303 VanDerWaalsContact CA-OD1 3.25Å; M1-D303 WeakPolarHBondContact CA-OD1 3.42Å; M1-D303 WeakPolarHBondContact CE-OD2 3.42Å | |||
| 2 | T | 80.9 | Confident | 82.8 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 18% | 0.184 | 47% | 0.467 | C | S | . | . | trans | -75.5 | -33.8 | 168.8 | -76.1 | 0 | 0 | 0 | 0 | 110.2 | T4 D303 D304 E306 | T2-T4 VanDerWaalsContact C-N 3.34Å; T2-T4 PolarHBondContact O-N 2.99Å; T2-D303 PolarHBondContact N-OD1 3.3Å; T2-D304 WeakPolarHBondContact CB-O 3.49Å; T2-D304 PolarHBondContact OG1-O 3.01Å; T2-E306 HydrophobicContact CG2-CG 3.49Å; T2-E306 VanDerWaalsContact CG2-CG 3.49Å; T2-E306 VanDerWaalsContact CG2-OE1 3.29Å; T2-E306 WeakPolarHBondContact CG2-OE1 3.38Å | ||
| 3 | V | 87.1 | Confident | 82.9 | Confident | 8 Ų | 8 | 78.5 Ų | 78.5 | 5% | 0.048 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -78.3 | 85 | 168.6 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | Y5 K25 D302 D303 | V3-Y5 WeakPolarHBondContact O-CD1 3.22Å; V3-Y5 PolarHBondContact O-N 3.06Å; V3-K25 HydrophobicContact CG2-CD 4.16Å; V3-K25 HydrophobicContact CG2-CG 4.2Å; V3-D302 HydrophobicContact CG2-CB 4.29Å; V3-D302 WeakPolarHBondContact CG2-O 3.13Å; V3-D303 HydrophobicContact CB-CB 4.49Å; V3-D303 HydrophobicContact CG2-CB 3.9Å; V3-D303 PolarHBondContact N-OD1 2.93Å |
| 4 | T | 85.6 | Confident | 82.9 | Confident | 99 Ų | 99 | 85.2 Ų | 85.2 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | trans | -70.7 | 120.5 | -178.6 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | T2 R23 | T2-T4 VanDerWaalsContact C-N 3.34Å; T2-T4 PolarHBondContact O-N 2.99Å; T4-R23 PolarHBondContact O-NH1 3.07Å; T4-R23 PolarHBondContact O-NH2 3.03Å | ||
| 5 | Y | 89.7 | Confident | 83 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 34% | 0.337 | 48% | 0.484 | S | S | . | . | trans | -129.5 | 5.9 | 173.7 | 57.1 | -98.4 | 0 | 0 | 0 | 112.8 | M1 V3 L7 E8 C9 L20 | M1-Y5 HydrophobicContact CE-CE1 4.21Å; V3-Y5 WeakPolarHBondContact O-CD1 3.22Å; V3-Y5 PolarHBondContact O-N 3.06Å; Y5-L7 PolarHBondContact O-N 2.82Å; Y5-L7 VanDerWaalsContact O-N 3.14Å; Y5-E8 WeakPolarHBondContact O-CB 3.5Å; Y5-E8 PolarHBondContact O-N 3.24Å; Y5-C9 PolarHBondContact O-N 2.86Å; Y5-L20 HydrophobicContact CD2-CD1 4.49Å; Y5-L20 HydrophobicContact CD2-CD2 4.14Å; Y5-L20 HydrophobicContact CG-CD2 4.14Å | ||
| 6 | S | 87.2 | Confident | 83.2 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 61% | 0.608 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -34.7 | -176.4 | -40.7 | 0 | 0 | 0 | 0 | 113.5 | C9 S10 | S6-C9 CarbonylContact O-C 3.56Å; S6-C9 PolarHBondContact O-N 3.49Å; S6-S10 PolarHBondContact O-N 2.74Å |
| 7 | L | 86.2 | Confident | 83.3 | Confident | 148 Ų | 148 | 82 Ų | 82 | 78% | 0.775 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -38.9 | 175.1 | -179.2 | 61.4 | 0 | 0 | 0 | 112.2 | Y5 C9 S10 | Y5-L7 PolarHBondContact O-N 2.82Å; Y5-L7 VanDerWaalsContact O-N 3.14Å; L7-C9 VanDerWaalsContact C-N 3.26Å; L7-C9 PolarHBondContact O-N 3.19Å; L7-S10 WeakPolarHBondContact O-CB 3.24Å; L7-S10 PolarHBondContact O-N 2.93Å; L7-S10 PolarHBondContact O-OG 3.44Å |
| 8 | E | 85.3 | Confident | 83.5 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 29% | 0.294 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -32.1 | 175.8 | -60.5 | -177 | -124.9 | 0 | 0 | 111.5 | Y5 T16 R23 | Y5-E8 WeakPolarHBondContact O-CB 3.5Å; Y5-E8 PolarHBondContact O-N 3.24Å; E8-T16 WeakPolarHBondContact O-CG2 3.28Å; E8-R23 IonicContact OE1-CZ 2.73Å; E8-R23 IonicContact OE1-NH1 2.73Å; E8-R23 PolarHBondContact OE1-NH1 2.95Å |
| 9 | C | 85 | Confident | 83.7 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 30% | 0.304 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0 | 178.8 | -62.5 | 0 | 0 | 0 | 0 | 114.9 | Y5 S6 L7 T11 T16 | Y5-C9 PolarHBondContact O-N 2.86Å; S6-C9 CarbonylContact O-C 3.56Å; S6-C9 PolarHBondContact O-N 3.49Å; L7-C9 VanDerWaalsContact C-N 3.26Å; L7-C9 PolarHBondContact O-N 3.19Å; C9-T11 PolarHBondContact O-N 2.99Å; C9-T11 VanDerWaalsContact O-N 3.1Å; C9-T16 HydrophobicContact CB-CG2 4.45Å |
| 10 | S | 84.6 | Confident | 84 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 57% | 0.573 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -61.7 | -17.1 | -179.4 | 62 | 0 | 0 | 0 | 0 | 114.5 | S6 L7 | S6-S10 PolarHBondContact O-N 2.74Å; L7-S10 WeakPolarHBondContact O-CB 3.24Å; L7-S10 PolarHBondContact O-N 2.93Å; L7-S10 PolarHBondContact O-OG 3.44Å |
| 11 | T | 81.4 | Confident | 84.3 | Confident | 87 Ų | 87 | 83.5 Ų | 83.5 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -134.1 | 136.4 | 176.9 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | C9 T13 T16 | C9-T11 PolarHBondContact O-N 2.99Å; C9-T11 VanDerWaalsContact O-N 3.1Å; T11-T13 PolarHBondContact O-N 2.79Å; T11-T13 VanDerWaalsContact O-N 3.08Å; T11-T16 PolarHBondContact O-OG1 3.43Å |
| 12 | S | 83.9 | Confident | 85.8 | Confident | 127 Ų | 127 | 86.1 Ų | 86.1 | 89% | 0.888 | 48% | 0.479 | S | S | * | . | trans | -83 | 73.5 | -179 | 46.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 13 | T | 84.6 | Confident | 86.3 | Confident | 67 Ų | 67 | 88.1 Ų | 88.1 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | trans | -93.9 | 154.4 | 172.7 | 79.3 | 0 | 0 | 0 | 0 | 111.4 | T11 A15 T16 | T11-T13 PolarHBondContact O-N 2.79Å; T11-T13 VanDerWaalsContact O-N 3.08Å; T13-A15 PolarHBondContact O-N 2.79Å; T13-A15 PolarHBondContact OG1-N 2.52Å; T13-T16 PolarHBondContact N-OG1 2.75Å; T13-T16 WeakPolarHBondContact O-CB 3.36Å; T13-T16 PolarHBondContact O-N 2.74Å; T13-T16 PolarHBondContact O-OG1 2.85Å; T13-T16 PolarHBondContact OG1-N 3.5Å; T13-T16 PolarHBondContact OG1-OG1 3.45Å | ||
| 14 | L | 82.5 | Confident | 86.5 | Confident | 173 Ų | 173 | 94.7 Ų | 94.7 | 91% | 0.906 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -29.5 | 173.4 | -175.1 | 68.2 | 0 | 0 | 0 | 112.9 | ||
| 15 | A | 84.3 | Confident | 86.7 | Confident | 42 Ų | 42 | 94.5 Ų | 94.5 | 35% | 0.347 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -6.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T13 F17 L18 K19 | T13-A15 PolarHBondContact O-N 2.79Å; T13-A15 PolarHBondContact OG1-N 2.52Å; A15-F17 PolarHBondContact O-N 2.67Å; A15-L18 PolarHBondContact O-N 3.09Å; A15-L18 VanDerWaalsContact O-N 3.12Å; A15-K19 WeakPolarHBondContact O-CG 3.4Å; A15-K19 PolarHBondContact O-N 3.21Å |
| 16 | T | 86.2 | Confident | 86.6 | Confident | 7 Ų | 7 | 91.9 Ų | 91.9 | 4% | 0.043 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | -169.7 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | E8 C9 T11 T13 | E8-T16 WeakPolarHBondContact O-CG2 3.28Å; C9-T16 HydrophobicContact CB-CG2 4.45Å; T11-T16 PolarHBondContact O-OG1 3.43Å; T13-T16 PolarHBondContact N-OG1 2.75Å; T13-T16 WeakPolarHBondContact O-CB 3.36Å; T13-T16 PolarHBondContact O-N 2.74Å; T13-T16 PolarHBondContact O-OG1 2.85Å; T13-T16 PolarHBondContact OG1-N 3.5Å; T13-T16 PolarHBondContact OG1-OG1 3.45Å |
| 17 | F | 84.9 | Confident | 86.9 | Confident | 152 Ų | 152 | 88.3 Ų | 88.3 | 67% | 0.667 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -77.6 | -23.3 | 175.7 | -72.4 | 1.4 | 0 | 0 | 0 | 113.4 | A15 K19 L20 L21 | A15-F17 PolarHBondContact O-N 2.67Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 2.96Å; F17-L20 HydrophobicContact CD1-CD1 3.92Å; F17-L20 HydrophobicContact CE1-CD1 4.46Å; F17-L20 PolarHBondContact O-N 2.84Å; F17-L21 PolarHBondContact O-N 2.97Å |
| 18 | L | 87.2 | Confident | 87.2 | Confident | 106 Ų | 106 | 84 Ų | 84 | 56% | 0.555 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.1 | -30.9 | 175 | -65.5 | 177.9 | 0 | 0 | 0 | 112.3 | A15 L21 | A15-L18 PolarHBondContact O-N 3.09Å; A15-L18 VanDerWaalsContact O-N 3.12Å; L18-L21 HydrophobicContact CD2-CD1 4.32Å |
| 19 | K | 86.2 | Confident | 87.5 | Confident | 107 Ų | 107 | 85.1 Ų | 85.1 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 171.6 | -70.1 | 171.6 | -178.6 | 177.7 | 0 | 112 | A15 F17 L21 I22 | A15-K19 WeakPolarHBondContact O-CG 3.4Å; A15-K19 PolarHBondContact O-N 3.21Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 2.96Å; K19-L21 PolarHBondContact O-N 3.06Å; K19-I22 WeakPolarHBondContact O-CB 3.47Å; K19-I22 PolarHBondContact O-N 2.86Å |
| 20 | L | 89.7 | Confident | 87.9 | Confident | 44 Ų | 44 | 86.7 Ų | 86.7 | 23% | 0.23 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60 | -35.5 | -179.5 | -57.4 | 179.4 | 0 | 0 | 0 | 112.1 | Y5 F17 I22 R23 | Y5-L20 HydrophobicContact CD2-CD1 4.49Å; Y5-L20 HydrophobicContact CD2-CD2 4.14Å; Y5-L20 HydrophobicContact CG-CD2 4.14Å; F17-L20 HydrophobicContact CD1-CD1 3.92Å; F17-L20 HydrophobicContact CE1-CD1 4.46Å; F17-L20 PolarHBondContact O-N 2.84Å; L20-I22 PolarHBondContact O-N 2.97Å; L20-I22 VanDerWaalsContact O-N 3.14Å; L20-R23 WeakPolarHBondContact O-CB 3.25Å; L20-R23 PolarHBondContact O-N 3.44Å; L20-R23 VanDerWaalsContact O-N 3.13Å |
| 21 | L | 90.1 | Very high | 88.3 | Confident | 102 Ų | 102 | 85 Ų | 85 | 53% | 0.534 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -7.4 | 176.1 | -64.3 | 177.4 | 0 | 0 | 0 | 114.5 | F17 L18 K19 Y29 | F17-L21 PolarHBondContact O-N 2.97Å; L18-L21 HydrophobicContact CD2-CD1 4.32Å; K19-L21 PolarHBondContact O-N 3.06Å; L21-Y29 VanDerWaalsContact O-CE2 3.28Å; L21-Y29 WeakPolarHBondContact O-CE2 3.4Å; L21-Y29 PolarHBondContact O-OH 3.32Å; L21-Y29 VanDerWaalsContact O-OH 3.11Å |
| 22 | I | 89.9 | Confident | 88.9 | Confident | 147 Ų | 147 | 81.1 Ų | 81.1 | 75% | 0.754 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -13.4 | 176.9 | -56.8 | 172.1 | 0 | 0 | 0 | 111 | K19 L20 | K19-I22 WeakPolarHBondContact O-CB 3.47Å; K19-I22 PolarHBondContact O-N 2.86Å; L20-I22 PolarHBondContact O-N 2.97Å; L20-I22 VanDerWaalsContact O-N 3.14Å |
| 23 | R | 90 | Very high | 89.3 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | trans | -76.1 | 139.9 | -175.9 | -166.8 | 164.3 | 169.4 | 152.2 | -8.2 | 111.1 | T4 E8 L20 S27 | T4-R23 PolarHBondContact O-NH1 3.07Å; T4-R23 PolarHBondContact O-NH2 3.03Å; E8-R23 IonicContact OE1-CZ 2.73Å; E8-R23 IonicContact OE1-NH1 2.73Å; E8-R23 PolarHBondContact OE1-NH1 2.95Å; L20-R23 WeakPolarHBondContact O-CB 3.25Å; L20-R23 PolarHBondContact O-N 3.44Å; L20-R23 VanDerWaalsContact O-N 3.13Å; R23-S27 WeakPolarHBondContact O-CB 3.27Å | ||
| 24 | W | 92.1 | Very high | 89.8 | Confident | 146 Ų | 146 | 83.2 Ų | 83.2 | 55% | 0.553 | 40% | 0.399 | S | S | * | . | trans | -105.1 | -41.4 | -176.7 | -177.5 | -101.2 | 0 | 0 | 0 | 115 | G26 S27 K30 | W24-G26 PolarHBondContact O-N 3.03Å; W24-S27 WeakPolarHBondContact O-CB 3.22Å; W24-S27 PolarHBondContact O-N 2.93Å; W24-S27 PolarHBondContact O-OG 3.48Å; W24-K30 HydrophobicContact CD2-CB 4.37Å; W24-K30 HydrophobicContact CH2-CB 4.41Å; W24-K30 HydrophobicContact CZ2-CB 4.02Å; W24-K30 HydrophobicContact CZ2-CG 4.26Å | ||
| 25 | K | 90.4 | Very high | 90.3 | Very high | 94 Ų | 94 | 77.2 Ų | 77.2 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 130.4 | 173.5 | -165.5 | -167.4 | 175.8 | -167.2 | 0 | 109 | V3 S27 D302 | V3-K25 HydrophobicContact CG2-CD 4.16Å; V3-K25 HydrophobicContact CG2-CG 4.2Å; K25-S27 PolarHBondContact O-N 2.95Å; K25-D302 WeakPolarHBondContact CA-OD2 3.47Å; K25-D302 WeakPolarHBondContact CE-O 3.46Å; K25-D302 WeakPolarHBondContact CE-OD1 3.47Å; K25-D302 HydrophobicContact CG-CB 3.92Å; K25-D302 WeakPolarHBondContact CG-OD2 3.49Å; K25-D302 PolarHBondContact NZ-O 2.94Å |
| 26 | G | 87.3 | Confident | 90.8 | Very high | 32 Ų | 32 | 76.3 Ų | 76.3 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 16.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W24 D302 | W24-G26 PolarHBondContact O-N 3.03Å; G26-D302 PolarHBondContact N-OD2 2.87Å |
| 27 | S | 92.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 80.8 Ų | 80.8 | 8% | 0.077 | 38% | 0.381 | C | S | . | . | trans | -87.6 | 146.7 | -172.2 | 73.4 | 0 | 0 | 0 | 0 | 113.6 | R23 W24 K25 Y29 K30 L31 | R23-S27 WeakPolarHBondContact O-CB 3.27Å; W24-S27 WeakPolarHBondContact O-CB 3.22Å; W24-S27 PolarHBondContact O-N 2.93Å; W24-S27 PolarHBondContact O-OG 3.48Å; K25-S27 PolarHBondContact O-N 2.95Å; S27-Y29 PolarHBondContact O-N 3.38Å; S27-Y29 VanDerWaalsContact O-N 3.12Å; S27-K30 PolarHBondContact O-N 2.91Å; S27-K30 PolarHBondContact OG-N 2.68Å; S27-K30 VanDerWaalsContact OG-N 3.13Å; S27-L31 PolarHBondContact O-N 3.45Å; S27-L31 VanDerWaalsContact O-N 3.14Å | ||
| 28 | I | 92.2 | Very high | 91.7 | Very high | 59 Ų | 59 | 78.3 Ų | 78.3 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -47.3 | -36 | 166.6 | -169.6 | 159.6 | 0 | 0 | 0 | 112.6 | L31 M32 V282 | I28-L31 PolarHBondContact O-N 2.85Å; I28-M32 HydrophobicContact CD1-CE 4.19Å; I28-M32 HydrophobicContact CG1-CE 3.47Å; I28-M32 VanDerWaalsContact CG1-CE 3.47Å; I28-M32 VanDerWaalsContact O-CG 3.32Å; I28-M32 WeakPolarHBondContact O-CG 3.44Å; I28-M32 PolarHBondContact O-N 3.39Å; I28-V282 HydrophobicContact CD1-CG1 4.07Å; I28-V282 HydrophobicContact CG1-CG1 4.48Å |
| 29 | Y | 92.1 | Very high | 92.1 | Very high | 85 Ų | 85 | 73.9 Ų | 73.9 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 178.5 | -44.7 | -68.6 | 0 | 0 | 0 | 112.3 | L21 S27 L31 M32 Y33 | L21-Y29 VanDerWaalsContact O-CE2 3.28Å; L21-Y29 WeakPolarHBondContact O-CE2 3.4Å; L21-Y29 PolarHBondContact O-OH 3.32Å; L21-Y29 VanDerWaalsContact O-OH 3.11Å; S27-Y29 PolarHBondContact O-N 3.38Å; S27-Y29 VanDerWaalsContact O-N 3.12Å; Y29-L31 PolarHBondContact O-N 2.71Å; Y29-M32 PolarHBondContact O-N 3.11Å; Y29-Y33 WeakPolarHBondContact O-CB 3.15Å; Y29-Y33 PolarHBondContact O-N 3.2Å; Y29-Y33 VanDerWaalsContact O-N 3.08Å |
| 30 | K | 93.8 | Very high | 92.5 | Very high | 79 Ų | 79 | 71.8 Ų | 71.8 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -31.2 | 177.2 | -177.5 | 179.2 | 165.4 | 179.5 | 0 | 111.8 | W24 S27 Y33 D302 | W24-K30 HydrophobicContact CD2-CB 4.37Å; W24-K30 HydrophobicContact CH2-CB 4.41Å; W24-K30 HydrophobicContact CZ2-CB 4.02Å; W24-K30 HydrophobicContact CZ2-CG 4.26Å; S27-K30 PolarHBondContact O-N 2.91Å; S27-K30 PolarHBondContact OG-N 2.68Å; S27-K30 VanDerWaalsContact OG-N 3.13Å; K30-Y33 VanDerWaalsContact O-CD1 3.31Å; K30-Y33 WeakPolarHBondContact O-CD1 3.23Å; K30-D302 WeakPolarHBondContact CD-OD2 3.48Å; K30-D302 WeakPolarHBondContact CE-OD2 3.48Å; K30-D302 IonicContact NZ-OD1 2.9Å; K30-D302 PolarHBondContact NZ-OD1 2.76Å; K30-D302 IonicContact NZ-OD2 2.86Å; K30-D302 PolarHBondContact NZ-OD2 2.88Å |
| 31 | L | 92.9 | Very high | 92.8 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -77.3 | -22.5 | 178.6 | -68 | 175 | 0 | 0 | 0 | 114.8 | S27 I28 Y29 K289 | S27-L31 PolarHBondContact O-N 3.45Å; S27-L31 VanDerWaalsContact O-N 3.14Å; I28-L31 PolarHBondContact O-N 2.85Å; Y29-L31 PolarHBondContact O-N 2.71Å; L31-K289 HydrophobicContact CB-CB 4.08Å; L31-K289 HydrophobicContact CB-CD 4.27Å; L31-K289 HydrophobicContact CB-CG 4.21Å; L31-K289 HydrophobicContact CD1-CB 4.35Å; L31-K289 WeakPolarHBondContact O-CD 3.41Å; L31-K289 WeakPolarHBondContact O-CE 3.37Å |
| 32 | M | 93.4 | Very high | 93 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -122.9 | -3 | -173.3 | 78.1 | 176 | 47.2 | 0 | 0 | 116.6 | I28 Y29 K34 E35 A36 F281 V282 | I28-M32 HydrophobicContact CD1-CE 4.19Å; I28-M32 HydrophobicContact CG1-CE 3.47Å; I28-M32 VanDerWaalsContact CG1-CE 3.47Å; I28-M32 VanDerWaalsContact O-CG 3.32Å; I28-M32 WeakPolarHBondContact O-CG 3.44Å; I28-M32 PolarHBondContact O-N 3.39Å; Y29-M32 PolarHBondContact O-N 3.11Å; M32-K34 PolarHBondContact O-N 3.24Å; M32-K34 VanDerWaalsContact O-N 3.14Å; M32-E35 PolarHBondContact O-N 3.26Å; M32-A36 WeakPolarHBondContact O-CB 3.48Å; M32-A36 PolarHBondContact O-N 2.88Å; M32-F281 HydrophobicContact SD-CD1 4.22Å; M32-F281 HydrophobicContact SD-CE1 4.25Å; M32-V282 HydrophobicContact CE-CG1 4.49Å; M32-V282 HydrophobicContact SD-CB 4.3Å; M32-V282 HydrophobicContact SD-CG1 4.45Å; M32-V282 HydrophobicContact SD-CG2 3.96Å |
| 33 | Y | 93.3 | Very high | 93.3 | Very high | 112 Ų | 112 | 64.6 Ų | 64.6 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.3 | -31.2 | -169.6 | 76.9 | -80.2 | 0 | 0 | 0 | 113.6 | Y29 K30 I37 | Y29-Y33 WeakPolarHBondContact O-CB 3.15Å; Y29-Y33 PolarHBondContact O-N 3.2Å; Y29-Y33 VanDerWaalsContact O-N 3.08Å; K30-Y33 VanDerWaalsContact O-CD1 3.31Å; K30-Y33 WeakPolarHBondContact O-CD1 3.23Å; Y33-I37 HydrophobicContact CD2-CD1 4.12Å; Y33-I37 WeakPolarHBondContact O-CB 3.01Å; Y33-I37 WeakPolarHBondContact O-CD1 3.18Å; Y33-I37 WeakPolarHBondContact O-CG1 3.43Å; Y33-I37 PolarHBondContact O-N 3.24Å |
| 34 | K | 94.6 | Very high | 93.5 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 54% | 0.543 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -51.5 | 178.5 | -60.1 | 171.9 | -175.3 | 166.9 | 0 | 110.3 | M32 A36 I37 I38 | M32-K34 PolarHBondContact O-N 3.24Å; M32-K34 VanDerWaalsContact O-N 3.14Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 2.81Å; K34-I37 PolarHBondContact O-N 2.91Å; K34-I38 VanDerWaalsContact O-CG1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.45Å; K34-I38 PolarHBondContact O-N 3.21Å |
| 35 | E | 94.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 62 Ų | 62 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 179.8 | -60.5 | 92 | 150.8 | 0 | 0 | 111.3 | M32 I38 Y39 F281 M285 K289 | M32-E35 PolarHBondContact O-N 3.26Å; E35-I38 PolarHBondContact O-N 3.45Å; E35-Y39 VanDerWaalsContact O-CB 3.32Å; E35-Y39 WeakPolarHBondContact O-CB 3.48Å; E35-Y39 PolarHBondContact O-N 2.7Å; E35-F281 HydrophobicContact CB-CZ 3.95Å; E35-M285 HydrophobicContact CB-CE 4.18Å; E35-M285 HydrophobicContact CG-CE 3.88Å; E35-K289 WeakPolarHBondContact OE1-CE 3.41Å; E35-K289 IonicContact OE1-NZ 2.86Å; E35-K289 PolarHBondContact OE1-NZ 3.06Å |
| 36 | A | 93.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M32 K34 Y39 L40 F281 | M32-A36 WeakPolarHBondContact O-CB 3.48Å; M32-A36 PolarHBondContact O-N 2.88Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 2.81Å; A36-Y39 PolarHBondContact O-N 2.93Å; A36-L40 VanDerWaalsContact O-CB 3.3Å; A36-L40 WeakPolarHBondContact O-CB 3.49Å; A36-L40 VanDerWaalsContact O-CG 3.24Å; A36-L40 WeakPolarHBondContact O-CG 3.48Å; A36-L40 PolarHBondContact O-N 3.27Å; A36-F281 HydrophobicContact CB-CD1 4.38Å; A36-F281 HydrophobicContact CB-CE1 3.84Å |
| 37 | I | 95.3 | Very high | 94.1 | Very high | 101 Ų | 101 | 58.3 Ų | 58.3 | 52% | 0.518 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.3 | -72.9 | 165 | 0 | 0 | 0 | 110.8 | Y33 K34 S41 | Y33-I37 HydrophobicContact CD2-CD1 4.12Å; Y33-I37 WeakPolarHBondContact O-CB 3.01Å; Y33-I37 WeakPolarHBondContact O-CD1 3.18Å; Y33-I37 WeakPolarHBondContact O-CG1 3.43Å; Y33-I37 PolarHBondContact O-N 3.24Å; K34-I37 PolarHBondContact O-N 2.91Å; I37-S41 VanDerWaalsContact O-CB 3.26Å; I37-S41 WeakPolarHBondContact O-CB 3.33Å; I37-S41 PolarHBondContact O-N 3.4Å; I37-S41 PolarHBondContact O-OG 2.93Å |
| 38 | I | 95.7 | Very high | 94.2 | Very high | 101 Ų | 101 | 61 Ų | 61 | 52% | 0.518 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 177 | -68.2 | 162.7 | 0 | 0 | 0 | 110.6 | K34 E35 L40 S41 L42 | K34-I38 VanDerWaalsContact O-CG1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.45Å; K34-I38 PolarHBondContact O-N 3.21Å; E35-I38 PolarHBondContact O-N 3.45Å; I38-L40 PolarHBondContact O-N 2.81Å; I38-S41 PolarHBondContact O-N 3.32Å; I38-L42 HydrophobicContact CG2-CD1 3.93Å; I38-L42 HydrophobicContact CG2-CG 4.49Å; I38-L42 WeakPolarHBondContact O-CG 3.45Å; I38-L42 PolarHBondContact O-N 3.1Å |
| 39 | Y | 95.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 61 Ų | 61 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 179.5 | -177.3 | -86.8 | 0 | 0 | 0 | 111.9 | E35 A36 S41 L42 Y43 F248 S251 L252 T277 F281 | E35-Y39 VanDerWaalsContact O-CB 3.32Å; E35-Y39 WeakPolarHBondContact O-CB 3.48Å; E35-Y39 PolarHBondContact O-N 2.7Å; A36-Y39 PolarHBondContact O-N 2.93Å; Y39-S41 VanDerWaalsContact C-N 3.34Å; Y39-S41 PolarHBondContact O-N 2.96Å; Y39-L42 PolarHBondContact O-N 3.48Å; Y39-Y43 WeakPolarHBondContact O-CB 3.26Å; Y39-Y43 PolarHBondContact O-N 3.11Å; Y39-F248 HydrophobicContact CD2-CB 4.3Å; Y39-F248 HydrophobicContact CE2-CB 4.04Å; Y39-F248 HydrophobicContact CE2-CD1 4.05Å; Y39-F248 HydrophobicContact CE2-CG 4.45Å; Y39-S251 PolarHBondContact OH-OG 3.32Å; Y39-L252 HydrophobicContact CD2-CD2 3.78Å; Y39-L252 HydrophobicContact CD2-CG 4.09Å; Y39-L252 HydrophobicContact CE1-CD2 4.38Å; Y39-L252 HydrophobicContact CE2-CD2 3.58Å; Y39-L252 HydrophobicContact CE2-CG 3.7Å; Y39-L252 HydrophobicContact CG-CD2 4.26Å; Y39-T277 HydrophobicContact CE1-CG2 4.35Å; Y39-T277 WeakPolarHBondContact OH-CG2 3.45Å; Y39-F281 HydrophobicContact CD1-CD2 4.3Å; Y39-F281 HydrophobicContact CD2-CD2 4.1Å; Y39-F281 HydrophobicContact CD2-CE2 4.04Å; Y39-F281 AromaticContact CG-CD2 3.96Å; Y39-F281 HydrophobicContact CG-CD2 3.96Å; Y39-F281 AromaticContact CG-CE2 3.91Å; Y39-F281 HydrophobicContact CG-CE2 3.91Å |
| 40 | L | 94.5 | Very high | 94.4 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 178.1 | -72.6 | 170.9 | 0 | 0 | 0 | 112.4 | A36 I38 T44 I278 | A36-L40 VanDerWaalsContact O-CB 3.3Å; A36-L40 WeakPolarHBondContact O-CB 3.49Å; A36-L40 VanDerWaalsContact O-CG 3.24Å; A36-L40 WeakPolarHBondContact O-CG 3.48Å; A36-L40 PolarHBondContact O-N 3.27Å; I38-L40 PolarHBondContact O-N 2.81Å; L40-T44 VanDerWaalsContact O-CB 3.27Å; L40-T44 WeakPolarHBondContact O-CB 3.18Å; L40-T44 PolarHBondContact O-N 3.25Å; L40-T44 PolarHBondContact O-OG1 2.93Å; L40-I278 HydrophobicContact CD2-CD1 3.75Å; L40-I278 HydrophobicContact CD2-CG1 3.95Å |
| 41 | S | 95.2 | Very high | 94.2 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -49 | 176.3 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | I37 I38 Y39 T44 I45 | I37-S41 VanDerWaalsContact O-CB 3.26Å; I37-S41 WeakPolarHBondContact O-CB 3.33Å; I37-S41 PolarHBondContact O-N 3.4Å; I37-S41 PolarHBondContact O-OG 2.93Å; I38-S41 PolarHBondContact O-N 3.32Å; Y39-S41 VanDerWaalsContact C-N 3.34Å; Y39-S41 PolarHBondContact O-N 2.96Å; S41-T44 PolarHBondContact O-N 2.98Å; S41-I45 WeakPolarHBondContact O-CD1 3.23Å; S41-I45 VanDerWaalsContact O-CG1 3.25Å; S41-I45 WeakPolarHBondContact O-CG1 3.43Å; S41-I45 PolarHBondContact O-N 3.21Å |
| 42 | L | 95.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 62 Ų | 62 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 177.6 | -69.2 | 172.6 | 0 | 0 | 0 | 112 | I38 Y39 T44 I45 L46 L252 | I38-L42 HydrophobicContact CG2-CD1 3.93Å; I38-L42 HydrophobicContact CG2-CG 4.49Å; I38-L42 WeakPolarHBondContact O-CG 3.45Å; I38-L42 PolarHBondContact O-N 3.1Å; Y39-L42 PolarHBondContact O-N 3.48Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 3.37Å; L42-I45 PolarHBondContact O-N 2.76Å; L42-L46 WeakPolarHBondContact O-CG 3.27Å; L42-L46 PolarHBondContact O-N 3.26Å; L42-L252 HydrophobicContact CB-CD1 4.09Å; L42-L252 HydrophobicContact CB-CD2 3.88Å; L42-L252 HydrophobicContact CD1-CD1 4.03Å |
| 43 | Y | 95.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 175.4 | 178.9 | -84.9 | 0 | 0 | 0 | 111.6 | Y39 L46 S47 R255 Q256 P274 | Y39-Y43 WeakPolarHBondContact O-CB 3.26Å; Y39-Y43 PolarHBondContact O-N 3.11Å; Y43-L46 PolarHBondContact O-N 3.11Å; Y43-S47 WeakPolarHBondContact O-CB 3.49Å; Y43-S47 PolarHBondContact O-N 2.9Å; Y43-R255 WeakPolarHBondContact CE2-O 3.46Å; Y43-R255 PolarHBondContact OH-O 2.91Å; Y43-R255 VanDerWaalsContact OH-O 3.13Å; Y43-Q256 VanDerWaalsContact CD2-NE2 3.27Å; Y43-Q256 HydrophobicContact CE2-CG 4.34Å; Y43-Q256 PolarHBondContact O-NE2 2.89Å; Y43-Q256 VanDerWaalsContact O-NE2 3.14Å; Y43-P274 HydrophobicContact CD1-CG 3.95Å; Y43-P274 HydrophobicContact CD2-CG 4.13Å; Y43-P274 HydrophobicContact CE1-CB 4.34Å; Y43-P274 VanDerWaalsContact CE1-CD 3.48Å; Y43-P274 HydrophobicContact CE1-CG 3.65Å; Y43-P274 HydrophobicContact CE2-CB 4.09Å; Y43-P274 HydrophobicContact CE2-CG 3.81Å; Y43-P274 HydrophobicContact CG-CG 4.21Å |
| 44 | T | 93.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 180 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | L40 S41 L42 L46 S47 L48 | L40-T44 VanDerWaalsContact O-CB 3.27Å; L40-T44 WeakPolarHBondContact O-CB 3.18Å; L40-T44 PolarHBondContact O-N 3.25Å; L40-T44 PolarHBondContact O-OG1 2.93Å; S41-T44 PolarHBondContact O-N 2.98Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 3.37Å; T44-L46 PolarHBondContact O-N 2.92Å; T44-S47 PolarHBondContact O-N 3Å; T44-L48 HydrophobicContact CG2-CD1 4.11Å; T44-L48 HydrophobicContact CG2-CG 4.36Å; T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 VanDerWaalsContact O-CG 3.29Å; T44-L48 WeakPolarHBondContact O-CG 3.34Å; T44-L48 PolarHBondContact O-N 3.39Å |
| 45 | I | 95.2 | Very high | 94 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 51% | 0.508 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.5 | -70.6 | 162.7 | 0 | 0 | 0 | 110.6 | S41 L42 L48 V49 | S41-I45 WeakPolarHBondContact O-CD1 3.23Å; S41-I45 VanDerWaalsContact O-CG1 3.25Å; S41-I45 WeakPolarHBondContact O-CG1 3.43Å; S41-I45 PolarHBondContact O-N 3.21Å; L42-I45 PolarHBondContact O-N 2.76Å; I45-L48 PolarHBondContact O-N 3.07Å; I45-V49 WeakPolarHBondContact O-CB 3.42Å; I45-V49 WeakPolarHBondContact O-CG2 3.28Å; I45-V49 PolarHBondContact O-N 2.99Å |
| 46 | L | 94.2 | Very high | 93.8 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.8 | -73.9 | 168.9 | 0 | 0 | 0 | 112.4 | L42 Y43 T44 V49 Y50 L252 M253 Q256 | L42-L46 WeakPolarHBondContact O-CG 3.27Å; L42-L46 PolarHBondContact O-N 3.26Å; Y43-L46 PolarHBondContact O-N 3.11Å; T44-L46 PolarHBondContact O-N 2.92Å; L46-V49 PolarHBondContact O-N 2.61Å; L46-Y50 WeakPolarHBondContact O-CB 3.48Å; L46-Y50 PolarHBondContact O-N 2.97Å; L46-L252 HydrophobicContact CD1-CB 4.04Å; L46-L252 WeakPolarHBondContact CD1-O 3.25Å; L46-M253 HydrophobicContact CD2-CE 4.38Å; L46-Q256 VanDerWaalsContact CB-NE2 3.34Å |
| 47 | S | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 112 | Y43 T44 Y50 R51 | Y43-S47 WeakPolarHBondContact O-CB 3.49Å; Y43-S47 PolarHBondContact O-N 2.9Å; T44-S47 PolarHBondContact O-N 3Å; S47-Y50 PolarHBondContact O-N 3.31Å; S47-R51 WeakPolarHBondContact O-CB 3.36Å; S47-R51 WeakPolarHBondContact O-CD 3.48Å; S47-R51 WeakPolarHBondContact O-CG 3.46Å; S47-R51 PolarHBondContact O-N 2.9Å; S47-R51 PolarHBondContact OG-NE 3.42Å |
| 48 | L | 94 | Very high | 93.5 | Very high | 69 Ų | 69 | 66.9 Ų | 66.9 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.2 | -69.4 | 174.2 | 0 | 0 | 0 | 112.2 | T44 I45 R51 F52 | T44-L48 HydrophobicContact CG2-CD1 4.11Å; T44-L48 HydrophobicContact CG2-CG 4.36Å; T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 VanDerWaalsContact O-CG 3.29Å; T44-L48 WeakPolarHBondContact O-CG 3.34Å; T44-L48 PolarHBondContact O-N 3.39Å; I45-L48 PolarHBondContact O-N 3.07Å; L48-R51 PolarHBondContact O-N 2.93Å; L48-F52 HydrophobicContact CD2-CD2 3.9Å; L48-F52 HydrophobicContact CD2-CE2 3.69Å; L48-F52 WeakPolarHBondContact O-CB 3.45Å; L48-F52 WeakPolarHBondContact O-CD2 3.42Å; L48-F52 PolarHBondContact O-N 2.69Å |
| 49 | V | 94.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 65 Ų | 65 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 175.3 | 165.6 | 0 | 0 | 0 | 0 | 110.9 | I45 L46 R51 A53 L54 | I45-V49 WeakPolarHBondContact O-CB 3.42Å; I45-V49 WeakPolarHBondContact O-CG2 3.28Å; I45-V49 PolarHBondContact O-N 2.99Å; L46-V49 PolarHBondContact O-N 2.61Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 3.17Å; V49-A53 HydrophobicContact CG1-CB 4.33Å; V49-A53 WeakPolarHBondContact O-CA 3.18Å; V49-A53 WeakPolarHBondContact O-CB 3.38Å; V49-A53 PolarHBondContact O-N 2.83Å; V49-L54 HydrophobicContact CG1-CD2 3.96Å; V49-L54 HydrophobicContact CG1-CG 4.02Å; V49-L54 PolarHBondContact O-N 2.96Å; V49-L54 VanDerWaalsContact O-N 3.07Å |
| 50 | Y | 93.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 177.8 | 173.2 | -112 | 0 | 0 | 0 | 113.1 | L46 S47 L54 R59 F62 E63 D259 | L46-Y50 WeakPolarHBondContact O-CB 3.48Å; L46-Y50 PolarHBondContact O-N 2.97Å; S47-Y50 PolarHBondContact O-N 3.31Å; Y50-L54 HydrophobicContact CD2-CD1 4.37Å; Y50-R59 HydrophobicContact CD2-CB 4.37Å; Y50-R59 HydrophobicContact CD2-CG 4.01Å; Y50-R59 HydrophobicContact CE2-CB 3.82Å; Y50-R59 HydrophobicContact CE2-CG 3.86Å; Y50-R59 VanDerWaalsContact CZ-NH2 3.33Å; Y50-R59 WeakPolarHBondContact O-CD 3.32Å; Y50-R59 PolarHBondContact O-NE 3.22Å; Y50-R59 PolarHBondContact OH-NH2 3.3Å; Y50-F62 HydrophobicContact CD1-CE1 4.49Å; Y50-F62 HydrophobicContact CD2-CB 4.21Å; Y50-F62 AromaticContact CD2-CD1 3.29Å; Y50-F62 HydrophobicContact CD2-CD1 3.29Å; Y50-F62 AromaticContact CD2-CE1 3.7Å; Y50-F62 HydrophobicContact CD2-CE1 3.7Å; Y50-F62 AromaticContact CD2-CG 3.83Å; Y50-F62 HydrophobicContact CD2-CG 3.83Å; Y50-F62 AromaticContact CE2-CD1 3.8Å; Y50-F62 HydrophobicContact CE2-CD1 3.8Å; Y50-F62 HydrophobicContact CE2-CE1 4.41Å; Y50-F62 HydrophobicContact CE2-CG 4.47Å; Y50-F62 AromaticContact CG-CD1 3.87Å; Y50-F62 HydrophobicContact CG-CD1 3.87Å; Y50-F62 AromaticContact CG-CE1 3.75Å; Y50-F62 HydrophobicContact CG-CE1 3.75Å; Y50-F62 HydrophobicContact CG-CZ 4.36Å; Y50-E63 HydrophobicContact CE2-CG 4.08Å; Y50-E63 PolarHBondContact OH-OE1 3Å; Y50-D259 PolarHBondContact OH-N 3.17Å |
| 51 | R | 90.5 | Very high | 93 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -81.4 | -34.1 | -177 | -68.1 | 167.2 | -168.5 | -91.7 | 2.3 | 114.4 | S47 L48 V49 D270 | S47-R51 WeakPolarHBondContact O-CB 3.36Å; S47-R51 WeakPolarHBondContact O-CD 3.48Å; S47-R51 WeakPolarHBondContact O-CG 3.46Å; S47-R51 PolarHBondContact O-N 2.9Å; S47-R51 PolarHBondContact OG-NE 3.42Å; L48-R51 PolarHBondContact O-N 2.93Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 3.17Å; R51-D270 IonicContact CZ-OD1 3.54Å; R51-D270 IonicContact CZ-OD2 2.71Å; R51-D270 VanDerWaalsContact CZ-OD2 3.24Å; R51-D270 IonicContact NH1-OD2 2.67Å; R51-D270 PolarHBondContact NH1-OD2 2.63Å; R51-D270 IonicContact NH2-OD1 2.85Å; R51-D270 PolarHBondContact NH2-OD1 2.92Å; R51-D270 IonicContact NH2-OD2 3.13Å; R51-D270 PolarHBondContact NH2-OD2 3.44Å |
| 52 | F | 92.7 | Very high | 93 | Very high | 160 Ų | 160 | 68.2 Ų | 68.2 | 70% | 0.702 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -125.3 | -15.9 | -167.2 | -59.1 | -64.3 | 0 | 0 | 0 | 115.7 | L48 | L48-F52 HydrophobicContact CD2-CD2 3.9Å; L48-F52 HydrophobicContact CD2-CE2 3.69Å; L48-F52 WeakPolarHBondContact O-CB 3.45Å; L48-F52 WeakPolarHBondContact O-CD2 3.42Å; L48-F52 PolarHBondContact O-N 2.69Å |
| 53 | A | 93.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 59% | 0.587 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -28.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | V49 | V49-A53 HydrophobicContact CG1-CB 4.33Å; V49-A53 WeakPolarHBondContact O-CA 3.18Å; V49-A53 WeakPolarHBondContact O-CB 3.38Å; V49-A53 PolarHBondContact O-N 2.83Å |
| 54 | L | 93.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 69.9 Ų | 69.9 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | trans | -82.2 | 136 | 179.5 | -61.4 | -169.6 | 0 | 0 | 0 | 112.3 | V49 Y50 Q58 R59 F62 | V49-L54 HydrophobicContact CG1-CD2 3.96Å; V49-L54 HydrophobicContact CG1-CG 4.02Å; V49-L54 PolarHBondContact O-N 2.96Å; V49-L54 VanDerWaalsContact O-N 3.07Å; Y50-L54 HydrophobicContact CD2-CD1 4.37Å; L54-Q58 HydrophobicContact CB-CB 3.94Å; L54-Q58 HydrophobicContact CD1-CB 4.43Å; L54-Q58 HydrophobicContact CD2-CB 4.15Å; L54-Q58 HydrophobicContact CG-CB 4.39Å; L54-R59 HydrophobicContact CB-CG 3.72Å; L54-F62 HydrophobicContact CD1-CB 3.88Å; L54-F62 HydrophobicContact CD1-CD2 3.85Å; L54-F62 HydrophobicContact CD1-CG 4.03Å | ||
| 55 | N | 91.4 | Very high | 92.6 | Very high | 82 Ų | 82 | 70.8 Ų | 70.8 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | trans | -74.6 | 170.7 | 170.4 | 77.5 | 29.2 | 0 | 0 | 0 | 111.7 | E57 Q58 R59 | N55-E57 VanDerWaalsContact C-N 3.29Å; N55-E57 PolarHBondContact O-N 3.25Å; N55-E57 WeakPolarHBondContact OD1-CB 3.43Å; N55-E57 PolarHBondContact OD1-N 2.87Å; N55-Q58 PolarHBondContact O-N 3.48Å; N55-Q58 VanDerWaalsContact O-N 3.17Å; N55-Q58 WeakPolarHBondContact OD1-CG 3.4Å; N55-Q58 PolarHBondContact OD1-N 2.82Å; N55-R59 WeakPolarHBondContact O-CG 3.46Å; N55-R59 PolarHBondContact O-N 3.01Å | ||
| 56 | S | 88.8 | Confident | 92.5 | Very high | 105 Ų | 105 | 66 Ų | 66 | 73% | 0.734 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58 | -34.1 | -175.4 | -52.4 | 0 | 0 | 0 | 0 | 114.8 | E60 | S56-E60 PolarHBondContact O-N 2.91Å |
| 57 | E | 90.7 | Very high | 92.4 | Very high | 133 Ų | 133 | 66.1 Ų | 66.1 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -73.3 | -45.2 | 177.2 | -171.2 | -170.2 | 161 | 0 | 0 | 110.9 | N55 R59 E60 Q61 | N55-E57 VanDerWaalsContact C-N 3.29Å; N55-E57 PolarHBondContact O-N 3.25Å; N55-E57 WeakPolarHBondContact OD1-CB 3.43Å; N55-E57 PolarHBondContact OD1-N 2.87Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 2.85Å; E57-E60 PolarHBondContact O-N 3.17Å; E57-Q61 WeakPolarHBondContact O-CG 3.34Å; E57-Q61 PolarHBondContact O-N 2.87Å; E57-Q61 PolarHBondContact OE1-NE2 3.26Å |
| 58 | Q | 92.9 | Very high | 92.3 | Very high | 80 Ų | 80 | 72.5 Ų | 72.5 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 176.6 | -69.1 | 169.2 | -30.4 | 0 | 0 | 112.2 | L54 N55 Q61 F62 | L54-Q58 HydrophobicContact CB-CB 3.94Å; L54-Q58 HydrophobicContact CD1-CB 4.43Å; L54-Q58 HydrophobicContact CD2-CB 4.15Å; L54-Q58 HydrophobicContact CG-CB 4.39Å; N55-Q58 PolarHBondContact O-N 3.48Å; N55-Q58 VanDerWaalsContact O-N 3.17Å; N55-Q58 WeakPolarHBondContact OD1-CG 3.4Å; N55-Q58 PolarHBondContact OD1-N 2.82Å; Q58-Q61 PolarHBondContact O-N 3.31Å; Q58-F62 WeakPolarHBondContact O-CB 3.2Å; Q58-F62 PolarHBondContact O-N 3.29Å |
| 59 | R | 92 | Very high | 92.2 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 173.1 | -73.8 | -173.9 | 69.8 | -141.5 | -7.5 | 111.3 | Y50 L54 N55 E57 Q61 F62 E63 D259 | Y50-R59 HydrophobicContact CD2-CB 4.37Å; Y50-R59 HydrophobicContact CD2-CG 4.01Å; Y50-R59 HydrophobicContact CE2-CB 3.82Å; Y50-R59 HydrophobicContact CE2-CG 3.86Å; Y50-R59 VanDerWaalsContact CZ-NH2 3.33Å; Y50-R59 WeakPolarHBondContact O-CD 3.32Å; Y50-R59 PolarHBondContact O-NE 3.22Å; Y50-R59 PolarHBondContact OH-NH2 3.3Å; L54-R59 HydrophobicContact CB-CG 3.72Å; N55-R59 WeakPolarHBondContact O-CG 3.46Å; N55-R59 PolarHBondContact O-N 3.01Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 2.85Å; R59-Q61 PolarHBondContact O-N 3.35Å; R59-F62 WeakPolarHBondContact O-CB 3.39Å; R59-F62 PolarHBondContact O-N 2.86Å; R59-E63 WeakPolarHBondContact O-CB 3.15Å; R59-E63 VanDerWaalsContact O-CD 3.23Å; R59-E63 WeakPolarHBondContact O-CG 3.41Å; R59-E63 PolarHBondContact O-N 2.88Å; R59-D259 IonicContact CZ-OD2 3.59Å; R59-D259 IonicContact NH1-OD2 3.37Å; R59-D259 PolarHBondContact NH1-OD2 2.87Å; R59-D259 IonicContact NH2-OD2 2.77Å; R59-D259 PolarHBondContact NH2-OD2 3.48Å |
| 60 | E | 90.3 | Very high | 91.9 | Very high | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.4 | -33.8 | 175.9 | -167.5 | 176.6 | 121 | 0 | 0 | 112.9 | S56 E57 K64 K262 | S56-E60 PolarHBondContact O-N 2.91Å; E57-E60 PolarHBondContact O-N 3.17Å; E60-K64 HydrophobicContact CG-CD 4.48Å; E60-K64 WeakPolarHBondContact O-CD 3.3Å; E60-K64 VanDerWaalsContact O-CG 3.3Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 2.98Å; E60-K64 VanDerWaalsContact O-N 3.11Å; E60-K64 WeakPolarHBondContact OE1-CE 3.45Å; E60-K64 IonicContact OE1-NZ 3.83Å; E60-K64 PolarHBondContact OE1-NZ 3.21Å; E60-K262 IonicContact OE2-NZ 2.84Å; E60-K262 PolarHBondContact OE2-NZ 3.04Å |
| 61 | Q | 92 | Very high | 91.6 | Very high | 108 Ų | 108 | 78 Ų | 78 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 171.4 | -67.3 | 175.8 | 13.5 | 0 | 0 | 111.7 | E57 Q58 R59 K64 L65 | E57-Q61 WeakPolarHBondContact O-CG 3.34Å; E57-Q61 PolarHBondContact O-N 2.87Å; E57-Q61 PolarHBondContact OE1-NE2 3.26Å; Q58-Q61 PolarHBondContact O-N 3.31Å; R59-Q61 PolarHBondContact O-N 3.35Å; Q61-K64 PolarHBondContact O-N 2.78Å; Q61-L65 PolarHBondContact O-N 2.8Å |
| 62 | F | 94.2 | Very high | 91.4 | Very high | 19 Ų | 19 | 76.5 Ų | 76.5 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.6 | -174.9 | -84.1 | 0 | 0 | 0 | 112.2 | Y50 L54 Q58 R59 K64 L65 S66 M253 Q256 L258 | Y50-F62 HydrophobicContact CD1-CE1 4.49Å; Y50-F62 HydrophobicContact CD2-CB 4.21Å; Y50-F62 AromaticContact CD2-CD1 3.29Å; Y50-F62 HydrophobicContact CD2-CD1 3.29Å; Y50-F62 AromaticContact CD2-CE1 3.7Å; Y50-F62 HydrophobicContact CD2-CE1 3.7Å; Y50-F62 AromaticContact CD2-CG 3.83Å; Y50-F62 HydrophobicContact CD2-CG 3.83Å; Y50-F62 AromaticContact CE2-CD1 3.8Å; Y50-F62 HydrophobicContact CE2-CD1 3.8Å; Y50-F62 HydrophobicContact CE2-CE1 4.41Å; Y50-F62 HydrophobicContact CE2-CG 4.47Å; Y50-F62 AromaticContact CG-CD1 3.87Å; Y50-F62 HydrophobicContact CG-CD1 3.87Å; Y50-F62 AromaticContact CG-CE1 3.75Å; Y50-F62 HydrophobicContact CG-CE1 3.75Å; Y50-F62 HydrophobicContact CG-CZ 4.36Å; L54-F62 HydrophobicContact CD1-CB 3.88Å; L54-F62 HydrophobicContact CD1-CD2 3.85Å; L54-F62 HydrophobicContact CD1-CG 4.03Å; Q58-F62 WeakPolarHBondContact O-CB 3.2Å; Q58-F62 PolarHBondContact O-N 3.29Å; R59-F62 WeakPolarHBondContact O-CB 3.39Å; R59-F62 PolarHBondContact O-N 2.86Å; F62-K64 PolarHBondContact O-N 2.69Å; F62-L65 PolarHBondContact O-N 3.44Å; F62-S66 PolarHBondContact O-N 3.49Å; F62-M253 HydrophobicContact CD2-CE 4.37Å; F62-M253 HydrophobicContact CD2-SD 4.06Å; F62-M253 HydrophobicContact CE1-SD 4.29Å; F62-M253 HydrophobicContact CE2-CE 3.86Å; F62-M253 HydrophobicContact CE2-SD 3.67Å; F62-M253 HydrophobicContact CZ-CE 4.43Å; F62-M253 HydrophobicContact CZ-SD 3.81Å; F62-Q256 HydrophobicContact CE1-CB 4Å; F62-Q256 HydrophobicContact CE1-CG 4.16Å; F62-Q256 HydrophobicContact CZ-CB 4.33Å; F62-Q256 HydrophobicContact CZ-CG 3.96Å; F62-L258 HydrophobicContact CD1-CD2 4.39Å; F62-L258 HydrophobicContact CE1-CD2 4.47Å |
| 63 | E | 93.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 174.3 | -74.5 | 152.8 | -153.6 | 0 | 0 | 111.5 | Y50 R59 L65 S66 L67 L258 K262 Y264 | Y50-E63 HydrophobicContact CE2-CG 4.08Å; Y50-E63 PolarHBondContact OH-OE1 3Å; R59-E63 WeakPolarHBondContact O-CB 3.15Å; R59-E63 VanDerWaalsContact O-CD 3.23Å; R59-E63 WeakPolarHBondContact O-CG 3.41Å; R59-E63 PolarHBondContact O-N 2.88Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3.47Å; E63-S66 PolarHBondContact O-N 3.28Å; E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 2.91Å; E63-L67 VanDerWaalsContact O-N 3.09Å; E63-L258 HydrophobicContact CB-CD1 4.23Å; E63-L258 HydrophobicContact CB-CD2 4.45Å; E63-L258 HydrophobicContact CG-CB 4.33Å; E63-L258 HydrophobicContact CG-CD1 4.19Å; E63-L258 HydrophobicContact CG-CD2 3.9Å; E63-L258 HydrophobicContact CG-CG 4.36Å; E63-K262 WeakPolarHBondContact OE2-CE 3.37Å; E63-K262 IonicContact OE2-NZ 3.45Å; E63-Y264 HydrophobicContact CB-CE2 3.84Å; E63-Y264 HydrophobicContact CG-CE2 3.77Å; E63-Y264 VanDerWaalsContact OE2-CE2 3.3Å; E63-Y264 WeakPolarHBondContact OE2-CE2 3.4Å; E63-Y264 PolarHBondContact OE2-OH 2.89Å |
| 64 | K | 91.6 | Very high | 90.5 | Very high | 117 Ų | 117 | 70.6 Ų | 70.6 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 175.3 | -72 | 164.7 | -174 | 163.7 | 0 | 112.4 | E60 Q61 F62 F68 | E60-K64 HydrophobicContact CG-CD 4.48Å; E60-K64 WeakPolarHBondContact O-CD 3.3Å; E60-K64 VanDerWaalsContact O-CG 3.3Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 2.98Å; E60-K64 VanDerWaalsContact O-N 3.11Å; E60-K64 WeakPolarHBondContact OE1-CE 3.45Å; E60-K64 IonicContact OE1-NZ 3.83Å; E60-K64 PolarHBondContact OE1-NZ 3.21Å; Q61-K64 PolarHBondContact O-N 2.78Å; F62-K64 PolarHBondContact O-N 2.69Å; K64-F68 WeakPolarHBondContact O-CB 3.46Å; K64-F68 PolarHBondContact O-N 2.89Å; K64-F68 VanDerWaalsContact O-N 3.1Å |
| 65 | L | 93.2 | Very high | 89.9 | Confident | 82 Ų | 82 | 76 Ų | 76 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 176.7 | -176.4 | 62.6 | 0 | 0 | 0 | 112.3 | Q61 F62 E63 F68 C69 M253 | Q61-L65 PolarHBondContact O-N 2.8Å; F62-L65 PolarHBondContact O-N 3.44Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3.47Å; L65-F68 PolarHBondContact O-N 2.82Å; L65-C69 PolarHBondContact O-N 3.01Å; L65-C69 PolarHBondContact O-SG 3.36Å; L65-M253 HydrophobicContact CD2-CE 4.02Å; L65-M253 HydrophobicContact CD2-CG 4.27Å; L65-M253 HydrophobicContact CD2-SD 4.11Å; L65-M253 HydrophobicContact CG-CG 4Å; L65-M253 HydrophobicContact CG-SD 4.28Å |
| 66 | S | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.1 | -52.3 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | F62 E63 F68 C69 E70 M253 | F62-S66 PolarHBondContact O-N 3.49Å; E63-S66 PolarHBondContact O-N 3.28Å; S66-F68 VanDerWaalsContact C-N 3.29Å; S66-F68 PolarHBondContact O-N 2.88Å; S66-C69 PolarHBondContact O-N 3.18Å; S66-C69 VanDerWaalsContact O-N 3.12Å; S66-E70 PolarHBondContact O-N 2.83Å; S66-M253 PolarHBondContact OG-O 3.09Å; S66-M253 VanDerWaalsContact OG-O 3.09Å |
| 67 | L | 91.2 | Very high | 89.4 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -33.8 | 179.4 | -65 | 169.1 | 0 | 0 | 0 | 112.7 | E63 K71 L258 Y264 | E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 2.91Å; E63-L67 VanDerWaalsContact O-N 3.09Å; L67-K71 PolarHBondContact O-N 2.81Å; L67-L258 HydrophobicContact CD2-CD1 4.26Å; L67-L258 HydrophobicContact CG-CD1 4.12Å; L67-Y264 HydrophobicContact CD1-CD1 3.74Å; L67-Y264 HydrophobicContact CD1-CE1 4.04Å; L67-Y264 HydrophobicContact CD1-CG 4.11Å |
| 68 | F | 91.6 | Very high | 89.4 | Confident | 136 Ų | 136 | 67 Ų | 67 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.5 | -50.2 | 171.6 | 176 | -95.5 | 0 | 0 | 0 | 111.4 | K64 L65 S66 E70 K71 S72 | K64-F68 WeakPolarHBondContact O-CB 3.46Å; K64-F68 PolarHBondContact O-N 2.89Å; K64-F68 VanDerWaalsContact O-N 3.1Å; L65-F68 PolarHBondContact O-N 2.82Å; S66-F68 VanDerWaalsContact C-N 3.29Å; S66-F68 PolarHBondContact O-N 2.88Å; F68-E70 VanDerWaalsContact C-N 3.33Å; F68-E70 PolarHBondContact O-N 3.24Å; F68-K71 PolarHBondContact O-N 3Å; F68-S72 PolarHBondContact O-N 2.67Å; F68-S72 PolarHBondContact O-OG 3.27Å |
| 69 | C | 91.8 | Very high | 89.3 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 14% | 0.142 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 178.3 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | L65 S66 S72 L73 M253 A254 | L65-C69 PolarHBondContact O-N 3.01Å; L65-C69 PolarHBondContact O-SG 3.36Å; S66-C69 PolarHBondContact O-N 3.18Å; S66-C69 VanDerWaalsContact O-N 3.12Å; C69-S72 WeakPolarHBondContact O-CB 3.31Å; C69-S72 PolarHBondContact O-N 2.8Å; C69-S72 VanDerWaalsContact O-N 3.14Å; C69-L73 PolarHBondContact O-N 3.03Å; C69-M253 HydrophobicContact CB-CB 4.34Å; C69-M253 HydrophobicContact CB-CG 4.35Å; C69-A254 HydrophobicContact CB-CB 3.72Å |
| 70 | E | 89.3 | Confident | 89.2 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 35% | 0.346 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 176.5 | -170.2 | -173 | -150.5 | 0 | 0 | 111.4 | S66 F68 S72 L73 A254 H267 | S66-E70 PolarHBondContact O-N 2.83Å; F68-E70 VanDerWaalsContact C-N 3.33Å; F68-E70 PolarHBondContact O-N 3.24Å; E70-S72 PolarHBondContact O-N 3.16Å; E70-L73 WeakPolarHBondContact O-CB 3.28Å; E70-L73 PolarHBondContact O-N 3.45Å; E70-A254 HydrophobicContact CB-CB 3.97Å; E70-A254 VanDerWaalsContact N-CB 3.29Å; E70-H267 IonicContact OE2-CE1 2.68Å; E70-H267 PolarHBondContact OE2-CE1 2.84Å |
| 71 | K | 87.5 | Confident | 89.3 | Confident | 152 Ų | 152 | 66.8 Ų | 66.8 | 66% | 0.661 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57.9 | -39 | 173.1 | -170.9 | 175.1 | -179.2 | 179.3 | 0 | 111.2 | L67 F68 S74 | L67-K71 PolarHBondContact O-N 2.81Å; F68-K71 PolarHBondContact O-N 3Å; K71-S74 PolarHBondContact O-N 3.41Å; K71-S74 PolarHBondContact O-OG 3.16Å |
| 72 | S | 85.2 | Confident | 89.3 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.6 | -30.4 | 178.5 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | F68 C69 E70 S74 F75 | F68-S72 PolarHBondContact O-N 2.67Å; F68-S72 PolarHBondContact O-OG 3.27Å; C69-S72 WeakPolarHBondContact O-CB 3.31Å; C69-S72 PolarHBondContact O-N 2.8Å; C69-S72 VanDerWaalsContact O-N 3.14Å; E70-S72 PolarHBondContact O-N 3.16Å; S72-S74 PolarHBondContact O-N 3.1Å; S72-S74 VanDerWaalsContact O-N 3.15Å; S72-F75 WeakPolarHBondContact O-CD2 3.42Å; S72-F75 PolarHBondContact O-N 3.41Å |
| 73 | L | 87.2 | Confident | 89.2 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.5 | -27.6 | 177.2 | -71.2 | 177.1 | 0 | 0 | 0 | 112.9 | C69 E70 F75 I76 F247 A250 A254 | C69-L73 PolarHBondContact O-N 3.03Å; E70-L73 WeakPolarHBondContact O-CB 3.28Å; E70-L73 PolarHBondContact O-N 3.45Å; L73-F75 PolarHBondContact O-N 3.12Å; L73-I76 PolarHBondContact O-N 2.96Å; L73-F247 HydrophobicContact CB-CD2 4.48Å; L73-F247 HydrophobicContact CB-CE2 4.2Å; L73-F247 HydrophobicContact CD2-CD2 3.7Å; L73-F247 HydrophobicContact CD2-CE2 3.94Å; L73-F247 HydrophobicContact CD2-CG 4.08Å; L73-F247 VanDerWaalsContact CD2-O 3.25Å; L73-F247 WeakPolarHBondContact CD2-O 3.38Å; L73-F247 HydrophobicContact CG-CE2 4.49Å; L73-A250 HydrophobicContact CD2-CB 3.6Å; L73-A250 HydrophobicContact CG-CB 4.42Å; L73-A254 HydrophobicContact CD1-CB 3.7Å; L73-A254 HydrophobicContact CG-CB 4.22Å |
| 74 | S | 79.9 | Confident | 89.2 | Confident | 94 Ų | 94 | 65 Ų | 65 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -17.1 | -177.7 | 69.5 | 0 | 0 | 0 | 0 | 114.7 | K71 S72 | K71-S74 PolarHBondContact O-N 3.41Å; K71-S74 PolarHBondContact O-OG 3.16Å; S72-S74 PolarHBondContact O-N 3.1Å; S72-S74 VanDerWaalsContact O-N 3.15Å |
| 75 | F | 81.6 | Confident | 89.4 | Confident | 158 Ų | 158 | 59.5 Ų | 59.5 | 69% | 0.693 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.1 | -178 | -62.3 | -66.4 | 0 | 0 | 0 | 114.8 | S72 L73 P77 | S72-F75 WeakPolarHBondContact O-CD2 3.42Å; S72-F75 PolarHBondContact O-N 3.41Å; L73-F75 PolarHBondContact O-N 3.12Å; F75-P77 VanDerWaalsContact O-CD 3.32Å; F75-P77 WeakPolarHBondContact O-CD 3.45Å |
| 76 | I | 82.2 | Confident | 89.5 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | trans | -103.1 | 104.7 | -174.1 | -52 | 177.6 | 0 | 0 | 0 | 110.3 | L73 L78 A243 F247 | L73-I76 PolarHBondContact O-N 2.96Å; I76-L78 HydrophobicContact CG2-CD2 3.62Å; I76-L78 HydrophobicContact CG2-CG 4.01Å; I76-L78 PolarHBondContact O-N 3.32Å; I76-A243 HydrophobicContact CG2-CB 4.11Å; I76-F247 HydrophobicContact CD1-CB 4.06Å | ||
| 77 | P | 87.5 | Confident | 89.6 | Confident | 76 Ų | 76 | 59.5 Ų | 59.5 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | trans | -82.6 | 59.6 | -174.8 | 35.6 | -37.6 | 0 | 0 | 0 | 112.4 | F75 T79 F80 I81 | F75-P77 VanDerWaalsContact O-CD 3.32Å; F75-P77 WeakPolarHBondContact O-CD 3.45Å; P77-T79 VanDerWaalsContact C-N 3.27Å; P77-T79 PolarHBondContact O-N 3.01Å; P77-T79 VanDerWaalsContact O-N 3.12Å; P77-F80 HydrophobicContact CB-CB 4.43Å; P77-F80 WeakPolarHBondContact O-CB 3.46Å; P77-F80 PolarHBondContact O-N 3.48Å; P77-I81 HydrophobicContact CG-CD1 4.01Å; P77-I81 HydrophobicContact CG-CG1 4.42Å; P77-I81 PolarHBondContact O-N 3.28Å | ||
| 78 | L | 89.6 | Confident | 89.6 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -46.8 | -46.2 | -174.5 | -69.5 | -174.9 | 0 | 0 | 0 | 113.6 | I76 F80 I81 L82 A243 V244 F247 Y284 | I76-L78 HydrophobicContact CG2-CD2 3.62Å; I76-L78 HydrophobicContact CG2-CG 4.01Å; I76-L78 PolarHBondContact O-N 3.32Å; L78-F80 PolarHBondContact O-N 3.05Å; L78-I81 PolarHBondContact O-N 3.42Å; L78-L82 HydrophobicContact CB-CD1 4.45Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 PolarHBondContact O-N 3.39Å; L78-A243 HydrophobicContact CD2-CB 4.08Å; L78-V244 HydrophobicContact CD2-CG2 4Å; L78-F247 HydrophobicContact CD1-CB 3.93Å; L78-F247 HydrophobicContact CD1-CD1 3.76Å; L78-F247 HydrophobicContact CD1-CD2 3.82Å; L78-F247 HydrophobicContact CD1-CE1 4.18Å; L78-F247 HydrophobicContact CD1-CE2 4.23Å; L78-F247 HydrophobicContact CD1-CG 3.57Å; L78-F247 HydrophobicContact CD1-CZ 4.4Å; L78-F247 HydrophobicContact CD2-CB 4.29Å; L78-F247 HydrophobicContact CG-CB 4.42Å; L78-F247 HydrophobicContact CG-CD2 4.34Å; L78-F247 HydrophobicContact CG-CG 4.35Å; L78-Y284 HydrophobicContact CB-CD1 3.86Å; L78-Y284 HydrophobicContact CB-CE1 3.76Å; L78-Y284 HydrophobicContact CD1-CD1 3.86Å; L78-Y284 HydrophobicContact CD1-CD2 3.82Å; L78-Y284 HydrophobicContact CD1-CE1 4.17Å; L78-Y284 HydrophobicContact CD1-CE2 4.14Å; L78-Y284 HydrophobicContact CD1-CG 3.67Å |
| 79 | T | 92 | Very high | 89.8 | Confident | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -29.5 | -176.5 | -46.3 | 0 | 0 | 0 | 0 | 113.7 | P77 G83 W287 | P77-T79 VanDerWaalsContact C-N 3.27Å; P77-T79 PolarHBondContact O-N 3.01Å; P77-T79 VanDerWaalsContact O-N 3.12Å; T79-G83 PolarHBondContact O-N 2.88Å; T79-W287 HydrophobicContact CG2-CH2 4.22Å; T79-W287 HydrophobicContact CG2-CZ3 4.03Å |
| 80 | F | 90.3 | Very high | 90 | Very high | 109 Ų | 109 | 55.8 Ų | 55.8 | 48% | 0.478 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -77.7 | -51 | 175.8 | -174.7 | -79.4 | 0 | 0 | 0 | 110 | P77 L78 G83 F84 | P77-F80 HydrophobicContact CB-CB 4.43Å; P77-F80 WeakPolarHBondContact O-CB 3.46Å; P77-F80 PolarHBondContact O-N 3.48Å; L78-F80 PolarHBondContact O-N 3.05Å; F80-G83 PolarHBondContact O-N 3.23Å; F80-F84 AromaticContact CD1-CD2 3.81Å; F80-F84 HydrophobicContact CD1-CD2 3.81Å; F80-F84 AromaticContact CD1-CE2 3.87Å; F80-F84 HydrophobicContact CD1-CE2 3.87Å; F80-F84 AromaticContact CD2-CE2 3.8Å; F80-F84 HydrophobicContact CD2-CE2 3.8Å; F80-F84 AromaticContact CE1-CD2 3.71Å; F80-F84 HydrophobicContact CE1-CD2 3.71Å; F80-F84 AromaticContact CE1-CE2 3.65Å; F80-F84 HydrophobicContact CE1-CE2 3.65Å; F80-F84 HydrophobicContact CE2-CD2 4.46Å; F80-F84 AromaticContact CE2-CE2 3.6Å; F80-F84 HydrophobicContact CE2-CE2 3.6Å; F80-F84 HydrophobicContact CE2-CZ 4.43Å; F80-F84 HydrophobicContact CG-CD2 4.22Å; F80-F84 AromaticContact CG-CE2 3.93Å; F80-F84 HydrophobicContact CG-CE2 3.93Å; F80-F84 HydrophobicContact CZ-CD2 4.06Å; F80-F84 AromaticContact CZ-CE2 3.51Å; F80-F84 HydrophobicContact CZ-CE2 3.51Å; F80-F84 HydrophobicContact CZ-CZ 4.49Å; F80-F84 WeakPolarHBondContact O-CD2 3.43Å; F80-F84 PolarHBondContact O-N 3.26Å |
| 81 | I | 90.8 | Very high | 90.1 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | -175.3 | -65.3 | 171.9 | 0 | 0 | 0 | 111.2 | P77 L78 Y85 V240 A243 | P77-I81 HydrophobicContact CG-CD1 4.01Å; P77-I81 HydrophobicContact CG-CG1 4.42Å; P77-I81 PolarHBondContact O-N 3.28Å; L78-I81 PolarHBondContact O-N 3.42Å; I81-Y85 WeakPolarHBondContact O-CB 3.34Å; I81-Y85 PolarHBondContact O-N 2.8Å; I81-V240 HydrophobicContact CG2-CB 4.11Å; I81-V240 HydrophobicContact CG2-CG1 4.24Å; I81-V240 HydrophobicContact CG2-CG2 3.58Å; I81-A243 HydrophobicContact CD1-CB 4.23Å |
| 82 | L | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 174.5 | -76.9 | 165.7 | 0 | 0 | 0 | 112.1 | L78 F84 Y85 V86 V240 V244 Y284 W287 L288 | L78-L82 HydrophobicContact CB-CD1 4.45Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 PolarHBondContact O-N 3.39Å; L82-F84 PolarHBondContact O-N 3.24Å; L82-Y85 PolarHBondContact O-N 2.86Å; L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.47Å; L82-V86 WeakPolarHBondContact O-CG2 3.11Å; L82-V86 PolarHBondContact O-N 2.94Å; L82-V240 HydrophobicContact CD2-CG1 3.69Å; L82-V240 HydrophobicContact CG-CG1 4.36Å; L82-V244 HydrophobicContact CD1-CG2 3.97Å; L82-V244 HydrophobicContact CD2-CG2 4.04Å; L82-V244 HydrophobicContact CG-CG2 4.15Å; L82-Y284 HydrophobicContact CD1-CD1 3.89Å; L82-W287 HydrophobicContact CB-CD2 3.99Å; L82-W287 HydrophobicContact CB-CE3 3.78Å; L82-W287 HydrophobicContact CB-CH2 4.38Å; L82-W287 HydrophobicContact CB-CZ3 3.99Å; L82-W287 HydrophobicContact CD1-CD2 4.47Å; L82-W287 HydrophobicContact CD1-CE3 3.95Å; L82-W287 HydrophobicContact CG-CE3 4.5Å; L82-L288 HydrophobicContact CD2-CB 3.98Å; L82-L288 HydrophobicContact CD2-CD1 4.33Å |
| 83 | G | 91.8 | Very high | 90.9 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.5 | -48.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T79 F80 S87 | T79-G83 PolarHBondContact O-N 2.88Å; F80-G83 PolarHBondContact O-N 3.23Å; G83-S87 VanDerWaalsContact O-CB 3.29Å; G83-S87 WeakPolarHBondContact O-CB 3.49Å; G83-S87 PolarHBondContact O-N 3.42Å; G83-S87 VanDerWaalsContact O-N 3.12Å |
| 84 | F | 93.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.1 | -39.9 | 179.1 | -66.9 | -59.8 | 0 | 0 | 0 | 113.3 | F80 L82 S87 M88 Y236 T1103 | F80-F84 AromaticContact CD1-CD2 3.81Å; F80-F84 HydrophobicContact CD1-CD2 3.81Å; F80-F84 AromaticContact CD1-CE2 3.87Å; F80-F84 HydrophobicContact CD1-CE2 3.87Å; F80-F84 AromaticContact CD2-CE2 3.8Å; F80-F84 HydrophobicContact CD2-CE2 3.8Å; F80-F84 AromaticContact CE1-CD2 3.71Å; F80-F84 HydrophobicContact CE1-CD2 3.71Å; F80-F84 AromaticContact CE1-CE2 3.65Å; F80-F84 HydrophobicContact CE1-CE2 3.65Å; F80-F84 HydrophobicContact CE2-CD2 4.46Å; F80-F84 AromaticContact CE2-CE2 3.6Å; F80-F84 HydrophobicContact CE2-CE2 3.6Å; F80-F84 HydrophobicContact CE2-CZ 4.43Å; F80-F84 HydrophobicContact CG-CD2 4.22Å; F80-F84 AromaticContact CG-CE2 3.93Å; F80-F84 HydrophobicContact CG-CE2 3.93Å; F80-F84 HydrophobicContact CZ-CD2 4.06Å; F80-F84 AromaticContact CZ-CE2 3.51Å; F80-F84 HydrophobicContact CZ-CE2 3.51Å; F80-F84 HydrophobicContact CZ-CZ 4.49Å; F80-F84 WeakPolarHBondContact O-CD2 3.43Å; F80-F84 PolarHBondContact O-N 3.26Å; L82-F84 PolarHBondContact O-N 3.24Å; F84-S87 PolarHBondContact O-N 2.68Å; F84-M88 WeakPolarHBondContact O-CB 3.11Å; F84-M88 PolarHBondContact O-N 3.41Å; F84-Y236 VanDerWaalsContact CB-OH 3.3Å; F84-Y236 WeakPolarHBondContact CB-OH 3.24Å; F84-T1103 HydrophobicContact CD1-CG2 3.76Å; F84-T1103 HydrophobicContact CE1-CG2 3.79Å; F84-T1103 WeakPolarHBondContact CE1-OG1 3.16Å |
| 85 | Y | 95.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 178.1 | -179.5 | -107.5 | 0 | 0 | 0 | 111.9 | I81 L82 M88 V89 V232 Y236 T237 V240 A291 | I81-Y85 WeakPolarHBondContact O-CB 3.34Å; I81-Y85 PolarHBondContact O-N 2.8Å; L82-Y85 PolarHBondContact O-N 2.86Å; Y85-M88 HydrophobicContact CD2-CE 3.99Å; Y85-M88 HydrophobicContact CE2-CE 4.38Å; Y85-M88 PolarHBondContact O-N 3.14Å; Y85-V89 HydrophobicContact CE1-CG2 4.43Å; Y85-V89 WeakPolarHBondContact O-CG2 3.49Å; Y85-V89 PolarHBondContact O-N 2.94Å; Y85-V232 HydrophobicContact CE2-CG1 3.9Å; Y85-Y236 HydrophobicContact CD2-CD1 4.29Å; Y85-Y236 HydrophobicContact CD2-CD2 4.19Å; Y85-Y236 HydrophobicContact CD2-CE1 4.38Å; Y85-Y236 HydrophobicContact CD2-CE2 4.28Å; Y85-Y236 HydrophobicContact CD2-CG 4.19Å; Y85-Y236 PolarHBondContact N-OH 3.1Å; Y85-T237 WeakPolarHBondContact CE2-OG1 3.49Å; Y85-T237 WeakPolarHBondContact OH-CB 3.43Å; Y85-T237 VanDerWaalsContact OH-CG2 3.31Å; Y85-T237 WeakPolarHBondContact OH-CG2 3.43Å; Y85-T237 PolarHBondContact OH-OG1 3.07Å; Y85-V240 HydrophobicContact CD1-CB 4.26Å; Y85-V240 HydrophobicContact CD1-CG1 3.81Å; Y85-V240 HydrophobicContact CD1-CG2 4.14Å; Y85-V240 HydrophobicContact CD2-CG2 3.78Å; Y85-V240 HydrophobicContact CE1-CG1 4.36Å; Y85-V240 HydrophobicContact CE2-CG2 4.47Å; Y85-V240 HydrophobicContact CG-CB 4.21Å; Y85-V240 HydrophobicContact CG-CG1 4.1Å; Y85-V240 HydrophobicContact CG-CG2 3.59Å; Y85-A291 HydrophobicContact CD1-CB 3.72Å; Y85-A291 HydrophobicContact CE1-CB 3.44Å; Y85-A291 VanDerWaalsContact CE1-CB 3.44Å |
| 86 | V | 95.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 179.1 | 178 | 0 | 0 | 0 | 0 | 110.7 | L82 M88 V89 V90 W287 V290 A291 | L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.47Å; L82-V86 WeakPolarHBondContact O-CG2 3.11Å; L82-V86 PolarHBondContact O-N 2.94Å; V86-M88 PolarHBondContact O-N 2.95Å; V86-V89 PolarHBondContact O-N 3.36Å; V86-V90 HydrophobicContact CG1-CG2 4.19Å; V86-V90 WeakPolarHBondContact O-CB 3.42Å; V86-V90 VanDerWaalsContact O-CG2 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 2.65Å; V86-W287 HydrophobicContact CG2-CG 4.31Å; V86-W287 WeakPolarHBondContact CG2-O 3.03Å; V86-V290 HydrophobicContact CG1-CG1 4.29Å; V86-A291 HydrophobicContact CG2-CB 3.86Å |
| 87 | S | 93.7 | Very high | 93.1 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.1 | -43 | 177.5 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | G83 F84 V90 T91 | G83-S87 VanDerWaalsContact O-CB 3.29Å; G83-S87 WeakPolarHBondContact O-CB 3.49Å; G83-S87 PolarHBondContact O-N 3.42Å; G83-S87 VanDerWaalsContact O-N 3.12Å; F84-S87 PolarHBondContact O-N 2.68Å; S87-V90 PolarHBondContact O-N 3.09Å; S87-T91 PolarHBondContact O-N 2.93Å; S87-T91 PolarHBondContact O-OG1 3Å |
| 88 | M | 93.2 | Very high | 93.4 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 177.1 | 177 | -174 | 61.3 | 0 | 0 | 111.8 | F84 Y85 V86 R92 V232 Y236 | F84-M88 WeakPolarHBondContact O-CB 3.11Å; F84-M88 PolarHBondContact O-N 3.41Å; Y85-M88 HydrophobicContact CD2-CE 3.99Å; Y85-M88 HydrophobicContact CE2-CE 4.38Å; Y85-M88 PolarHBondContact O-N 3.14Å; V86-M88 PolarHBondContact O-N 2.95Å; M88-R92 WeakPolarHBondContact O-CB 3.38Å; M88-R92 PolarHBondContact O-N 3.42Å; M88-V232 HydrophobicContact CE-CB 4.49Å; M88-V232 HydrophobicContact CE-CG1 3.47Å; M88-V232 VanDerWaalsContact CE-CG1 3.47Å; M88-V232 HydrophobicContact CE-CG2 4.21Å; M88-Y236 HydrophobicContact CE-CD1 3.55Å; M88-Y236 HydrophobicContact CE-CE1 3.55Å; M88-Y236 HydrophobicContact SD-CD1 4.25Å; M88-Y236 HydrophobicContact SD-CE1 4.08Å |
| 89 | V | 95.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Y85 V86 R92 W93 V232 A291 L294 | Y85-V89 HydrophobicContact CE1-CG2 4.43Å; Y85-V89 WeakPolarHBondContact O-CG2 3.49Å; Y85-V89 PolarHBondContact O-N 2.94Å; V86-V89 PolarHBondContact O-N 3.36Å; V89-R92 PolarHBondContact O-N 3.41Å; V89-W93 VanDerWaalsContact O-CB 3.24Å; V89-W93 WeakPolarHBondContact O-CB 3.35Å; V89-W93 PolarHBondContact O-N 3.37Å; V89-V232 HydrophobicContact CG2-CG2 4.3Å; V89-A291 HydrophobicContact CB-CB 4.48Å; V89-A291 HydrophobicContact CG1-CB 4.49Å; V89-A291 HydrophobicContact CG2-CB 4.35Å; V89-L294 HydrophobicContact CG1-CB 3.7Å |
| 90 | V | 94.2 | Very high | 93.8 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 179.8 | 170.1 | 0 | 0 | 0 | 0 | 112.6 | V86 S87 W94 L294 | V86-V90 HydrophobicContact CG1-CG2 4.19Å; V86-V90 WeakPolarHBondContact O-CB 3.42Å; V86-V90 VanDerWaalsContact O-CG2 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 2.65Å; S87-V90 PolarHBondContact O-N 3.09Å; V90-W94 PolarHBondContact O-N 2.81Å; V90-L294 HydrophobicContact CG2-CD1 3.96Å |
| 91 | T | 93 | Very high | 93.7 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 50% | 0.497 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -53.4 | 173 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | S87 W93 W94 D95 | S87-T91 PolarHBondContact O-N 2.93Å; S87-T91 PolarHBondContact O-OG1 3Å; T91-W93 VanDerWaalsContact C-N 3.31Å; T91-W93 PolarHBondContact O-N 2.85Å; T91-W94 WeakPolarHBondContact O-CB 3.48Å; T91-W94 PolarHBondContact O-N 3.33Å; T91-D95 PolarHBondContact O-N 2.77Å |
| 92 | R | 94.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -38.7 | 179.6 | 175.4 | -175.5 | 160.5 | 97.8 | 1.6 | 112.9 | M88 V89 W94 D95 V96 Y227 I230 | M88-R92 WeakPolarHBondContact O-CB 3.38Å; M88-R92 PolarHBondContact O-N 3.42Å; V89-R92 PolarHBondContact O-N 3.41Å; R92-W94 VanDerWaalsContact C-N 3.32Å; R92-W94 PolarHBondContact O-N 2.84Å; R92-D95 PolarHBondContact O-N 3.44Å; R92-V96 WeakPolarHBondContact O-CG2 3.39Å; R92-V96 PolarHBondContact O-N 2.89Å; R92-Y227 HydrophobicContact CG-CD1 4.16Å; R92-Y227 HydrophobicContact CG-CE1 4.29Å; R92-Y227 PolarHBondContact NH2-O 2.88Å; R92-I230 PolarHBondContact NH1-O 2.98Å |
| 93 | W | 95.2 | Very high | 93.9 | Very high | 23 Ų | 23 | 45 Ų | 45 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 174 | 165.8 | 87.8 | 0 | 0 | 0 | 112.2 | M1 V89 T91 F97 L294 F305 | M1-W93 HydrophobicContact SD-CH2 3.53Å; M1-W93 VanDerWaalsContact SD-CH2 3.53Å; M1-W93 HydrophobicContact SD-CZ2 3.63Å; V89-W93 VanDerWaalsContact O-CB 3.24Å; V89-W93 WeakPolarHBondContact O-CB 3.35Å; V89-W93 PolarHBondContact O-N 3.37Å; T91-W93 VanDerWaalsContact C-N 3.31Å; T91-W93 PolarHBondContact O-N 2.85Å; W93-F97 PolarHBondContact O-N 3.06Å; W93-L294 HydrophobicContact CB-CB 4.49Å; W93-L294 HydrophobicContact CD2-CD2 4.38Å; W93-L294 HydrophobicContact CG-CB 4.41Å; W93-L294 HydrophobicContact CG-CD2 4.16Å; W93-F305 AromaticContact CD1-CZ 3.76Å; W93-F305 HydrophobicContact CD2-CZ 4.3Å; W93-F305 AromaticContact CE2-CE1 3.73Å; W93-F305 AromaticContact CE2-CZ 3.74Å; W93-F305 HydrophobicContact CG-CZ 4.3Å; W93-F305 AromaticContact CZ2-CE1 3.91Å; W93-F305 HydrophobicContact CZ2-CE1 3.91Å; W93-F305 HydrophobicContact CZ2-CZ 4.31Å; W93-F305 AromaticContact NE1-CE1 3.41Å; W93-F305 AromaticContact NE1-CZ 3.33Å; W93-F305 VanDerWaalsContact NE1-CZ 3.33Å |
| 94 | W | 94.2 | Very high | 94 | Very high | 127 Ų | 127 | 45.7 Ų | 45.7 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.3 | -39.6 | 177.7 | -169.4 | -114.1 | 0 | 0 | 0 | 112.1 | V90 T91 R92 V96 F97 M98 | V90-W94 PolarHBondContact O-N 2.81Å; T91-W94 WeakPolarHBondContact O-CB 3.48Å; T91-W94 PolarHBondContact O-N 3.33Å; R92-W94 VanDerWaalsContact C-N 3.32Å; R92-W94 PolarHBondContact O-N 2.84Å; W94-V96 VanDerWaalsContact C-N 3.34Å; W94-V96 PolarHBondContact O-N 2.83Å; W94-F97 HydrophobicContact CE3-CD1 4.48Å; W94-F97 HydrophobicContact CZ3-CD1 4.25Å; W94-F97 WeakPolarHBondContact O-CB 3.26Å; W94-F97 PolarHBondContact O-N 2.86Å; W94-M98 HydrophobicContact CD2-CE 4.3Å; W94-M98 VanDerWaalsContact CE2-CE 3.44Å; W94-M98 HydrophobicContact CH2-CE 3.86Å; W94-M98 HydrophobicContact CZ2-CE 3.2Å; W94-M98 WeakPolarHBondContact O-CG 3.41Å; W94-M98 PolarHBondContact O-N 2.9Å |
| 95 | D | 93.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 176 | -61.3 | -32.2 | 0 | 0 | 0 | 112 | T91 R92 F97 M98 N99 Y227 | T91-D95 PolarHBondContact O-N 2.77Å; R92-D95 PolarHBondContact O-N 3.44Å; D95-F97 PolarHBondContact O-N 3.5Å; D95-M98 PolarHBondContact O-N 2.89Å; D95-N99 PolarHBondContact O-N 3Å; D95-N99 VanDerWaalsContact O-N 3.1Å; D95-N99 PolarHBondContact O-ND2 2.79Å; D95-Y227 HydrophobicContact CB-CE2 4.02Å; D95-Y227 VanDerWaalsContact CB-OH 3.23Å; D95-Y227 WeakPolarHBondContact CB-OH 3.46Å |
| 96 | V | 94.8 | Very high | 94 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 172.8 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | R92 W94 M98 N99 I100 L224 Y227 P297 L298 F305 | R92-V96 WeakPolarHBondContact O-CG2 3.39Å; R92-V96 PolarHBondContact O-N 2.89Å; W94-V96 VanDerWaalsContact C-N 3.34Å; W94-V96 PolarHBondContact O-N 2.83Å; V96-M98 PolarHBondContact O-N 3.09Å; V96-N99 PolarHBondContact O-N 2.89Å; V96-I100 PolarHBondContact O-N 3.47Å; V96-L224 HydrophobicContact CG1-CD2 4.13Å; V96-L224 WeakPolarHBondContact O-CD2 3.08Å; V96-Y227 HydrophobicContact CG2-CD1 4.49Å; V96-Y227 HydrophobicContact CG2-CD2 3.72Å; V96-Y227 HydrophobicContact CG2-CE2 4.42Å; V96-Y227 HydrophobicContact CG2-CG 3.79Å; V96-P297 HydrophobicContact CB-CG 4.47Å; V96-P297 HydrophobicContact CG1-CG 4.14Å; V96-L298 HydrophobicContact CG1-CD1 4.33Å; V96-L298 HydrophobicContact CG1-CD2 4.08Å; V96-L298 HydrophobicContact CG1-CG 4.29Å; V96-F305 HydrophobicContact CG1-CE2 4.14Å |
| 97 | F | 94.3 | Very high | 94 | Very high | 64 Ų | 64 | 49 Ų | 49 | 28% | 0.281 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 176.2 | -176.8 | -101.7 | 0 | 0 | 0 | 112.4 | W93 W94 D95 N99 I100 F305 | W93-F97 PolarHBondContact O-N 3.06Å; W94-F97 HydrophobicContact CE3-CD1 4.48Å; W94-F97 HydrophobicContact CZ3-CD1 4.25Å; W94-F97 WeakPolarHBondContact O-CB 3.26Å; W94-F97 PolarHBondContact O-N 2.86Å; D95-F97 PolarHBondContact O-N 3.5Å; F97-N99 VanDerWaalsContact C-N 3.25Å; F97-N99 PolarHBondContact O-N 3.16Å; F97-I100 HydrophobicContact CD2-CD1 4.19Å; F97-I100 WeakPolarHBondContact O-CB 3.43Å; F97-I100 PolarHBondContact O-N 2.76Å; F97-F305 HydrophobicContact CB-CE1 4.31Å; F97-F305 HydrophobicContact CB-CE2 3.84Å; F97-F305 HydrophobicContact CB-CZ 3.63Å; F97-F305 HydrophobicContact CD2-CD1 4.06Å; F97-F305 HydrophobicContact CD2-CD2 4.4Å; F97-F305 AromaticContact CD2-CE1 3.9Å; F97-F305 HydrophobicContact CD2-CE1 3.9Å; F97-F305 HydrophobicContact CD2-CE2 4.24Å; F97-F305 HydrophobicContact CD2-CG 4.33Å; F97-F305 HydrophobicContact CD2-CZ 4.01Å; F97-F305 HydrophobicContact CG-CE1 4.46Å; F97-F305 HydrophobicContact CG-CZ 4.24Å |
| 98 | M | 93.7 | Very high | 94 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 49% | 0.493 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.1 | -20.2 | -179 | -69.6 | -63.6 | 170 | 0 | 0 | 114 | W94 D95 V96 | W94-M98 HydrophobicContact CD2-CE 4.3Å; W94-M98 VanDerWaalsContact CE2-CE 3.44Å; W94-M98 HydrophobicContact CH2-CE 3.86Å; W94-M98 HydrophobicContact CZ2-CE 3.2Å; W94-M98 WeakPolarHBondContact O-CG 3.41Å; W94-M98 PolarHBondContact O-N 2.9Å; D95-M98 PolarHBondContact O-N 2.89Å; V96-M98 PolarHBondContact O-N 3.09Å |
| 99 | N | 94.8 | Very high | 94 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0.8 | 175.1 | -76.4 | -83.1 | 0 | 0 | 0 | 113.7 | D95 V96 F97 G101 M223 L224 | D95-N99 PolarHBondContact O-N 3Å; D95-N99 VanDerWaalsContact O-N 3.1Å; D95-N99 PolarHBondContact O-ND2 2.79Å; V96-N99 PolarHBondContact O-N 2.89Å; F97-N99 VanDerWaalsContact C-N 3.25Å; F97-N99 PolarHBondContact O-N 3.16Å; N99-G101 PolarHBondContact O-N 2.67Å; N99-M223 HydrophobicContact CB-CB 4.13Å; N99-M223 WeakPolarHBondContact OD1-CB 3.26Å; N99-L224 HydrophobicContact CB-CD2 3.8Å; N99-L224 HydrophobicContact CB-CG 4.15Å |
| 100 | I | 94.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -64.7 | 125 | 169.2 | -62.1 | 174.7 | 0 | 0 | 0 | 108.9 | V96 F97 W102 L224 F305 I307 I310 | V96-I100 PolarHBondContact O-N 3.47Å; F97-I100 HydrophobicContact CD2-CD1 4.19Å; F97-I100 WeakPolarHBondContact O-CB 3.43Å; F97-I100 PolarHBondContact O-N 2.76Å; I100-W102 PolarHBondContact O-N 2.85Å; I100-L224 HydrophobicContact CG1-CD2 4.48Å; I100-F305 HydrophobicContact CD1-CD2 3.95Å; I100-F305 HydrophobicContact CD1-CG 4.47Å; I100-I307 HydrophobicContact CD1-CD1 3.78Å; I100-I310 HydrophobicContact CD1-CD1 4.26Å; I100-I310 HydrophobicContact CG2-CD1 4.34Å; I100-I310 HydrophobicContact CG2-CG2 3.99Å |
| 101 | G | 88.6 | Confident | 93.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -64.8 | 132.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | N99 Q136 N314 | N99-G101 PolarHBondContact O-N 2.67Å; G101-Q136 PolarHBondContact O-NE2 2.96Å; G101-Q136 PolarHBondContact O-OE1 3.2Å; G101-N314 PolarHBondContact O-ND2 2.92Å | ||
| 102 | W | 94.1 | Very high | 93.7 | Very high | 109 Ų | 109 | 46.1 Ų | 46.1 | 41% | 0.413 | 22% | 0.216 | S | C | . | . | trans | -120 | 105.4 | 169.1 | -65.3 | 86.8 | 0 | 0 | 0 | 108.2 | I100 D104 | I100-W102 PolarHBondContact O-N 2.85Å; W102-D104 PolarHBondContact O-N 2.85Å | ||
| 103 | P | 94.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.7 | -171.8 | 31.4 | -35.6 | 0 | 0 | 0 | 113.2 | R105 I106 V107 L132 Y217 N314 | P103-R105 VanDerWaalsContact C-N 3.33Å; P103-R105 PolarHBondContact O-N 2.92Å; P103-R105 VanDerWaalsContact O-N 3.17Å; P103-I106 PolarHBondContact O-N 3.3Å; P103-V107 HydrophobicContact CB-CG2 4.01Å; P103-V107 WeakPolarHBondContact O-CG2 3.49Å; P103-V107 PolarHBondContact O-N 3.07Å; P103-L132 HydrophobicContact CB-CB 4.31Å; P103-L132 HydrophobicContact CB-CD1 4.27Å; P103-Y217 HydrophobicContact CB-CE2 4.2Å; P103-N314 VanDerWaalsContact CD-CG 3.49Å; P103-N314 WeakPolarHBondContact CD-ND2 3.5Å; P103-N314 HydrophobicContact CG-CB 3.89Å |
| 104 | D | 94.2 | Very high | 93.4 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 20% | 0.198 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -43.4 | -49.6 | -174.5 | -61.1 | 64.3 | 0 | 0 | 0 | 114.3 | W102 I106 V107 L108 R313 | W102-D104 PolarHBondContact O-N 2.85Å; D104-I106 PolarHBondContact O-N 3.33Å; D104-V107 PolarHBondContact O-N 3.35Å; D104-L108 WeakPolarHBondContact O-CB 3.34Å; D104-L108 WeakPolarHBondContact O-CD1 3.5Å; D104-L108 VanDerWaalsContact O-CG 3.25Å; D104-L108 WeakPolarHBondContact O-CG 3.45Å; D104-L108 PolarHBondContact O-N 2.84Å; D104-R313 VanDerWaalsContact CG-NH1 3.31Å; D104-R313 IonicContact OD1-CZ 3.75Å; D104-R313 IonicContact OD1-NH1 3.98Å; D104-R313 PolarHBondContact OD1-NH1 2.86Å; D104-R313 IonicContact OD1-NH2 3.06Å; D104-R313 IonicContact OD2-CZ 2.91Å; D104-R313 IonicContact OD2-NH1 3.77Å; D104-R313 PolarHBondContact OD2-NH1 3.03Å; D104-R313 VanDerWaalsContact OD2-NH1 3.08Å; D104-R313 IonicContact OD2-NH2 3.78Å; D104-R313 PolarHBondContact OD2-NH2 3.07Å |
| 105 | R | 93.7 | Very high | 92.9 | Very high | 145 Ų | 145 | 44.1 Ų | 44.1 | 55% | 0.547 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58 | -49 | 179.6 | 173.8 | 172.9 | 168.4 | 146.5 | -8.3 | 111.9 | P103 L108 Q109 D213 | P103-R105 VanDerWaalsContact C-N 3.33Å; P103-R105 PolarHBondContact O-N 2.92Å; P103-R105 VanDerWaalsContact O-N 3.17Å; R105-L108 PolarHBondContact O-N 3.27Å; R105-Q109 WeakPolarHBondContact O-CG 3.3Å; R105-Q109 PolarHBondContact O-N 3.28Å; R105-Q109 VanDerWaalsContact O-N 3.1Å; R105-Q109 PolarHBondContact O-OE1 2.92Å; R105-D213 IonicContact CZ-OD1 3.61Å; R105-D213 VanDerWaalsContact CZ-OD1 3.3Å; R105-D213 IonicContact CZ-OD2 3.78Å; R105-D213 VanDerWaalsContact CZ-OD2 3.24Å; R105-D213 IonicContact NE-OD1 3.66Å; R105-D213 PolarHBondContact NE-OD1 3.4Å; R105-D213 IonicContact NE-OD2 3.08Å; R105-D213 PolarHBondContact NE-OD2 3.21Å; R105-D213 IonicContact NH2-OD1 3.51Å; R105-D213 PolarHBondContact NH2-OD1 2.93Å; R105-D213 IonicContact NH2-OD2 2.68Å; R105-D213 PolarHBondContact NH2-OD2 2.82Å |
| 106 | I | 95.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.1 | -41.3 | -179 | -54.6 | 161.3 | 0 | 0 | 0 | 109.8 | P103 D104 L108 Q109 V110 L132 L210 D213 I214 Y217 | P103-I106 PolarHBondContact O-N 3.3Å; D104-I106 PolarHBondContact O-N 3.33Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 2.71Å; I106-Q109 PolarHBondContact O-N 3.25Å; I106-V110 HydrophobicContact CG2-CG2 4.13Å; I106-V110 VanDerWaalsContact O-CB 3.32Å; I106-V110 WeakPolarHBondContact O-CB 3.5Å; I106-V110 WeakPolarHBondContact O-CG2 3.28Å; I106-V110 PolarHBondContact O-N 3.25Å; I106-L132 HydrophobicContact CB-CD1 3.95Å; I106-L132 HydrophobicContact CD1-CD1 4.03Å; I106-L132 HydrophobicContact CD1-CD2 4.12Å; I106-L132 HydrophobicContact CG2-CD1 3.74Å; I106-L210 HydrophobicContact CG2-CD2 4.18Å; I106-D213 HydrophobicContact CG1-CB 4.03Å; I106-I214 HydrophobicContact CD1-CG1 3.98Å; I106-I214 HydrophobicContact CG1-CG1 4.4Å; I106-I214 HydrophobicContact CG2-CD1 4.15Å; I106-I214 HydrophobicContact CG2-CG1 3.75Å; I106-Y217 HydrophobicContact CD1-CD2 4.25Å; I106-Y217 HydrophobicContact CD1-CG 4.07Å |
| 107 | V | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 178.4 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | P103 D104 V110 A111 A129 G318 I321 C322 | P103-V107 HydrophobicContact CB-CG2 4.01Å; P103-V107 WeakPolarHBondContact O-CG2 3.49Å; P103-V107 PolarHBondContact O-N 3.07Å; D104-V107 PolarHBondContact O-N 3.35Å; V107-V110 PolarHBondContact O-N 2.88Å; V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 3.11Å; V107-A129 HydrophobicContact CG2-CB 4.01Å; V107-G318 WeakPolarHBondContact CG1-O 3.5Å; V107-I321 HydrophobicContact CG1-CB 3.66Å; V107-I321 HydrophobicContact CG1-CD1 4.19Å; V107-I321 HydrophobicContact CG1-CG2 3.71Å; V107-C322 HydrophobicContact CG1-CB 4.39Å; V107-C322 PolarHBondContact O-SG 3.1Å |
| 108 | L | 93.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 47 Ų | 47 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -47.9 | 173.6 | -75.4 | 163.1 | 0 | 0 | 0 | 111.3 | D104 R105 I106 V110 A111 C112 I321 | D104-L108 WeakPolarHBondContact O-CB 3.34Å; D104-L108 WeakPolarHBondContact O-CD1 3.5Å; D104-L108 VanDerWaalsContact O-CG 3.25Å; D104-L108 WeakPolarHBondContact O-CG 3.45Å; D104-L108 PolarHBondContact O-N 2.84Å; R105-L108 PolarHBondContact O-N 3.27Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 2.71Å; L108-V110 VanDerWaalsContact C-N 3.33Å; L108-V110 PolarHBondContact O-N 3.06Å; L108-A111 WeakPolarHBondContact O-CB 3.41Å; L108-A111 PolarHBondContact O-N 2.82Å; L108-C112 PolarHBondContact O-N 2.76Å; L108-C112 PolarHBondContact O-SG 3.19Å; L108-I321 HydrophobicContact CD2-CD1 4.46Å; L108-I321 HydrophobicContact CD2-CG2 3.68Å; L108-I321 HydrophobicContact CG-CD1 4.44Å; L108-I321 HydrophobicContact CG-CG2 4.12Å |
| 109 | Q | 93.2 | Very high | 91.4 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.7 | -70.7 | 164.7 | -28.8 | 0 | 0 | 111.7 | R105 I106 A111 C112 Y113 L210 D213 | R105-Q109 WeakPolarHBondContact O-CG 3.3Å; R105-Q109 PolarHBondContact O-N 3.28Å; R105-Q109 VanDerWaalsContact O-N 3.1Å; R105-Q109 PolarHBondContact O-OE1 2.92Å; I106-Q109 PolarHBondContact O-N 3.25Å; Q109-A111 VanDerWaalsContact C-N 3.32Å; Q109-A111 PolarHBondContact O-N 2.86Å; Q109-C112 PolarHBondContact O-N 3.45Å; Q109-C112 VanDerWaalsContact O-N 3.15Å; Q109-Y113 HydrophobicContact CB-CD2 4.05Å; Q109-Y113 HydrophobicContact CB-CE2 3.71Å; Q109-Y113 HydrophobicContact CG-CE2 3.92Å; Q109-Y113 WeakPolarHBondContact O-CB 3.44Å; Q109-Y113 PolarHBondContact O-N 2.93Å; Q109-L210 HydrophobicContact CB-CD2 3.49Å; Q109-L210 VanDerWaalsContact CB-CD2 3.49Å; Q109-L210 HydrophobicContact CB-CG 4.4Å; Q109-D213 PolarHBondContact NE2-OD2 2.84Å; Q109-D213 PolarHBondContact OE1-OD2 2.75Å |
| 110 | V | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -35 | 176.9 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | I106 V107 L108 C112 V114 R125 V128 L210 | I106-V110 HydrophobicContact CG2-CG2 4.13Å; I106-V110 VanDerWaalsContact O-CB 3.32Å; I106-V110 WeakPolarHBondContact O-CB 3.5Å; I106-V110 WeakPolarHBondContact O-CG2 3.28Å; I106-V110 PolarHBondContact O-N 3.25Å; V107-V110 PolarHBondContact O-N 2.88Å; L108-V110 VanDerWaalsContact C-N 3.33Å; L108-V110 PolarHBondContact O-N 3.06Å; V110-C112 VanDerWaalsContact C-N 3.35Å; V110-V114 HydrophobicContact CG1-CG2 4.1Å; V110-V114 WeakPolarHBondContact O-CB 3.2Å; V110-V114 PolarHBondContact O-N 2.93Å; V110-R125 HydrophobicContact CG1-CB 3.95Å; V110-R125 HydrophobicContact CG1-CG 3.74Å; V110-R125 WeakPolarHBondContact O-CD 3.19Å; V110-V128 HydrophobicContact CB-CG1 4.47Å; V110-V128 HydrophobicContact CG1-CB 4.28Å; V110-V128 HydrophobicContact CG1-CG1 4.16Å; V110-V128 HydrophobicContact CG2-CG1 3.63Å; V110-L210 HydrophobicContact CG2-CD1 4.48Å; V110-L210 HydrophobicContact CG2-CD2 3.65Å |
| 111 | A | 92.8 | Very high | 91 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.4 | -31.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | V107 L108 Q109 I321 Y326 | V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 3.11Å; L108-A111 WeakPolarHBondContact O-CB 3.41Å; L108-A111 PolarHBondContact O-N 2.82Å; Q109-A111 VanDerWaalsContact C-N 3.32Å; Q109-A111 PolarHBondContact O-N 2.86Å; A111-I321 HydrophobicContact CB-CG2 4.01Å; A111-Y326 WeakPolarHBondContact O-CD2 3.42Å; A111-Y326 VanDerWaalsContact O-CE2 3.25Å; A111-Y326 WeakPolarHBondContact O-CE2 3.21Å |
| 112 | C | 90.3 | Very high | 91.2 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 57% | 0.574 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -85 | -41.7 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 113.7 | L108 Q109 V110 | L108-C112 PolarHBondContact O-N 2.76Å; L108-C112 PolarHBondContact O-SG 3.19Å; Q109-C112 PolarHBondContact O-N 3.45Å; Q109-C112 VanDerWaalsContact O-N 3.15Å; V110-C112 VanDerWaalsContact C-N 3.35Å |
| 113 | Y | 92.3 | Very high | 91.2 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -94.1 | -22.4 | -166.3 | -53.7 | -15.1 | 0 | 0 | 0 | 113.7 | Q109 Q115 L206 L210 | Q109-Y113 HydrophobicContact CB-CD2 4.05Å; Q109-Y113 HydrophobicContact CB-CE2 3.71Å; Q109-Y113 HydrophobicContact CG-CE2 3.92Å; Q109-Y113 WeakPolarHBondContact O-CB 3.44Å; Q109-Y113 PolarHBondContact O-N 2.93Å; Y113-Q115 PolarHBondContact O-N 2.78Å; Y113-L206 HydrophobicContact CD1-CD1 4.09Å; Y113-L206 HydrophobicContact CD1-CD2 3.8Å; Y113-L206 HydrophobicContact CD1-CG 4.42Å; Y113-L206 HydrophobicContact CD2-CB 3.91Å; Y113-L206 HydrophobicContact CD2-CD2 3.95Å; Y113-L206 HydrophobicContact CD2-CG 4.37Å; Y113-L206 HydrophobicContact CE1-CD2 3.69Å; Y113-L206 HydrophobicContact CE2-CB 4.45Å; Y113-L206 HydrophobicContact CE2-CD2 3.83Å; Y113-L206 HydrophobicContact CG-CB 4.09Å; Y113-L206 HydrophobicContact CG-CD1 4.07Å; Y113-L206 HydrophobicContact CG-CD2 3.96Å; Y113-L206 HydrophobicContact CG-CG 4.26Å; Y113-L210 HydrophobicContact CD2-CD1 3.86Å; Y113-L210 HydrophobicContact CD2-CD2 4.35Å; Y113-L210 HydrophobicContact CD2-CG 3.84Å; Y113-L210 HydrophobicContact CE2-CG 4.32Å |
| 114 | V | 90.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89.4 | 81.1 | 174.5 | -175 | 0 | 0 | 0 | 0 | 109.2 | V110 S116 I124 R125 L192 L200 I201 | V110-V114 HydrophobicContact CG1-CG2 4.1Å; V110-V114 WeakPolarHBondContact O-CB 3.2Å; V110-V114 PolarHBondContact O-N 2.93Å; V114-S116 PolarHBondContact O-N 3.41Å; V114-I124 HydrophobicContact CG1-CB 4.42Å; V114-I124 HydrophobicContact CG1-CG2 3.92Å; V114-R125 HydrophobicContact CB-CG 3.74Å; V114-R125 HydrophobicContact CG1-CG 3.92Å; V114-R125 HydrophobicContact CG2-CG 4.36Å; V114-R125 PolarHBondContact O-NH1 3.26Å; V114-L192 HydrophobicContact CG2-CD2 4.2Å; V114-L200 CarbonylContact C-O 3.51Å; V114-L200 WeakPolarHBondContact CA-O 3.47Å; V114-L200 HydrophobicContact CG1-CB 4.5Å; V114-I201 HydrophobicContact CG2-CD1 4.35Å; V114-I201 HydrophobicContact CG2-CG1 4.2Å |
| 115 | Q | 83.2 | Confident | 91.2 | Very high | 95 Ų | 95 | 57 Ų | 57 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | trans | -77.2 | 84.6 | -173.6 | -65.7 | -170.5 | 9.9 | 0 | 0 | 112.3 | Y113 L200 E202 | Y113-Q115 PolarHBondContact O-N 2.78Å; Q115-L200 PolarHBondContact N-O 3.09Å; Q115-E202 PolarHBondContact NE2-OE1 2.83Å; Q115-E202 PolarHBondContact OE1-OE1 3.3Å | ||
| 116 | S | 83.2 | Confident | 91.2 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | trans | -158.4 | 133.1 | 156.9 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | V114 D118 R125 Y326 | V114-S116 PolarHBondContact O-N 3.41Å; S116-D118 VanDerWaalsContact C-N 3.26Å; S116-D118 WeakPolarHBondContact CB-OD1 3.39Å; S116-D118 WeakPolarHBondContact OG-CB 3.43Å; S116-D118 VanDerWaalsContact OG-CG 3.3Å; S116-D118 PolarHBondContact OG-N 3.35Å; S116-D118 PolarHBondContact OG-OD1 2.9Å; S116-R125 PolarHBondContact O-NH1 3.34Å; S116-R125 PolarHBondContact O-NH2 3.16Å; S116-R125 VanDerWaalsContact O-NH2 3.15Å; S116-Y326 PolarHBondContact N-OH 2.75Å; S116-Y326 PolarHBondContact O-OH 2.94Å | ||
| 117 | A | 83.3 | Confident | 91.2 | Very high | 91 Ų | 91 | 54.5 Ų | 54.5 | 75% | 0.752 | 28% | 0.281 | S | S | * | . | trans | -80.7 | -4.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y326 | A117-Y326 HydrophobicContact CB-CE1 4.14Š| ||
| 118 | D | 87.9 | Confident | 91.3 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -73.2 | 168.7 | -179.4 | 98.7 | -65.4 | 0 | 0 | 0 | 112.9 | S116 K120 G121 R122 | S116-D118 VanDerWaalsContact C-N 3.26Å; S116-D118 WeakPolarHBondContact CB-OD1 3.39Å; S116-D118 WeakPolarHBondContact OG-CB 3.43Å; S116-D118 VanDerWaalsContact OG-CG 3.3Å; S116-D118 PolarHBondContact OG-N 3.35Å; S116-D118 PolarHBondContact OG-OD1 2.9Å; D118-K120 VanDerWaalsContact CG-N 3.29Å; D118-K120 PolarHBondContact O-N 3.49Å; D118-K120 PolarHBondContact OD1-N 2.99Å; D118-K120 WeakPolarHBondContact OD2-CB 3.23Å; D118-K120 PolarHBondContact OD2-N 2.97Å; D118-G121 PolarHBondContact O-N 2.8Å; D118-G121 PolarHBondContact OD1-N 3.33Å; D118-R122 WeakPolarHBondContact O-CB 3.21Å; D118-R122 PolarHBondContact O-N 2.91Å |
| 119 | Q | 90.6 | Very high | 91.4 | Very high | 151 Ų | 151 | 50 Ų | 50 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.9 | -33.1 | 179.3 | -176 | 173.9 | -11.4 | 0 | 0 | 112.6 | M123 | Q119-M123 HydrophobicContact CG-SD 4.17Å; Q119-M123 WeakPolarHBondContact O-CB 3.47Å; Q119-M123 VanDerWaalsContact O-CG 3.23Å; Q119-M123 WeakPolarHBondContact O-CG 3.4Å; Q119-M123 PolarHBondContact O-N 3.15Å |
| 120 | K | 90.9 | Very high | 91.5 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 39% | 0.387 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.9 | -48.4 | 178.2 | -165.5 | -173 | -175 | -170.4 | 0 | 111.9 | D118 R122 M123 I124 E198 | D118-K120 VanDerWaalsContact CG-N 3.29Å; D118-K120 PolarHBondContact O-N 3.49Å; D118-K120 PolarHBondContact OD1-N 2.99Å; D118-K120 WeakPolarHBondContact OD2-CB 3.23Å; D118-K120 PolarHBondContact OD2-N 2.97Å; K120-R122 VanDerWaalsContact C-N 3.33Å; K120-R122 PolarHBondContact O-N 3.3Å; K120-M123 PolarHBondContact O-N 3.16Å; K120-M123 VanDerWaalsContact O-N 3.15Å; K120-I124 HydrophobicContact CG-CD1 4.16Å; K120-I124 WeakPolarHBondContact O-CG1 3.44Å; K120-I124 PolarHBondContact O-N 3.26Å; K120-E198 WeakPolarHBondContact CE-OE2 3.43Å; K120-E198 IonicContact NZ-OE1 3.85Å; K120-E198 PolarHBondContact NZ-OE1 2.95Å; K120-E198 IonicContact NZ-OE2 3.79Å; K120-E198 PolarHBondContact NZ-OE2 2.8Å |
| 121 | G | 90.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | D118 M123 I124 R125 | D118-G121 PolarHBondContact O-N 2.8Å; D118-G121 PolarHBondContact OD1-N 3.33Å; G121-M123 PolarHBondContact O-N 2.94Å; G121-I124 PolarHBondContact O-N 3.35Å; G121-R125 WeakPolarHBondContact O-CG 3.38Å; G121-R125 PolarHBondContact O-N 3.04Å |
| 122 | R | 92.6 | Very high | 91.9 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 172 | -174.3 | -175 | -174.3 | -171.1 | 3.9 | 112.1 | D118 K120 R126 D323 | D118-R122 WeakPolarHBondContact O-CB 3.21Å; D118-R122 PolarHBondContact O-N 2.91Å; K120-R122 VanDerWaalsContact C-N 3.33Å; K120-R122 PolarHBondContact O-N 3.3Å; R122-R126 WeakPolarHBondContact O-CB 3.17Å; R122-R126 VanDerWaalsContact O-CG 3.32Å; R122-R126 WeakPolarHBondContact O-CG 3.42Å; R122-R126 PolarHBondContact O-N 2.91Å; R122-D323 WeakPolarHBondContact CD-OD1 3.36Å; R122-D323 WeakPolarHBondContact CG-OD1 3.42Å; R122-D323 IonicContact CZ-OD1 3.79Å; R122-D323 IonicContact CZ-OD2 3.47Å; R122-D323 IonicContact NE-OD1 3.86Å; R122-D323 PolarHBondContact NE-OD1 3.4Å; R122-D323 IonicContact NE-OD2 3.39Å; R122-D323 PolarHBondContact NE-OD2 3.25Å; R122-D323 VanDerWaalsContact NE-OD2 3.07Å; R122-D323 IonicContact NH2-OD1 3.83Å; R122-D323 PolarHBondContact NH2-OD1 3.43Å; R122-D323 IonicContact NH2-OD2 2.64Å; R122-D323 PolarHBondContact NH2-OD2 3.1Å |
| 123 | M | 93.5 | Very high | 92.2 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 54% | 0.542 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.5 | -78.7 | 173.9 | 64.4 | 0 | 0 | 112.5 | Q119 K120 G121 T127 | Q119-M123 HydrophobicContact CG-SD 4.17Å; Q119-M123 WeakPolarHBondContact O-CB 3.47Å; Q119-M123 VanDerWaalsContact O-CG 3.23Å; Q119-M123 WeakPolarHBondContact O-CG 3.4Å; Q119-M123 PolarHBondContact O-N 3.15Å; K120-M123 PolarHBondContact O-N 3.16Å; K120-M123 VanDerWaalsContact O-N 3.15Å; G121-M123 PolarHBondContact O-N 2.94Å; M123-T127 WeakPolarHBondContact O-CB 3.17Å; M123-T127 PolarHBondContact O-N 3.26Å; M123-T127 PolarHBondContact O-OG1 2.95Å |
| 124 | I | 93.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -53.9 | 178 | -71.2 | 162.7 | 0 | 0 | 0 | 110.3 | V114 K120 G121 R126 T127 V128 L191 A195 L200 | V114-I124 HydrophobicContact CG1-CB 4.42Å; V114-I124 HydrophobicContact CG1-CG2 3.92Å; K120-I124 HydrophobicContact CG-CD1 4.16Å; K120-I124 WeakPolarHBondContact O-CG1 3.44Å; K120-I124 PolarHBondContact O-N 3.26Å; G121-I124 PolarHBondContact O-N 3.35Å; I124-R126 PolarHBondContact O-N 3.16Å; I124-T127 PolarHBondContact O-N 3.1Å; I124-T127 VanDerWaalsContact O-N 3.1Å; I124-V128 WeakPolarHBondContact O-CG2 3.38Å; I124-V128 PolarHBondContact O-N 3.39Å; I124-L191 HydrophobicContact CG1-CD1 4.23Å; I124-L191 HydrophobicContact CG2-CG 4.32Å; I124-A195 HydrophobicContact CD1-CB 4.37Å; I124-A195 HydrophobicContact CG2-CB 4.24Å; I124-L200 HydrophobicContact CD1-CD1 3.38Å |
| 125 | R | 94.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | -179.8 | -69.9 | -165.6 | -64.5 | -79.8 | -3.2 | 112.5 | V110 V114 S116 G121 T127 V128 A129 C322 Y326 | V110-R125 HydrophobicContact CG1-CB 3.95Å; V110-R125 HydrophobicContact CG1-CG 3.74Å; V110-R125 WeakPolarHBondContact O-CD 3.19Å; V114-R125 HydrophobicContact CB-CG 3.74Å; V114-R125 HydrophobicContact CG1-CG 3.92Å; V114-R125 HydrophobicContact CG2-CG 4.36Å; V114-R125 PolarHBondContact O-NH1 3.26Å; S116-R125 PolarHBondContact O-NH1 3.34Å; S116-R125 PolarHBondContact O-NH2 3.16Å; S116-R125 VanDerWaalsContact O-NH2 3.15Å; G121-R125 WeakPolarHBondContact O-CG 3.38Å; G121-R125 PolarHBondContact O-N 3.04Å; R125-T127 VanDerWaalsContact C-N 3.32Å; R125-T127 PolarHBondContact O-N 3.19Å; R125-V128 PolarHBondContact O-N 2.86Å; R125-A129 PolarHBondContact O-N 2.89Å; R125-A129 VanDerWaalsContact O-N 3.08Å; R125-C322 HydrophobicContact CB-CB 3.88Å; R125-C322 PolarHBondContact NE-O 3.17Å; R125-Y326 VanDerWaalsContact NH1-CE2 3.3Å; R125-Y326 VanDerWaalsContact NH2-CD1 3.35Å; R125-Y326 VanDerWaalsContact NH2-CG 3.32Å |
| 126 | R | 94.5 | Very high | 93.3 | Very high | 71 Ų | 71 | 39 Ų | 39 | 27% | 0.268 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 175.3 | -70.7 | -175.8 | 69.3 | 86.4 | 14.3 | 112.7 | R122 I124 R130 Y319 D323 | R122-R126 WeakPolarHBondContact O-CB 3.17Å; R122-R126 VanDerWaalsContact O-CG 3.32Å; R122-R126 WeakPolarHBondContact O-CG 3.42Å; R122-R126 PolarHBondContact O-N 2.91Å; I124-R126 PolarHBondContact O-N 3.16Å; R126-R130 VanDerWaalsContact O-CB 3.24Å; R126-R130 WeakPolarHBondContact O-CB 3.45Å; R126-R130 PolarHBondContact O-N 3.13Å; R126-Y319 HydrophobicContact CB-CD1 4.38Å; R126-Y319 HydrophobicContact CB-CE1 4.28Å; R126-Y319 HydrophobicContact CG-CD1 4.28Å; R126-Y319 VanDerWaalsContact NH2-CD1 3.35Å; R126-D323 WeakPolarHBondContact CD-OD2 3.3Å; R126-D323 HydrophobicContact CG-CB 4.15Å; R126-D323 IonicContact CZ-OD2 2.76Å; R126-D323 IonicContact NE-OD2 2.69Å; R126-D323 IonicContact NH1-OD2 3.84Å; R126-D323 PolarHBondContact NH1-OD2 3.15Å |
| 127 | T | 96 | Very high | 93.9 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 16% | 0.16 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.3 | -38.7 | -179.5 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | M123 I124 R125 R130 Y131 L191 | M123-T127 WeakPolarHBondContact O-CB 3.17Å; M123-T127 PolarHBondContact O-N 3.26Å; M123-T127 PolarHBondContact O-OG1 2.95Å; I124-T127 PolarHBondContact O-N 3.1Å; I124-T127 VanDerWaalsContact O-N 3.1Å; R125-T127 VanDerWaalsContact C-N 3.32Å; R125-T127 PolarHBondContact O-N 3.19Å; T127-R130 PolarHBondContact O-N 2.83Å; T127-Y131 HydrophobicContact CG2-CD1 4.15Å; T127-Y131 HydrophobicContact CG2-CD2 3.94Å; T127-Y131 HydrophobicContact CG2-CE1 3.72Å; T127-Y131 HydrophobicContact CG2-CE2 3.49Å; T127-Y131 VanDerWaalsContact CG2-CE2 3.49Å; T127-Y131 HydrophobicContact CG2-CG 4.25Å; T127-Y131 WeakPolarHBondContact O-CB 3.31Å; T127-Y131 VanDerWaalsContact O-CG 3.3Å; T127-Y131 PolarHBondContact O-N 3.09Å; T127-L191 HydrophobicContact CG2-CD2 3.57Å |
| 128 | V | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 171.5 | 166.7 | 0 | 0 | 0 | 0 | 111 | V110 I124 R125 R130 Y131 L132 L191 L192 | V110-V128 HydrophobicContact CB-CG1 4.47Å; V110-V128 HydrophobicContact CG1-CB 4.28Å; V110-V128 HydrophobicContact CG1-CG1 4.16Å; V110-V128 HydrophobicContact CG2-CG1 3.63Å; I124-V128 WeakPolarHBondContact O-CG2 3.38Å; I124-V128 PolarHBondContact O-N 3.39Å; R125-V128 PolarHBondContact O-N 2.86Å; V128-R130 VanDerWaalsContact C-N 3.26Å; V128-R130 PolarHBondContact O-N 3.1Å; V128-Y131 PolarHBondContact O-N 3.46Å; V128-L132 HydrophobicContact CG1-CD1 4.37Å; V128-L132 WeakPolarHBondContact O-CG 3.21Å; V128-L132 PolarHBondContact O-N 3.37Å; V128-L132 VanDerWaalsContact O-N 3.13Å; V128-L191 HydrophobicContact CG2-CD2 4.01Å; V128-L191 HydrophobicContact CG2-CG 4.5Å; V128-L192 HydrophobicContact CG2-CD2 3.93Å; V128-L192 HydrophobicContact CG2-CG 4.08Å |
| 129 | A | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.2 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V107 R125 N133 | V107-A129 HydrophobicContact CG2-CB 4.01Å; R125-A129 PolarHBondContact O-N 2.89Å; R125-A129 VanDerWaalsContact O-N 3.08Å; A129-N133 PolarHBondContact O-N 2.77Å; A129-N133 PolarHBondContact O-ND2 3.47Å |
| 130 | R | 96.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 6% | 0.06 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.5 | -39.3 | 177.1 | -175.5 | 174.9 | 57.7 | 84.7 | -4.2 | 112.9 | R126 T127 V128 N133 L134 G161 F162 N164 E167 Y319 | R126-R130 VanDerWaalsContact O-CB 3.24Å; R126-R130 WeakPolarHBondContact O-CB 3.45Å; R126-R130 PolarHBondContact O-N 3.13Å; T127-R130 PolarHBondContact O-N 2.83Å; V128-R130 VanDerWaalsContact C-N 3.26Å; V128-R130 PolarHBondContact O-N 3.1Å; R130-N133 PolarHBondContact O-N 3.4Å; R130-L134 VanDerWaalsContact O-CB 3.22Å; R130-L134 WeakPolarHBondContact O-CB 3.25Å; R130-L134 PolarHBondContact O-N 2.96Å; R130-G161 WeakPolarHBondContact CD-O 3.29Å; R130-F162 WeakPolarHBondContact CD-O 3.49Å; R130-F162 VanDerWaalsContact CG-O 3.23Å; R130-F162 WeakPolarHBondContact CG-O 3.41Å; R130-F162 PolarHBondContact NH1-O 3.21Å; R130-N164 PolarHBondContact NH2-ND2 3.4Å; R130-E167 IonicContact CZ-OE1 2.78Å; R130-E167 IonicContact CZ-OE2 2.72Å; R130-E167 IonicContact NH1-OE1 2.64Å; R130-E167 PolarHBondContact NH1-OE1 3.2Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 2.67Å; R130-E167 IonicContact NH2-OE1 3.36Å; R130-E167 PolarHBondContact NH2-OE1 2.79Å; R130-E167 IonicContact NH2-OE2 2.74Å; R130-Y319 HydrophobicContact CB-CE1 4.35Å; R130-Y319 WeakPolarHBondContact CD-OH 3.19Å |
| 131 | Y | 97.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 20 Ų | 20 | 11% | 0.11 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.1 | -36.4 | 178.7 | -73.3 | -12.6 | 0 | 0 | 0 | 113 | T127 V128 L134 A135 P184 W187 C188 L191 | T127-Y131 HydrophobicContact CG2-CD1 4.15Å; T127-Y131 HydrophobicContact CG2-CD2 3.94Å; T127-Y131 HydrophobicContact CG2-CE1 3.72Å; T127-Y131 HydrophobicContact CG2-CE2 3.49Å; T127-Y131 VanDerWaalsContact CG2-CE2 3.49Å; T127-Y131 HydrophobicContact CG2-CG 4.25Å; T127-Y131 WeakPolarHBondContact O-CB 3.31Å; T127-Y131 VanDerWaalsContact O-CG 3.3Å; T127-Y131 PolarHBondContact O-N 3.09Å; V128-Y131 PolarHBondContact O-N 3.46Å; Y131-L134 PolarHBondContact O-N 3.15Å; Y131-A135 PolarHBondContact O-N 2.78Å; Y131-P184 WeakPolarHBondContact O-CB 3.31Å; Y131-W187 HydrophobicContact CD1-CE3 4.26Å; Y131-W187 HydrophobicContact CD2-CB 3.78Å; Y131-W187 AromaticContact CE1-CE3 3.84Å; Y131-W187 HydrophobicContact CE1-CE3 3.84Å; Y131-W187 HydrophobicContact CE1-CZ3 4.36Å; Y131-W187 HydrophobicContact CE2-CB 3.49Å; Y131-W187 VanDerWaalsContact CE2-CB 3.49Å; Y131-W187 HydrophobicContact CE2-CE3 4.36Å; Y131-W187 HydrophobicContact CE2-CG 4.44Å; Y131-W187 AromaticContact CZ-CE3 3.89Å; Y131-C188 HydrophobicContact CD2-CB 4.33Å; Y131-L191 HydrophobicContact CE2-CD2 4.26Å |
| 132 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.1 | -51.7 | 171.3 | -65.7 | 169 | 0 | 0 | 0 | 110.8 | P103 I106 V128 L134 A135 Q136 I185 I214 Y217 | P103-L132 HydrophobicContact CB-CB 4.31Å; P103-L132 HydrophobicContact CB-CD1 4.27Å; I106-L132 HydrophobicContact CB-CD1 3.95Å; I106-L132 HydrophobicContact CD1-CD1 4.03Å; I106-L132 HydrophobicContact CD1-CD2 4.12Å; I106-L132 HydrophobicContact CG2-CD1 3.74Å; V128-L132 HydrophobicContact CG1-CD1 4.37Å; V128-L132 WeakPolarHBondContact O-CG 3.21Å; V128-L132 PolarHBondContact O-N 3.37Å; V128-L132 VanDerWaalsContact O-N 3.13Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 3.35Å; L132-A135 PolarHBondContact O-N 2.92Å; L132-Q136 PolarHBondContact O-N 3.06Å; L132-I185 HydrophobicContact CD2-CD1 4.19Å; L132-I214 HydrophobicContact CD2-CG1 4.31Å; L132-I214 HydrophobicContact CD2-CG2 4.34Å; L132-Y217 HydrophobicContact CB-CE1 4.05Å; L132-Y217 HydrophobicContact CD2-CD1 3.83Å; L132-Y217 HydrophobicContact CD2-CE1 3.93Å; L132-Y217 HydrophobicContact CD2-CG 4.48Å; L132-Y217 PolarHBondContact O-OH 3.1Å |
| 133 | N | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61 | -33.8 | 176.1 | -80.9 | -65.9 | 0 | 0 | 0 | 112.8 | A129 R130 T137 F162 N314 L315 | A129-N133 PolarHBondContact O-N 2.77Å; A129-N133 PolarHBondContact O-ND2 3.47Å; R130-N133 PolarHBondContact O-N 3.4Å; N133-T137 VanDerWaalsContact O-CB 3.22Å; N133-T137 WeakPolarHBondContact O-CB 3.46Å; N133-T137 PolarHBondContact O-N 3.32Å; N133-T137 PolarHBondContact O-OG1 2.8Å; N133-F162 HydrophobicContact CB-CD1 4.36Å; N133-F162 HydrophobicContact CB-CE1 4.28Å; N133-N314 PolarHBondContact ND2-O 2.71Å; N133-N314 VanDerWaalsContact ND2-O 3.15Å; N133-N314 VanDerWaalsContact OD1-C 3.29Å; N133-N314 WeakPolarHBondContact OD1-CB 3.38Å; N133-L315 HydrophobicContact CB-CD1 4.11Å; N133-L315 PolarHBondContact OD1-N 3.03Å |
| 134 | L | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.3 | -45.6 | 175.3 | 175.5 | 61.8 | 0 | 0 | 0 | 111.5 | R130 Y131 L132 Q136 T137 L138 V157 F162 M163 P184 W187 | R130-L134 VanDerWaalsContact O-CB 3.22Å; R130-L134 WeakPolarHBondContact O-CB 3.25Å; R130-L134 PolarHBondContact O-N 2.96Å; Y131-L134 PolarHBondContact O-N 3.15Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 3.35Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 2.83Å; L134-T137 PolarHBondContact O-N 3.4Å; L134-L138 HydrophobicContact CD1-CD1 4.3Å; L134-L138 HydrophobicContact CD1-CG 4.15Å; L134-L138 HydrophobicContact CG-CD1 4.27Å; L134-L138 WeakPolarHBondContact O-CB 3.32Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.33Å; L134-L138 PolarHBondContact O-N 2.84Å; L134-V157 HydrophobicContact CD1-CG1 3.72Å; L134-F162 HydrophobicContact CD1-CB 3.9Å; L134-M163 HydrophobicContact CD1-CB 4.05Å; L134-M163 HydrophobicContact CD1-CE 4.26Å; L134-M163 HydrophobicContact CD2-CB 4.07Å; L134-M163 HydrophobicContact CD2-CE 3.95Å; L134-M163 HydrophobicContact CD2-CG 4.38Å; L134-P184 HydrophobicContact CB-CB 4.47Å; L134-P184 HydrophobicContact CB-CG 4.46Å; L134-P184 HydrophobicContact CD2-CB 4.13Å; L134-P184 HydrophobicContact CD2-CG 3.71Å; L134-P184 HydrophobicContact CG-CB 4.3Å; L134-P184 HydrophobicContact CG-CG 3.8Å; L134-W187 HydrophobicContact CD2-CZ3 4.44Å |
| 135 | A | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y131 L132 L138 V139 P184 I185 L221 | Y131-A135 PolarHBondContact O-N 2.78Å; L132-A135 PolarHBondContact O-N 2.92Å; A135-L138 PolarHBondContact O-N 2.83Å; A135-V139 PolarHBondContact O-N 2.95Å; A135-V139 VanDerWaalsContact O-N 3.16Å; A135-P184 HydrophobicContact CB-CB 4.26Å; A135-I185 HydrophobicContact CB-CD1 3.59Å; A135-I185 HydrophobicContact CB-CG1 3.83Å; A135-L221 HydrophobicContact CB-CD1 4.06Å |
| 136 | Q | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 174.4 | 174.2 | 165.9 | 27.9 | 0 | 0 | 112 | G101 L132 L134 L138 V139 L140 Y217 L221 N314 | G101-Q136 PolarHBondContact O-NE2 2.96Å; G101-Q136 PolarHBondContact O-OE1 3.2Å; L132-Q136 PolarHBondContact O-N 3.06Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 2.83Å; Q136-L138 VanDerWaalsContact C-N 3.35Å; Q136-L138 PolarHBondContact O-N 3.06Å; Q136-V139 PolarHBondContact O-N 3.01Å; Q136-L140 HydrophobicContact CG-CD1 3.47Å; Q136-L140 VanDerWaalsContact CG-CD1 3.47Å; Q136-L140 HydrophobicContact CG-CG 4.15Å; Q136-L140 WeakPolarHBondContact O-CB 3.24Å; Q136-L140 WeakPolarHBondContact O-CG 3.38Å; Q136-L140 PolarHBondContact O-N 2.9Å; Q136-Y217 WeakPolarHBondContact CB-OH 3.39Å; Q136-Y217 PolarHBondContact OE1-OH 2.83Å; Q136-L221 HydrophobicContact CB-CD1 4.25Å; Q136-L221 HydrophobicContact CB-CD2 4.02Å; Q136-L221 HydrophobicContact CG-CD2 4.16Å; Q136-N314 PolarHBondContact OE1-ND2 2.8Å |
| 137 | T | 95.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | N133 L134 R141 F151 F162 | N133-T137 VanDerWaalsContact O-CB 3.22Å; N133-T137 WeakPolarHBondContact O-CB 3.46Å; N133-T137 PolarHBondContact O-N 3.32Å; N133-T137 PolarHBondContact O-OG1 2.8Å; L134-T137 PolarHBondContact O-N 3.4Å; T137-R141 WeakPolarHBondContact O-CB 3.41Å; T137-R141 PolarHBondContact O-N 3.47Å; T137-F151 HydrophobicContact CG2-CD2 3.74Å; T137-F151 HydrophobicContact CG2-CE2 3.62Å; T137-F151 HydrophobicContact CG2-CZ 4.36Å; T137-F162 WeakPolarHBondContact OG1-CE1 3.34Å |
| 138 | L | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.8 | -73 | 172.4 | 0 | 0 | 0 | 112 | L134 A135 Q136 D142 M154 Y171 F181 P184 | L134-L138 HydrophobicContact CD1-CD1 4.3Å; L134-L138 HydrophobicContact CD1-CG 4.15Å; L134-L138 HydrophobicContact CG-CD1 4.27Å; L134-L138 WeakPolarHBondContact O-CB 3.32Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.33Å; L134-L138 PolarHBondContact O-N 2.84Å; A135-L138 PolarHBondContact O-N 2.83Å; Q136-L138 VanDerWaalsContact C-N 3.35Å; Q136-L138 PolarHBondContact O-N 3.06Å; L138-D142 PolarHBondContact O-N 3.32Å; L138-M154 HydrophobicContact CD2-CE 3.61Å; L138-M154 HydrophobicContact CD2-SD 3.85Å; L138-Y171 HydrophobicContact CD1-CE2 3.92Å; L138-F181 HydrophobicContact CB-CB 4.26Å; L138-P184 HydrophobicContact CD1-CG 4.01Å |
| 139 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.6 | -54.5 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | A135 Q136 R141 D142 I143 F181 L221 L224 L225 | A135-V139 PolarHBondContact O-N 2.95Å; A135-V139 VanDerWaalsContact O-N 3.16Å; Q136-V139 PolarHBondContact O-N 3.01Å; V139-R141 VanDerWaalsContact C-N 3.28Å; V139-R141 PolarHBondContact O-N 3.44Å; V139-D142 PolarHBondContact O-N 3.37Å; V139-I143 HydrophobicContact CG1-CD1 3.94Å; V139-I143 WeakPolarHBondContact O-CG1 3.32Å; V139-I143 PolarHBondContact O-N 2.71Å; V139-F181 HydrophobicContact CG2-CB 3.61Å; V139-F181 HydrophobicContact CG2-CD1 4.28Å; V139-F181 HydrophobicContact CG2-CD2 3.46Å; V139-F181 VanDerWaalsContact CG2-CD2 3.46Å; V139-F181 HydrophobicContact CG2-CE2 4.18Å; V139-F181 HydrophobicContact CG2-CG 3.52Å; V139-L221 HydrophobicContact CG2-CB 4.33Å; V139-L224 HydrophobicContact CG1-CB 4.22Å; V139-L224 HydrophobicContact CG1-CD1 4.37Å; V139-L225 HydrophobicContact CG1-CD2 3.86Å; V139-L225 HydrophobicContact CG1-CG 3.97Å; V139-L225 HydrophobicContact CG2-CD1 4.15Å; V139-L225 HydrophobicContact CG2-CD2 4.44Å; V139-L225 HydrophobicContact CG2-CG 4.31Å |
| 140 | L | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -35.2 | -176.4 | -67.1 | 171.6 | 0 | 0 | 0 | 112.3 | Q136 D142 S144 V147 L224 I307 V311 | Q136-L140 HydrophobicContact CG-CD1 3.47Å; Q136-L140 VanDerWaalsContact CG-CD1 3.47Å; Q136-L140 HydrophobicContact CG-CG 4.15Å; Q136-L140 WeakPolarHBondContact O-CB 3.24Å; Q136-L140 WeakPolarHBondContact O-CG 3.38Å; Q136-L140 PolarHBondContact O-N 2.9Å; L140-D142 VanDerWaalsContact C-N 3.27Å; L140-D142 PolarHBondContact O-N 2.83Å; L140-S144 WeakPolarHBondContact O-CA 3.2Å; L140-S144 WeakPolarHBondContact O-CB 3.32Å; L140-S144 PolarHBondContact O-N 2.89Å; L140-V147 HydrophobicContact CB-CG1 4.26Å; L140-V147 HydrophobicContact CB-CG2 4.28Å; L140-L224 HydrophobicContact CD2-CD1 4.3Å; L140-I307 HydrophobicContact CB-CG2 4.18Å; L140-I307 HydrophobicContact CD1-CG2 3.66Å; L140-I307 HydrophobicContact CD2-CG2 3.84Å; L140-I307 HydrophobicContact CG-CG2 4.1Å; L140-V311 HydrophobicContact CD1-CG2 3.64Å |
| 141 | R | 94 | Very high | 94.8 | Very high | 31 Ų | 31 | 24.8 Ų | 24.8 | 12% | 0.117 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.3 | -39.1 | 173 | 171 | -172.2 | 169.5 | -100.6 | 7.1 | 112.3 | T137 V139 V147 K148 F151 P152 | T137-R141 WeakPolarHBondContact O-CB 3.41Å; T137-R141 PolarHBondContact O-N 3.47Å; V139-R141 VanDerWaalsContact C-N 3.28Å; V139-R141 PolarHBondContact O-N 3.44Å; R141-V147 HydrophobicContact CB-CG1 4.18Å; R141-K148 HydrophobicContact CG-CD 4.05Å; R141-K148 VanDerWaalsContact O-CB 3.3Å; R141-K148 WeakPolarHBondContact O-CB 3.4Å; R141-K148 WeakPolarHBondContact O-CD 3.46Å; R141-F151 VanDerWaalsContact CD-O 3.29Å; R141-F151 WeakPolarHBondContact CD-O 3.29Å; R141-F151 HydrophobicContact CG-CB 4.35Å; R141-F151 WeakPolarHBondContact CG-O 3.35Å; R141-F151 PolarHBondContact NE-O 3.1Å; R141-P152 PolarHBondContact NH2-O 2.93Å |
| 142 | D | 92.2 | Very high | 94.5 | Very high | 66 Ų | 66 | 26.5 Ų | 26.5 | 35% | 0.353 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -92.3 | -14.9 | -171.8 | -69.7 | -23.8 | 0 | 0 | 0 | 113.3 | L138 V139 L140 K148 H179 | L138-D142 PolarHBondContact O-N 3.32Å; V139-D142 PolarHBondContact O-N 3.37Å; L140-D142 VanDerWaalsContact C-N 3.27Å; L140-D142 PolarHBondContact O-N 2.83Å; D142-K148 IonicContact OD1-NZ 2.88Å; D142-K148 PolarHBondContact OD1-NZ 3.35Å; D142-H179 IonicContact OD2-CE1 2.74Å; D142-H179 PolarHBondContact OD2-CE1 3.45Å; D142-H179 IonicContact OD2-ND1 2.71Å |
| 143 | I | 94 | Very high | 94.3 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -108.8 | -23.7 | 174.9 | 71.2 | -178.5 | 0 | 0 | 0 | 115.6 | V139 L224 L225 D228 L298 | V139-I143 HydrophobicContact CG1-CD1 3.94Å; V139-I143 WeakPolarHBondContact O-CG1 3.32Å; V139-I143 PolarHBondContact O-N 2.71Å; I143-L224 HydrophobicContact CD1-CB 3.8Å; I143-L225 HydrophobicContact CG2-CD2 3.76Å; I143-D228 HydrophobicContact CB-CB 3.98Å; I143-D228 HydrophobicContact CG2-CB 3.56Å; I143-L298 HydrophobicContact CB-CD1 4.49Å; I143-L298 HydrophobicContact CD1-CD1 3.53Å; I143-L298 HydrophobicContact CG1-CD1 3.75Å |
| 144 | S | 94.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | trans | -103.8 | 125.5 | -179.8 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | L140 A146 V147 K148 L298 | L140-S144 WeakPolarHBondContact O-CA 3.2Å; L140-S144 WeakPolarHBondContact O-CB 3.32Å; L140-S144 PolarHBondContact O-N 2.89Å; S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 PolarHBondContact O-N 3.47Å; S144-A146 PolarHBondContact OG-N 3.23Å; S144-V147 PolarHBondContact O-N 3.39Å; S144-K148 WeakPolarHBondContact O-CB 3.38Å; S144-K148 PolarHBondContact O-N 2.97Å; S144-L298 WeakPolarHBondContact CA-O 3.48Å; S144-L298 VanDerWaalsContact CB-O 3.29Å; S144-L298 WeakPolarHBondContact CB-O 3.27Å; S144-L298 PolarHBondContact OG-O 2.97Å | ||
| 145 | S | 92.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 34.8 Ų | 34.8 | 34% | 0.343 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.6 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | V147 K148 K149 G299 | S145-V147 VanDerWaalsContact C-N 3.31Å; S145-V147 PolarHBondContact O-N 2.84Å; S145-K148 PolarHBondContact O-N 3.47Å; S145-K149 WeakPolarHBondContact O-CG 3.42Å; S145-K149 PolarHBondContact O-N 3.41Å; S145-G299 WeakPolarHBondContact OG-CA 3.45Å |
| 146 | A | 91.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 38 Ų | 38 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S144 G299 E300 N308 | S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 PolarHBondContact O-N 3.47Å; S144-A146 PolarHBondContact OG-N 3.23Å; A146-G299 WeakPolarHBondContact CB-O 3.4Å; A146-E300 HydrophobicContact CB-CG 4.1Å; A146-N308 PolarHBondContact O-ND2 2.98Å |
| 147 | V | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -81.9 | -35.8 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 111 | L140 R141 S144 S145 K149 R150 F151 I307 | L140-V147 HydrophobicContact CB-CG1 4.26Å; L140-V147 HydrophobicContact CB-CG2 4.28Å; R141-V147 HydrophobicContact CB-CG1 4.18Å; S144-V147 PolarHBondContact O-N 3.39Å; S145-V147 VanDerWaalsContact C-N 3.31Å; S145-V147 PolarHBondContact O-N 2.84Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 2.82Å; V147-R150 WeakPolarHBondContact O-CB 3.34Å; V147-R150 PolarHBondContact O-N 3.27Å; V147-R150 VanDerWaalsContact O-N 3.08Å; V147-F151 HydrophobicContact CG1-CD2 3.62Å; V147-F151 HydrophobicContact CG1-CE2 3.94Å; V147-F151 PolarHBondContact O-N 2.91Å; V147-I307 HydrophobicContact CG2-CB 4.03Å; V147-I307 HydrophobicContact CG2-CG2 3.41Å; V147-I307 VanDerWaalsContact CG2-CG2 3.41Å |
| 148 | K | 94.6 | Very high | 93.5 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 34% | 0.343 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.3 | -38 | 175.7 | -170.6 | 50.7 | 151.5 | -157.7 | 0 | 113 | R141 D142 S144 S145 R150 F151 P152 | R141-K148 HydrophobicContact CG-CD 4.05Å; R141-K148 VanDerWaalsContact O-CB 3.3Å; R141-K148 WeakPolarHBondContact O-CB 3.4Å; R141-K148 WeakPolarHBondContact O-CD 3.46Å; D142-K148 IonicContact OD1-NZ 2.88Å; D142-K148 PolarHBondContact OD1-NZ 3.35Å; S144-K148 WeakPolarHBondContact O-CB 3.38Å; S144-K148 PolarHBondContact O-N 2.97Å; S145-K148 PolarHBondContact O-N 3.47Å; K148-R150 VanDerWaalsContact C-N 3.32Å; K148-F151 CarbonylContact O-C 3.59Å; K148-P152 WeakPolarHBondContact O-CA 3.16Å; K148-P152 WeakPolarHBondContact O-CG 3.4Å; K148-P152 VanDerWaalsContact O-N 3.15Å |
| 149 | K | 92.6 | Very high | 93.3 | Very high | 138 Ų | 138 | 46.4 Ų | 46.4 | 60% | 0.6 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -68.2 | -30.4 | 174.1 | -71.6 | -178.7 | -166.6 | 170.3 | 0 | 112.8 | S145 V147 E300 | S145-K149 WeakPolarHBondContact O-CG 3.42Å; S145-K149 PolarHBondContact O-N 3.41Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 2.82Å; K149-E300 VanDerWaalsContact CD-OE1 3.25Å; K149-E300 WeakPolarHBondContact CD-OE1 3.18Å; K149-E300 WeakPolarHBondContact CE-OE1 3.35Å; K149-E300 IonicContact NZ-OE1 3.81Å; K149-E300 PolarHBondContact NZ-OE1 2.95Å; K149-E300 IonicContact NZ-OE2 3.05Å; K149-E300 PolarHBondContact NZ-OE2 3.23Å |
| 150 | R | 92.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 49.1 Ų | 49.1 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -76.9 | -38.5 | 176.1 | -175.5 | -179 | -179.9 | 155.5 | 12 | 112.9 | V147 K148 P152 N308 E312 | V147-R150 WeakPolarHBondContact O-CB 3.34Å; V147-R150 PolarHBondContact O-N 3.27Å; V147-R150 VanDerWaalsContact O-N 3.08Å; K148-R150 VanDerWaalsContact C-N 3.32Å; R150-P152 VanDerWaalsContact C-CD 3.47Å; R150-N308 WeakPolarHBondContact CD-OD1 3.46Å; R150-N308 PolarHBondContact NH1-O 3.4Å; R150-N308 PolarHBondContact NH1-OD1 2.92Å; R150-E312 IonicContact CZ-OE1 2.71Å; R150-E312 IonicContact NH1-OE1 3.9Å; R150-E312 PolarHBondContact NH1-OE1 3.31Å; R150-E312 IonicContact NH2-OE1 3.24Å; R150-E312 PolarHBondContact NH2-OE1 2.67Å |
| 151 | F | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -124.3 | 64.7 | 179.5 | -48.2 | -61.5 | 0 | 0 | 0 | 112.9 | T137 R141 V147 K148 V157 S160 F162 V311 | T137-F151 HydrophobicContact CG2-CD2 3.74Å; T137-F151 HydrophobicContact CG2-CE2 3.62Å; T137-F151 HydrophobicContact CG2-CZ 4.36Å; R141-F151 VanDerWaalsContact CD-O 3.29Å; R141-F151 WeakPolarHBondContact CD-O 3.29Å; R141-F151 HydrophobicContact CG-CB 4.35Å; R141-F151 WeakPolarHBondContact CG-O 3.35Å; R141-F151 PolarHBondContact NE-O 3.1Å; V147-F151 HydrophobicContact CG1-CD2 3.62Å; V147-F151 HydrophobicContact CG1-CE2 3.94Å; V147-F151 PolarHBondContact O-N 2.91Å; K148-F151 CarbonylContact O-C 3.59Å; F151-V157 HydrophobicContact CB-CG2 3.84Å; F151-V157 HydrophobicContact CG-CG2 4.26Å; F151-S160 WeakPolarHBondContact CE1-OG 3.34Å; F151-F162 HydrophobicContact CE1-CE2 4.18Å; F151-F162 HydrophobicContact CZ-CD2 4.48Å; F151-F162 AromaticContact CZ-CE2 3.78Å; F151-F162 HydrophobicContact CZ-CE2 3.78Å; F151-F162 HydrophobicContact CZ-CZ 4.38Å; F151-V311 HydrophobicContact CE2-CG1 4.44Å |
| 152 | P | 92.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -62.6 | -55.2 | -176.2 | -21.1 | 32.7 | 0 | 0 | 0 | 112.4 | R141 K148 R150 | R141-P152 PolarHBondContact NH2-O 2.93Å; K148-P152 WeakPolarHBondContact O-CA 3.16Å; K148-P152 WeakPolarHBondContact O-CG 3.4Å; K148-P152 VanDerWaalsContact O-N 3.15Å; R150-P152 VanDerWaalsContact C-CD 3.47Å |
| 153 | T | 92.1 | Very high | 93 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -96 | 166 | 176.2 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | D155 M156 | T153-D155 VanDerWaalsContact C-N 3.29Å; T153-D155 WeakPolarHBondContact CB-OD2 3.48Å; T153-D155 PolarHBondContact OG1-N 3.18Å; T153-D155 PolarHBondContact OG1-OD2 2.81Å; T153-M156 PolarHBondContact O-N 2.95Å |
| 154 | M | 92.3 | Very high | 93 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.1 | -25.1 | 175.6 | -156.3 | 63.1 | 79.4 | 0 | 0 | 112.1 | L138 M156 V157 I158 M163 H168 Y171 | L138-M154 HydrophobicContact CD2-CE 3.61Å; L138-M154 HydrophobicContact CD2-SD 3.85Å; M154-M156 PolarHBondContact O-N 3.44Å; M154-V157 WeakPolarHBondContact O-CA 3.37Å; M154-V157 WeakPolarHBondContact O-CB 3.45Å; M154-V157 PolarHBondContact O-N 3.44Å; M154-V157 HydrophobicContact SD-CB 3.86Å; M154-V157 HydrophobicContact SD-CG1 4.19Å; M154-V157 HydrophobicContact SD-CG2 3.76Å; M154-I158 WeakPolarHBondContact O-CG1 3.22Å; M154-I158 PolarHBondContact O-N 3.42Å; M154-M163 HydrophobicContact CG-SD 4.32Å; M154-H168 WeakPolarHBondContact CB-NE2 3.23Å; M154-H168 WeakPolarHBondContact CG-CD2 3.24Å; M154-H168 VanDerWaalsContact CG-NE2 3.31Å; M154-H168 WeakPolarHBondContact CG-NE2 3.09Å; M154-Y171 HydrophobicContact CE-CE1 3.69Å |
| 155 | D | 92.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.5 | -35.1 | 172.9 | -34.7 | -81.1 | 0 | 0 | 0 | 111.7 | T153 I158 Q159 | T153-D155 VanDerWaalsContact C-N 3.29Å; T153-D155 WeakPolarHBondContact CB-OD2 3.48Å; T153-D155 PolarHBondContact OG1-N 3.18Å; T153-D155 PolarHBondContact OG1-OD2 2.81Å; D155-I158 PolarHBondContact O-N 2.85Å; D155-Q159 WeakPolarHBondContact O-CB 3.35Å; D155-Q159 VanDerWaalsContact O-CG 3.23Å; D155-Q159 WeakPolarHBondContact O-CG 3.37Å; D155-Q159 PolarHBondContact O-N 2.84Å |
| 156 | M | 93.8 | Very high | 92.9 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.1 | -30.7 | 176.5 | -63.9 | -66.4 | 126.6 | 0 | 0 | 112.4 | T153 M154 S160 | T153-M156 PolarHBondContact O-N 2.95Å; M154-M156 PolarHBondContact O-N 3.44Å; M156-S160 WeakPolarHBondContact O-CB 3.35Å; M156-S160 PolarHBondContact O-N 3.23Å; M156-S160 PolarHBondContact O-OG 2.87Å |
| 157 | V | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.2 | -35.8 | 172.5 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | L134 F151 M154 G161 F162 M163 | L134-V157 HydrophobicContact CD1-CG1 3.72Å; F151-V157 HydrophobicContact CB-CG2 3.84Å; F151-V157 HydrophobicContact CG-CG2 4.26Å; M154-V157 WeakPolarHBondContact O-CA 3.37Å; M154-V157 WeakPolarHBondContact O-CB 3.45Å; M154-V157 PolarHBondContact O-N 3.44Å; M154-V157 HydrophobicContact SD-CB 3.86Å; M154-V157 HydrophobicContact SD-CG1 4.19Å; M154-V157 HydrophobicContact SD-CG2 3.76Å; V157-G161 PolarHBondContact O-N 3.44Å; V157-F162 HydrophobicContact CG1-CB 3.81Å; V157-F162 PolarHBondContact O-N 3.03Å; V157-M163 HydrophobicContact CG1-CB 4.33Å |
| 158 | I | 93.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 18% | 0.179 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -52.3 | 174.8 | -62.3 | 164.8 | 0 | 0 | 0 | 111.1 | M154 D155 S160 G161 M163 E165 H168 | M154-I158 WeakPolarHBondContact O-CG1 3.22Å; M154-I158 PolarHBondContact O-N 3.42Å; D155-I158 PolarHBondContact O-N 2.85Å; I158-S160 PolarHBondContact O-N 3.25Å; I158-G161 PolarHBondContact O-N 3.3Å; I158-M163 VanDerWaalsContact CA-O 3.31Å; I158-M163 WeakPolarHBondContact CA-O 3.24Å; I158-M163 HydrophobicContact CG1-CB 4.32Å; I158-M163 HydrophobicContact CG1-CG 4.48Å; I158-E165 HydrophobicContact CG2-CG 4.15Å; I158-H168 HydrophobicContact CD1-CB 3.78Å; I158-H168 HydrophobicContact CG1-CB 4.48Å |
| 159 | Q | 90.8 | Very high | 93.1 | Very high | 143 Ų | 143 | 62.6 Ų | 62.6 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.2 | -28.2 | 179.2 | -71.5 | 171.4 | 27.7 | 0 | 0 | 112.5 | D155 G161 | D155-Q159 WeakPolarHBondContact O-CB 3.35Å; D155-Q159 VanDerWaalsContact O-CG 3.23Å; D155-Q159 WeakPolarHBondContact O-CG 3.37Å; D155-Q159 PolarHBondContact O-N 2.84Å; Q159-G161 VanDerWaalsContact C-N 3.29Å |
| 160 | S | 91.7 | Very high | 93.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0.4 | 173.8 | -56.3 | 0 | 0 | 0 | 0 | 114.2 | F151 M156 I158 | F151-S160 WeakPolarHBondContact CE1-OG 3.34Å; M156-S160 WeakPolarHBondContact O-CB 3.35Å; M156-S160 PolarHBondContact O-N 3.23Å; M156-S160 PolarHBondContact O-OG 2.87Å; I158-S160 PolarHBondContact O-N 3.25Å |
| 161 | G | 91.2 | Very high | 93.2 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 16.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | R130 V157 I158 Q159 | R130-G161 WeakPolarHBondContact CD-O 3.29Å; V157-G161 PolarHBondContact O-N 3.44Å; I158-G161 PolarHBondContact O-N 3.3Å; Q159-G161 VanDerWaalsContact C-N 3.29Å |
| 162 | F | 93.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -81.6 | -36.8 | 173.2 | -69 | -91.4 | 0 | 0 | 0 | 111.9 | R130 N133 L134 T137 F151 V157 V311 L315 | R130-F162 WeakPolarHBondContact CD-O 3.49Å; R130-F162 VanDerWaalsContact CG-O 3.23Å; R130-F162 WeakPolarHBondContact CG-O 3.41Å; R130-F162 PolarHBondContact NH1-O 3.21Å; N133-F162 HydrophobicContact CB-CD1 4.36Å; N133-F162 HydrophobicContact CB-CE1 4.28Å; L134-F162 HydrophobicContact CD1-CB 3.9Å; T137-F162 WeakPolarHBondContact OG1-CE1 3.34Å; F151-F162 HydrophobicContact CE1-CE2 4.18Å; F151-F162 HydrophobicContact CZ-CD2 4.48Å; F151-F162 AromaticContact CZ-CE2 3.78Å; F151-F162 HydrophobicContact CZ-CE2 3.78Å; F151-F162 HydrophobicContact CZ-CZ 4.38Å; V157-F162 HydrophobicContact CG1-CB 3.81Å; V157-F162 PolarHBondContact O-N 3.03Å; F162-V311 HydrophobicContact CE1-CG1 4.03Å; F162-V311 HydrophobicContact CZ-CG1 3.57Å; F162-L315 HydrophobicContact CD1-CD1 4.34Å; F162-L315 HydrophobicContact CE1-CB 4.46Å; F162-L315 HydrophobicContact CE1-CD1 4.09Å; F162-L315 HydrophobicContact CE1-CD2 3.96Å; F162-L315 HydrophobicContact CE1-CG 4.4Å; F162-L315 HydrophobicContact CE2-CD2 4.39Å; F162-L315 HydrophobicContact CZ-CD2 3.84Å |
| 163 | M | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -128.3 | 145.3 | -179 | -176.5 | -176.7 | -84.6 | 0 | 0 | 110 | L134 M154 V157 I158 E167 H168 Y171 | L134-M163 HydrophobicContact CD1-CB 4.05Å; L134-M163 HydrophobicContact CD1-CE 4.26Å; L134-M163 HydrophobicContact CD2-CB 4.07Å; L134-M163 HydrophobicContact CD2-CE 3.95Å; L134-M163 HydrophobicContact CD2-CG 4.38Å; M154-M163 HydrophobicContact CG-SD 4.32Å; V157-M163 HydrophobicContact CG1-CB 4.33Å; I158-M163 VanDerWaalsContact CA-O 3.31Å; I158-M163 WeakPolarHBondContact CA-O 3.24Å; I158-M163 HydrophobicContact CG1-CB 4.32Å; I158-M163 HydrophobicContact CG1-CG 4.48Å; M163-E167 HydrophobicContact CG-CB 3.86Å; M163-H168 HydrophobicContact CG-CB 4.45Å; M163-H168 VanDerWaalsContact SD-CA 3.57Å; M163-H168 HydrophobicContact SD-CB 3.77Å; M163-Y171 HydrophobicContact CE-CD1 4.4Å; M163-Y171 HydrophobicContact CE-CD2 3.91Å; M163-Y171 HydrophobicContact CE-CE2 4.36Å; M163-Y171 HydrophobicContact CE-CG 3.92Å |
| 164 | N | 93.2 | Very high | 93.1 | Very high | 79 Ų | 79 | 63.1 Ų | 63.1 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | trans | -94.3 | 157.8 | 172.8 | -62.2 | -38.3 | 0 | 0 | 0 | 111.4 | R130 E166 E167 H168 | R130-N164 PolarHBondContact NH2-ND2 3.4Å; N164-E166 PolarHBondContact O-N 3.06Å; N164-E167 HydrophobicContact CB-CG 4.2Å; N164-E167 PolarHBondContact N-OE2 3.1Å; N164-E167 PolarHBondContact ND2-OE1 2.74Å; N164-E167 WeakPolarHBondContact O-CB 3.41Å; N164-E167 PolarHBondContact O-N 3.36Å; N164-H168 PolarHBondContact O-N 2.8Å | ||
| 165 | E | 93.5 | Very high | 92.8 | Very high | 153 Ų | 153 | 71.1 Ų | 71.1 | 72% | 0.715 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55.4 | -35 | 178 | -64.4 | 179.5 | -179.5 | 0 | 0 | 113.7 | I158 H168 R169 | I158-E165 HydrophobicContact CG2-CG 4.15Å; E165-H168 WeakPolarHBondContact O-CB 3.48Å; E165-H168 PolarHBondContact O-N 3.19Å; E165-R169 PolarHBondContact O-N 2.92Å; E165-R169 VanDerWaalsContact O-N 3.15Å |
| 166 | E | 93.7 | Very high | 92.4 | Very high | 93 Ų | 93 | 69.4 Ų | 69.4 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 177.3 | -170.1 | 59.7 | -144.7 | 0 | 0 | 112.3 | N164 H168 R169 Q170 | N164-E166 PolarHBondContact O-N 3.06Å; E166-H168 VanDerWaalsContact C-N 3.35Å; E166-R169 PolarHBondContact O-N 3.14Å; E166-R169 IonicContact OE1-CZ 2.64Å; E166-R169 IonicContact OE1-NH1 3.04Å; E166-R169 PolarHBondContact OE1-NH1 2.9Å; E166-R169 IonicContact OE2-CZ 3.68Å; E166-R169 IonicContact OE2-NH1 2.64Å; E166-R169 PolarHBondContact OE2-NH1 3.26Å; E166-R169 IonicContact OE2-NH2 3.91Å; E166-R169 PolarHBondContact OE2-NH2 2.8Å; E166-Q170 PolarHBondContact O-N 3.25Å |
| 167 | E | 95.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 74.4 Ų | 74.4 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 175.9 | -65.2 | 160.8 | -169.5 | 0 | 0 | 110.4 | R130 M163 N164 R169 Q170 Y171 W187 | R130-E167 IonicContact CZ-OE1 2.78Å; R130-E167 IonicContact CZ-OE2 2.72Å; R130-E167 IonicContact NH1-OE1 2.64Å; R130-E167 PolarHBondContact NH1-OE1 3.2Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 2.67Å; R130-E167 IonicContact NH2-OE1 3.36Å; R130-E167 PolarHBondContact NH2-OE1 2.79Å; R130-E167 IonicContact NH2-OE2 2.74Å; M163-E167 HydrophobicContact CG-CB 3.86Å; N164-E167 HydrophobicContact CB-CG 4.2Å; N164-E167 PolarHBondContact N-OE2 3.1Å; N164-E167 PolarHBondContact ND2-OE1 2.74Å; N164-E167 WeakPolarHBondContact O-CB 3.41Å; N164-E167 PolarHBondContact O-N 3.36Å; E167-R169 VanDerWaalsContact C-N 3.33Å; E167-R169 PolarHBondContact O-N 3.29Å; E167-Q170 PolarHBondContact O-N 2.62Å; E167-Y171 VanDerWaalsContact O-CB 3.25Å; E167-Y171 WeakPolarHBondContact O-CB 3.35Å; E167-Y171 PolarHBondContact O-N 2.74Å; E167-W187 HydrophobicContact CB-CH2 3.88Å; E167-W187 HydrophobicContact CB-CZ3 3.94Å; E167-W187 HydrophobicContact CG-CZ3 4.38Å; E167-W187 WeakPolarHBondContact O-CH2 3.49Å |
| 168 | H | 94.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 81.3 Ų | 81.3 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 172.2 | -171 | -90.1 | 0 | 0 | 0 | 112.1 | M154 I158 M163 N164 E165 E166 Y171 D172 | M154-H168 WeakPolarHBondContact CB-NE2 3.23Å; M154-H168 WeakPolarHBondContact CG-CD2 3.24Å; M154-H168 VanDerWaalsContact CG-NE2 3.31Å; M154-H168 WeakPolarHBondContact CG-NE2 3.09Å; I158-H168 HydrophobicContact CD1-CB 3.78Å; I158-H168 HydrophobicContact CG1-CB 4.48Å; M163-H168 HydrophobicContact CG-CB 4.45Å; M163-H168 VanDerWaalsContact SD-CA 3.57Å; M163-H168 HydrophobicContact SD-CB 3.77Å; N164-H168 PolarHBondContact O-N 2.8Å; E165-H168 WeakPolarHBondContact O-CB 3.48Å; E165-H168 PolarHBondContact O-N 3.19Å; E166-H168 VanDerWaalsContact C-N 3.35Å; H168-Y171 WeakPolarHBondContact O-CB 3.31Å; H168-Y171 PolarHBondContact O-N 2.92Å; H168-D172 IonicContact CE1-OD2 3.11Å; H168-D172 PolarHBondContact CE1-OD2 2.99Å; H168-D172 IonicContact ND1-OD2 2.69Å; H168-D172 IonicContact NE2-OD2 2.71Å; H168-D172 PolarHBondContact O-N 2.75Å |
| 169 | R | 94.5 | Very high | 91.2 | Very high | 122 Ų | 122 | 82.1 Ų | 82.1 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 176.5 | -158.7 | -171.6 | -52 | 118.6 | 18.2 | 111.3 | E165 E166 E167 Y171 D172 E173 | E165-R169 PolarHBondContact O-N 2.92Å; E165-R169 VanDerWaalsContact O-N 3.15Å; E166-R169 PolarHBondContact O-N 3.14Å; E166-R169 IonicContact OE1-CZ 2.64Å; E166-R169 IonicContact OE1-NH1 3.04Å; E166-R169 PolarHBondContact OE1-NH1 2.9Å; E166-R169 IonicContact OE2-CZ 3.68Å; E166-R169 IonicContact OE2-NH1 2.64Å; E166-R169 PolarHBondContact OE2-NH1 3.26Å; E166-R169 IonicContact OE2-NH2 3.91Å; E166-R169 PolarHBondContact OE2-NH2 2.8Å; E167-R169 VanDerWaalsContact C-N 3.33Å; E167-R169 PolarHBondContact O-N 3.29Å; R169-Y171 VanDerWaalsContact C-N 3.3Å; R169-Y171 PolarHBondContact O-N 2.99Å; R169-D172 PolarHBondContact O-N 3Å; R169-D172 VanDerWaalsContact O-N 3.16Å; R169-E173 WeakPolarHBondContact CG-OE1 3.46Å; R169-E173 WeakPolarHBondContact O-CG 3.44Å; R169-E173 PolarHBondContact O-N 2.85Å |
| 170 | Q | 93 | Very high | 91.3 | Very high | 85 Ų | 85 | 76.8 Ų | 76.8 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.5 | -33.6 | 177.6 | -66.9 | 175.3 | 31.2 | 0 | 0 | 112.5 | E166 E167 D172 W187 | E166-Q170 PolarHBondContact O-N 3.25Å; E167-Q170 PolarHBondContact O-N 2.62Å; Q170-D172 VanDerWaalsContact C-N 3.35Å; Q170-W187 HydrophobicContact CB-CZ2 4.18Å |
| 171 | Y | 94.2 | Very high | 91.4 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 174.1 | -179.7 | -96.3 | 0 | 0 | 0 | 111.9 | L138 M154 M163 E167 H168 R169 K180 I183 | L138-Y171 HydrophobicContact CD1-CE2 3.92Å; M154-Y171 HydrophobicContact CE-CE1 3.69Å; M163-Y171 HydrophobicContact CE-CD1 4.4Å; M163-Y171 HydrophobicContact CE-CD2 3.91Å; M163-Y171 HydrophobicContact CE-CE2 4.36Å; M163-Y171 HydrophobicContact CE-CG 3.92Å; E167-Y171 VanDerWaalsContact O-CB 3.25Å; E167-Y171 WeakPolarHBondContact O-CB 3.35Å; E167-Y171 PolarHBondContact O-N 2.74Å; H168-Y171 WeakPolarHBondContact O-CB 3.31Å; H168-Y171 PolarHBondContact O-N 2.92Å; R169-Y171 VanDerWaalsContact C-N 3.3Å; R169-Y171 PolarHBondContact O-N 2.99Å; Y171-K180 HydrophobicContact CD2-CB 4.42Å; Y171-K180 HydrophobicContact CE1-CB 4.46Å; Y171-K180 HydrophobicContact CE1-CD 4.5Å; Y171-K180 VanDerWaalsContact CE1-CE 3.43Å; Y171-K180 HydrophobicContact CE2-CB 3.58Å; Y171-K180 PolarHBondContact O-NZ 3.03Å; Y171-I183 HydrophobicContact CD2-CB 4.23Å; Y171-I183 HydrophobicContact CD2-CD1 4.05Å; Y171-I183 HydrophobicContact CD2-CG2 4.18Å; Y171-I183 HydrophobicContact CE2-CD1 4.39Å |
| 172 | D | 91.5 | Very high | 91.6 | Very high | 89 Ų | 89 | 77.1 Ų | 77.1 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -85.8 | -22.8 | 179.4 | -81.9 | -11.7 | 0 | 0 | 0 | 114.9 | H168 R169 Q170 V174 K180 | H168-D172 IonicContact CE1-OD2 3.11Å; H168-D172 PolarHBondContact CE1-OD2 2.99Å; H168-D172 IonicContact ND1-OD2 2.69Å; H168-D172 IonicContact NE2-OD2 2.71Å; H168-D172 PolarHBondContact O-N 2.75Å; R169-D172 PolarHBondContact O-N 3Å; R169-D172 VanDerWaalsContact O-N 3.16Å; Q170-D172 VanDerWaalsContact C-N 3.35Å; D172-V174 PolarHBondContact O-N 2.85Å; D172-K180 IonicContact OD1-NZ 3.82Å; D172-K180 PolarHBondContact OD1-NZ 3.1Å |
| 173 | E | 93.2 | Very high | 91.7 | Very high | 125 Ų | 125 | 76.9 Ų | 76.9 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.4 | -27.9 | 167.7 | -76.1 | 166 | -169.1 | 0 | 0 | 112.3 | R169 Q175 | R169-E173 WeakPolarHBondContact CG-OE1 3.46Å; R169-E173 WeakPolarHBondContact O-CG 3.44Å; R169-E173 PolarHBondContact O-N 2.85Å; E173-Q175 PolarHBondContact O-N 2.85Å; E173-Q175 VanDerWaalsContact O-N 3.09Å |
| 174 | V | 90.5 | Very high | 91.8 | Very high | 56 Ų | 56 | 76.9 Ų | 76.9 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -74.4 | 98.3 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | D172 C176 W182 I183 | D172-V174 PolarHBondContact O-N 2.85Å; V174-C176 HydrophobicContact CG1-CB 4.5Å; V174-C176 PolarHBondContact O-N 3.09Å; V174-C176 VanDerWaalsContact O-N 3.08Å; V174-W182 HydrophobicContact CG1-CH2 4.19Å; V174-I183 HydrophobicContact CB-CD1 3.79Å; V174-I183 HydrophobicContact CG1-CD1 3.79Å; V174-I183 HydrophobicContact CG2-CD1 4.02Å |
| 175 | Q | 86.8 | Confident | 91.9 | Very high | 193 Ų | 193 | 73.2 Ų | 73.2 | 90% | 0.902 | 35% | 0.348 | S | S | * | . | trans | -70.5 | 97.7 | 175.6 | -62.4 | -173.6 | 12.5 | 0 | 0 | 111.2 | E173 | E173-Q175 PolarHBondContact O-N 2.85Å; E173-Q175 VanDerWaalsContact O-N 3.09Å | ||
| 176 | C | 82.3 | Confident | 92 | Very high | 49 Ų | 49 | 70.9 Ų | 70.9 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | trans | -139.2 | 136.8 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | V174 H178 K180 | V174-C176 HydrophobicContact CG1-CB 4.5Å; V174-C176 PolarHBondContact O-N 3.09Å; V174-C176 VanDerWaalsContact O-N 3.08Å; C176-H178 VanDerWaalsContact C-N 3.29Å; C176-H178 PolarHBondContact SG-N 2.63Å; C176-H178 VanDerWaalsContact SG-N 3.39Å; C176-K180 HydrophobicContact CB-CD 4.43Å; C176-K180 HydrophobicContact CB-CG 4.25Å | ||
| 177 | L | 84.2 | Confident | 92.2 | Very high | 174 Ų | 174 | 68.3 Ų | 68.3 | 91% | 0.911 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -83.1 | -5.4 | 176.2 | -65.1 | 174.1 | 0 | 0 | 0 | 113.2 | ||
| 178 | H | 86.6 | Confident | 92.2 | Very high | 145 Ų | 145 | 67.4 Ų | 67.4 | 67% | 0.671 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -112 | 168 | -174.2 | -49.5 | -62.7 | 0 | 0 | 0 | 111.4 | C176 K180 | C176-H178 VanDerWaalsContact C-N 3.29Å; C176-H178 PolarHBondContact SG-N 2.63Å; C176-H178 VanDerWaalsContact SG-N 3.39Å; H178-K180 PolarHBondContact O-N 3.39Å; H178-K180 VanDerWaalsContact O-N 3.15Å |
| 179 | H | 86.2 | Confident | 92.3 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | trans | -61.9 | 115.9 | -175.3 | -171.4 | 17.1 | 0 | 0 | 0 | 112.2 | D142 F181 W182 | D142-H179 IonicContact OD2-CE1 2.74Å; D142-H179 PolarHBondContact OD2-CE1 3.45Å; D142-H179 IonicContact OD2-ND1 2.71Å; H179-F181 VanDerWaalsContact C-N 3.25Å; H179-F181 HydrophobicContact CB-CD1 4.4Å; H179-F181 AromaticContact CD2-CD1 3.86Å; H179-F181 AromaticContact CG-CD1 3.99Å; H179-F181 PolarHBondContact O-N 2.91Å; H179-F181 VanDerWaalsContact O-N 3.16Å; H179-W182 VanDerWaalsContact O-CD1 3.22Å; H179-W182 PolarHBondContact O-NE1 3.1Å | ||
| 180 | K | 92.8 | Very high | 92.4 | Very high | 30 Ų | 30 | 64.7 Ų | 64.7 | 13% | 0.13 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -79.4 | 18 | -173.2 | -66.2 | -169.8 | -66.4 | 178.9 | 0 | 115.2 | Y171 D172 C176 H178 W182 I183 | Y171-K180 HydrophobicContact CD2-CB 4.42Å; Y171-K180 HydrophobicContact CE1-CB 4.46Å; Y171-K180 HydrophobicContact CE1-CD 4.5Å; Y171-K180 VanDerWaalsContact CE1-CE 3.43Å; Y171-K180 HydrophobicContact CE2-CB 3.58Å; Y171-K180 PolarHBondContact O-NZ 3.03Å; D172-K180 IonicContact OD1-NZ 3.82Å; D172-K180 PolarHBondContact OD1-NZ 3.1Å; C176-K180 HydrophobicContact CB-CD 4.43Å; C176-K180 HydrophobicContact CB-CG 4.25Å; H178-K180 PolarHBondContact O-N 3.39Å; H178-K180 VanDerWaalsContact O-N 3.15Å; K180-W182 PolarHBondContact O-N 3.45Å; K180-W182 VanDerWaalsContact O-N 3.12Å; K180-I183 HydrophobicContact CB-CD1 3.81Å; K180-I183 HydrophobicContact CB-CG1 4.33Å; K180-I183 HydrophobicContact CD-CD1 3.9Å; K180-I183 HydrophobicContact CG-CD1 4.05Å; K180-I183 WeakPolarHBondContact O-CB 3.42Å; K180-I183 PolarHBondContact O-N 3.28Å; K180-I183 VanDerWaalsContact O-N 3.14Å |
| 181 | F | 93.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -63.1 | -20 | -175.5 | 81.9 | -82.4 | 0 | 0 | 0 | 115 | L138 V139 H179 I183 P184 L221 M222 L225 | L138-F181 HydrophobicContact CB-CB 4.26Å; V139-F181 HydrophobicContact CG2-CB 3.61Å; V139-F181 HydrophobicContact CG2-CD1 4.28Å; V139-F181 HydrophobicContact CG2-CD2 3.46Å; V139-F181 VanDerWaalsContact CG2-CD2 3.46Å; V139-F181 HydrophobicContact CG2-CE2 4.18Å; V139-F181 HydrophobicContact CG2-CG 3.52Å; H179-F181 VanDerWaalsContact C-N 3.25Å; H179-F181 HydrophobicContact CB-CD1 4.4Å; H179-F181 AromaticContact CD2-CD1 3.86Å; H179-F181 AromaticContact CG-CD1 3.99Å; H179-F181 PolarHBondContact O-N 2.91Å; H179-F181 VanDerWaalsContact O-N 3.16Å; F181-I183 VanDerWaalsContact C-N 3.33Å; F181-P184 WeakPolarHBondContact O-CD 3.42Å; F181-L221 HydrophobicContact CD2-CB 4.47Å; F181-L221 HydrophobicContact CE2-CB 4.09Å; F181-M222 HydrophobicContact CE1-CE 4.12Å; F181-M222 HydrophobicContact CE1-SD 4.28Å; F181-M222 HydrophobicContact CZ-CB 4.36Å; F181-M222 HydrophobicContact CZ-CE 3.93Å; F181-M222 HydrophobicContact CZ-SD 4.08Å; F181-L225 HydrophobicContact CD1-CD1 3.62Å; F181-L225 HydrophobicContact CE1-CD1 3.32Å; F181-L225 HydrophobicContact CE2-CD1 4.48Å; F181-L225 HydrophobicContact CG-CD1 4.32Å; F181-L225 HydrophobicContact CZ-CD1 3.8Å |
| 182 | W | 94.3 | Very high | 92.5 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -77.5 | -15.1 | 178.7 | 53.7 | -92.7 | 0 | 0 | 0 | 113.3 | V174 H179 K180 I185 Q186 | V174-W182 HydrophobicContact CG1-CH2 4.19Å; H179-W182 VanDerWaalsContact O-CD1 3.22Å; H179-W182 PolarHBondContact O-NE1 3.1Å; K180-W182 PolarHBondContact O-N 3.45Å; K180-W182 VanDerWaalsContact O-N 3.12Å; W182-I185 WeakPolarHBondContact O-CB 3.26Å; W182-I185 PolarHBondContact O-N 2.99Å; W182-I185 VanDerWaalsContact O-N 3.12Å; W182-Q186 PolarHBondContact O-N 2.83Å |
| 183 | I | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -49.1 | -178 | -67.6 | -178.6 | 0 | 0 | 0 | 111.8 | Y171 V174 K180 F181 I185 Q186 W187 | Y171-I183 HydrophobicContact CD2-CB 4.23Å; Y171-I183 HydrophobicContact CD2-CD1 4.05Å; Y171-I183 HydrophobicContact CD2-CG2 4.18Å; Y171-I183 HydrophobicContact CE2-CD1 4.39Å; V174-I183 HydrophobicContact CB-CD1 3.79Å; V174-I183 HydrophobicContact CG1-CD1 3.79Å; V174-I183 HydrophobicContact CG2-CD1 4.02Å; K180-I183 HydrophobicContact CB-CD1 3.81Å; K180-I183 HydrophobicContact CB-CG1 4.33Å; K180-I183 HydrophobicContact CD-CD1 3.9Å; K180-I183 HydrophobicContact CG-CD1 4.05Å; K180-I183 WeakPolarHBondContact O-CB 3.42Å; K180-I183 PolarHBondContact O-N 3.28Å; K180-I183 VanDerWaalsContact O-N 3.14Å; F181-I183 VanDerWaalsContact C-N 3.33Å; I183-I185 PolarHBondContact O-N 2.79Å; I183-Q186 WeakPolarHBondContact O-CB 3.39Å; I183-Q186 PolarHBondContact O-N 3.33Å; I183-Q186 VanDerWaalsContact O-N 3.16Å; I183-W187 HydrophobicContact CG2-CD2 3.92Å; I183-W187 HydrophobicContact CG2-CE3 4.45Å; I183-W187 HydrophobicContact CG2-CG 4.5Å; I183-W187 HydrophobicContact CG2-CH2 3.96Å; I183-W187 HydrophobicContact CG2-CZ2 3.35Å; I183-W187 HydrophobicContact CG2-CZ3 4.46Å; I183-W187 PolarHBondContact O-N 2.75Å |
| 184 | P | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -28.4 | 173 | -23.5 | 33.2 | 0 | 0 | 0 | 114.3 | Y131 L134 A135 L138 F181 W187 C188 | Y131-P184 WeakPolarHBondContact O-CB 3.31Å; L134-P184 HydrophobicContact CB-CB 4.47Å; L134-P184 HydrophobicContact CB-CG 4.46Å; L134-P184 HydrophobicContact CD2-CB 4.13Å; L134-P184 HydrophobicContact CD2-CG 3.71Å; L134-P184 HydrophobicContact CG-CB 4.3Å; L134-P184 HydrophobicContact CG-CG 3.8Å; A135-P184 HydrophobicContact CB-CB 4.26Å; L138-P184 HydrophobicContact CD1-CG 4.01Å; F181-P184 WeakPolarHBondContact O-CD 3.42Å; P184-W187 HydrophobicContact CB-CE3 4.3Å; P184-W187 HydrophobicContact CG-CE3 4.4Å; P184-W187 HydrophobicContact CG-CZ3 4.42Å; P184-C188 VanDerWaalsContact O-CB 3.29Å; P184-C188 WeakPolarHBondContact O-CB 3.23Å; P184-C188 PolarHBondContact O-N 2.81Å |
| 185 | I | 96.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -46 | 174 | -57.9 | -61.1 | 0 | 0 | 0 | 110.3 | L132 A135 W182 I183 W187 C188 C189 I214 M215 Y217 R218 | L132-I185 HydrophobicContact CD2-CD1 4.19Å; A135-I185 HydrophobicContact CB-CD1 3.59Å; A135-I185 HydrophobicContact CB-CG1 3.83Å; W182-I185 WeakPolarHBondContact O-CB 3.26Å; W182-I185 PolarHBondContact O-N 2.99Å; W182-I185 VanDerWaalsContact O-N 3.12Å; I183-I185 PolarHBondContact O-N 2.79Å; I185-W187 PolarHBondContact O-N 2.73Å; I185-C188 WeakPolarHBondContact O-CB 3.45Å; I185-C188 PolarHBondContact O-N 3.39Å; I185-C188 VanDerWaalsContact O-N 3.17Å; I185-C189 PolarHBondContact O-N 3.42Å; I185-C189 PolarHBondContact O-SG 2.89Å; I185-I214 HydrophobicContact CG2-CG2 3.8Å; I185-M215 HydrophobicContact CG2-CE 3.77Å; I185-Y217 HydrophobicContact CD1-CD1 4.34Å; I185-R218 HydrophobicContact CG1-CB 4.46Å; I185-R218 HydrophobicContact CG1-CG 4.39Å; I185-R218 HydrophobicContact CG2-CB 4.15Å; I185-R218 HydrophobicContact CG2-CG 4.22Å |
| 186 | Q | 95.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 173.1 | -176.6 | -167.2 | -1.9 | 0 | 0 | 111.5 | W182 I183 C188 C189 T190 | W182-Q186 PolarHBondContact O-N 2.83Å; I183-Q186 WeakPolarHBondContact O-CB 3.39Å; I183-Q186 PolarHBondContact O-N 3.33Å; I183-Q186 VanDerWaalsContact O-N 3.16Å; Q186-C188 VanDerWaalsContact C-N 3.29Å; Q186-C188 PolarHBondContact O-N 3.36Å; Q186-C189 PolarHBondContact O-N 3.26Å; Q186-T190 WeakPolarHBondContact O-CB 3.11Å; Q186-T190 PolarHBondContact O-N 2.86Å; Q186-T190 PolarHBondContact O-OG1 2.78Å |
| 187 | W | 97.3 | Very high | 93.6 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 175.7 | -64.1 | -19.5 | 0 | 0 | 0 | 112.1 | Y131 L134 E167 Q170 I183 P184 I185 T190 L191 | Y131-W187 HydrophobicContact CD1-CE3 4.26Å; Y131-W187 HydrophobicContact CD2-CB 3.78Å; Y131-W187 AromaticContact CE1-CE3 3.84Å; Y131-W187 HydrophobicContact CE1-CE3 3.84Å; Y131-W187 HydrophobicContact CE1-CZ3 4.36Å; Y131-W187 HydrophobicContact CE2-CB 3.49Å; Y131-W187 VanDerWaalsContact CE2-CB 3.49Å; Y131-W187 HydrophobicContact CE2-CE3 4.36Å; Y131-W187 HydrophobicContact CE2-CG 4.44Å; Y131-W187 AromaticContact CZ-CE3 3.89Å; L134-W187 HydrophobicContact CD2-CZ3 4.44Å; E167-W187 HydrophobicContact CB-CH2 3.88Å; E167-W187 HydrophobicContact CB-CZ3 3.94Å; E167-W187 HydrophobicContact CG-CZ3 4.38Å; E167-W187 WeakPolarHBondContact O-CH2 3.49Å; Q170-W187 HydrophobicContact CB-CZ2 4.18Å; I183-W187 HydrophobicContact CG2-CD2 3.92Å; I183-W187 HydrophobicContact CG2-CE3 4.45Å; I183-W187 HydrophobicContact CG2-CG 4.5Å; I183-W187 HydrophobicContact CG2-CH2 3.96Å; I183-W187 HydrophobicContact CG2-CZ2 3.35Å; I183-W187 HydrophobicContact CG2-CZ3 4.46Å; I183-W187 PolarHBondContact O-N 2.75Å; P184-W187 HydrophobicContact CB-CE3 4.3Å; P184-W187 HydrophobicContact CG-CE3 4.4Å; P184-W187 HydrophobicContact CG-CZ3 4.42Å; I185-W187 PolarHBondContact O-N 2.73Å; W187-T190 PolarHBondContact O-N 3.41Å; W187-L191 WeakPolarHBondContact O-CB 3.39Å; W187-L191 PolarHBondContact O-N 3.12Å |
| 188 | C | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -52.1 | 176.6 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | Y131 P184 I185 Q186 T190 L191 L192 | Y131-C188 HydrophobicContact CD2-CB 4.33Å; P184-C188 VanDerWaalsContact O-CB 3.29Å; P184-C188 WeakPolarHBondContact O-CB 3.23Å; P184-C188 PolarHBondContact O-N 2.81Å; I185-C188 WeakPolarHBondContact O-CB 3.45Å; I185-C188 PolarHBondContact O-N 3.39Å; I185-C188 VanDerWaalsContact O-N 3.17Å; Q186-C188 VanDerWaalsContact C-N 3.29Å; Q186-C188 PolarHBondContact O-N 3.36Å; C188-T190 VanDerWaalsContact C-N 3.31Å; C188-T190 PolarHBondContact O-N 3.16Å; C188-L191 PolarHBondContact O-N 3.09Å; C188-L192 WeakPolarHBondContact O-CG 3.25Å; C188-L192 PolarHBondContact O-N 2.85Å |
| 189 | C | 96 | Very high | 94.1 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 176 | -62 | 0 | 0 | 0 | 0 | 111.9 | I185 Q186 L192 H193 | I185-C189 PolarHBondContact O-N 3.42Å; I185-C189 PolarHBondContact O-SG 2.89Å; Q186-C189 PolarHBondContact O-N 3.26Å; C189-L192 PolarHBondContact O-N 3.16Å; C189-H193 WeakPolarHBondContact O-CB 3.41Å; C189-H193 PolarHBondContact O-N 3.01Å |
| 190 | T | 96.3 | Very high | 94.3 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | Q186 W187 C188 K194 | Q186-T190 WeakPolarHBondContact O-CB 3.11Å; Q186-T190 PolarHBondContact O-N 2.86Å; Q186-T190 PolarHBondContact O-OG1 2.78Å; W187-T190 PolarHBondContact O-N 3.41Å; C188-T190 VanDerWaalsContact C-N 3.31Å; C188-T190 PolarHBondContact O-N 3.16Å; T190-K194 WeakPolarHBondContact O-CB 3.47Å; T190-K194 PolarHBondContact O-N 2.95Å |
| 191 | L | 95.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | 177.9 | -177.7 | 60.2 | 0 | 0 | 0 | 112 | I124 T127 V128 Y131 W187 C188 K194 A195 | I124-L191 HydrophobicContact CG1-CD1 4.23Å; I124-L191 HydrophobicContact CG2-CG 4.32Å; T127-L191 HydrophobicContact CG2-CD2 3.57Å; V128-L191 HydrophobicContact CG2-CD2 4.01Å; V128-L191 HydrophobicContact CG2-CG 4.5Å; Y131-L191 HydrophobicContact CE2-CD2 4.26Å; W187-L191 WeakPolarHBondContact O-CB 3.39Å; W187-L191 PolarHBondContact O-N 3.12Å; C188-L191 PolarHBondContact O-N 3.09Å; L191-K194 PolarHBondContact O-N 3.03Å; L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.02Å |
| 192 | L | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 174.5 | -70.1 | 172.5 | 0 | 0 | 0 | 111.9 | V114 V128 C188 C189 K194 A195 R196 I201 L207 L210 I214 | V114-L192 HydrophobicContact CG2-CD2 4.2Å; V128-L192 HydrophobicContact CG2-CD2 3.93Å; V128-L192 HydrophobicContact CG2-CG 4.08Å; C188-L192 WeakPolarHBondContact O-CG 3.25Å; C188-L192 PolarHBondContact O-N 2.85Å; C189-L192 PolarHBondContact O-N 3.16Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 3.44Å; L192-A195 WeakPolarHBondContact O-CB 3.29Å; L192-A195 PolarHBondContact O-N 3.47Å; L192-A195 VanDerWaalsContact O-N 3.13Å; L192-R196 PolarHBondContact O-N 2.62Å; L192-I201 HydrophobicContact CB-CD1 4.46Å; L192-I201 HydrophobicContact CD2-CD1 4.06Å; L192-L207 HydrophobicContact CB-CD1 3.7Å; L192-L210 HydrophobicContact CD1-CB 4.18Å; L192-L210 HydrophobicContact CD1-CD1 4.32Å; L192-L210 HydrophobicContact CD2-CD1 4.18Å; L192-I214 HydrophobicContact CD1-CD1 3.43Å; L192-I214 VanDerWaalsContact CD1-CD1 3.43Å |
| 193 | H | 94.5 | Very high | 93.5 | Very high | 86 Ų | 86 | 48.7 Ų | 48.7 | 40% | 0.398 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -35.8 | 172.4 | -175.3 | 65.2 | 0 | 0 | 0 | 112 | C189 K197 | C189-H193 WeakPolarHBondContact O-CB 3.41Å; C189-H193 PolarHBondContact O-N 3.01Å; H193-K197 VanDerWaalsContact NE2-CE 3.28Å; H193-K197 WeakPolarHBondContact NE2-CE 3.45Å; H193-K197 PolarHBondContact NE2-NZ 3.37Å; H193-K197 PolarHBondContact O-N 3.3Å |
| 194 | K | 93.9 | Very high | 93.3 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.1 | -45 | 170.2 | -177.3 | 174.4 | 177 | 176.8 | 0 | 111.9 | T190 L191 L192 R196 K197 E198 | T190-K194 WeakPolarHBondContact O-CB 3.47Å; T190-K194 PolarHBondContact O-N 2.95Å; L191-K194 PolarHBondContact O-N 3.03Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 3.44Å; K194-R196 VanDerWaalsContact C-N 3.29Å; K194-R196 PolarHBondContact O-N 3.41Å; K194-K197 CarbonylContact O-C 3.57Å; K194-K197 PolarHBondContact O-N 2.96Å; K194-K197 VanDerWaalsContact O-N 3.14Å; K194-E198 WeakPolarHBondContact CE-OE1 3.29Å; K194-E198 HydrophobicContact CG-CG 4.36Å; K194-E198 WeakPolarHBondContact O-CB 3.42Å; K194-E198 VanDerWaalsContact O-CG 3.31Å; K194-E198 WeakPolarHBondContact O-CG 3.08Å; K194-E198 PolarHBondContact O-N 2.93Å |
| 195 | A | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I124 L191 L192 E198 S199 L200 I201 | I124-A195 HydrophobicContact CD1-CB 4.37Å; I124-A195 HydrophobicContact CG2-CB 4.24Å; L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.02Å; L192-A195 WeakPolarHBondContact O-CB 3.29Å; L192-A195 PolarHBondContact O-N 3.47Å; L192-A195 VanDerWaalsContact O-N 3.13Å; A195-E198 CarbonylContact O-C 3.32Å; A195-E198 PolarHBondContact O-N 3.36Å; A195-S199 PolarHBondContact O-N 3.09Å; A195-L200 HydrophobicContact CB-CB 4.23Å; A195-L200 WeakPolarHBondContact O-CB 3.24Å; A195-L200 PolarHBondContact O-N 3.06Å; A195-I201 HydrophobicContact CB-CD1 4.06Å; A195-I201 HydrophobicContact CB-CG1 4.22Å |
| 196 | R | 93.3 | Very high | 92.7 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 171.6 | 174.4 | 60.8 | -172.8 | 126.4 | 5.8 | 112.7 | L192 K194 E198 S199 I201 E202 D204 L207 | L192-R196 PolarHBondContact O-N 2.62Å; K194-R196 VanDerWaalsContact C-N 3.29Å; K194-R196 PolarHBondContact O-N 3.41Å; R196-E198 PolarHBondContact O-N 2.88Å; R196-S199 PolarHBondContact O-N 3.31Å; R196-I201 HydrophobicContact CB-CB 4.3Å; R196-I201 HydrophobicContact CB-CD1 4.47Å; R196-I201 WeakPolarHBondContact CD-O 3.47Å; R196-I201 PolarHBondContact NH1-O 3.05Å; R196-E202 PolarHBondContact NH1-O 3.38Å; R196-E202 VanDerWaalsContact NH1-O 3.1Å; R196-D204 IonicContact CZ-OD1 2.62Å; R196-D204 IonicContact CZ-OD2 2.83Å; R196-D204 VanDerWaalsContact NE-CG 3.28Å; R196-D204 IonicContact NE-OD1 3.68Å; R196-D204 PolarHBondContact NE-OD1 2.56Å; R196-D204 IonicContact NE-OD2 2.74Å; R196-D204 PolarHBondContact NE-OD2 2.73Å; R196-D204 IonicContact NH2-OD1 3.48Å; R196-D204 IonicContact NH2-OD2 2.69Å; R196-D204 PolarHBondContact NH2-OD2 2.64Å; R196-L207 HydrophobicContact CB-CD2 3.87Å; R196-L207 HydrophobicContact CG-CD2 3.87Å |
| 197 | K | 91.5 | Very high | 92.6 | Very high | 154 Ų | 154 | 54.8 Ų | 54.8 | 67% | 0.67 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.5 | -22.2 | 173.7 | -81.3 | 176.1 | 166.1 | 164.7 | 0 | 114.1 | H193 K194 S199 | H193-K197 VanDerWaalsContact NE2-CE 3.28Å; H193-K197 WeakPolarHBondContact NE2-CE 3.45Å; H193-K197 PolarHBondContact NE2-NZ 3.37Å; H193-K197 PolarHBondContact O-N 3.3Å; K194-K197 CarbonylContact O-C 3.57Å; K194-K197 PolarHBondContact O-N 2.96Å; K194-K197 VanDerWaalsContact O-N 3.14Å; K197-S199 VanDerWaalsContact C-N 3.35Å |
| 198 | E | 91.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 10.1 | 173.8 | -65.1 | 178.2 | 151.4 | 0 | 0 | 112.5 | K120 K194 A195 R196 L200 | K120-E198 WeakPolarHBondContact CE-OE2 3.43Å; K120-E198 IonicContact NZ-OE1 3.85Å; K120-E198 PolarHBondContact NZ-OE1 2.95Å; K120-E198 IonicContact NZ-OE2 3.79Å; K120-E198 PolarHBondContact NZ-OE2 2.8Å; K194-E198 WeakPolarHBondContact CE-OE1 3.29Å; K194-E198 HydrophobicContact CG-CG 4.36Å; K194-E198 WeakPolarHBondContact O-CB 3.42Å; K194-E198 VanDerWaalsContact O-CG 3.31Å; K194-E198 WeakPolarHBondContact O-CG 3.08Å; K194-E198 PolarHBondContact O-N 2.93Å; A195-E198 CarbonylContact O-C 3.32Å; A195-E198 PolarHBondContact O-N 3.36Å; R196-E198 PolarHBondContact O-N 2.88Å; E198-L200 HydrophobicContact CB-CD1 4.29Å; E198-L200 HydrophobicContact CB-CG 4.22Å; E198-L200 PolarHBondContact O-N 2.81Å; E198-L200 VanDerWaalsContact O-N 3.16Å |
| 199 | S | 89.2 | Confident | 92.1 | Very high | 97 Ų | 97 | 60.5 Ų | 60.5 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 24.7 | -177.9 | -57.3 | 0 | 0 | 0 | 0 | 115.3 | A195 R196 K197 I201 | A195-S199 PolarHBondContact O-N 3.09Å; R196-S199 PolarHBondContact O-N 3.31Å; K197-S199 VanDerWaalsContact C-N 3.35Å; S199-I201 VanDerWaalsContact C-N 3.28Å |
| 200 | L | 90.3 | Very high | 92 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -82.5 | -7.7 | 172 | -59 | 174.3 | 0 | 0 | 0 | 112.5 | V114 Q115 I124 A195 E198 | V114-L200 CarbonylContact C-O 3.51Å; V114-L200 WeakPolarHBondContact CA-O 3.47Å; V114-L200 HydrophobicContact CG1-CB 4.5Å; Q115-L200 PolarHBondContact N-O 3.09Å; I124-L200 HydrophobicContact CD1-CD1 3.38Å; A195-L200 HydrophobicContact CB-CB 4.23Å; A195-L200 WeakPolarHBondContact O-CB 3.24Å; A195-L200 PolarHBondContact O-N 3.06Å; E198-L200 HydrophobicContact CB-CD1 4.29Å; E198-L200 HydrophobicContact CB-CG 4.22Å; E198-L200 PolarHBondContact O-N 2.81Å; E198-L200 VanDerWaalsContact O-N 3.16Å |
| 201 | I | 91.3 | Very high | 92 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -125 | 124.8 | 169 | -56.2 | 174.7 | 0 | 0 | 0 | 106.2 | V114 L192 A195 R196 S199 N203 L206 L207 L210 | V114-I201 HydrophobicContact CG2-CD1 4.35Å; V114-I201 HydrophobicContact CG2-CG1 4.2Å; L192-I201 HydrophobicContact CB-CD1 4.46Å; L192-I201 HydrophobicContact CD2-CD1 4.06Å; A195-I201 HydrophobicContact CB-CD1 4.06Å; A195-I201 HydrophobicContact CB-CG1 4.22Å; R196-I201 HydrophobicContact CB-CB 4.3Å; R196-I201 HydrophobicContact CB-CD1 4.47Å; R196-I201 WeakPolarHBondContact CD-O 3.47Å; R196-I201 PolarHBondContact NH1-O 3.05Å; S199-I201 VanDerWaalsContact C-N 3.28Å; I201-N203 PolarHBondContact O-N 2.61Å; I201-L206 HydrophobicContact CG2-CB 3.89Å; I201-L207 HydrophobicContact CD1-CD1 4.32Å; I201-L210 HydrophobicContact CD1-CD1 4.46Å |
| 202 | E | 86.1 | Confident | 91.8 | Very high | 111 Ų | 111 | 57.4 Ų | 57.4 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -59.8 | -47.5 | -167.1 | -63.3 | 177 | 139.5 | 0 | 0 | 113.6 | Q115 R196 L206 | Q115-E202 PolarHBondContact NE2-OE1 2.83Å; Q115-E202 PolarHBondContact OE1-OE1 3.3Å; R196-E202 PolarHBondContact NH1-O 3.38Å; R196-E202 VanDerWaalsContact NH1-O 3.1Å; E202-L206 HydrophobicContact CB-CD1 4.47Å |
| 203 | N | 87.7 | Confident | 91.8 | Very high | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | trans | -141 | 171.2 | -174.3 | 71 | 23.2 | 0 | 0 | 0 | 111.9 | I201 L205 L206 N1258 | I201-N203 PolarHBondContact O-N 2.61Å; N203-L205 PolarHBondContact OD1-N 2.99Å; N203-L206 VanDerWaalsContact OD1-CG 3.32Å; N203-L206 WeakPolarHBondContact OD1-CG 3.45Å; N203-L206 PolarHBondContact OD1-N 2.97Å; N203-N1258 PolarHBondContact ND2-OD1 3.38Å | ||
| 204 | D | 91.3 | Very high | 91.9 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -78.8 | -19 | -178.7 | -57 | -70.5 | 0 | 0 | 0 | 113.2 | R196 L207 N208 | R196-D204 IonicContact CZ-OD1 2.62Å; R196-D204 IonicContact CZ-OD2 2.83Å; R196-D204 VanDerWaalsContact NE-CG 3.28Å; R196-D204 IonicContact NE-OD1 3.68Å; R196-D204 PolarHBondContact NE-OD1 2.56Å; R196-D204 IonicContact NE-OD2 2.74Å; R196-D204 PolarHBondContact NE-OD2 2.73Å; R196-D204 IonicContact NH2-OD1 3.48Å; R196-D204 IonicContact NH2-OD2 2.69Å; R196-D204 PolarHBondContact NH2-OD2 2.64Å; D204-L207 PolarHBondContact O-N 2.64Å; D204-N208 WeakPolarHBondContact O-CB 3.16Å; D204-N208 VanDerWaalsContact O-CG 3.25Å; D204-N208 PolarHBondContact O-N 3.06Å; D204-N208 PolarHBondContact O-OD1 2.87Å |
| 205 | L | 89.1 | Confident | 92 | Very high | 119 Ų | 119 | 51.5 Ų | 51.5 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 174.7 | -178.7 | 63.8 | 0 | 0 | 0 | 111.4 | N203 L207 N208 Q209 | N203-L205 PolarHBondContact OD1-N 2.99Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.29Å; L205-N208 PolarHBondContact O-N 2.87Å; L205-Q209 WeakPolarHBondContact O-CB 3.47Å; L205-Q209 PolarHBondContact O-N 3.07Å; L205-Q209 VanDerWaalsContact O-N 3.07Å |
| 206 | L | 91 | Very high | 92 | Very high | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -32.7 | 174.3 | -64.8 | -178 | 0 | 0 | 0 | 112.1 | Y113 I201 E202 N203 L210 | Y113-L206 HydrophobicContact CD1-CD1 4.09Å; Y113-L206 HydrophobicContact CD1-CD2 3.8Å; Y113-L206 HydrophobicContact CD1-CG 4.42Å; Y113-L206 HydrophobicContact CD2-CB 3.91Å; Y113-L206 HydrophobicContact CD2-CD2 3.95Å; Y113-L206 HydrophobicContact CD2-CG 4.37Å; Y113-L206 HydrophobicContact CE1-CD2 3.69Å; Y113-L206 HydrophobicContact CE2-CB 4.45Å; Y113-L206 HydrophobicContact CE2-CD2 3.83Å; Y113-L206 HydrophobicContact CG-CB 4.09Å; Y113-L206 HydrophobicContact CG-CD1 4.07Å; Y113-L206 HydrophobicContact CG-CD2 3.96Å; Y113-L206 HydrophobicContact CG-CG 4.26Å; I201-L206 HydrophobicContact CG2-CB 3.89Å; E202-L206 HydrophobicContact CB-CD1 4.47Å; N203-L206 VanDerWaalsContact OD1-CG 3.32Å; N203-L206 WeakPolarHBondContact OD1-CG 3.45Å; N203-L206 PolarHBondContact OD1-N 2.97Å; L206-L210 WeakPolarHBondContact O-CG 3.42Å; L206-L210 PolarHBondContact O-N 2.9Å |
| 207 | L | 93.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 174.3 | 178.3 | 63.2 | 0 | 0 | 0 | 111.6 | L192 R196 I201 D204 L205 L210 I211 | L192-L207 HydrophobicContact CB-CD1 3.7Å; R196-L207 HydrophobicContact CB-CD2 3.87Å; R196-L207 HydrophobicContact CG-CD2 3.87Å; I201-L207 HydrophobicContact CD1-CD1 4.32Å; D204-L207 PolarHBondContact O-N 2.64Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.29Å; L207-L210 WeakPolarHBondContact O-CB 3.14Å; L207-L210 PolarHBondContact O-N 3.36Å; L207-I211 HydrophobicContact CD1-CD1 3.89Å; L207-I211 HydrophobicContact CD1-CG1 4.21Å; L207-I211 HydrophobicContact CD2-CD1 4.37Å; L207-I211 HydrophobicContact CG-CD1 3.81Å; L207-I211 HydrophobicContact CG-CG1 4.47Å; L207-I211 WeakPolarHBondContact O-CG1 3.16Å; L207-I211 PolarHBondContact O-N 3.3Å |
| 208 | N | 91.4 | Very high | 92.3 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | -179.3 | -69.9 | -5.4 | 0 | 0 | 0 | 111 | D204 L205 L210 I211 D212 | D204-N208 WeakPolarHBondContact O-CB 3.16Å; D204-N208 VanDerWaalsContact O-CG 3.25Å; D204-N208 PolarHBondContact O-N 3.06Å; D204-N208 PolarHBondContact O-OD1 2.87Å; L205-N208 PolarHBondContact O-N 2.87Å; N208-L210 PolarHBondContact O-N 3.27Å; N208-I211 PolarHBondContact O-N 3.04Å; N208-D212 VanDerWaalsContact O-CG 3.31Å; N208-D212 PolarHBondContact O-N 2.81Å |
| 209 | Q | 92.8 | Very high | 92.4 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.1 | -35.8 | 177.1 | -177.9 | 59.4 | 85 | 0 | 0 | 112.9 | L205 D213 | L205-Q209 WeakPolarHBondContact O-CB 3.47Å; L205-Q209 PolarHBondContact O-N 3.07Å; L205-Q209 VanDerWaalsContact O-N 3.07Å; Q209-D213 PolarHBondContact NE2-OD2 2.85Å; Q209-D213 PolarHBondContact O-N 2.74Å |
| 210 | L | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -46.4 | 172.3 | -82.1 | 170.7 | 0 | 0 | 0 | 112.3 | I106 Q109 V110 Y113 L192 I201 L206 L207 N208 D212 D213 I214 | I106-L210 HydrophobicContact CG2-CD2 4.18Å; Q109-L210 HydrophobicContact CB-CD2 3.49Å; Q109-L210 VanDerWaalsContact CB-CD2 3.49Å; Q109-L210 HydrophobicContact CB-CG 4.4Å; V110-L210 HydrophobicContact CG2-CD1 4.48Å; V110-L210 HydrophobicContact CG2-CD2 3.65Å; Y113-L210 HydrophobicContact CD2-CD1 3.86Å; Y113-L210 HydrophobicContact CD2-CD2 4.35Å; Y113-L210 HydrophobicContact CD2-CG 3.84Å; Y113-L210 HydrophobicContact CE2-CG 4.32Å; L192-L210 HydrophobicContact CD1-CB 4.18Å; L192-L210 HydrophobicContact CD1-CD1 4.32Å; L192-L210 HydrophobicContact CD2-CD1 4.18Å; I201-L210 HydrophobicContact CD1-CD1 4.46Å; L206-L210 WeakPolarHBondContact O-CG 3.42Å; L206-L210 PolarHBondContact O-N 2.9Å; L207-L210 WeakPolarHBondContact O-CB 3.14Å; L207-L210 PolarHBondContact O-N 3.36Å; N208-L210 PolarHBondContact O-N 3.27Å; L210-D212 VanDerWaalsContact C-N 3.33Å; L210-D212 PolarHBondContact O-N 2.95Å; L210-D213 PolarHBondContact O-N 3.06Å; L210-I214 WeakPolarHBondContact O-CB 3.45Å; L210-I214 VanDerWaalsContact O-CD1 3.3Å; L210-I214 WeakPolarHBondContact O-CD1 3.36Å; L210-I214 WeakPolarHBondContact O-CG1 3.35Å; L210-I214 PolarHBondContact O-N 2.81Å |
| 211 | I | 94.7 | Very high | 92.9 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.205 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | -179.4 | -71.9 | 171.9 | 0 | 0 | 0 | 110.7 | L207 N208 I214 M215 | L207-I211 HydrophobicContact CD1-CD1 3.89Å; L207-I211 HydrophobicContact CD1-CG1 4.21Å; L207-I211 HydrophobicContact CD2-CD1 4.37Å; L207-I211 HydrophobicContact CG-CD1 3.81Å; L207-I211 HydrophobicContact CG-CG1 4.47Å; L207-I211 WeakPolarHBondContact O-CG1 3.16Å; L207-I211 PolarHBondContact O-N 3.3Å; N208-I211 PolarHBondContact O-N 3.04Å; I211-I214 CarbonylContact O-C 3.46Å; I211-I214 WeakPolarHBondContact O-CB 3.34Å; I211-I214 PolarHBondContact O-N 2.59Å; I211-M215 HydrophobicContact CG2-CG 4.44Å; I211-M215 WeakPolarHBondContact O-CG 3.31Å; I211-M215 PolarHBondContact O-N 3.4Å |
| 212 | D | 92.8 | Very high | 93 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 20% | 0.198 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | -178.8 | -65 | -23.4 | 0 | 0 | 0 | 112.1 | N208 L210 I214 M215 N216 Y1169 | N208-D212 VanDerWaalsContact O-CG 3.31Å; N208-D212 PolarHBondContact O-N 2.81Å; L210-D212 VanDerWaalsContact C-N 3.33Å; L210-D212 PolarHBondContact O-N 2.95Å; D212-I214 VanDerWaalsContact C-N 3.33Å; D212-I214 PolarHBondContact O-N 2.84Å; D212-M215 WeakPolarHBondContact O-CB 3.5Å; D212-M215 PolarHBondContact O-N 2.99Å; D212-M215 VanDerWaalsContact O-N 3.15Å; D212-N216 PolarHBondContact O-N 3.31Å; D212-N216 PolarHBondContact O-ND2 3.06Å; D212-Y1169 WeakPolarHBondContact OD1-CE1 3.35Å; D212-Y1169 VanDerWaalsContact OD1-CZ 3.24Å; D212-Y1169 PolarHBondContact OD1-OH 3.21Å |
| 213 | D | 94.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.8 | -31.5 | 175.1 | -76.6 | -28.8 | 0 | 0 | 0 | 112.5 | R105 I106 Q109 Q209 L210 N216 Y217 | R105-D213 IonicContact CZ-OD1 3.61Å; R105-D213 VanDerWaalsContact CZ-OD1 3.3Å; R105-D213 IonicContact CZ-OD2 3.78Å; R105-D213 VanDerWaalsContact CZ-OD2 3.24Å; R105-D213 IonicContact NE-OD1 3.66Å; R105-D213 PolarHBondContact NE-OD1 3.4Å; R105-D213 IonicContact NE-OD2 3.08Å; R105-D213 PolarHBondContact NE-OD2 3.21Å; R105-D213 IonicContact NH2-OD1 3.51Å; R105-D213 PolarHBondContact NH2-OD1 2.93Å; R105-D213 IonicContact NH2-OD2 2.68Å; R105-D213 PolarHBondContact NH2-OD2 2.82Å; I106-D213 HydrophobicContact CG1-CB 4.03Å; Q109-D213 PolarHBondContact NE2-OD2 2.84Å; Q109-D213 PolarHBondContact OE1-OD2 2.75Å; Q209-D213 PolarHBondContact NE2-OD2 2.85Å; Q209-D213 PolarHBondContact O-N 2.74Å; L210-D213 PolarHBondContact O-N 3.06Å; D213-N216 PolarHBondContact O-N 2.9Å; D213-Y217 WeakPolarHBondContact O-CB 3.29Å; D213-Y217 PolarHBondContact O-N 2.9Å |
| 214 | I | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68 | -36.6 | 169.7 | -66.8 | 162.6 | 0 | 0 | 0 | 111.3 | I106 L132 I185 L192 L210 I211 D212 Y217 R218 | I106-I214 HydrophobicContact CD1-CG1 3.98Å; I106-I214 HydrophobicContact CG1-CG1 4.4Å; I106-I214 HydrophobicContact CG2-CD1 4.15Å; I106-I214 HydrophobicContact CG2-CG1 3.75Å; L132-I214 HydrophobicContact CD2-CG1 4.31Å; L132-I214 HydrophobicContact CD2-CG2 4.34Å; I185-I214 HydrophobicContact CG2-CG2 3.8Å; L192-I214 HydrophobicContact CD1-CD1 3.43Å; L192-I214 VanDerWaalsContact CD1-CD1 3.43Å; L210-I214 WeakPolarHBondContact O-CB 3.45Å; L210-I214 VanDerWaalsContact O-CD1 3.3Å; L210-I214 WeakPolarHBondContact O-CD1 3.36Å; L210-I214 WeakPolarHBondContact O-CG1 3.35Å; L210-I214 PolarHBondContact O-N 2.81Å; I211-I214 CarbonylContact O-C 3.46Å; I211-I214 WeakPolarHBondContact O-CB 3.34Å; I211-I214 PolarHBondContact O-N 2.59Å; D212-I214 VanDerWaalsContact C-N 3.33Å; D212-I214 PolarHBondContact O-N 2.84Å; I214-Y217 PolarHBondContact O-N 2.82Å; I214-R218 WeakPolarHBondContact O-CB 3.48Å; I214-R218 PolarHBondContact O-N 2.93Å |
| 215 | M | 95.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.3 | -37 | 174.5 | -73.5 | -55 | 107.8 | 0 | 0 | 112.5 | I185 I211 D212 R218 Q219 | I185-M215 HydrophobicContact CG2-CE 3.77Å; I211-M215 HydrophobicContact CG2-CG 4.44Å; I211-M215 WeakPolarHBondContact O-CG 3.31Å; I211-M215 PolarHBondContact O-N 3.4Å; D212-M215 WeakPolarHBondContact O-CB 3.5Å; D212-M215 PolarHBondContact O-N 2.99Å; D212-M215 VanDerWaalsContact O-N 3.15Å; M215-R218 PolarHBondContact O-N 3.4Å; M215-Q219 PolarHBondContact O-N 2.84Å |
| 216 | N | 93.8 | Very high | 94.1 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63 | -47.2 | 171.4 | -70.3 | -36 | 0 | 0 | 0 | 111 | D212 D213 R218 Q219 N220 | D212-N216 PolarHBondContact O-N 3.31Å; D212-N216 PolarHBondContact O-ND2 3.06Å; D213-N216 PolarHBondContact O-N 2.9Å; N216-R218 PolarHBondContact O-N 2.8Å; N216-Q219 WeakPolarHBondContact O-CB 3.46Å; N216-Q219 PolarHBondContact O-N 2.88Å; N216-N220 PolarHBondContact O-N 2.89Å; N216-N220 PolarHBondContact O-OD1 2.89Å |
| 217 | Y | 96.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.2 | -176.4 | -91 | 0 | 0 | 0 | 112.5 | P103 I106 L132 Q136 I185 D213 I214 Q219 N220 L221 | P103-Y217 HydrophobicContact CB-CE2 4.2Å; I106-Y217 HydrophobicContact CD1-CD2 4.25Å; I106-Y217 HydrophobicContact CD1-CG 4.07Å; L132-Y217 HydrophobicContact CB-CE1 4.05Å; L132-Y217 HydrophobicContact CD2-CD1 3.83Å; L132-Y217 HydrophobicContact CD2-CE1 3.93Å; L132-Y217 HydrophobicContact CD2-CG 4.48Å; L132-Y217 PolarHBondContact O-OH 3.1Å; Q136-Y217 WeakPolarHBondContact CB-OH 3.39Å; Q136-Y217 PolarHBondContact OE1-OH 2.83Å; I185-Y217 HydrophobicContact CD1-CD1 4.34Å; D213-Y217 WeakPolarHBondContact O-CB 3.29Å; D213-Y217 PolarHBondContact O-N 2.9Å; I214-Y217 PolarHBondContact O-N 2.82Å; Y217-Q219 VanDerWaalsContact C-N 3.3Å; Y217-Q219 PolarHBondContact O-N 3.39Å; Y217-N220 PolarHBondContact O-N 2.8Å; Y217-L221 HydrophobicContact CD1-CD1 4.08Å; Y217-L221 HydrophobicContact CD1-CG 4.48Å; Y217-L221 HydrophobicContact CE1-CD1 3.72Å; Y217-L221 HydrophobicContact CE1-CG 4.33Å; Y217-L221 WeakPolarHBondContact O-CG 3.34Å; Y217-L221 PolarHBondContact O-N 2.89Å; Y217-L221 VanDerWaalsContact O-N 3.12Å |
| 218 | R | 95.9 | Very high | 94.2 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -37.5 | 171.9 | -176.3 | -147 | 55.7 | 63.6 | 3.8 | 112.1 | I185 I214 M215 N216 M222 | I185-R218 HydrophobicContact CG1-CB 4.46Å; I185-R218 HydrophobicContact CG1-CG 4.39Å; I185-R218 HydrophobicContact CG2-CB 4.15Å; I185-R218 HydrophobicContact CG2-CG 4.22Å; I214-R218 WeakPolarHBondContact O-CB 3.48Å; I214-R218 PolarHBondContact O-N 2.93Å; M215-R218 PolarHBondContact O-N 3.4Å; N216-R218 PolarHBondContact O-N 2.8Å; R218-M222 PolarHBondContact O-N 2.85Å |
| 219 | Q | 93.5 | Very high | 94.3 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 178.9 | -171.3 | 59.8 | 20 | 0 | 0 | 112 | M215 N216 Y217 L221 M222 M223 | M215-Q219 PolarHBondContact O-N 2.84Å; N216-Q219 WeakPolarHBondContact O-CB 3.46Å; N216-Q219 PolarHBondContact O-N 2.88Å; Y217-Q219 VanDerWaalsContact C-N 3.3Å; Y217-Q219 PolarHBondContact O-N 3.39Å; Q219-L221 PolarHBondContact O-N 2.9Å; Q219-M222 WeakPolarHBondContact O-CB 3.41Å; Q219-M222 PolarHBondContact O-N 2.71Å; Q219-M222 VanDerWaalsContact O-N 3.15Å; Q219-M223 PolarHBondContact O-N 2.82Å |
| 220 | N | 94.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.4 | -65.7 | 11.6 | 0 | 0 | 0 | 111.2 | N216 Y217 M222 M223 L224 | N216-N220 PolarHBondContact O-N 2.89Å; N216-N220 PolarHBondContact O-OD1 2.89Å; Y217-N220 PolarHBondContact O-N 2.8Å; N220-M222 VanDerWaalsContact C-N 3.3Å; N220-M222 PolarHBondContact O-N 3.09Å; N220-M223 WeakPolarHBondContact O-CB 3.39Å; N220-M223 PolarHBondContact O-N 3.46Å; N220-M223 VanDerWaalsContact O-N 3.09Å; N220-L224 PolarHBondContact O-N 2.84Å; N220-L224 VanDerWaalsContact O-N 3.17Å |
| 221 | L | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 173.7 | -69 | -175.6 | 0 | 0 | 0 | 113.1 | A135 Q136 V139 F181 Y217 Q219 L224 L225 | A135-L221 HydrophobicContact CB-CD1 4.06Å; Q136-L221 HydrophobicContact CB-CD1 4.25Å; Q136-L221 HydrophobicContact CB-CD2 4.02Å; Q136-L221 HydrophobicContact CG-CD2 4.16Å; V139-L221 HydrophobicContact CG2-CB 4.33Å; F181-L221 HydrophobicContact CD2-CB 4.47Å; F181-L221 HydrophobicContact CE2-CB 4.09Å; Y217-L221 HydrophobicContact CD1-CD1 4.08Å; Y217-L221 HydrophobicContact CD1-CG 4.48Å; Y217-L221 HydrophobicContact CE1-CD1 3.72Å; Y217-L221 HydrophobicContact CE1-CG 4.33Å; Y217-L221 WeakPolarHBondContact O-CG 3.34Å; Y217-L221 PolarHBondContact O-N 2.89Å; Y217-L221 VanDerWaalsContact O-N 3.12Å; Q219-L221 PolarHBondContact O-N 2.9Å; L221-L224 HydrophobicContact CD2-CD1 4.11Å; L221-L224 PolarHBondContact O-N 2.82Å; L221-L225 PolarHBondContact O-N 3.18Å |
| 222 | M | 93.9 | Very high | 93.9 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 173.3 | -174.6 | 64.7 | 93 | 0 | 0 | 112.1 | F181 R218 Q219 N220 L224 L225 N226 | F181-M222 HydrophobicContact CE1-CE 4.12Å; F181-M222 HydrophobicContact CE1-SD 4.28Å; F181-M222 HydrophobicContact CZ-CB 4.36Å; F181-M222 HydrophobicContact CZ-CE 3.93Å; F181-M222 HydrophobicContact CZ-SD 4.08Å; R218-M222 PolarHBondContact O-N 2.85Å; Q219-M222 WeakPolarHBondContact O-CB 3.41Å; Q219-M222 PolarHBondContact O-N 2.71Å; Q219-M222 VanDerWaalsContact O-N 3.15Å; N220-M222 VanDerWaalsContact C-N 3.3Å; N220-M222 PolarHBondContact O-N 3.09Å; M222-L224 VanDerWaalsContact C-N 3.32Å; M222-L224 PolarHBondContact O-N 3.03Å; M222-L225 WeakPolarHBondContact O-CB 3.44Å; M222-L225 PolarHBondContact O-N 2.89Å; M222-L225 HydrophobicContact SD-CD1 4.3Å; M222-N226 VanDerWaalsContact O-CG 3.31Å; M222-N226 PolarHBondContact O-N 3.5Å; M222-N226 PolarHBondContact O-ND2 3.26Å |
| 223 | M | 93.6 | Very high | 93.9 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65 | -34.6 | 176.1 | -72.6 | -57.3 | -59.6 | 0 | 0 | 112.6 | N99 Q219 N220 L225 N226 Y227 | N99-M223 HydrophobicContact CB-CB 4.13Å; N99-M223 WeakPolarHBondContact OD1-CB 3.26Å; Q219-M223 PolarHBondContact O-N 2.82Å; N220-M223 WeakPolarHBondContact O-CB 3.39Å; N220-M223 PolarHBondContact O-N 3.46Å; N220-M223 VanDerWaalsContact O-N 3.09Å; M223-L225 PolarHBondContact O-N 3.14Å; M223-N226 PolarHBondContact O-N 3.28Å; M223-Y227 HydrophobicContact CB-CE2 4.48Å; M223-Y227 HydrophobicContact CE-CE2 4.01Å; M223-Y227 WeakPolarHBondContact O-CD2 3.34Å; M223-Y227 PolarHBondContact O-N 3.39Å |
| 224 | L | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 171.4 | -62.8 | 177.8 | 0 | 0 | 0 | 112 | V96 N99 I100 V139 L140 I143 N220 L221 M222 Y227 D228 | V96-L224 HydrophobicContact CG1-CD2 4.13Å; V96-L224 WeakPolarHBondContact O-CD2 3.08Å; N99-L224 HydrophobicContact CB-CD2 3.8Å; N99-L224 HydrophobicContact CB-CG 4.15Å; I100-L224 HydrophobicContact CG1-CD2 4.48Å; V139-L224 HydrophobicContact CG1-CB 4.22Å; V139-L224 HydrophobicContact CG1-CD1 4.37Å; L140-L224 HydrophobicContact CD2-CD1 4.3Å; I143-L224 HydrophobicContact CD1-CB 3.8Å; N220-L224 PolarHBondContact O-N 2.84Å; N220-L224 VanDerWaalsContact O-N 3.17Å; L221-L224 HydrophobicContact CD2-CD1 4.11Å; L221-L224 PolarHBondContact O-N 2.82Å; M222-L224 VanDerWaalsContact C-N 3.32Å; M222-L224 PolarHBondContact O-N 3.03Å; L224-Y227 PolarHBondContact O-N 3.33Å; L224-D228 PolarHBondContact O-N 3.22Å |
| 225 | L | 94.2 | Very high | 93.8 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.131 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 175.8 | -65.3 | 174.1 | 0 | 0 | 0 | 112.4 | V139 I143 F181 L221 M222 M223 Y227 D228 W229 | V139-L225 HydrophobicContact CG1-CD2 3.86Å; V139-L225 HydrophobicContact CG1-CG 3.97Å; V139-L225 HydrophobicContact CG2-CD1 4.15Å; V139-L225 HydrophobicContact CG2-CD2 4.44Å; V139-L225 HydrophobicContact CG2-CG 4.31Å; I143-L225 HydrophobicContact CG2-CD2 3.76Å; F181-L225 HydrophobicContact CD1-CD1 3.62Å; F181-L225 HydrophobicContact CE1-CD1 3.32Å; F181-L225 HydrophobicContact CE2-CD1 4.48Å; F181-L225 HydrophobicContact CG-CD1 4.32Å; F181-L225 HydrophobicContact CZ-CD1 3.8Å; L221-L225 PolarHBondContact O-N 3.18Å; M222-L225 WeakPolarHBondContact O-CB 3.44Å; M222-L225 PolarHBondContact O-N 2.89Å; M222-L225 HydrophobicContact SD-CD1 4.3Å; M223-L225 PolarHBondContact O-N 3.14Å; L225-Y227 VanDerWaalsContact C-N 3.33Å; L225-D228 PolarHBondContact O-N 3.16Å; L225-W229 VanDerWaalsContact O-CB 3.28Å; L225-W229 WeakPolarHBondContact O-CB 2.76Å; L225-W229 PolarHBondContact O-N 3.48Å |
| 226 | N | 93.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 65 Ų | 65 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 175 | -69.6 | -21.8 | 0 | 0 | 0 | 111.7 | M222 M223 I230 | M222-N226 VanDerWaalsContact O-CG 3.31Å; M222-N226 PolarHBondContact O-N 3.5Å; M222-N226 PolarHBondContact O-ND2 3.26Å; M223-N226 PolarHBondContact O-N 3.28Å; N226-I230 WeakPolarHBondContact O-CB 3.35Å; N226-I230 PolarHBondContact O-N 2.91Å |
| 227 | Y | 93.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 174.8 | -74.6 | -55.5 | 0 | 0 | 0 | 112.2 | R92 D95 V96 M223 L224 L225 I230 | R92-Y227 HydrophobicContact CG-CD1 4.16Å; R92-Y227 HydrophobicContact CG-CE1 4.29Å; R92-Y227 PolarHBondContact NH2-O 2.88Å; D95-Y227 HydrophobicContact CB-CE2 4.02Å; D95-Y227 VanDerWaalsContact CB-OH 3.23Å; D95-Y227 WeakPolarHBondContact CB-OH 3.46Å; V96-Y227 HydrophobicContact CG2-CD1 4.49Å; V96-Y227 HydrophobicContact CG2-CD2 3.72Å; V96-Y227 HydrophobicContact CG2-CE2 4.42Å; V96-Y227 HydrophobicContact CG2-CG 3.79Å; M223-Y227 HydrophobicContact CB-CE2 4.48Å; M223-Y227 HydrophobicContact CE-CE2 4.01Å; M223-Y227 WeakPolarHBondContact O-CD2 3.34Å; M223-Y227 PolarHBondContact O-N 3.39Å; L224-Y227 PolarHBondContact O-N 3.33Å; L225-Y227 VanDerWaalsContact C-N 3.33Å; Y227-I230 CarbonylContact O-C 3.52Å; Y227-I230 VanDerWaalsContact O-O 3.13Å |
| 228 | D | 94.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 67 Ų | 67 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 175 | -177.7 | 72.7 | 0 | 0 | 0 | 111.9 | I143 L224 L225 | I143-D228 HydrophobicContact CB-CB 3.98Å; I143-D228 HydrophobicContact CG2-CB 3.56Å; L224-D228 PolarHBondContact O-N 3.22Å; L225-D228 PolarHBondContact O-N 3.16Å |
| 229 | W | 92.8 | Very high | 93.8 | Very high | 208 Ų | 208 | 67.6 Ų | 67.6 | 79% | 0.788 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | -177.6 | -176.4 | 26.4 | 0 | 0 | 0 | 113.3 | L225 | L225-W229 VanDerWaalsContact O-CB 3.28Å; L225-W229 WeakPolarHBondContact O-CB 2.76Å; L225-W229 PolarHBondContact O-N 3.48Å |
| 230 | I | 91.5 | Very high | 93.9 | Very high | 108 Ų | 108 | 63.8 Ų | 63.8 | 55% | 0.554 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -102.1 | 86.3 | 179.4 | -54.2 | 173.6 | 0 | 0 | 0 | 108.3 | R92 N226 Y227 | R92-I230 PolarHBondContact NH1-O 2.98Å; N226-I230 WeakPolarHBondContact O-CB 3.35Å; N226-I230 PolarHBondContact O-N 2.91Å; Y227-I230 CarbonylContact O-C 3.52Å; Y227-I230 VanDerWaalsContact O-O 3.13Å |
| 231 | S | 90.3 | Very high | 93.9 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 171.8 | 175.2 | 74.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 232 | V | 91.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -55.9 | 135.5 | 161.2 | 172.7 | 0 | 0 | 0 | 0 | 108.6 | Y85 M88 V89 L234 I295 | Y85-V232 HydrophobicContact CE2-CG1 3.9Å; M88-V232 HydrophobicContact CE-CB 4.49Å; M88-V232 HydrophobicContact CE-CG1 3.47Å; M88-V232 VanDerWaalsContact CE-CG1 3.47Å; M88-V232 HydrophobicContact CE-CG2 4.21Å; V89-V232 HydrophobicContact CG2-CG2 4.3Å; V232-L234 PolarHBondContact O-N 2.94Å; V232-L234 VanDerWaalsContact O-N 3.15Å; V232-I295 HydrophobicContact CB-CD1 4.34Å; V232-I295 HydrophobicContact CG2-CG1 4.33Å |
| 233 | P | 93.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 120.2 | -178 | -29.3 | 36.3 | 0 | 0 | 0 | 112.2 | V235 Y236 T237 | P233-V235 HydrophobicContact CB-CG1 4.36Å; P233-V235 PolarHBondContact O-N 3.13Å; P233-V235 VanDerWaalsContact O-N 3.08Å; P233-Y236 WeakPolarHBondContact O-CB 3.46Å; P233-Y236 PolarHBondContact O-N 3.16Å; P233-T237 PolarHBondContact O-N 3.37Å |
| 234 | L | 93.4 | Very high | 94 | Very high | 114 Ų | 114 | 63.1 Ų | 63.1 | 60% | 0.597 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -53.3 | -36.9 | -172.2 | 178.3 | 61.7 | 0 | 0 | 0 | 113.1 | V232 Y236 T237 Q238 | V232-L234 PolarHBondContact O-N 2.94Å; V232-L234 VanDerWaalsContact O-N 3.15Å; L234-Y236 VanDerWaalsContact C-N 3.27Å; L234-Y236 PolarHBondContact O-N 3.13Å; L234-T237 PolarHBondContact O-N 3.35Å; L234-Q238 HydrophobicContact CD1-CG 4.24Å; L234-Q238 HydrophobicContact CG-CG 4.3Å; L234-Q238 WeakPolarHBondContact O-CB 3.49Å; L234-Q238 VanDerWaalsContact O-CG 3.27Å; L234-Q238 WeakPolarHBondContact O-CG 3.37Å; L234-Q238 PolarHBondContact O-N 3.11Å |
| 235 | V | 95.6 | Very high | 93.9 | Very high | 96 Ų | 96 | 68.2 Ų | 68.2 | 58% | 0.582 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.2 | -35.6 | 176 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | P233 Q238 V239 | P233-V235 HydrophobicContact CB-CG1 4.36Å; P233-V235 PolarHBondContact O-N 3.13Å; P233-V235 VanDerWaalsContact O-N 3.08Å; V235-Q238 PolarHBondContact O-N 2.93Å; V235-V239 WeakPolarHBondContact O-CB 3.27Å; V235-V239 VanDerWaalsContact O-CG2 3.26Å; V235-V239 WeakPolarHBondContact O-CG2 3.17Å; V235-V239 PolarHBondContact O-N 3.4Å |
| 236 | Y | 94.6 | Very high | 93.9 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.8 | -45.4 | -179.9 | -167.1 | -175 | 0 | 0 | 0 | 110.7 | F84 Y85 M88 P233 L234 Q238 V239 V240 | F84-Y236 VanDerWaalsContact CB-OH 3.3Å; F84-Y236 WeakPolarHBondContact CB-OH 3.24Å; Y85-Y236 HydrophobicContact CD2-CD1 4.29Å; Y85-Y236 HydrophobicContact CD2-CD2 4.19Å; Y85-Y236 HydrophobicContact CD2-CE1 4.38Å; Y85-Y236 HydrophobicContact CD2-CE2 4.28Å; Y85-Y236 HydrophobicContact CD2-CG 4.19Å; Y85-Y236 PolarHBondContact N-OH 3.1Å; M88-Y236 HydrophobicContact CE-CD1 3.55Å; M88-Y236 HydrophobicContact CE-CE1 3.55Å; M88-Y236 HydrophobicContact SD-CD1 4.25Å; M88-Y236 HydrophobicContact SD-CE1 4.08Å; P233-Y236 WeakPolarHBondContact O-CB 3.46Å; P233-Y236 PolarHBondContact O-N 3.16Å; L234-Y236 VanDerWaalsContact C-N 3.27Å; L234-Y236 PolarHBondContact O-N 3.13Å; Y236-Q238 VanDerWaalsContact C-N 3.32Å; Y236-Q238 PolarHBondContact O-N 3.31Å; Y236-V239 PolarHBondContact O-N 3.22Å; Y236-V240 HydrophobicContact CD2-CG2 3.76Å; Y236-V240 HydrophobicContact CE2-CG2 3.76Å; Y236-V240 WeakPolarHBondContact O-CG2 3.26Å; Y236-V240 PolarHBondContact O-N 3.17Å |
| 237 | T | 94.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 67 Ų | 67 | 18% | 0.184 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.3 | -48.4 | 170.1 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | Y85 P233 L234 V239 V240 T241 | Y85-T237 WeakPolarHBondContact CE2-OG1 3.49Å; Y85-T237 WeakPolarHBondContact OH-CB 3.43Å; Y85-T237 VanDerWaalsContact OH-CG2 3.31Å; Y85-T237 WeakPolarHBondContact OH-CG2 3.43Å; Y85-T237 PolarHBondContact OH-OG1 3.07Å; P233-T237 PolarHBondContact O-N 3.37Å; L234-T237 PolarHBondContact O-N 3.35Å; T237-V239 PolarHBondContact O-N 3.14Å; T237-V240 PolarHBondContact O-N 3.19Å; T237-T241 PolarHBondContact O-N 2.89Å; T237-T241 PolarHBondContact O-OG1 3.44Å; T237-T241 VanDerWaalsContact O-OG1 3.13Å |
| 238 | Q | 96 | Very high | 94 | Very high | 96 Ų | 96 | 65.2 Ų | 65.2 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 177.4 | -75.2 | 173.4 | -14 | 0 | 0 | 112.5 | L234 V235 Y236 V240 T241 I242 | L234-Q238 HydrophobicContact CD1-CG 4.24Å; L234-Q238 HydrophobicContact CG-CG 4.3Å; L234-Q238 WeakPolarHBondContact O-CB 3.49Å; L234-Q238 VanDerWaalsContact O-CG 3.27Å; L234-Q238 WeakPolarHBondContact O-CG 3.37Å; L234-Q238 PolarHBondContact O-N 3.11Å; V235-Q238 PolarHBondContact O-N 2.93Å; Y236-Q238 VanDerWaalsContact C-N 3.32Å; Y236-Q238 PolarHBondContact O-N 3.31Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 3.19Å; Q238-T241 PolarHBondContact O-N 2.88Å; Q238-I242 HydrophobicContact CB-CD1 4.42Å; Q238-I242 VanDerWaalsContact O-CB 3.23Å; Q238-I242 WeakPolarHBondContact O-CB 3.29Å; Q238-I242 WeakPolarHBondContact O-CD1 3.32Å; Q238-I242 WeakPolarHBondContact O-CG1 3.43Å; Q238-I242 PolarHBondContact O-N 2.76Å |
| 239 | V | 94.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 64.6 Ų | 64.6 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 177.7 | 164 | 0 | 0 | 0 | 0 | 111.6 | V235 Y236 T237 A243 | V235-V239 WeakPolarHBondContact O-CB 3.27Å; V235-V239 VanDerWaalsContact O-CG2 3.26Å; V235-V239 WeakPolarHBondContact O-CG2 3.17Å; V235-V239 PolarHBondContact O-N 3.4Å; Y236-V239 PolarHBondContact O-N 3.22Å; T237-V239 PolarHBondContact O-N 3.14Å; V239-A243 WeakPolarHBondContact O-CB 3.08Å; V239-A243 PolarHBondContact O-N 2.86Å |
| 240 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.2 | -48.5 | 179.7 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | I81 L82 Y85 Y236 T237 Q238 I242 A243 V244 L288 | I81-V240 HydrophobicContact CG2-CB 4.11Å; I81-V240 HydrophobicContact CG2-CG1 4.24Å; I81-V240 HydrophobicContact CG2-CG2 3.58Å; L82-V240 HydrophobicContact CD2-CG1 3.69Å; L82-V240 HydrophobicContact CG-CG1 4.36Å; Y85-V240 HydrophobicContact CD1-CB 4.26Å; Y85-V240 HydrophobicContact CD1-CG1 3.81Å; Y85-V240 HydrophobicContact CD1-CG2 4.14Å; Y85-V240 HydrophobicContact CD2-CG2 3.78Å; Y85-V240 HydrophobicContact CE1-CG1 4.36Å; Y85-V240 HydrophobicContact CE2-CG2 4.47Å; Y85-V240 HydrophobicContact CG-CB 4.21Å; Y85-V240 HydrophobicContact CG-CG1 4.1Å; Y85-V240 HydrophobicContact CG-CG2 3.59Å; Y236-V240 HydrophobicContact CD2-CG2 3.76Å; Y236-V240 HydrophobicContact CE2-CG2 3.76Å; Y236-V240 WeakPolarHBondContact O-CG2 3.26Å; Y236-V240 PolarHBondContact O-N 3.17Å; T237-V240 PolarHBondContact O-N 3.19Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 3.19Å; V240-I242 PolarHBondContact O-N 2.65Å; V240-A243 PolarHBondContact O-N 3.45Å; V240-V244 WeakPolarHBondContact O-CG2 3.37Å; V240-V244 PolarHBondContact O-N 2.89Å; V240-V244 VanDerWaalsContact O-N 3.07Å; V240-L288 HydrophobicContact CG1-CD1 4.09Å |
| 241 | T | 95.4 | Very high | 94 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | T237 Q238 A243 V244 Y245 | T237-T241 PolarHBondContact O-N 2.89Å; T237-T241 PolarHBondContact O-OG1 3.44Å; T237-T241 VanDerWaalsContact O-OG1 3.13Å; Q238-T241 PolarHBondContact O-N 2.88Å; T241-A243 PolarHBondContact O-N 3.02Å; T241-V244 PolarHBondContact O-N 3.48Å; T241-Y245 HydrophobicContact CG2-CD1 4.09Å; T241-Y245 HydrophobicContact CG2-CD2 3.87Å; T241-Y245 HydrophobicContact CG2-CE1 3.9Å; T241-Y245 HydrophobicContact CG2-CE2 3.66Å; T241-Y245 HydrophobicContact CG2-CG 4.09Å; T241-Y245 VanDerWaalsContact O-CB 3.28Å; T241-Y245 WeakPolarHBondContact O-CB 3.28Å; T241-Y245 PolarHBondContact O-N 2.64Å |
| 242 | I | 95 | Very high | 94.2 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | 176.6 | -71.2 | 165.7 | 0 | 0 | 0 | 111.1 | Q238 V240 G246 | Q238-I242 HydrophobicContact CB-CD1 4.42Å; Q238-I242 VanDerWaalsContact O-CB 3.23Å; Q238-I242 WeakPolarHBondContact O-CB 3.29Å; Q238-I242 WeakPolarHBondContact O-CD1 3.32Å; Q238-I242 WeakPolarHBondContact O-CG1 3.43Å; Q238-I242 PolarHBondContact O-N 2.76Å; V240-I242 PolarHBondContact O-N 2.65Å; I242-G246 WeakPolarHBondContact O-CA 3.36Å; I242-G246 PolarHBondContact O-N 3.49Å |
| 243 | A | 94.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I76 L78 I81 V239 V240 T241 F247 | I76-A243 HydrophobicContact CG2-CB 4.11Å; L78-A243 HydrophobicContact CD2-CB 4.08Å; I81-A243 HydrophobicContact CD1-CB 4.23Å; V239-A243 WeakPolarHBondContact O-CB 3.08Å; V239-A243 PolarHBondContact O-N 2.86Å; V240-A243 PolarHBondContact O-N 3.45Å; T241-A243 PolarHBondContact O-N 3.02Å; A243-F247 WeakPolarHBondContact O-CB 3.39Å; A243-F247 PolarHBondContact O-N 2.96Å |
| 244 | V | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | L78 L82 V240 T241 F247 F248 M285 L288 | L78-V244 HydrophobicContact CD2-CG2 4Å; L82-V244 HydrophobicContact CD1-CG2 3.97Å; L82-V244 HydrophobicContact CD2-CG2 4.04Å; L82-V244 HydrophobicContact CG-CG2 4.15Å; V240-V244 WeakPolarHBondContact O-CG2 3.37Å; V240-V244 PolarHBondContact O-N 2.89Å; V240-V244 VanDerWaalsContact O-N 3.07Å; T241-V244 PolarHBondContact O-N 3.48Å; V244-F247 PolarHBondContact O-N 3.13Å; V244-F248 HydrophobicContact CG1-CD2 3.86Å; V244-F248 HydrophobicContact CG1-CE2 3.8Å; V244-F248 VanDerWaalsContact O-CD2 3.23Å; V244-F248 WeakPolarHBondContact O-CD2 3.21Å; V244-F248 PolarHBondContact O-N 3.43Å; V244-M285 HydrophobicContact CG1-SD 4.3Å; V244-L288 HydrophobicContact CB-CD2 4Å; V244-L288 HydrophobicContact CG1-CD2 3.89Å; V244-L288 HydrophobicContact CG2-CD2 4.21Å |
| 245 | Y | 94.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 43% | 0.427 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.6 | -36.6 | -178.5 | -73.3 | 13.9 | 0 | 0 | 0 | 111.5 | T241 F248 A249 M285 L288 | T241-Y245 HydrophobicContact CG2-CD1 4.09Å; T241-Y245 HydrophobicContact CG2-CD2 3.87Å; T241-Y245 HydrophobicContact CG2-CE1 3.9Å; T241-Y245 HydrophobicContact CG2-CE2 3.66Å; T241-Y245 HydrophobicContact CG2-CG 4.09Å; T241-Y245 VanDerWaalsContact O-CB 3.28Å; T241-Y245 WeakPolarHBondContact O-CB 3.28Å; T241-Y245 PolarHBondContact O-N 2.64Å; Y245-F248 PolarHBondContact O-N 3.32Å; Y245-A249 VanDerWaalsContact O-CB 3.24Å; Y245-A249 WeakPolarHBondContact O-CB 3.2Å; Y245-A249 PolarHBondContact O-N 3.02Å; Y245-M285 HydrophobicContact CD1-SD 4.49Å; Y245-M285 HydrophobicContact CE1-CE 3.72Å; Y245-M285 HydrophobicContact CE1-SD 3.93Å; Y245-L288 HydrophobicContact CE1-CD2 3.99Å |
| 246 | G | 93 | Very high | 94.1 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I242 A249 A250 | I242-G246 WeakPolarHBondContact O-CA 3.36Å; I242-G246 PolarHBondContact O-N 3.49Å; G246-A249 PolarHBondContact O-N 3Å; G246-A250 WeakPolarHBondContact O-CB 3.42Å; G246-A250 PolarHBondContact O-N 3.1Å |
| 247 | F | 94.1 | Very high | 94 | Very high | 16 Ų | 16 | 37 Ų | 37 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 172.1 | 178.3 | -88.4 | 0 | 0 | 0 | 111.6 | L73 I76 L78 A243 V244 A250 S251 Y284 | L73-F247 HydrophobicContact CB-CD2 4.48Å; L73-F247 HydrophobicContact CB-CE2 4.2Å; L73-F247 HydrophobicContact CD2-CD2 3.7Å; L73-F247 HydrophobicContact CD2-CE2 3.94Å; L73-F247 HydrophobicContact CD2-CG 4.08Å; L73-F247 VanDerWaalsContact CD2-O 3.25Å; L73-F247 WeakPolarHBondContact CD2-O 3.38Å; L73-F247 HydrophobicContact CG-CE2 4.49Å; I76-F247 HydrophobicContact CD1-CB 4.06Å; L78-F247 HydrophobicContact CD1-CB 3.93Å; L78-F247 HydrophobicContact CD1-CD1 3.76Å; L78-F247 HydrophobicContact CD1-CD2 3.82Å; L78-F247 HydrophobicContact CD1-CE1 4.18Å; L78-F247 HydrophobicContact CD1-CE2 4.23Å; L78-F247 HydrophobicContact CD1-CG 3.57Å; L78-F247 HydrophobicContact CD1-CZ 4.4Å; L78-F247 HydrophobicContact CD2-CB 4.29Å; L78-F247 HydrophobicContact CG-CB 4.42Å; L78-F247 HydrophobicContact CG-CD2 4.34Å; L78-F247 HydrophobicContact CG-CG 4.35Å; A243-F247 WeakPolarHBondContact O-CB 3.39Å; A243-F247 PolarHBondContact O-N 2.96Å; V244-F247 PolarHBondContact O-N 3.13Å; F247-A250 PolarHBondContact O-N 3.39Å; F247-S251 WeakPolarHBondContact O-CB 3.26Å; F247-S251 PolarHBondContact O-N 2.88Å; F247-Y284 HydrophobicContact CE1-CD2 4.45Å |
| 248 | F | 94.5 | Very high | 93.8 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.6 | -31.6 | -179.9 | -72.1 | -59.4 | 0 | 0 | 0 | 113.9 | Y39 V244 Y245 S251 L252 F281 Y284 M285 | Y39-F248 HydrophobicContact CD2-CB 4.3Å; Y39-F248 HydrophobicContact CE2-CB 4.04Å; Y39-F248 HydrophobicContact CE2-CD1 4.05Å; Y39-F248 HydrophobicContact CE2-CG 4.45Å; V244-F248 HydrophobicContact CG1-CD2 3.86Å; V244-F248 HydrophobicContact CG1-CE2 3.8Å; V244-F248 VanDerWaalsContact O-CD2 3.23Å; V244-F248 WeakPolarHBondContact O-CD2 3.21Å; V244-F248 PolarHBondContact O-N 3.43Å; Y245-F248 PolarHBondContact O-N 3.32Å; F248-S251 WeakPolarHBondContact CA-OG 3.4Å; F248-S251 PolarHBondContact O-N 3Å; F248-S251 PolarHBondContact O-OG 3.44Å; F248-S251 VanDerWaalsContact O-OG 3.12Å; F248-L252 PolarHBondContact O-N 2.95Å; F248-L252 VanDerWaalsContact O-N 3.09Å; F248-F281 AromaticContact CD1-CD2 3.84Å; F248-F281 HydrophobicContact CD1-CD2 3.84Å; F248-F281 HydrophobicContact CD2-CD2 4.29Å; F248-F281 HydrophobicContact CD2-CE2 4.48Å; F248-F281 HydrophobicContact CE1-CB 4.04Å; F248-F281 AromaticContact CE1-CD2 3.85Å; F248-F281 HydrophobicContact CE1-CD2 3.85Å; F248-F281 HydrophobicContact CE1-CG 4.38Å; F248-F281 HydrophobicContact CE2-CD2 4.29Å; F248-F281 HydrophobicContact CG-CD2 4.1Å; F248-F281 HydrophobicContact CG-CE2 4.41Å; F248-F281 HydrophobicContact CZ-CB 4.27Å; F248-F281 HydrophobicContact CZ-CD2 4.1Å; F248-F281 HydrophobicContact CZ-CG 4.49Å; F248-Y284 HydrophobicContact CZ-CD2 4.42Å; F248-M285 HydrophobicContact CE2-CB 4.28Å |
| 249 | A | 93 | Very high | 93.4 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 53% | 0.529 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y245 G246 | Y245-A249 VanDerWaalsContact O-CB 3.24Å; Y245-A249 WeakPolarHBondContact O-CB 3.2Å; Y245-A249 PolarHBondContact O-N 3.02Å; G246-A249 PolarHBondContact O-N 3Å |
| 250 | A | 92.7 | Very high | 93.2 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L73 G246 F247 L252 M253 A254 | L73-A250 HydrophobicContact CD2-CB 3.6Å; L73-A250 HydrophobicContact CG-CB 4.42Å; G246-A250 WeakPolarHBondContact O-CB 3.42Å; G246-A250 PolarHBondContact O-N 3.1Å; F247-A250 PolarHBondContact O-N 3.39Å; A250-L252 VanDerWaalsContact C-N 3.32Å; A250-L252 PolarHBondContact O-N 3.01Å; A250-M253 PolarHBondContact O-N 3.05Å; A250-A254 VanDerWaalsContact O-CB 3.29Å; A250-A254 WeakPolarHBondContact O-CB 3.22Å; A250-A254 PolarHBondContact O-N 3.49Å |
| 251 | S | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.6 | -22.9 | -179.6 | 78.9 | 0 | 0 | 0 | 0 | 114.4 | Y39 F247 F248 M253 R255 | Y39-S251 PolarHBondContact OH-OG 3.32Å; F247-S251 WeakPolarHBondContact O-CB 3.26Å; F247-S251 PolarHBondContact O-N 2.88Å; F248-S251 WeakPolarHBondContact CA-OG 3.4Å; F248-S251 PolarHBondContact O-N 3Å; F248-S251 PolarHBondContact O-OG 3.44Å; F248-S251 VanDerWaalsContact O-OG 3.12Å; S251-M253 PolarHBondContact O-N 3.31Å; S251-R255 WeakPolarHBondContact O-CB 3.38Å; S251-R255 PolarHBondContact O-N 3.1Å |
| 252 | L | 94.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 41 Ų | 41 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -31.2 | 170.2 | -77.8 | 173.9 | 0 | 0 | 0 | 112.8 | Y39 L42 L46 F248 A250 Q256 | Y39-L252 HydrophobicContact CD2-CD2 3.78Å; Y39-L252 HydrophobicContact CD2-CG 4.09Å; Y39-L252 HydrophobicContact CE1-CD2 4.38Å; Y39-L252 HydrophobicContact CE2-CD2 3.58Å; Y39-L252 HydrophobicContact CE2-CG 3.7Å; Y39-L252 HydrophobicContact CG-CD2 4.26Å; L42-L252 HydrophobicContact CB-CD1 4.09Å; L42-L252 HydrophobicContact CB-CD2 3.88Å; L42-L252 HydrophobicContact CD1-CD1 4.03Å; L46-L252 HydrophobicContact CD1-CB 4.04Å; L46-L252 WeakPolarHBondContact CD1-O 3.25Å; F248-L252 PolarHBondContact O-N 2.95Å; F248-L252 VanDerWaalsContact O-N 3.09Å; A250-L252 VanDerWaalsContact C-N 3.32Å; A250-L252 PolarHBondContact O-N 3.01Å; L252-Q256 WeakPolarHBondContact O-CG 3.31Å; L252-Q256 PolarHBondContact O-NE2 3.41Å |
| 253 | M | 93.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 16% | 0.163 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -94.4 | -52.8 | 175.8 | -173.7 | 58.6 | 64.1 | 0 | 0 | 111 | L46 F62 L65 S66 C69 A250 S251 R255 Q256 | L46-M253 HydrophobicContact CD2-CE 4.38Å; F62-M253 HydrophobicContact CD2-CE 4.37Å; F62-M253 HydrophobicContact CD2-SD 4.06Å; F62-M253 HydrophobicContact CE1-SD 4.29Å; F62-M253 HydrophobicContact CE2-CE 3.86Å; F62-M253 HydrophobicContact CE2-SD 3.67Å; F62-M253 HydrophobicContact CZ-CE 4.43Å; F62-M253 HydrophobicContact CZ-SD 3.81Å; L65-M253 HydrophobicContact CD2-CE 4.02Å; L65-M253 HydrophobicContact CD2-CG 4.27Å; L65-M253 HydrophobicContact CD2-SD 4.11Å; L65-M253 HydrophobicContact CG-CG 4Å; L65-M253 HydrophobicContact CG-SD 4.28Å; S66-M253 PolarHBondContact OG-O 3.09Å; S66-M253 VanDerWaalsContact OG-O 3.09Å; C69-M253 HydrophobicContact CB-CB 4.34Å; C69-M253 HydrophobicContact CB-CG 4.35Å; A250-M253 PolarHBondContact O-N 3.05Å; S251-M253 PolarHBondContact O-N 3.31Å; M253-R255 PolarHBondContact O-N 3.48Å; M253-R255 VanDerWaalsContact O-N 3.09Å; M253-Q256 WeakPolarHBondContact O-CG 3.42Å; M253-Q256 PolarHBondContact O-N 3.42Å |
| 254 | A | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -15.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | C69 E70 L73 A250 | C69-A254 HydrophobicContact CB-CB 3.72Å; E70-A254 HydrophobicContact CB-CB 3.97Å; E70-A254 VanDerWaalsContact N-CB 3.29Å; L73-A254 HydrophobicContact CD1-CB 3.7Å; L73-A254 HydrophobicContact CG-CB 4.22Å; A250-A254 VanDerWaalsContact O-CB 3.29Å; A250-A254 WeakPolarHBondContact O-CB 3.22Å; A250-A254 PolarHBondContact O-N 3.49Å |
| 255 | R | 92.2 | Very high | 90.9 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 14.1 | -175.5 | -58.9 | -66 | -172.1 | 69.1 | 3.6 | 113 | Y43 S251 M253 T277 | Y43-R255 WeakPolarHBondContact CE2-O 3.46Å; Y43-R255 PolarHBondContact OH-O 2.91Å; Y43-R255 VanDerWaalsContact OH-O 3.13Å; S251-R255 WeakPolarHBondContact O-CB 3.38Å; S251-R255 PolarHBondContact O-N 3.1Å; M253-R255 PolarHBondContact O-N 3.48Å; M253-R255 VanDerWaalsContact O-N 3.09Å; R255-T277 HydrophobicContact CB-CG2 4.31Å; R255-T277 HydrophobicContact CG-CG2 4.14Å; R255-T277 PolarHBondContact NH1-OG1 2.85Å |
| 256 | Q | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -69.8 | 133 | 173.9 | -68.3 | -69.1 | -21 | 0 | 0 | 110 | Y43 L46 F62 L252 M253 L258 | Y43-Q256 VanDerWaalsContact CD2-NE2 3.27Å; Y43-Q256 HydrophobicContact CE2-CG 4.34Å; Y43-Q256 PolarHBondContact O-NE2 2.89Å; Y43-Q256 VanDerWaalsContact O-NE2 3.14Å; L46-Q256 VanDerWaalsContact CB-NE2 3.34Å; F62-Q256 HydrophobicContact CE1-CB 4Å; F62-Q256 HydrophobicContact CE1-CG 4.16Å; F62-Q256 HydrophobicContact CZ-CB 4.33Å; F62-Q256 HydrophobicContact CZ-CG 3.96Å; L252-Q256 WeakPolarHBondContact O-CG 3.31Å; L252-Q256 PolarHBondContact O-NE2 3.41Å; M253-Q256 WeakPolarHBondContact O-CG 3.42Å; M253-Q256 PolarHBondContact O-N 3.42Å; Q256-L258 PolarHBondContact O-N 3.24Å; Q256-L258 VanDerWaalsContact O-N 3.1Å | ||
| 257 | Y | 92.4 | Very high | 90 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | trans | -67.8 | 109.6 | 173.1 | -71.4 | -64 | 0 | 0 | 0 | 110.3 | V269 D270 L271 P274 | Y257-V269 WeakPolarHBondContact CD1-O 3.28Å; Y257-V269 VanDerWaalsContact CE1-O 3.25Å; Y257-V269 WeakPolarHBondContact CE1-O 3.28Å; Y257-D270 WeakPolarHBondContact CB-OD1 3.24Å; Y257-D270 WeakPolarHBondContact CD2-OD1 3.35Å; Y257-D270 HydrophobicContact CG-CB 4.39Å; Y257-D270 VanDerWaalsContact CG-OD1 3.31Å; Y257-L271 HydrophobicContact CE2-CB 3.95Å; Y257-P274 HydrophobicContact CE2-CB 4.36Å | ||
| 258 | L | 91.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | trans | -79.8 | 168.4 | 176.1 | -54.4 | -175.3 | 0 | 0 | 0 | 111 | F62 E63 L67 Q256 P260 Y264 H267 | F62-L258 HydrophobicContact CD1-CD2 4.39Å; F62-L258 HydrophobicContact CE1-CD2 4.47Å; E63-L258 HydrophobicContact CB-CD1 4.23Å; E63-L258 HydrophobicContact CB-CD2 4.45Å; E63-L258 HydrophobicContact CG-CB 4.33Å; E63-L258 HydrophobicContact CG-CD1 4.19Å; E63-L258 HydrophobicContact CG-CD2 3.9Å; E63-L258 HydrophobicContact CG-CG 4.36Å; L67-L258 HydrophobicContact CD2-CD1 4.26Å; L67-L258 HydrophobicContact CG-CD1 4.12Å; Q256-L258 PolarHBondContact O-N 3.24Å; Q256-L258 VanDerWaalsContact O-N 3.1Å; L258-P260 VanDerWaalsContact O-CD 3.27Å; L258-P260 WeakPolarHBondContact O-CD 3.32Å; L258-Y264 HydrophobicContact CB-CD2 4.27Å; L258-Y264 HydrophobicContact CD1-CD2 3.99Å; L258-Y264 HydrophobicContact CD1-CE2 4.36Å; L258-H267 HydrophobicContact CB-CB 4.32Å | ||
| 259 | D | 88.5 | Confident | 89.2 | Confident | 35 Ų | 35 | 55 Ų | 55 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | trans | -59.5 | 115.6 | 179.5 | -153.2 | -47.6 | 0 | 0 | 0 | 112.2 | Y50 R59 D261 K262 | Y50-D259 PolarHBondContact OH-N 3.17Å; R59-D259 IonicContact CZ-OD2 3.59Å; R59-D259 IonicContact NH1-OD2 3.37Å; R59-D259 PolarHBondContact NH1-OD2 2.87Å; R59-D259 IonicContact NH2-OD2 2.77Å; R59-D259 PolarHBondContact NH2-OD2 3.48Å; D259-D261 PolarHBondContact O-N 3.19Å; D259-D261 PolarHBondContact OD1-N 3.04Å; D259-K262 HydrophobicContact CB-CB 4.46Å; D259-K262 HydrophobicContact CB-CG 3.88Å; D259-K262 WeakPolarHBondContact O-CB 3.26Å; D259-K262 PolarHBondContact O-N 3.28Å; D259-K262 VanDerWaalsContact O-N 3.15Å | ||
| 260 | P | 88.8 | Confident | 89 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -61.1 | -31.4 | -179.8 | -24.7 | 36 | 0 | 0 | 0 | 113.1 | L258 K262 H263 D270 | L258-P260 VanDerWaalsContact O-CD 3.27Å; L258-P260 WeakPolarHBondContact O-CD 3.32Å; P260-K262 PolarHBondContact O-N 2.86Å; P260-H263 PolarHBondContact O-N 3.4Å; P260-D270 HydrophobicContact CG-CB 4.22Å |
| 261 | D | 86.5 | Confident | 88.8 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 74% | 0.738 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -66.6 | -19.8 | -179 | -70.7 | -15.8 | 0 | 0 | 0 | 112.2 | D259 H263 | D259-D261 PolarHBondContact O-N 3.19Å; D259-D261 PolarHBondContact OD1-N 3.04Å; D261-H263 VanDerWaalsContact C-N 3.3Å; D261-H263 PolarHBondContact O-N 3.21Å; D261-H263 PolarHBondContact O-ND1 2.98Å |
| 262 | K | 86.4 | Confident | 88.5 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -74.7 | -14.6 | 173.1 | -68.7 | -84.1 | -165.3 | 160.2 | 0 | 113.7 | E60 E63 D259 P260 Y264 | E60-K262 IonicContact OE2-NZ 2.84Å; E60-K262 PolarHBondContact OE2-NZ 3.04Å; E63-K262 WeakPolarHBondContact OE2-CE 3.37Å; E63-K262 IonicContact OE2-NZ 3.45Å; D259-K262 HydrophobicContact CB-CB 4.46Å; D259-K262 HydrophobicContact CB-CG 3.88Å; D259-K262 WeakPolarHBondContact O-CB 3.26Å; D259-K262 PolarHBondContact O-N 3.28Å; D259-K262 VanDerWaalsContact O-N 3.15Å; P260-K262 PolarHBondContact O-N 2.86Å; K262-Y264 VanDerWaalsContact C-N 3.26Å; K262-Y264 HydrophobicContact CB-CD2 3.6Å; K262-Y264 HydrophobicContact CB-CE2 3.35Å; K262-Y264 HydrophobicContact CB-CG 4.35Å; K262-Y264 HydrophobicContact CD-CE2 4.24Å; K262-Y264 HydrophobicContact CG-CD2 4.44Å; K262-Y264 HydrophobicContact CG-CE2 3.74Å; K262-Y264 PolarHBondContact O-N 3.39Å |
| 263 | H | 85.4 | Confident | 88.3 | Confident | 143 Ų | 143 | 64.6 Ų | 64.6 | 66% | 0.662 | 35% | 0.349 | S | S | * | . | trans | 53.9 | 33.8 | 177.8 | -64.9 | 72.6 | 0 | 0 | 0 | 114.9 | P260 D261 | P260-H263 PolarHBondContact O-N 3.4Å; D261-H263 VanDerWaalsContact C-N 3.3Å; D261-H263 PolarHBondContact O-N 3.21Å; D261-H263 PolarHBondContact O-ND1 2.98Å | ||
| 264 | Y | 86.3 | Confident | 88.2 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | trans | -63 | 141.6 | 175.3 | -63.2 | -66.9 | 0 | 0 | 0 | 111.1 | E63 L67 L258 K262 G266 H267 | E63-Y264 HydrophobicContact CB-CE2 3.84Å; E63-Y264 HydrophobicContact CG-CE2 3.77Å; E63-Y264 VanDerWaalsContact OE2-CE2 3.3Å; E63-Y264 WeakPolarHBondContact OE2-CE2 3.4Å; E63-Y264 PolarHBondContact OE2-OH 2.89Å; L67-Y264 HydrophobicContact CD1-CD1 3.74Å; L67-Y264 HydrophobicContact CD1-CE1 4.04Å; L67-Y264 HydrophobicContact CD1-CG 4.11Å; L258-Y264 HydrophobicContact CB-CD2 4.27Å; L258-Y264 HydrophobicContact CD1-CD2 3.99Å; L258-Y264 HydrophobicContact CD1-CE2 4.36Å; K262-Y264 VanDerWaalsContact C-N 3.26Å; K262-Y264 HydrophobicContact CB-CD2 3.6Å; K262-Y264 HydrophobicContact CB-CE2 3.35Å; K262-Y264 HydrophobicContact CB-CG 4.35Å; K262-Y264 HydrophobicContact CD-CE2 4.24Å; K262-Y264 HydrophobicContact CG-CD2 4.44Å; K262-Y264 HydrophobicContact CG-CE2 3.74Å; K262-Y264 PolarHBondContact O-N 3.39Å; Y264-G266 PolarHBondContact O-N 3.44Å; Y264-H267 PolarHBondContact O-N 3.26Å | ||
| 265 | P | 83.7 | Confident | 88.2 | Confident | 110 Ų | 110 | 67.5 Ų | 67.5 | 71% | 0.714 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 135.1 | 175.1 | -27.7 | 35.7 | 0 | 0 | 0 | 112.3 | H267 | P265-H267 PolarHBondContact O-N 2.97Å; P265-H267 VanDerWaalsContact O-N 3.13Å; P265-H267 PolarHBondContact O-ND1 3.3Å |
| 266 | G | 80.9 | Confident | 88.2 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 77% | 0.773 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -23.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y264 I268 | Y264-G266 PolarHBondContact O-N 3.44Å; G266-I268 PolarHBondContact O-N 3.14Å |
| 267 | H | 86.2 | Confident | 88.1 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 8% | 0.083 | 39% | 0.387 | C | S | . | . | trans | -106.2 | 46.1 | -168.4 | -63.4 | 77.3 | 0 | 0 | 0 | 112.8 | E70 L258 Y264 P265 | E70-H267 IonicContact OE2-CE1 2.68Å; E70-H267 PolarHBondContact OE2-CE1 2.84Å; L258-H267 HydrophobicContact CB-CB 4.32Å; Y264-H267 PolarHBondContact O-N 3.26Å; P265-H267 PolarHBondContact O-N 2.97Å; P265-H267 VanDerWaalsContact O-N 3.13Å; P265-H267 PolarHBondContact O-ND1 3.3Å | ||
| 268 | I | 84.5 | Confident | 88.2 | Confident | 119 Ų | 119 | 72.7 Ų | 72.7 | 61% | 0.61 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -88.6 | -15.6 | -175 | -50 | 173.6 | 0 | 0 | 0 | 111.9 | G266 | G266-I268 PolarHBondContact O-N 3.14Š|
| 269 | V | 87.5 | Confident | 88.3 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | trans | -133.3 | 126.5 | -174.5 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | Y257 L271 | Y257-V269 WeakPolarHBondContact CD1-O 3.28Å; Y257-V269 VanDerWaalsContact CE1-O 3.25Å; Y257-V269 WeakPolarHBondContact CE1-O 3.28Å; V269-L271 HydrophobicContact CG1-CD2 3.72Å; V269-L271 HydrophobicContact CG1-CG 4.13Å | ||
| 270 | D | 88.4 | Confident | 88.5 | Confident | 56 Ų | 56 | 79 Ų | 79 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | trans | -97.1 | 115.6 | 169.1 | 179.3 | 15 | 0 | 0 | 0 | 110 | R51 Y257 P260 Y272 | R51-D270 IonicContact CZ-OD1 3.54Å; R51-D270 IonicContact CZ-OD2 2.71Å; R51-D270 VanDerWaalsContact CZ-OD2 3.24Å; R51-D270 IonicContact NH1-OD2 2.67Å; R51-D270 PolarHBondContact NH1-OD2 2.63Å; R51-D270 IonicContact NH2-OD1 2.85Å; R51-D270 PolarHBondContact NH2-OD1 2.92Å; R51-D270 IonicContact NH2-OD2 3.13Å; R51-D270 PolarHBondContact NH2-OD2 3.44Å; Y257-D270 WeakPolarHBondContact CB-OD1 3.24Å; Y257-D270 WeakPolarHBondContact CD2-OD1 3.35Å; Y257-D270 HydrophobicContact CG-CB 4.39Å; Y257-D270 VanDerWaalsContact CG-OD1 3.31Å; P260-D270 HydrophobicContact CG-CB 4.22Å; D270-Y272 WeakPolarHBondContact OD1-CA 3.48Å; D270-Y272 PolarHBondContact OD1-N 2.95Å | ||
| 271 | L | 89.3 | Confident | 88.8 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | trans | -99.5 | 0.4 | 174.2 | -59.7 | -179.4 | 0 | 0 | 0 | 112.8 | Y257 V269 V273 | Y257-L271 HydrophobicContact CE2-CB 3.95Å; V269-L271 HydrophobicContact CG1-CD2 3.72Å; V269-L271 HydrophobicContact CG1-CG 4.13Å; L271-V273 PolarHBondContact O-N 3.43Å | ||
| 272 | Y | 87.3 | Confident | 89.1 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 62.7 | -48.8 | -169.9 | -148.3 | -95.8 | 0 | 0 | 0 | 114.6 | D270 | D270-Y272 WeakPolarHBondContact OD1-CA 3.48Å; D270-Y272 PolarHBondContact OD1-N 2.95Å |
| 273 | V | 90.2 | Very high | 89.4 | Confident | 72 Ų | 72 | 74 Ų | 74 | 44% | 0.436 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -101.8 | 126 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | L271 I275 I278 | L271-V273 PolarHBondContact O-N 3.43Å; V273-I275 VanDerWaalsContact C-N 3.31Å; V273-I275 HydrophobicContact CG1-CG1 4.46Å; V273-I275 PolarHBondContact O-N 2.93Å; V273-I278 HydrophobicContact CG1-CD1 3.72Å |
| 274 | P | 90.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | trans | -86.4 | 66 | -169.6 | 37.1 | -38.7 | 0 | 0 | 0 | 111.6 | Y43 Y257 F276 T277 I278 | Y43-P274 HydrophobicContact CD1-CG 3.95Å; Y43-P274 HydrophobicContact CD2-CG 4.13Å; Y43-P274 HydrophobicContact CE1-CB 4.34Å; Y43-P274 VanDerWaalsContact CE1-CD 3.48Å; Y43-P274 HydrophobicContact CE1-CG 3.65Å; Y43-P274 HydrophobicContact CE2-CB 4.09Å; Y43-P274 HydrophobicContact CE2-CG 3.81Å; Y43-P274 HydrophobicContact CG-CG 4.21Å; Y257-P274 HydrophobicContact CE2-CB 4.36Å; P274-F276 VanDerWaalsContact C-N 3.32Å; P274-F276 PolarHBondContact O-N 2.91Å; P274-F276 VanDerWaalsContact O-N 3.14Å; P274-T277 WeakPolarHBondContact O-CA 3.46Å; P274-T277 WeakPolarHBondContact O-CB 3.32Å; P274-T277 PolarHBondContact O-N 2.81Å; P274-I278 HydrophobicContact CG-CG1 4.45Å; P274-I278 PolarHBondContact O-N 3.14Å | ||
| 275 | I | 92.9 | Very high | 90.2 | Very high | 89 Ų | 89 | 67.4 Ų | 67.4 | 46% | 0.456 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -47.3 | -48 | -169.1 | -60.8 | 171.7 | 0 | 0 | 0 | 113.1 | V273 T277 I278 L279 | V273-I275 VanDerWaalsContact C-N 3.31Å; V273-I275 HydrophobicContact CG1-CG1 4.46Å; V273-I275 PolarHBondContact O-N 2.93Å; I275-T277 VanDerWaalsContact C-N 3.35Å; I275-T277 PolarHBondContact O-N 3.12Å; I275-I278 WeakPolarHBondContact O-CB 3.49Å; I275-I278 PolarHBondContact O-N 3.42Å; I275-L279 PolarHBondContact O-N 3.26Å |
| 276 | F | 91.5 | Very high | 90.7 | Very high | 145 Ų | 145 | 62.2 Ų | 62.2 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.6 | -29.4 | 180 | -66 | -73.6 | 0 | 0 | 0 | 113.6 | P274 L279 Q280 | P274-F276 VanDerWaalsContact C-N 3.32Å; P274-F276 PolarHBondContact O-N 2.91Å; P274-F276 VanDerWaalsContact O-N 3.14Å; F276-L279 HydrophobicContact CD1-CD1 4.31Å; F276-L279 PolarHBondContact O-N 3.32Å; F276-Q280 WeakPolarHBondContact O-CG 3.15Å; F276-Q280 PolarHBondContact O-N 2.81Å |
| 277 | T | 92.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.8 | -32.6 | 172 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | Y39 R255 P274 I275 Q280 F281 | Y39-T277 HydrophobicContact CE1-CG2 4.35Å; Y39-T277 WeakPolarHBondContact OH-CG2 3.45Å; R255-T277 HydrophobicContact CB-CG2 4.31Å; R255-T277 HydrophobicContact CG-CG2 4.14Å; R255-T277 PolarHBondContact NH1-OG1 2.85Å; P274-T277 WeakPolarHBondContact O-CA 3.46Å; P274-T277 WeakPolarHBondContact O-CB 3.32Å; P274-T277 PolarHBondContact O-N 2.81Å; I275-T277 VanDerWaalsContact C-N 3.35Å; I275-T277 PolarHBondContact O-N 3.12Å; T277-Q280 PolarHBondContact O-N 3.5Å; T277-F281 WeakPolarHBondContact O-CB 3.11Å; T277-F281 PolarHBondContact O-N 3.42Å |
| 278 | I | 93.9 | Very high | 91.8 | Very high | 50 Ų | 50 | 61 Ų | 61 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 171.8 | -59.4 | 170.5 | 0 | 0 | 0 | 110.5 | L40 V273 P274 I275 F281 V282 | L40-I278 HydrophobicContact CD2-CD1 3.75Å; L40-I278 HydrophobicContact CD2-CG1 3.95Å; V273-I278 HydrophobicContact CG1-CD1 3.72Å; P274-I278 HydrophobicContact CG-CG1 4.45Å; P274-I278 PolarHBondContact O-N 3.14Å; I275-I278 WeakPolarHBondContact O-CB 3.49Å; I275-I278 PolarHBondContact O-N 3.42Å; I278-F281 WeakPolarHBondContact O-CB 3.47Å; I278-F281 PolarHBondContact O-N 3.06Å; I278-V282 WeakPolarHBondContact O-CG2 3.3Å; I278-V282 PolarHBondContact O-N 3.12Å |
| 279 | L | 93.6 | Very high | 92.3 | Very high | 105 Ų | 105 | 56.4 Ų | 56.4 | 55% | 0.55 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 173.7 | -67.5 | 174 | 0 | 0 | 0 | 112.3 | I275 F276 F281 V282 F283 | I275-L279 PolarHBondContact O-N 3.26Å; F276-L279 HydrophobicContact CD1-CD1 4.31Å; F276-L279 PolarHBondContact O-N 3.32Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-V282 PolarHBondContact O-N 3.4Å; L279-F283 WeakPolarHBondContact O-CB 3.09Å; L279-F283 PolarHBondContact O-N 2.74Å |
| 280 | Q | 92.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 172.2 | -74.6 | 177.3 | -2.1 | 0 | 0 | 112.5 | F276 T277 F283 Y284 | F276-Q280 WeakPolarHBondContact O-CG 3.15Å; F276-Q280 PolarHBondContact O-N 2.81Å; T277-Q280 PolarHBondContact O-N 3.5Å; Q280-F283 PolarHBondContact O-N 3.35Å; Q280-Y284 HydrophobicContact CB-CD2 4.43Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.48Å; Q280-Y284 PolarHBondContact O-N 3.46Å |
| 281 | F | 94.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -53.2 | 172.1 | -170.9 | -86 | 0 | 0 | 0 | 111 | M32 E35 A36 Y39 F248 T277 I278 L279 F283 M285 | M32-F281 HydrophobicContact SD-CD1 4.22Å; M32-F281 HydrophobicContact SD-CE1 4.25Å; E35-F281 HydrophobicContact CB-CZ 3.95Å; A36-F281 HydrophobicContact CB-CD1 4.38Å; A36-F281 HydrophobicContact CB-CE1 3.84Å; Y39-F281 HydrophobicContact CD1-CD2 4.3Å; Y39-F281 HydrophobicContact CD2-CD2 4.1Å; Y39-F281 HydrophobicContact CD2-CE2 4.04Å; Y39-F281 AromaticContact CG-CD2 3.96Å; Y39-F281 HydrophobicContact CG-CD2 3.96Å; Y39-F281 AromaticContact CG-CE2 3.91Å; Y39-F281 HydrophobicContact CG-CE2 3.91Å; F248-F281 AromaticContact CD1-CD2 3.84Å; F248-F281 HydrophobicContact CD1-CD2 3.84Å; F248-F281 HydrophobicContact CD2-CD2 4.29Å; F248-F281 HydrophobicContact CD2-CE2 4.48Å; F248-F281 HydrophobicContact CE1-CB 4.04Å; F248-F281 AromaticContact CE1-CD2 3.85Å; F248-F281 HydrophobicContact CE1-CD2 3.85Å; F248-F281 HydrophobicContact CE1-CG 4.38Å; F248-F281 HydrophobicContact CE2-CD2 4.29Å; F248-F281 HydrophobicContact CG-CD2 4.1Å; F248-F281 HydrophobicContact CG-CE2 4.41Å; F248-F281 HydrophobicContact CZ-CB 4.27Å; F248-F281 HydrophobicContact CZ-CD2 4.1Å; F248-F281 HydrophobicContact CZ-CG 4.49Å; T277-F281 WeakPolarHBondContact O-CB 3.11Å; T277-F281 PolarHBondContact O-N 3.42Å; I278-F281 WeakPolarHBondContact O-CB 3.47Å; I278-F281 PolarHBondContact O-N 3.06Å; L279-F281 VanDerWaalsContact C-N 3.33Å; F281-F283 PolarHBondContact O-N 2.85Å; F281-M285 HydrophobicContact CD1-CB 4.12Å; F281-M285 HydrophobicContact CD2-CB 4.47Å; F281-M285 HydrophobicContact CE1-CB 3.94Å; F281-M285 HydrophobicContact CE1-CG 3.91Å; F281-M285 HydrophobicContact CE2-CB 4.32Å; F281-M285 HydrophobicContact CE2-CG 4.32Å; F281-M285 HydrophobicContact CG-CB 4.38Å; F281-M285 HydrophobicContact CZ-CB 4.05Å; F281-M285 HydrophobicContact CZ-CG 3.77Å; F281-M285 HydrophobicContact CZ-SD 4.43Å; F281-M285 WeakPolarHBondContact O-CA 3.25Å; F281-M285 WeakPolarHBondContact O-CB 3.24Å; F281-M285 PolarHBondContact O-N 3Å |
| 282 | V | 93.5 | Very high | 93 | Very high | 45 Ų | 45 | 51 Ų | 51 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.9 | -40.7 | 176.2 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | I28 M32 I278 L279 G286 | I28-V282 HydrophobicContact CD1-CG1 4.07Å; I28-V282 HydrophobicContact CG1-CG1 4.48Å; M32-V282 HydrophobicContact CE-CG1 4.49Å; M32-V282 HydrophobicContact SD-CB 4.3Å; M32-V282 HydrophobicContact SD-CG1 4.45Å; M32-V282 HydrophobicContact SD-CG2 3.96Å; I278-V282 WeakPolarHBondContact O-CG2 3.3Å; I278-V282 PolarHBondContact O-N 3.12Å; L279-V282 PolarHBondContact O-N 3.4Å; V282-G286 VanDerWaalsContact O-CA 3.28Å; V282-G286 WeakPolarHBondContact O-CA 3.38Å; V282-G286 PolarHBondContact O-N 2.86Å; V282-G286 VanDerWaalsContact O-N 3.13Å |
| 283 | F | 93.1 | Very high | 93.2 | Very high | 112 Ų | 112 | 47.3 Ų | 47.3 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.8 | -63.3 | 177.9 | -175 | -108.6 | 0 | 0 | 0 | 113.2 | L279 Q280 F281 W287 | L279-F283 WeakPolarHBondContact O-CB 3.09Å; L279-F283 PolarHBondContact O-N 2.74Å; Q280-F283 PolarHBondContact O-N 3.35Å; F281-F283 PolarHBondContact O-N 2.85Å; F283-W287 HydrophobicContact CE1-CE3 4.19Å; F283-W287 HydrophobicContact CE1-CZ3 4.36Å; F283-W287 HydrophobicContact CZ-CE3 4.1Å; F283-W287 HydrophobicContact CZ-CZ3 4.23Å; F283-W287 VanDerWaalsContact O-CB 3.26Å; F283-W287 WeakPolarHBondContact O-CB 3.43Å; F283-W287 PolarHBondContact O-N 3Å |
| 284 | Y | 94.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -77.1 | -39.8 | -171.9 | -64.1 | -65.9 | 0 | 0 | 0 | 113.5 | L78 L82 F247 F248 Q280 G286 W287 L288 | L78-Y284 HydrophobicContact CB-CD1 3.86Å; L78-Y284 HydrophobicContact CB-CE1 3.76Å; L78-Y284 HydrophobicContact CD1-CD1 3.86Å; L78-Y284 HydrophobicContact CD1-CD2 3.82Å; L78-Y284 HydrophobicContact CD1-CE1 4.17Å; L78-Y284 HydrophobicContact CD1-CE2 4.14Å; L78-Y284 HydrophobicContact CD1-CG 3.67Å; L82-Y284 HydrophobicContact CD1-CD1 3.89Å; F247-Y284 HydrophobicContact CE1-CD2 4.45Å; F248-Y284 HydrophobicContact CZ-CD2 4.42Å; Q280-Y284 HydrophobicContact CB-CD2 4.43Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.48Å; Q280-Y284 PolarHBondContact O-N 3.46Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; Y284-W287 PolarHBondContact O-N 2.93Å; Y284-L288 PolarHBondContact O-N 2.76Å |
| 285 | M | 94.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 174.8 | -167.5 | 73.1 | -165.8 | 0 | 0 | 110.3 | E35 V244 Y245 F248 F281 L288 K289 | E35-M285 HydrophobicContact CB-CE 4.18Å; E35-M285 HydrophobicContact CG-CE 3.88Å; V244-M285 HydrophobicContact CG1-SD 4.3Å; Y245-M285 HydrophobicContact CD1-SD 4.49Å; Y245-M285 HydrophobicContact CE1-CE 3.72Å; Y245-M285 HydrophobicContact CE1-SD 3.93Å; F248-M285 HydrophobicContact CE2-CB 4.28Å; F281-M285 HydrophobicContact CD1-CB 4.12Å; F281-M285 HydrophobicContact CD2-CB 4.47Å; F281-M285 HydrophobicContact CE1-CB 3.94Å; F281-M285 HydrophobicContact CE1-CG 3.91Å; F281-M285 HydrophobicContact CE2-CB 4.32Å; F281-M285 HydrophobicContact CE2-CG 4.32Å; F281-M285 HydrophobicContact CG-CB 4.38Å; F281-M285 HydrophobicContact CZ-CB 4.05Å; F281-M285 HydrophobicContact CZ-CG 3.77Å; F281-M285 HydrophobicContact CZ-SD 4.43Å; F281-M285 WeakPolarHBondContact O-CA 3.25Å; F281-M285 WeakPolarHBondContact O-CB 3.24Å; F281-M285 PolarHBondContact O-N 3Å; M285-L288 PolarHBondContact O-N 3.12Å; M285-L288 HydrophobicContact SD-CD2 4.46Å; M285-K289 WeakPolarHBondContact O-CB 3.22Å; M285-K289 VanDerWaalsContact O-CG 3.32Å; M285-K289 WeakPolarHBondContact O-CG 3.5Å; M285-K289 PolarHBondContact O-N 2.94Å |
| 286 | G | 93.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V282 Y284 K289 V290 | V282-G286 VanDerWaalsContact O-CA 3.28Å; V282-G286 WeakPolarHBondContact O-CA 3.38Å; V282-G286 PolarHBondContact O-N 2.86Å; V282-G286 VanDerWaalsContact O-N 3.13Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; G286-K289 WeakPolarHBondContact O-CB 3.38Å; G286-K289 PolarHBondContact O-N 3.3Å; G286-K289 VanDerWaalsContact O-N 3.17Å; G286-V290 WeakPolarHBondContact O-CG2 3.37Å; G286-V290 PolarHBondContact O-N 2.99Å |
| 287 | W | 94.8 | Very high | 93.6 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 25% | 0.254 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.9 | -34.2 | 176.7 | -163.1 | 14.7 | 0 | 0 | 0 | 112.3 | T79 L82 V86 F283 Y284 | T79-W287 HydrophobicContact CG2-CH2 4.22Å; T79-W287 HydrophobicContact CG2-CZ3 4.03Å; L82-W287 HydrophobicContact CB-CD2 3.99Å; L82-W287 HydrophobicContact CB-CE3 3.78Å; L82-W287 HydrophobicContact CB-CH2 4.38Å; L82-W287 HydrophobicContact CB-CZ3 3.99Å; L82-W287 HydrophobicContact CD1-CD2 4.47Å; L82-W287 HydrophobicContact CD1-CE3 3.95Å; L82-W287 HydrophobicContact CG-CE3 4.5Å; V86-W287 HydrophobicContact CG2-CG 4.31Å; V86-W287 WeakPolarHBondContact CG2-O 3.03Å; F283-W287 HydrophobicContact CE1-CE3 4.19Å; F283-W287 HydrophobicContact CE1-CZ3 4.36Å; F283-W287 HydrophobicContact CZ-CE3 4.1Å; F283-W287 HydrophobicContact CZ-CZ3 4.23Å; F283-W287 VanDerWaalsContact O-CB 3.26Å; F283-W287 WeakPolarHBondContact O-CB 3.43Å; F283-W287 PolarHBondContact O-N 3Å; Y284-W287 PolarHBondContact O-N 2.93Å |
| 288 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 166.3 | 177.4 | 59.4 | 0 | 0 | 0 | 111.3 | L82 V240 V244 Y245 Y284 M285 V290 A291 E292 | L82-L288 HydrophobicContact CD2-CB 3.98Å; L82-L288 HydrophobicContact CD2-CD1 4.33Å; V240-L288 HydrophobicContact CG1-CD1 4.09Å; V244-L288 HydrophobicContact CB-CD2 4Å; V244-L288 HydrophobicContact CG1-CD2 3.89Å; V244-L288 HydrophobicContact CG2-CD2 4.21Å; Y245-L288 HydrophobicContact CE1-CD2 3.99Å; Y284-L288 PolarHBondContact O-N 2.76Å; M285-L288 PolarHBondContact O-N 3.12Å; M285-L288 HydrophobicContact SD-CD2 4.46Å; L288-V290 VanDerWaalsContact C-N 3.27Å; L288-V290 PolarHBondContact O-N 2.8Å; L288-A291 WeakPolarHBondContact O-CA 3.47Å; L288-A291 PolarHBondContact O-N 2.9Å; L288-E292 HydrophobicContact CD1-CG 4.42Å; L288-E292 HydrophobicContact CG-CG 4.38Å; L288-E292 WeakPolarHBondContact CG-OE1 3.17Å; L288-E292 PolarHBondContact O-N 3.21Å |
| 289 | K | 94.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -33.8 | 178.5 | -75.9 | -68 | 176.3 | -164.9 | 0 | 113.6 | L31 E35 M285 G286 A291 E292 S293 | L31-K289 HydrophobicContact CB-CB 4.08Å; L31-K289 HydrophobicContact CB-CD 4.27Å; L31-K289 HydrophobicContact CB-CG 4.21Å; L31-K289 HydrophobicContact CD1-CB 4.35Å; L31-K289 WeakPolarHBondContact O-CD 3.41Å; L31-K289 WeakPolarHBondContact O-CE 3.37Å; E35-K289 WeakPolarHBondContact OE1-CE 3.41Å; E35-K289 IonicContact OE1-NZ 2.86Å; E35-K289 PolarHBondContact OE1-NZ 3.06Å; M285-K289 WeakPolarHBondContact O-CB 3.22Å; M285-K289 VanDerWaalsContact O-CG 3.32Å; M285-K289 WeakPolarHBondContact O-CG 3.5Å; M285-K289 PolarHBondContact O-N 2.94Å; G286-K289 WeakPolarHBondContact O-CB 3.38Å; G286-K289 PolarHBondContact O-N 3.3Å; G286-K289 VanDerWaalsContact O-N 3.17Å; K289-A291 VanDerWaalsContact C-N 3.3Å; K289-A291 PolarHBondContact O-N 3.15Å; K289-E292 WeakPolarHBondContact CD-OE2 3.11Å; K289-E292 WeakPolarHBondContact CE-OE2 3.4Å; K289-E292 IonicContact NZ-OE2 3.84Å; K289-E292 PolarHBondContact NZ-OE2 2.92Å; K289-E292 PolarHBondContact O-N 3.17Å; K289-S293 PolarHBondContact O-N 2.89Å; K289-S293 PolarHBondContact O-OG 2.9Å |
| 290 | V | 92.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 35% | 0.345 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.3 | -35.4 | 172.2 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | V86 G286 L288 S293 L294 | V86-V290 HydrophobicContact CG1-CG1 4.29Å; G286-V290 WeakPolarHBondContact O-CG2 3.37Å; G286-V290 PolarHBondContact O-N 2.99Å; L288-V290 VanDerWaalsContact C-N 3.27Å; L288-V290 PolarHBondContact O-N 2.8Å; V290-S293 PolarHBondContact O-OG 2.87Å; V290-L294 HydrophobicContact CG1-CD1 3.87Å; V290-L294 WeakPolarHBondContact O-CB 3.44Å; V290-L294 VanDerWaalsContact O-CD1 3.31Å; V290-L294 WeakPolarHBondContact O-CD1 3.14Å; V290-L294 WeakPolarHBondContact O-CG 3.41Å; V290-L294 PolarHBondContact O-N 2.57Å |
| 291 | A | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.9 | -36.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y85 V86 V89 L288 K289 S293 L294 I295 | Y85-A291 HydrophobicContact CD1-CB 3.72Å; Y85-A291 HydrophobicContact CE1-CB 3.44Å; Y85-A291 VanDerWaalsContact CE1-CB 3.44Å; V86-A291 HydrophobicContact CG2-CB 3.86Å; V89-A291 HydrophobicContact CB-CB 4.48Å; V89-A291 HydrophobicContact CG1-CB 4.49Å; V89-A291 HydrophobicContact CG2-CB 4.35Å; L288-A291 WeakPolarHBondContact O-CA 3.47Å; L288-A291 PolarHBondContact O-N 2.9Å; K289-A291 VanDerWaalsContact C-N 3.3Å; K289-A291 PolarHBondContact O-N 3.15Å; A291-S293 VanDerWaalsContact C-N 3.34Å; A291-S293 PolarHBondContact O-N 3.41Å; A291-L294 PolarHBondContact O-N 3.19Å; A291-I295 WeakPolarHBondContact O-CB 3.34Å; A291-I295 PolarHBondContact O-N 2.85Å; A291-I295 VanDerWaalsContact O-N 3.1Å |
| 292 | E | 92.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.7 | -69 | -179.3 | -170.4 | 0 | 0 | 112.2 | L288 K289 I295 | L288-E292 HydrophobicContact CD1-CG 4.42Å; L288-E292 HydrophobicContact CG-CG 4.38Å; L288-E292 WeakPolarHBondContact CG-OE1 3.17Å; L288-E292 PolarHBondContact O-N 3.21Å; K289-E292 WeakPolarHBondContact CD-OE2 3.11Å; K289-E292 WeakPolarHBondContact CE-OE2 3.4Å; K289-E292 IonicContact NZ-OE2 3.84Å; K289-E292 PolarHBondContact NZ-OE2 2.92Å; K289-E292 PolarHBondContact O-N 3.17Å; E292-I295 WeakPolarHBondContact O-CG2 3.11Å |
| 293 | S | 91.7 | Very high | 93 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.6 | 178.3 | 67.5 | 0 | 0 | 0 | 0 | 114.8 | K289 V290 A291 | K289-S293 PolarHBondContact O-N 2.89Å; K289-S293 PolarHBondContact O-OG 2.9Å; V290-S293 PolarHBondContact O-OG 2.87Å; A291-S293 VanDerWaalsContact C-N 3.34Å; A291-S293 PolarHBondContact O-N 3.41Å |
| 294 | L | 93.5 | Very high | 93 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -4.4 | -178.9 | -62.3 | 176.8 | 0 | 0 | 0 | 113.1 | V89 V90 W93 V290 A291 N296 | V89-L294 HydrophobicContact CG1-CB 3.7Å; V90-L294 HydrophobicContact CG2-CD1 3.96Å; W93-L294 HydrophobicContact CB-CB 4.49Å; W93-L294 HydrophobicContact CD2-CD2 4.38Å; W93-L294 HydrophobicContact CG-CB 4.41Å; W93-L294 HydrophobicContact CG-CD2 4.16Å; V290-L294 HydrophobicContact CG1-CD1 3.87Å; V290-L294 WeakPolarHBondContact O-CB 3.44Å; V290-L294 VanDerWaalsContact O-CD1 3.31Å; V290-L294 WeakPolarHBondContact O-CD1 3.14Å; V290-L294 WeakPolarHBondContact O-CG 3.41Å; V290-L294 PolarHBondContact O-N 2.57Å; A291-L294 PolarHBondContact O-N 3.19Å; L294-N296 VanDerWaalsContact C-N 3.35Å; L294-N296 PolarHBondContact O-N 3.13Å |
| 295 | I | 93.5 | Very high | 93 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 28% | 0.277 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -69.9 | -29.8 | -178.4 | -160.7 | 173.1 | 0 | 0 | 0 | 113.2 | V232 A291 E292 | V232-I295 HydrophobicContact CB-CD1 4.34Å; V232-I295 HydrophobicContact CG2-CG1 4.33Å; A291-I295 WeakPolarHBondContact O-CB 3.34Å; A291-I295 PolarHBondContact O-N 2.85Å; A291-I295 VanDerWaalsContact O-N 3.1Å; E292-I295 WeakPolarHBondContact O-CG2 3.11Å |
| 296 | N | 92.7 | Very high | 92.8 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | trans | -139.3 | 84.5 | 172.9 | -178.4 | 5.6 | 0 | 0 | 0 | 110.5 | L294 L298 G299 | L294-N296 VanDerWaalsContact C-N 3.35Å; L294-N296 PolarHBondContact O-N 3.13Å; N296-L298 PolarHBondContact O-N 2.92Å; N296-L298 PolarHBondContact OD1-N 3.1Å; N296-G299 PolarHBondContact O-N 3.48Å | ||
| 297 | P | 94 | Very high | 92.8 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 15.8 | -176.8 | 33.4 | -36.9 | 0 | 0 | 0 | 114.6 | V96 D304 F305 | V96-P297 HydrophobicContact CB-CG 4.47Å; V96-P297 HydrophobicContact CG1-CG 4.14Å; P297-D304 WeakPolarHBondContact CA-OD1 3.02Å; P297-F305 HydrophobicContact CB-CD2 3.87Å; P297-F305 HydrophobicContact CB-CE1 4.33Å; P297-F305 HydrophobicContact CB-CE2 3.59Å; P297-F305 HydrophobicContact CB-CG 4.35Å; P297-F305 HydrophobicContact CB-CZ 3.82Å; P297-F305 HydrophobicContact CG-CD2 4.07Å; P297-F305 HydrophobicContact CG-CE2 3.51Å; P297-F305 HydrophobicContact CG-CZ 4Å; P297-F305 WeakPolarHBondContact O-CD2 3.33Å; P297-F305 PolarHBondContact O-N 2.93Å |
| 298 | L | 92.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 14.4 | 177.2 | -51.3 | -179.7 | 0 | 0 | 0 | 111.5 | V96 I143 S144 N296 F305 I307 | V96-L298 HydrophobicContact CG1-CD1 4.33Å; V96-L298 HydrophobicContact CG1-CD2 4.08Å; V96-L298 HydrophobicContact CG1-CG 4.29Å; I143-L298 HydrophobicContact CB-CD1 4.49Å; I143-L298 HydrophobicContact CD1-CD1 3.53Å; I143-L298 HydrophobicContact CG1-CD1 3.75Å; S144-L298 WeakPolarHBondContact CA-O 3.48Å; S144-L298 VanDerWaalsContact CB-O 3.29Å; S144-L298 WeakPolarHBondContact CB-O 3.27Å; S144-L298 PolarHBondContact OG-O 2.97Å; N296-L298 PolarHBondContact O-N 2.92Å; N296-L298 PolarHBondContact OD1-N 3.1Å; L298-F305 HydrophobicContact CD2-CD2 4.02Å; L298-I307 HydrophobicContact CD2-CD1 3.7Å; L298-I307 HydrophobicContact CD2-CG1 3.95Å |
| 299 | G | 90 | Very high | 92.6 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -81.1 | -126.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S145 A146 N296 D304 | S145-G299 WeakPolarHBondContact OG-CA 3.45Å; A146-G299 WeakPolarHBondContact CB-O 3.4Å; N296-G299 PolarHBondContact O-N 3.48Å; G299-D304 WeakPolarHBondContact CA-OD2 3.34Å; G299-D304 PolarHBondContact N-OD2 3.25Å |
| 300 | E | 91 | Very high | 92.6 | Very high | 111 Ų | 111 | 43.2 Ų | 43.2 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -148.9 | 10.6 | -175.3 | -64 | -176.4 | 162.2 | 0 | 0 | 113.1 | A146 K149 D304 | A146-E300 HydrophobicContact CB-CG 4.1Å; K149-E300 VanDerWaalsContact CD-OE1 3.25Å; K149-E300 WeakPolarHBondContact CD-OE1 3.18Å; K149-E300 WeakPolarHBondContact CE-OE1 3.35Å; K149-E300 IonicContact NZ-OE1 3.81Å; K149-E300 PolarHBondContact NZ-OE1 2.95Å; K149-E300 IonicContact NZ-OE2 3.05Å; K149-E300 PolarHBondContact NZ-OE2 3.23Å; E300-D304 PolarHBondContact N-OD2 3.41Å |
| 301 | D | 91.4 | Very high | 92.6 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -75.1 | 161.9 | 176.8 | -96.1 | -29.7 | 0 | 0 | 0 | 111.8 | D303 D304 | D301-D303 PolarHBondContact O-N 3.08Å; D301-D304 PolarHBondContact N-OD2 3.48Å; D301-D304 WeakPolarHBondContact O-CB 3.37Å; D301-D304 PolarHBondContact O-N 3.45Å; D301-D304 VanDerWaalsContact O-N 3.12Å |
| 302 | D | 91.1 | Very high | 92.6 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27.4 | -170.5 | -92.5 | -7 | 0 | 0 | 0 | 115.9 | V3 K25 G26 K30 | V3-D302 HydrophobicContact CG2-CB 4.29Å; V3-D302 WeakPolarHBondContact CG2-O 3.13Å; K25-D302 WeakPolarHBondContact CA-OD2 3.47Å; K25-D302 WeakPolarHBondContact CE-O 3.46Å; K25-D302 WeakPolarHBondContact CE-OD1 3.47Å; K25-D302 HydrophobicContact CG-CB 3.92Å; K25-D302 WeakPolarHBondContact CG-OD2 3.49Å; K25-D302 PolarHBondContact NZ-O 2.94Å; G26-D302 PolarHBondContact N-OD2 2.87Å; K30-D302 WeakPolarHBondContact CD-OD2 3.48Å; K30-D302 WeakPolarHBondContact CE-OD2 3.48Å; K30-D302 IonicContact NZ-OD1 2.9Å; K30-D302 PolarHBondContact NZ-OD1 2.76Å; K30-D302 IonicContact NZ-OD2 2.86Å; K30-D302 PolarHBondContact NZ-OD2 2.88Å |
| 303 | D | 90.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.16 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 6.5 | -173.7 | -151.5 | 9.6 | 0 | 0 | 0 | 113.1 | M1 T2 V3 D301 | M1-D303 VanDerWaalsContact CA-OD1 3.25Å; M1-D303 WeakPolarHBondContact CA-OD1 3.42Å; M1-D303 WeakPolarHBondContact CE-OD2 3.42Å; T2-D303 PolarHBondContact N-OD1 3.3Å; V3-D303 HydrophobicContact CB-CB 4.49Å; V3-D303 HydrophobicContact CG2-CB 3.9Å; V3-D303 PolarHBondContact N-OD1 2.93Å; D301-D303 PolarHBondContact O-N 3.08Å |
| 304 | D | 93.2 | Very high | 93 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -61.6 | 156.8 | 166.6 | -77 | -17.3 | 0 | 0 | 0 | 109.9 | T2 P297 G299 E300 D301 E306 | T2-D304 WeakPolarHBondContact CB-O 3.49Å; T2-D304 PolarHBondContact OG1-O 3.01Å; P297-D304 WeakPolarHBondContact CA-OD1 3.02Å; G299-D304 WeakPolarHBondContact CA-OD2 3.34Å; G299-D304 PolarHBondContact N-OD2 3.25Å; E300-D304 PolarHBondContact N-OD2 3.41Å; D301-D304 PolarHBondContact N-OD2 3.48Å; D301-D304 WeakPolarHBondContact O-CB 3.37Å; D301-D304 PolarHBondContact O-N 3.45Å; D301-D304 VanDerWaalsContact O-N 3.12Å; D304-E306 PolarHBondContact O-N 3.21Å |
| 305 | F | 93.9 | Very high | 93 | Very high | 14 Ų | 14 | 44 Ų | 44 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | trans | -66.4 | 135.4 | -177.7 | -56.1 | -35 | 0 | 0 | 0 | 111.1 | W93 V96 F97 I100 P297 L298 I307 | W93-F305 AromaticContact CD1-CZ 3.76Å; W93-F305 HydrophobicContact CD2-CZ 4.3Å; W93-F305 AromaticContact CE2-CE1 3.73Å; W93-F305 AromaticContact CE2-CZ 3.74Å; W93-F305 HydrophobicContact CG-CZ 4.3Å; W93-F305 AromaticContact CZ2-CE1 3.91Å; W93-F305 HydrophobicContact CZ2-CE1 3.91Å; W93-F305 HydrophobicContact CZ2-CZ 4.31Å; W93-F305 AromaticContact NE1-CE1 3.41Å; W93-F305 AromaticContact NE1-CZ 3.33Å; W93-F305 VanDerWaalsContact NE1-CZ 3.33Å; V96-F305 HydrophobicContact CG1-CE2 4.14Å; F97-F305 HydrophobicContact CB-CE1 4.31Å; F97-F305 HydrophobicContact CB-CE2 3.84Å; F97-F305 HydrophobicContact CB-CZ 3.63Å; F97-F305 HydrophobicContact CD2-CD1 4.06Å; F97-F305 HydrophobicContact CD2-CD2 4.4Å; F97-F305 AromaticContact CD2-CE1 3.9Å; F97-F305 HydrophobicContact CD2-CE1 3.9Å; F97-F305 HydrophobicContact CD2-CE2 4.24Å; F97-F305 HydrophobicContact CD2-CG 4.33Å; F97-F305 HydrophobicContact CD2-CZ 4.01Å; F97-F305 HydrophobicContact CG-CE1 4.46Å; F97-F305 HydrophobicContact CG-CZ 4.24Å; I100-F305 HydrophobicContact CD1-CD2 3.95Å; I100-F305 HydrophobicContact CD1-CG 4.47Å; P297-F305 HydrophobicContact CB-CD2 3.87Å; P297-F305 HydrophobicContact CB-CE1 4.33Å; P297-F305 HydrophobicContact CB-CE2 3.59Å; P297-F305 HydrophobicContact CB-CG 4.35Å; P297-F305 HydrophobicContact CB-CZ 3.82Å; P297-F305 HydrophobicContact CG-CD2 4.07Å; P297-F305 HydrophobicContact CG-CE2 3.51Å; P297-F305 HydrophobicContact CG-CZ 4Å; P297-F305 WeakPolarHBondContact O-CD2 3.33Å; P297-F305 PolarHBondContact O-N 2.93Å; L298-F305 HydrophobicContact CD2-CD2 4.02Å; F305-I307 HydrophobicContact CB-CD1 3.57Å; F305-I307 HydrophobicContact CB-CG1 4.16Å; F305-I307 WeakPolarHBondContact O-CG1 3.31Å; F305-I307 PolarHBondContact O-N 3.15Å | ||
| 306 | E | 92 | Very high | 93 | Very high | 99 Ų | 99 | 47.6 Ų | 47.6 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | trans | -73.1 | 61.9 | 177.8 | -64.3 | -78.1 | -169.9 | 0 | 0 | 111.1 | T2 D304 N308 Y309 I310 | T2-E306 HydrophobicContact CG2-CG 3.49Å; T2-E306 VanDerWaalsContact CG2-CG 3.49Å; T2-E306 VanDerWaalsContact CG2-OE1 3.29Å; T2-E306 WeakPolarHBondContact CG2-OE1 3.38Å; D304-E306 PolarHBondContact O-N 3.21Å; E306-N308 VanDerWaalsContact C-N 3.25Å; E306-N308 PolarHBondContact O-N 2.98Å; E306-Y309 WeakPolarHBondContact O-CB 3.34Å; E306-Y309 PolarHBondContact O-N 3.04Å; E306-I310 PolarHBondContact O-N 2.69Å; E306-I310 VanDerWaalsContact O-N 3.12Å | ||
| 307 | I | 93.8 | Very high | 93 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -36.7 | -171.9 | -58.5 | -54 | 0 | 0 | 0 | 111.8 | I100 L140 V147 L298 F305 Y309 I310 V311 | I100-I307 HydrophobicContact CD1-CD1 3.78Å; L140-I307 HydrophobicContact CB-CG2 4.18Å; L140-I307 HydrophobicContact CD1-CG2 3.66Å; L140-I307 HydrophobicContact CD2-CG2 3.84Å; L140-I307 HydrophobicContact CG-CG2 4.1Å; V147-I307 HydrophobicContact CG2-CB 4.03Å; V147-I307 HydrophobicContact CG2-CG2 3.41Å; V147-I307 VanDerWaalsContact CG2-CG2 3.41Å; L298-I307 HydrophobicContact CD2-CD1 3.7Å; L298-I307 HydrophobicContact CD2-CG1 3.95Å; F305-I307 HydrophobicContact CB-CD1 3.57Å; F305-I307 HydrophobicContact CB-CG1 4.16Å; F305-I307 WeakPolarHBondContact O-CG1 3.31Å; F305-I307 PolarHBondContact O-N 3.15Å; I307-Y309 VanDerWaalsContact C-N 3.33Å; I307-Y309 PolarHBondContact O-N 2.85Å; I307-I310 HydrophobicContact CD1-CD1 4.3Å; I307-I310 PolarHBondContact O-N 2.71Å; I307-V311 HydrophobicContact CG2-CG2 4.45Å; I307-V311 WeakPolarHBondContact O-CG2 3.26Å; I307-V311 PolarHBondContact O-N 2.88Å |
| 308 | N | 92.5 | Very high | 93 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 176.7 | -87.4 | -51.2 | 0 | 0 | 0 | 112.9 | A146 R150 E306 E312 | A146-N308 PolarHBondContact O-ND2 2.98Å; R150-N308 WeakPolarHBondContact CD-OD1 3.46Å; R150-N308 PolarHBondContact NH1-O 3.4Å; R150-N308 PolarHBondContact NH1-OD1 2.92Å; E306-N308 VanDerWaalsContact C-N 3.25Å; E306-N308 PolarHBondContact O-N 2.98Å; N308-E312 WeakPolarHBondContact O-CG 3.32Å; N308-E312 PolarHBondContact O-N 3.41Å |
| 309 | Y | 93.8 | Very high | 93.1 | Very high | 142 Ų | 142 | 46.6 Ų | 46.6 | 56% | 0.557 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.5 | -41.8 | 172.3 | 162.4 | -98.8 | 0 | 0 | 0 | 111.3 | E306 I307 V311 E312 R313 | E306-Y309 WeakPolarHBondContact O-CB 3.34Å; E306-Y309 PolarHBondContact O-N 3.04Å; I307-Y309 VanDerWaalsContact C-N 3.33Å; I307-Y309 PolarHBondContact O-N 2.85Å; Y309-V311 VanDerWaalsContact C-N 3.35Å; Y309-V311 PolarHBondContact O-N 2.94Å; Y309-E312 PolarHBondContact O-N 2.91Å; Y309-R313 HydrophobicContact CE1-CB 4.42Å; Y309-R313 HydrophobicContact CE2-CB 4.23Å; Y309-R313 WeakPolarHBondContact O-CB 3.5Å; Y309-R313 PolarHBondContact O-N 2.81Å |
| 310 | I | 94.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 178.8 | -64.4 | 169.8 | 0 | 0 | 0 | 111 | I100 E306 I307 R313 N314 | I100-I310 HydrophobicContact CD1-CD1 4.26Å; I100-I310 HydrophobicContact CG2-CD1 4.34Å; I100-I310 HydrophobicContact CG2-CG2 3.99Å; E306-I310 PolarHBondContact O-N 2.69Å; E306-I310 VanDerWaalsContact O-N 3.12Å; I307-I310 HydrophobicContact CD1-CD1 4.3Å; I307-I310 PolarHBondContact O-N 2.71Å; I310-R313 PolarHBondContact O-N 2.86Å; I310-N314 WeakPolarHBondContact O-CB 3.36Å; I310-N314 PolarHBondContact O-N 2.85Å |
| 311 | V | 93.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 176.5 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | L140 F151 F162 I307 Y309 L315 | L140-V311 HydrophobicContact CD1-CG2 3.64Å; F151-V311 HydrophobicContact CE2-CG1 4.44Å; F162-V311 HydrophobicContact CE1-CG1 4.03Å; F162-V311 HydrophobicContact CZ-CG1 3.57Å; I307-V311 HydrophobicContact CG2-CG2 4.45Å; I307-V311 WeakPolarHBondContact O-CG2 3.26Å; I307-V311 PolarHBondContact O-N 2.88Å; Y309-V311 VanDerWaalsContact C-N 3.35Å; Y309-V311 PolarHBondContact O-N 2.94Å; V311-L315 WeakPolarHBondContact O-CB 3.31Å; V311-L315 PolarHBondContact O-N 2.98Å |
| 312 | E | 93.8 | Very high | 93.3 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.8 | -49.4 | 176.3 | -74.9 | 169.3 | -162.6 | 0 | 0 | 112.3 | R150 N308 Y309 N314 L315 Q316 | R150-E312 IonicContact CZ-OE1 2.71Å; R150-E312 IonicContact NH1-OE1 3.9Å; R150-E312 PolarHBondContact NH1-OE1 3.31Å; R150-E312 IonicContact NH2-OE1 3.24Å; R150-E312 PolarHBondContact NH2-OE1 2.67Å; N308-E312 WeakPolarHBondContact O-CG 3.32Å; N308-E312 PolarHBondContact O-N 3.41Å; Y309-E312 PolarHBondContact O-N 2.91Å; E312-N314 VanDerWaalsContact C-N 3.33Å; E312-N314 PolarHBondContact O-N 2.72Å; E312-L315 PolarHBondContact O-N 2.87Å; E312-Q316 WeakPolarHBondContact O-CB 3.21Å; E312-Q316 PolarHBondContact O-N 3.06Å |
| 313 | R | 95.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | -178.9 | 177.3 | -92.1 | 169.4 | -144.4 | -5.6 | 111.4 | D104 Y309 I310 Q316 A317 | D104-R313 VanDerWaalsContact CG-NH1 3.31Å; D104-R313 IonicContact OD1-CZ 3.75Å; D104-R313 IonicContact OD1-NH1 3.98Å; D104-R313 PolarHBondContact OD1-NH1 2.86Å; D104-R313 IonicContact OD1-NH2 3.06Å; D104-R313 IonicContact OD2-CZ 2.91Å; D104-R313 IonicContact OD2-NH1 3.77Å; D104-R313 PolarHBondContact OD2-NH1 3.03Å; D104-R313 VanDerWaalsContact OD2-NH1 3.08Å; D104-R313 IonicContact OD2-NH2 3.78Å; D104-R313 PolarHBondContact OD2-NH2 3.07Å; Y309-R313 HydrophobicContact CE1-CB 4.42Å; Y309-R313 HydrophobicContact CE2-CB 4.23Å; Y309-R313 WeakPolarHBondContact O-CB 3.5Å; Y309-R313 PolarHBondContact O-N 2.81Å; I310-R313 PolarHBondContact O-N 2.86Å; R313-Q316 PolarHBondContact O-N 2.86Å; R313-A317 WeakPolarHBondContact O-CB 3.5Å; R313-A317 PolarHBondContact O-N 2.73Å |
| 314 | N | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.9 | -32.4 | 179.5 | -73.6 | -2.7 | 0 | 0 | 0 | 112.5 | G101 P103 N133 Q136 I310 E312 G318 | G101-N314 PolarHBondContact O-ND2 2.92Å; P103-N314 VanDerWaalsContact CD-CG 3.49Å; P103-N314 WeakPolarHBondContact CD-ND2 3.5Å; P103-N314 HydrophobicContact CG-CB 3.89Å; N133-N314 PolarHBondContact ND2-O 2.71Å; N133-N314 VanDerWaalsContact ND2-O 3.15Å; N133-N314 VanDerWaalsContact OD1-C 3.29Å; N133-N314 WeakPolarHBondContact OD1-CB 3.38Å; Q136-N314 PolarHBondContact OE1-ND2 2.8Å; I310-N314 WeakPolarHBondContact O-CB 3.36Å; I310-N314 PolarHBondContact O-N 2.85Å; E312-N314 VanDerWaalsContact C-N 3.33Å; E312-N314 PolarHBondContact O-N 2.72Å; N314-G318 WeakPolarHBondContact O-CA 3.43Å; N314-G318 PolarHBondContact O-N 3.21Å |
| 315 | L | 93.4 | Very high | 92.8 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71 | -46.4 | 172.5 | -170.5 | 69.3 | 0 | 0 | 0 | 111.4 | N133 F162 V311 E312 G318 Y319 | N133-L315 HydrophobicContact CB-CD1 4.11Å; N133-L315 PolarHBondContact OD1-N 3.03Å; F162-L315 HydrophobicContact CD1-CD1 4.34Å; F162-L315 HydrophobicContact CE1-CB 4.46Å; F162-L315 HydrophobicContact CE1-CD1 4.09Å; F162-L315 HydrophobicContact CE1-CD2 3.96Å; F162-L315 HydrophobicContact CE1-CG 4.4Å; F162-L315 HydrophobicContact CE2-CD2 4.39Å; F162-L315 HydrophobicContact CZ-CD2 3.84Å; V311-L315 WeakPolarHBondContact O-CB 3.31Å; V311-L315 PolarHBondContact O-N 2.98Å; E312-L315 PolarHBondContact O-N 2.87Å; L315-G318 PolarHBondContact O-N 3.43Å; L315-Y319 HydrophobicContact CD1-CD2 4.45Å; L315-Y319 HydrophobicContact CD1-CE1 4.43Å; L315-Y319 HydrophobicContact CD1-CE2 3.67Å; L315-Y319 HydrophobicContact CD2-CE2 4.25Å; L315-Y319 HydrophobicContact CG-CD2 4.2Å; L315-Y319 HydrophobicContact CG-CE2 3.69Å; L315-Y319 WeakPolarHBondContact O-CD2 3.47Å; L315-Y319 PolarHBondContact O-N 3.11Å |
| 316 | Q | 93.9 | Very high | 92.6 | Very high | 129 Ų | 129 | 49.8 Ų | 49.8 | 60% | 0.603 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.9 | -51.1 | -178.9 | -171.7 | -178.9 | 9.3 | 0 | 0 | 112 | E312 R313 G318 Y319 L320 | E312-Q316 WeakPolarHBondContact O-CB 3.21Å; E312-Q316 PolarHBondContact O-N 3.06Å; R313-Q316 PolarHBondContact O-N 2.86Å; Q316-G318 VanDerWaalsContact C-N 3.29Å; Q316-G318 PolarHBondContact O-N 3.49Å; Q316-Y319 PolarHBondContact O-N 3.43Å; Q316-L320 HydrophobicContact CG-CD1 4.04Å; Q316-L320 WeakPolarHBondContact O-CG 3.4Å; Q316-L320 PolarHBondContact O-N 3.45Å |
| 317 | A | 93.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R313 Y319 L320 I321 | R313-A317 WeakPolarHBondContact O-CB 3.5Å; R313-A317 PolarHBondContact O-N 2.73Å; A317-Y319 VanDerWaalsContact C-N 3.33Å; A317-Y319 PolarHBondContact O-N 2.73Å; A317-L320 PolarHBondContact O-N 3.25Å; A317-I321 WeakPolarHBondContact O-CD1 3.34Å; A317-I321 VanDerWaalsContact O-CG1 3.3Å; A317-I321 WeakPolarHBondContact O-CG1 3.41Å; A317-I321 PolarHBondContact O-N 3Å |
| 318 | G | 92.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -50 | -50.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | V107 N314 L315 Q316 C322 | V107-G318 WeakPolarHBondContact CG1-O 3.5Å; N314-G318 WeakPolarHBondContact O-CA 3.43Å; N314-G318 PolarHBondContact O-N 3.21Å; L315-G318 PolarHBondContact O-N 3.43Å; Q316-G318 VanDerWaalsContact C-N 3.29Å; Q316-G318 PolarHBondContact O-N 3.49Å; G318-C322 WeakPolarHBondContact O-CB 3.31Å; G318-C322 PolarHBondContact O-N 3.46Å |
| 319 | Y | 94.3 | Very high | 91.7 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.3 | -39.6 | 177.9 | -66.2 | -31.5 | 0 | 0 | 0 | 113.7 | R126 R130 L315 Q316 A317 I321 D323 | R126-Y319 HydrophobicContact CB-CD1 4.38Å; R126-Y319 HydrophobicContact CB-CE1 4.28Å; R126-Y319 HydrophobicContact CG-CD1 4.28Å; R126-Y319 VanDerWaalsContact NH2-CD1 3.35Å; R130-Y319 HydrophobicContact CB-CE1 4.35Å; R130-Y319 WeakPolarHBondContact CD-OH 3.19Å; L315-Y319 HydrophobicContact CD1-CD2 4.45Å; L315-Y319 HydrophobicContact CD1-CE1 4.43Å; L315-Y319 HydrophobicContact CD1-CE2 3.67Å; L315-Y319 HydrophobicContact CD2-CE2 4.25Å; L315-Y319 HydrophobicContact CG-CD2 4.2Å; L315-Y319 HydrophobicContact CG-CE2 3.69Å; L315-Y319 WeakPolarHBondContact O-CD2 3.47Å; L315-Y319 PolarHBondContact O-N 3.11Å; Q316-Y319 PolarHBondContact O-N 3.43Å; A317-Y319 VanDerWaalsContact C-N 3.33Å; A317-Y319 PolarHBondContact O-N 2.73Å; Y319-I321 VanDerWaalsContact C-N 3.3Å; Y319-I321 PolarHBondContact O-N 3.2Å; Y319-D323 WeakPolarHBondContact O-CB 3.11Å; Y319-D323 PolarHBondContact O-N 3.32Å |
| 320 | L | 94.2 | Very high | 91.5 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -62.1 | -37.1 | 179.2 | -73.1 | 171.8 | 0 | 0 | 0 | 112.5 | Q316 A317 E324 N325 | Q316-L320 HydrophobicContact CG-CD1 4.04Å; Q316-L320 WeakPolarHBondContact O-CG 3.4Å; Q316-L320 PolarHBondContact O-N 3.45Å; A317-L320 PolarHBondContact O-N 3.25Å; L320-E324 HydrophobicContact CD2-CB 4.35Å; L320-E324 HydrophobicContact CD2-CG 4.41Å; L320-N325 WeakPolarHBondContact O-CB 3.31Å; L320-N325 PolarHBondContact O-N 3.2Å; L320-N325 PolarHBondContact O-ND2 3.06Å |
| 321 | I | 92.9 | Very high | 91.2 | Very high | 39 Ų | 39 | 63 Ų | 63 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -75.7 | -50.1 | 178.4 | -63.6 | 163.7 | 0 | 0 | 0 | 111.1 | V107 L108 A111 A317 Y319 D323 | V107-I321 HydrophobicContact CG1-CB 3.66Å; V107-I321 HydrophobicContact CG1-CD1 4.19Å; V107-I321 HydrophobicContact CG1-CG2 3.71Å; L108-I321 HydrophobicContact CD2-CD1 4.46Å; L108-I321 HydrophobicContact CD2-CG2 3.68Å; L108-I321 HydrophobicContact CG-CD1 4.44Å; L108-I321 HydrophobicContact CG-CG2 4.12Å; A111-I321 HydrophobicContact CB-CG2 4.01Å; A317-I321 WeakPolarHBondContact O-CD1 3.34Å; A317-I321 VanDerWaalsContact O-CG1 3.3Å; A317-I321 WeakPolarHBondContact O-CG1 3.41Å; A317-I321 PolarHBondContact O-N 3Å; Y319-I321 VanDerWaalsContact C-N 3.3Å; Y319-I321 PolarHBondContact O-N 3.2Å; I321-D323 VanDerWaalsContact C-N 3.34Å; I321-D323 PolarHBondContact O-N 3.3Å |
| 322 | C | 89.5 | Confident | 91.2 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -75.3 | -16.2 | -175 | -92.2 | 0 | 0 | 0 | 0 | 115.3 | V107 R125 G318 | V107-C322 HydrophobicContact CG1-CB 4.39Å; V107-C322 PolarHBondContact O-SG 3.1Å; R125-C322 HydrophobicContact CB-CB 3.88Å; R125-C322 PolarHBondContact NE-O 3.17Å; G318-C322 WeakPolarHBondContact O-CB 3.31Å; G318-C322 PolarHBondContact O-N 3.46Å |
| 323 | D | 89.6 | Confident | 91.1 | Very high | 22 Ų | 22 | 72.3 Ų | 72.3 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | I | π-helix | trans | -125.9 | -72.7 | -171.3 | -166.8 | 11.8 | 0 | 0 | 0 | 112.6 | R122 R126 Y319 I321 N325 Y326 | R122-D323 WeakPolarHBondContact CD-OD1 3.36Å; R122-D323 WeakPolarHBondContact CG-OD1 3.42Å; R122-D323 IonicContact CZ-OD1 3.79Å; R122-D323 IonicContact CZ-OD2 3.47Å; R122-D323 IonicContact NE-OD1 3.86Å; R122-D323 PolarHBondContact NE-OD1 3.4Å; R122-D323 IonicContact NE-OD2 3.39Å; R122-D323 PolarHBondContact NE-OD2 3.25Å; R122-D323 VanDerWaalsContact NE-OD2 3.07Å; R122-D323 IonicContact NH2-OD1 3.83Å; R122-D323 PolarHBondContact NH2-OD1 3.43Å; R122-D323 IonicContact NH2-OD2 2.64Å; R122-D323 PolarHBondContact NH2-OD2 3.1Å; R126-D323 WeakPolarHBondContact CD-OD2 3.3Å; R126-D323 HydrophobicContact CG-CB 4.15Å; R126-D323 IonicContact CZ-OD2 2.76Å; R126-D323 IonicContact NE-OD2 2.69Å; R126-D323 IonicContact NH1-OD2 3.84Å; R126-D323 PolarHBondContact NH1-OD2 3.15Å; Y319-D323 WeakPolarHBondContact O-CB 3.11Å; Y319-D323 PolarHBondContact O-N 3.32Å; I321-D323 VanDerWaalsContact C-N 3.34Å; I321-D323 PolarHBondContact O-N 3.3Å; D323-N325 VanDerWaalsContact C-N 3.35Å; D323-N325 PolarHBondContact O-N 2.97Å; D323-Y326 WeakPolarHBondContact O-CB 3.34Å; D323-Y326 PolarHBondContact O-N 3.17Å |
| 324 | E | 87.2 | Confident | 90.8 | Very high | 105 Ų | 105 | 75.2 Ų | 75.2 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -69.7 | -30.7 | -169.4 | -66.4 | -169.8 | -167.5 | 0 | 0 | 113.7 | L320 R328 | L320-E324 HydrophobicContact CD2-CB 4.35Å; L320-E324 HydrophobicContact CD2-CG 4.41Å; E324-R328 WeakPolarHBondContact O-CD 3.28Å; E324-R328 PolarHBondContact O-NE 2.73Å; E324-R328 PolarHBondContact O-NH1 2.96Å |
| 325 | N | 89 | Confident | 90.5 | Very high | 87 Ų | 87 | 79.5 Ų | 79.5 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 5.1 | 176.9 | -60.9 | -72.2 | 0 | 0 | 0 | 113.3 | L320 D323 G327 R328 | L320-N325 WeakPolarHBondContact O-CB 3.31Å; L320-N325 PolarHBondContact O-N 3.2Å; L320-N325 PolarHBondContact O-ND2 3.06Å; D323-N325 VanDerWaalsContact C-N 3.35Å; D323-N325 PolarHBondContact O-N 2.97Å; N325-G327 PolarHBondContact O-N 2.73Å; N325-G327 VanDerWaalsContact O-N 3.15Å; N325-R328 PolarHBondContact O-N 3.05Å |
| 326 | Y | 88.8 | Confident | 90.4 | Very high | 55 Ų | 55 | 85.5 Ų | 85.5 | 22% | 0.216 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 120.2 | 177.1 | 173 | -94.7 | 0 | 0 | 0 | 110.8 | A111 S116 A117 R125 D323 R328 | A111-Y326 WeakPolarHBondContact O-CD2 3.42Å; A111-Y326 VanDerWaalsContact O-CE2 3.25Å; A111-Y326 WeakPolarHBondContact O-CE2 3.21Å; S116-Y326 PolarHBondContact N-OH 2.75Å; S116-Y326 PolarHBondContact O-OH 2.94Å; A117-Y326 HydrophobicContact CB-CE1 4.14Å; R125-Y326 VanDerWaalsContact NH1-CE2 3.3Å; R125-Y326 VanDerWaalsContact NH2-CD1 3.35Å; R125-Y326 VanDerWaalsContact NH2-CG 3.32Å; D323-Y326 WeakPolarHBondContact O-CB 3.34Å; D323-Y326 PolarHBondContact O-N 3.17Å; Y326-R328 PolarHBondContact O-N 2.71Å |
| 327 | G | 83.8 | Confident | 90.2 | Very high | 72 Ų | 72 | 81.4 Ų | 81.4 | 74% | 0.742 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 7.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N325 | N325-G327 PolarHBondContact O-N 2.73Å; N325-G327 VanDerWaalsContact O-N 3.15Å |
| 328 | R | 86.5 | Confident | 89.9 | Confident | 175 Ų | 175 | 86.5 Ų | 86.5 | 66% | 0.66 | 44% | 0.438 | S | S | * | . | trans | -88.5 | 112.6 | 175.7 | -67.9 | -166.5 | -179.2 | 160.2 | 2.2 | 110.4 | E324 N325 Y326 | E324-R328 WeakPolarHBondContact O-CD 3.28Å; E324-R328 PolarHBondContact O-NE 2.73Å; E324-R328 PolarHBondContact O-NH1 2.96Å; N325-R328 PolarHBondContact O-N 3.05Å; Y326-R328 PolarHBondContact O-N 2.71Å | ||
| 329 | I | 88 | Confident | 89.7 | Confident | 124 Ų | 124 | 93 Ų | 93 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | trans | -116.1 | 150.4 | 166.7 | 58 | 173.8 | 0 | 0 | 0 | 109.3 | L501 | I329-L501 HydrophobicContact CD1-CD1 4.23Š| ||
| 330 | P | 90.2 | Very high | 89.3 | Confident | 96 Ų | 96 | 95 Ų | 95 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | trans | -64.2 | 160 | 166 | 30.3 | -35.3 | 0 | 0 | 0 | 110.4 | L332 | P330-L332 PolarHBondContact O-N 3.21Š| ||
| 331 | P | 89.4 | Confident | 88.5 | Confident | 107 Ų | 107 | 99.2 Ų | 99.2 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | trans | -53.5 | 138.3 | 165.5 | -22.2 | 33.8 | 0 | 0 | 0 | 110.5 | E333 | P331-E333 PolarHBondContact O-N 3.38Š| ||
| 332 | L | 91.6 | Very high | 87.7 | Confident | 123 Ų | 123 | 105.7 Ų | 105.7 | 64% | 0.644 | 54% | 0.544 | S | S | * | . | trans | -81.1 | 113.2 | 174 | -60.6 | -165.7 | 0 | 0 | 0 | 109.6 | P330 L501 | P330-L332 PolarHBondContact O-N 3.21Å; L332-L501 HydrophobicContact CB-CD2 4.16Å; L332-L501 HydrophobicContact CD1-CD1 3.69Å; L332-L501 HydrophobicContact CD1-CD2 4.18Å; L332-L501 HydrophobicContact CD1-CG 4.45Å; L332-L501 HydrophobicContact CG-CD1 3.98Å; L332-L501 HydrophobicContact CG-CD2 4.09Å | ||
| 333 | E | 91.7 | Very high | 87.3 | Confident | 170 Ų | 170 | 108.2 Ų | 108.2 | 79% | 0.794 | 56% | 0.564 | S | S | * | * | trans | -108.1 | 159.8 | 172.4 | -63.7 | -177.4 | -178 | 0 | 0 | 109.6 | P331 | P331-E333 PolarHBondContact O-N 3.38Š| ||
| 334 | R | 91.3 | Very high | 86.8 | Confident | 121 Ų | 121 | 114.1 Ų | 114.1 | 46% | 0.457 | 59% | 0.591 | S | S | . | * | trans | -72.3 | 134.2 | 168.1 | -68.5 | -179.6 | 176.7 | 164.9 | -0.5 | 108.2 | W338 I504 | R334-W338 HydrophobicContact CB-CB 4.11Å; R334-W338 HydrophobicContact CB-CD2 3.88Å; R334-W338 HydrophobicContact CB-CE3 4.02Å; R334-W338 HydrophobicContact CB-CG 3.91Å; R334-W338 HydrophobicContact CG-CD2 3.65Å; R334-W338 HydrophobicContact CG-CE3 3.92Å; R334-W338 HydrophobicContact CG-CG 3.99Å; R334-W338 HydrophobicContact CG-CZ2 4.35Å; R334-W338 HydrophobicContact CG-CZ3 4.37Å; R334-I504 PolarHBondContact NH2-O 3.28Å | ||
| 335 | D | 89.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 115.2 Ų | 115.2 | 49% | 0.487 | 60% | 0.599 | S | S | . | * | trans | -72.2 | 169 | 178.1 | 71 | 94.1 | 0 | 0 | 0 | 112.1 | H337 W338 | D335-H337 PolarHBondContact O-N 3.02Å; D335-H337 VanDerWaalsContact OD1-C 3.3Å; D335-H337 VanDerWaalsContact OD1-CA 3.29Å; D335-H337 WeakPolarHBondContact OD1-CA 3.08Å; D335-H337 WeakPolarHBondContact OD1-CB 3.16Å; D335-H337 PolarHBondContact OD1-N 3.27Å; D335-W338 WeakPolarHBondContact O-CB 3.28Å; D335-W338 PolarHBondContact O-N 3.22Å; D335-W338 PolarHBondContact OD1-N 2.98Å | ||
| 336 | I | 90.1 | Very high | 86.4 | Confident | 153 Ų | 153 | 116.3 Ų | 116.3 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.2 | -175.8 | 61.1 | 171.3 | 0 | 0 | 0 | 114.1 | ||
| 337 | H | 89.3 | Confident | 86.3 | Confident | 43 Ų | 43 | 117.6 Ų | 117.6 | 20% | 0.199 | 62% | 0.619 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -111.6 | 13.6 | -178.6 | -64.9 | -58.7 | 0 | 0 | 0 | 112.5 | D335 N339 D340 A343 | D335-H337 PolarHBondContact O-N 3.02Å; D335-H337 VanDerWaalsContact OD1-C 3.3Å; D335-H337 VanDerWaalsContact OD1-CA 3.29Å; D335-H337 WeakPolarHBondContact OD1-CA 3.08Å; D335-H337 WeakPolarHBondContact OD1-CB 3.16Å; D335-H337 PolarHBondContact OD1-N 3.27Å; H337-N339 PolarHBondContact O-N 3.43Å; H337-D340 HydrophobicContact CB-CB 4.16Å; H337-D340 IonicContact CE1-OD2 2.69Å; H337-D340 IonicContact CG-OD2 2.9Å; H337-D340 IonicContact ND1-OD2 3.75Å; H337-D340 PolarHBondContact ND1-OD2 3.15Å; H337-D340 PolarHBondContact O-N 3.4Å; H337-A343 HydrophobicContact CB-CB 3.85Å |
| 338 | W | 88.4 | Confident | 86.5 | Confident | 126 Ų | 126 | 118.5 Ų | 118.5 | 48% | 0.477 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.3 | -23.5 | -174.9 | -179 | -83.8 | 0 | 0 | 0 | 115.5 | R334 D335 | R334-W338 HydrophobicContact CB-CB 4.11Å; R334-W338 HydrophobicContact CB-CD2 3.88Å; R334-W338 HydrophobicContact CB-CE3 4.02Å; R334-W338 HydrophobicContact CB-CG 3.91Å; R334-W338 HydrophobicContact CG-CD2 3.65Å; R334-W338 HydrophobicContact CG-CE3 3.92Å; R334-W338 HydrophobicContact CG-CG 3.99Å; R334-W338 HydrophobicContact CG-CZ2 4.35Å; R334-W338 HydrophobicContact CG-CZ3 4.37Å; D335-W338 WeakPolarHBondContact O-CB 3.28Å; D335-W338 PolarHBondContact O-N 3.22Å; D335-W338 PolarHBondContact OD1-N 2.98Å |
| 339 | N | 88.8 | Confident | 86.5 | Confident | 141 Ų | 141 | 115 Ų | 115 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 1.7 | 176.7 | -52.7 | -70.8 | 0 | 0 | 0 | 113.8 | H337 | H337-N339 PolarHBondContact O-N 3.43Š|
| 340 | D | 84.5 | Confident | 86.2 | Confident | 84 Ų | 84 | 113.3 Ų | 113.3 | 45% | 0.449 | 62% | 0.623 | S | S | . | * | trans | -89.1 | 109.2 | -174.2 | -67.5 | -17.4 | 0 | 0 | 0 | 110.5 | H337 Q342 | H337-D340 HydrophobicContact CB-CB 4.16Å; H337-D340 IonicContact CE1-OD2 2.69Å; H337-D340 IonicContact CG-OD2 2.9Å; H337-D340 IonicContact ND1-OD2 3.75Å; H337-D340 PolarHBondContact ND1-OD2 3.15Å; H337-D340 PolarHBondContact O-N 3.4Å; D340-Q342 PolarHBondContact O-N 3.37Å | ||
| 341 | V | 77.5 | Confident | 85.9 | Confident | 150 Ų | 150 | 110.4 Ų | 110.4 | 91% | 0.909 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -62.4 | -25.7 | 177 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 342 | Q | 76.7 | Confident | 85.7 | Confident | 174 Ų | 174 | 110.6 Ų | 110.6 | 81% | 0.813 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -135.8 | 103.7 | 170.1 | -68.6 | -177.2 | -12.8 | 0 | 0 | 108.6 | D340 E344 | D340-Q342 PolarHBondContact O-N 3.37Å; Q342-E344 PolarHBondContact O-N 3.4Å; Q342-E344 VanDerWaalsContact O-N 3.13Å |
| 343 | A | 81.4 | Confident | 85.1 | Confident | 53 Ų | 53 | 108.4 Ų | 108.4 | 44% | 0.438 | 61% | 0.607 | S | S | . | * | trans | -72.4 | 99.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | H337 I345 | H337-A343 HydrophobicContact CB-CB 3.85Å; A343-I345 PolarHBondContact O-N 2.99Å | ||
| 344 | E | 78.1 | Confident | 84.5 | Confident | 147 Ų | 147 | 106.2 Ų | 106.2 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | trans | -77.3 | 99.9 | 171.6 | -77.7 | -141.4 | 117.1 | 0 | 0 | 111.3 | Q342 K355 | Q342-E344 PolarHBondContact O-N 3.4Å; Q342-E344 VanDerWaalsContact O-N 3.13Å; E344-K355 IonicContact OE1-NZ 2.71Å; E344-K355 PolarHBondContact OE1-NZ 3.05Å | ||
| 345 | I | 84.1 | Confident | 83.6 | Confident | 127 Ų | 127 | 106 Ų | 106 | 65% | 0.651 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 126.4 | 175.2 | -56.2 | 176.6 | 0 | 0 | 0 | 109.7 | A343 H347 | A343-I345 PolarHBondContact O-N 2.99Å; I345-H347 PolarHBondContact O-N 3.33Å |
| 346 | P | 85.7 | Confident | 82.3 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 72% | 0.721 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127.2 | -175.7 | 27.8 | -34.5 | 0 | 0 | 0 | 112.9 | ||
| 347 | H | 86.2 | Confident | 81.3 | Confident | 82 Ų | 82 | 108.4 Ų | 108.4 | 38% | 0.38 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -79 | 142.8 | 172.4 | -75 | -127.5 | 0 | 0 | 0 | 111.6 | I345 S351 L352 | I345-H347 PolarHBondContact O-N 3.33Å; H347-S351 PolarHBondContact ND1-O 3.43Å; H347-L352 HydrophobicContact CB-CB 4.37Å; H347-L352 HydrophobicContact CB-CD1 4.21Å |
| 348 | T | 87.7 | Confident | 80.5 | Confident | 90 Ų | 90 | 111.1 Ų | 111.1 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 159.5 | 164.9 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | A350 S351 L352 | T348-A350 PolarHBondContact O-N 3.25Å; T348-A350 VanDerWaalsContact O-N 3.11Å; T348-A350 PolarHBondContact OG1-N 2.93Å; T348-S351 PolarHBondContact N-OG 3.2Å; T348-S351 CarbonylContact O-C 3.58Å; T348-S351 PolarHBondContact O-N 2.92Å; T348-S351 PolarHBondContact O-OG 2.92Å; T348-S351 WeakPolarHBondContact OG1-CB 3.5Å; T348-S351 PolarHBondContact OG1-N 3.03Å; T348-S351 VanDerWaalsContact OG1-N 3.1Å; T348-S351 PolarHBondContact OG1-OG 3.46Å; T348-L352 PolarHBondContact O-N 2.68Å |
| 349 | A | 86.5 | Confident | 79.8 | Confident | 103 Ų | 103 | 114.5 Ų | 114.5 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -25.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 350 | A | 82.3 | Confident | 79 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T348 | T348-A350 PolarHBondContact O-N 3.25Å; T348-A350 VanDerWaalsContact O-N 3.11Å; T348-A350 PolarHBondContact OG1-N 2.93Å |
| 351 | S | 83.9 | Confident | 78 | Confident | 34 Ų | 34 | 111.6 Ų | 111.6 | 24% | 0.238 | 65% | 0.652 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -5.1 | -179.8 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | H347 T348 G353 L354 | H347-S351 PolarHBondContact ND1-O 3.43Å; T348-S351 PolarHBondContact N-OG 3.2Å; T348-S351 CarbonylContact O-C 3.58Å; T348-S351 PolarHBondContact O-N 2.92Å; T348-S351 PolarHBondContact O-OG 2.92Å; T348-S351 WeakPolarHBondContact OG1-CB 3.5Å; T348-S351 PolarHBondContact OG1-N 3.03Å; T348-S351 VanDerWaalsContact OG1-N 3.1Å; T348-S351 PolarHBondContact OG1-OG 3.46Å; S351-G353 VanDerWaalsContact C-N 3.32Å; S351-G353 PolarHBondContact O-N 2.99Å; S351-L354 CarbonylContact O-C 3.57Å; S351-L354 WeakPolarHBondContact O-CA 3.49Å; S351-L354 WeakPolarHBondContact O-CB 3.49Å; S351-L354 PolarHBondContact O-N 2.72Å |
| 352 | L | 84.4 | Confident | 78.1 | Confident | 111 Ų | 111 | 110.5 Ų | 110.5 | 58% | 0.581 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -66.3 | -34.3 | 177.9 | -174.5 | 63.5 | 0 | 0 | 0 | 112.3 | H347 T348 L354 K355 | H347-L352 HydrophobicContact CB-CB 4.37Å; H347-L352 HydrophobicContact CB-CD1 4.21Å; T348-L352 PolarHBondContact O-N 2.68Å; L352-L354 PolarHBondContact O-N 3.32Å; L352-K355 PolarHBondContact O-N 2.98Å |
| 353 | G | 78.1 | Confident | 77.5 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -74.6 | -1.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S351 | S351-G353 VanDerWaalsContact C-N 3.32Å; S351-G353 PolarHBondContact O-N 2.99Å |
| 354 | L | 79.8 | Confident | 76.7 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -112.1 | 18 | 174.1 | -53.7 | 175.6 | 0 | 0 | 0 | 111.2 | S351 L352 D356 | S351-L354 CarbonylContact O-C 3.57Å; S351-L354 WeakPolarHBondContact O-CA 3.49Å; S351-L354 WeakPolarHBondContact O-CB 3.49Å; S351-L354 PolarHBondContact O-N 2.72Å; L352-L354 PolarHBondContact O-N 3.32Å; L354-D356 VanDerWaalsContact C-N 3.33Å; L354-D356 PolarHBondContact O-N 3.06Å; L354-D356 VanDerWaalsContact O-N 3.1Å |
| 355 | K | 72.5 | Confident | 76.4 | Confident | 116 Ų | 116 | 104.6 Ų | 104.6 | 50% | 0.504 | 64% | 0.64 | S | S | . | * | trans | -79.7 | 85.9 | 171.1 | -171.7 | 172.2 | -178.4 | 173.8 | 0 | 108.6 | E344 L352 | E344-K355 IonicContact OE1-NZ 2.71Å; E344-K355 PolarHBondContact OE1-NZ 3.05Å; L352-K355 PolarHBondContact O-N 2.98Å | ||
| 356 | D | 62.9 | Low | 75.7 | Confident | 143 Ų | 143 | 104.1 Ų | 104.1 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 149 | 171 | -67.6 | -43 | 0 | 0 | 0 | 110.9 | L354 | L354-D356 VanDerWaalsContact C-N 3.33Å; L354-D356 PolarHBondContact O-N 3.06Å; L354-D356 VanDerWaalsContact O-N 3.1Å |
| 357 | N | 67.5 | Low | 74.6 | Confident | 152 Ų | 152 | 107.9 Ų | 107.9 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 147.9 | 167.5 | -68.1 | -42.9 | 0 | 0 | 0 | 109.3 | ||
| 358 | P | 74.3 | Confident | 73.7 | Confident | 99 Ų | 99 | 108.3 Ų | 108.3 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 144.8 | 173 | 25.4 | -34.4 | 0 | 0 | 0 | 110.8 | I360 | P358-I360 HydrophobicContact CG-CD1 4.39Å; P358-I360 HydrophobicContact CG-CG1 4.22Å; P358-I360 PolarHBondContact O-N 3.39Å |
| 359 | Q | 73.8 | Confident | 72.9 | Confident | 197 Ų | 197 | 110.6 Ų | 110.6 | 92% | 0.921 | 66% | 0.656 | S | S | * | * | trans | -78.1 | 83.9 | 178.1 | -174 | 178.2 | -15.1 | 0 | 0 | 110.4 | G361 | Q359-G361 PolarHBondContact O-N 2.93Š| ||
| 360 | I | 70.3 | Confident | 71.6 | Confident | 127 Ų | 127 | 110.7 Ų | 110.7 | 65% | 0.651 | 65% | 0.648 | S | S | * | * | trans | -76 | -7.1 | 178 | -44.6 | 168.1 | 0 | 0 | 0 | 111.6 | P358 | P358-I360 HydrophobicContact CG-CD1 4.39Å; P358-I360 HydrophobicContact CG-CG1 4.22Å; P358-I360 PolarHBondContact O-N 3.39Å | ||
| 361 | G | 64.9 | Low | 70.6 | Confident | 38 Ų | 38 | 114.1 Ų | 114.1 | 39% | 0.392 | 65% | 0.649 | S | S | . | * | trans | 97.4 | 151.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q359 A363 S364 | Q359-G361 PolarHBondContact O-N 2.93Å; G361-A363 PolarHBondContact O-N 2.96Å; G361-S364 PolarHBondContact O-N 2.98Å; G361-S364 PolarHBondContact O-OG 3.47Å | ||
| 362 | S | 78.4 | Confident | 69.1 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 88% | 0.881 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -22 | -174.3 | 47.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 363 | A | 63.7 | Low | 67.8 | Low | 62 Ų | 62 | 118.6 Ų | 118.6 | 51% | 0.512 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -9.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G361 T365 I366 | G361-A363 PolarHBondContact O-N 2.96Å; A363-T365 PolarHBondContact O-N 3.48Å; A363-I366 HydrophobicContact CB-CD1 3.91Å; A363-I366 WeakPolarHBondContact O-CB 3.27Å; A363-I366 WeakPolarHBondContact O-CG1 3.2Å; A363-I366 PolarHBondContact O-N 3.42Å; A363-I366 VanDerWaalsContact O-N 3.07Å |
| 364 | S | 66.6 | Low | 66.4 | Low | 67 Ų | 67 | 122.1 Ų | 122.1 | 47% | 0.469 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -11 | -168.5 | 78.2 | 0 | 0 | 0 | 0 | 115 | G361 | G361-S364 PolarHBondContact O-N 2.98Å; G361-S364 PolarHBondContact O-OG 3.47Å |
| 365 | T | 70 | Confident | 64.9 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 11.3 | 177.2 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | A363 E367 | A363-T365 PolarHBondContact O-N 3.48Å; T365-E367 PolarHBondContact O-N 2.79Å; T365-E367 VanDerWaalsContact O-N 3.17Å |
| 366 | I | 70.6 | Confident | 63.8 | Low | 117 Ų | 117 | 124.8 Ų | 124.8 | 60% | 0.6 | 69% | 0.69 | S | S | * | * | trans | -79.5 | 96.8 | 176.1 | -60.8 | 176.1 | 0 | 0 | 0 | 109.6 | A363 V368 | A363-I366 HydrophobicContact CB-CD1 3.91Å; A363-I366 WeakPolarHBondContact O-CB 3.27Å; A363-I366 WeakPolarHBondContact O-CG1 3.2Å; A363-I366 PolarHBondContact O-N 3.42Å; A363-I366 VanDerWaalsContact O-N 3.07Å; I366-V368 HydrophobicContact CG2-CG2 4.25Å; I366-V368 PolarHBondContact O-N 3.24Å | ||
| 367 | E | 62 | Low | 62.8 | Low | 190 Ų | 190 | 122.6 Ų | 122.6 | 89% | 0.888 | 68% | 0.684 | S | S | * | * | trans | -69.5 | 95.6 | 169.5 | -69.2 | -175.1 | 170.3 | 0 | 0 | 110.8 | T365 K369 | T365-E367 PolarHBondContact O-N 2.79Å; T365-E367 VanDerWaalsContact O-N 3.17Å; E367-K369 PolarHBondContact O-N 3.27Å | ||
| 368 | V | 66.6 | Low | 61.6 | Low | 90 Ų | 90 | 119.5 Ų | 119.5 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -71.7 | 120.4 | 169.1 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | I366 K372 A373 | I366-V368 HydrophobicContact CG2-CG2 4.25Å; I366-V368 PolarHBondContact O-N 3.24Å; V368-K372 HydrophobicContact CG1-CB 3.97Å; V368-A373 HydrophobicContact CG1-CB 4Å | ||
| 369 | K | 71 | Confident | 60.1 | Low | 139 Ų | 139 | 121.1 Ų | 121.1 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -60.5 | 145.3 | 175.4 | -67.5 | -171.8 | 175.3 | -169.7 | 0 | 110.7 | E367 E371 K372 A373 | E367-K369 PolarHBondContact O-N 3.27Å; K369-E371 VanDerWaalsContact C-N 3.3Å; K369-E371 PolarHBondContact O-N 3.12Å; K369-K372 CarbonylContact O-C 3.39Å; K369-K372 WeakPolarHBondContact O-CA 3.48Å; K369-K372 PolarHBondContact O-N 3.22Å; K369-A373 PolarHBondContact O-N 2.88Å; K369-A373 VanDerWaalsContact O-N 3.09Å | ||
| 370 | P | 59.9 | Low | 58.4 | Low | 104 Ų | 104 | 116 Ų | 116 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -55.9 | -40.9 | -178.4 | 19.8 | -31.9 | 0 | 0 | 0 | 113.3 | K372 A373 E374 | P370-K372 PolarHBondContact O-N 2.91Å; P370-A373 PolarHBondContact O-N 3.22Å; P370-E374 PolarHBondContact O-N 3.13Å; P370-E374 VanDerWaalsContact O-N 3.08Å |
| 371 | E | 60.8 | Low | 56.9 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -58 | -9.8 | 173.1 | -56.2 | 169.9 | 159.1 | 0 | 0 | 114.8 | K369 | K369-E371 VanDerWaalsContact C-N 3.3Å; K369-E371 PolarHBondContact O-N 3.12Å |
| 372 | K | 54.1 | Low | 55.7 | Low | 176 Ų | 176 | 123.1 Ų | 123.1 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -123 | 1.2 | 176 | -70.1 | -164.2 | 166.2 | -152.7 | 0 | 113.3 | V368 K369 P370 | V368-K372 HydrophobicContact CG1-CB 3.97Å; K369-K372 CarbonylContact O-C 3.39Å; K369-K372 WeakPolarHBondContact O-CA 3.48Å; K369-K372 PolarHBondContact O-N 3.22Å; P370-K372 PolarHBondContact O-N 2.91Å |
| 373 | A | 56.7 | Low | 53.9 | Low | 63 Ų | 63 | 121.6 Ų | 121.6 | 52% | 0.521 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.6 | -6.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V368 K369 P370 L375 | V368-A373 HydrophobicContact CG1-CB 4Å; K369-A373 PolarHBondContact O-N 2.88Å; K369-A373 VanDerWaalsContact O-N 3.09Å; P370-A373 PolarHBondContact O-N 3.22Å; A373-L375 PolarHBondContact O-N 3.12Å |
| 374 | E | 47.7 | Very low | 52.8 | Low | 151 Ų | 151 | 124.6 Ų | 124.6 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -61.8 | 131.2 | 166.6 | -73.8 | -177.4 | 151 | 0 | 0 | 110.6 | P370 V376 | P370-E374 PolarHBondContact O-N 3.13Å; P370-E374 VanDerWaalsContact O-N 3.08Å; E374-V376 PolarHBondContact O-N 2.79Å |
| 375 | L | 48.7 | Very low | 51.6 | Low | 178 Ų | 178 | 128.8 Ų | 128.8 | 93% | 0.932 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 116.8 | 176.4 | -67.5 | 164.8 | 0 | 0 | 0 | 109.4 | A373 | A373-L375 PolarHBondContact O-N 3.12Š|
| 376 | V | 48.8 | Very low | 50.1 | Low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 129.5 | 178.2 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | E374 | E374-V376 PolarHBondContact O-N 2.79Š|
| 377 | P | 42 | Very low | 48.6 | Very low | 98 Ų | 98 | 134 Ų | 134 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.7 | 175 | 27.5 | -34.4 | 0 | 0 | 0 | 111.5 | D379 | P377-D379 PolarHBondContact O-N 3.1Å; P377-D379 VanDerWaalsContact O-N 3.13Å |
| 378 | S | 43.8 | Very low | 47.7 | Very low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -64.3 | -17.3 | -167.8 | 34.6 | 0 | 0 | 0 | 0 | 116.1 | T380 | S378-T380 PolarHBondContact O-N 2.92Å; S378-T380 VanDerWaalsContact O-N 3.17Å |
| 379 | D | 42.3 | Very low | 46.5 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | -97.5 | 32 | -147.5 | -46.8 | -27.1 | 0 | 0 | 0 | 114.4 | P377 | P377-D379 PolarHBondContact O-N 3.1Å; P377-D379 VanDerWaalsContact O-N 3.13Å | ||
| 380 | T | 37.3 | Very low | 45.1 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | trans | -140.6 | 34.1 | -169.1 | 55.9 | 0 | 0 | 0 | 0 | 116.7 | S378 | S378-T380 PolarHBondContact O-N 2.92Å; S378-T380 VanDerWaalsContact O-N 3.17Å | ||
| 381 | E | 39.9 | Very low | 44.4 | Very low | 112 Ų | 112 | 128 Ų | 128 | 52% | 0.523 | 67% | 0.674 | S | S | . | * | trans | -89.9 | -17.1 | -177.9 | -87.3 | -65.2 | 101.5 | 0 | 0 | 116.8 | A383 K384 | E381-A383 PolarHBondContact O-N 3.38Å; E381-K384 IonicContact OE1-NZ 2.73Å; E381-K384 PolarHBondContact OE1-NZ 2.95Å | ||
| 382 | E | 39 | Very low | 43.5 | Very low | 201 Ų | 201 | 128.1 Ų | 128.1 | 94% | 0.939 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -14.1 | -175.3 | -65.5 | -163.6 | 134.6 | 0 | 0 | 115.1 | ||
| 383 | A | 39.7 | Very low | 43.1 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -0.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | E381 | E381-A383 PolarHBondContact O-N 3.38Š|
| 384 | K | 41.9 | Very low | 42.7 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 54% | 0.539 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -115.9 | -12.3 | -166.6 | -67.4 | 177 | -158.1 | 136.5 | 0 | 117.2 | E381 E386 | E381-K384 IonicContact OE1-NZ 2.73Å; E381-K384 PolarHBondContact OE1-NZ 2.95Å; K384-E386 VanDerWaalsContact C-N 3.34Å; K384-E386 PolarHBondContact O-N 3.09Å |
| 385 | Q | 41.6 | Very low | 42.8 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.3 | -21.4 | -167.5 | -65 | -170.5 | 0.4 | 0 | 0 | 115.1 | ||
| 386 | E | 38.6 | Very low | 42.5 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 87% | 0.869 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.8 | -34.8 | -177.2 | -69.2 | -154.2 | 114.5 | 0 | 0 | 114.8 | K384 | K384-E386 VanDerWaalsContact C-N 3.34Å; K384-E386 PolarHBondContact O-N 3.09Å |
| 387 | E | 39.3 | Very low | 42.5 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 76% | 0.757 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.3 | -36 | -173.2 | -71 | -146.8 | 121.2 | 0 | 0 | 113.2 | L389 S390 | E387-L389 PolarHBondContact O-N 2.82Å; E387-S390 WeakPolarHBondContact O-CB 3.27Å; E387-S390 PolarHBondContact O-N 3.04Å; E387-S390 VanDerWaalsContact O-N 3.17Å; E387-S390 PolarHBondContact O-OG 3.34Å |
| 388 | G | 41.8 | Very low | 42.9 | Very low | 44 Ų | 44 | 123.4 Ų | 123.4 | 45% | 0.454 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.1 | -46.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S390 R391 F392 | G388-S390 PolarHBondContact O-N 3.1Å; G388-S390 VanDerWaalsContact O-N 3.11Å; G388-R391 PolarHBondContact O-N 3.44Å; G388-R391 VanDerWaalsContact O-N 3.16Å; G388-F392 PolarHBondContact O-N 3.25Å |
| 389 | L | 41 | Very low | 43.2 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 56% | 0.555 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -59.5 | -25.5 | 178.6 | -95.2 | 71.2 | 0 | 0 | 0 | 112.8 | E387 R393 | E387-L389 PolarHBondContact O-N 2.82Å; L389-R393 WeakPolarHBondContact O-CB 3.29Å; L389-R393 VanDerWaalsContact O-CG 3.32Å; L389-R393 WeakPolarHBondContact O-CG 3.32Å; L389-R393 PolarHBondContact O-N 2.83Å |
| 390 | S | 42.6 | Very low | 43.5 | Very low | 54 Ų | 54 | 124.9 Ų | 124.9 | 38% | 0.378 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.8 | -34.1 | -179.9 | 85.3 | 0 | 0 | 0 | 0 | 113.1 | E387 G388 K394 | E387-S390 WeakPolarHBondContact O-CB 3.27Å; E387-S390 PolarHBondContact O-N 3.04Å; E387-S390 VanDerWaalsContact O-N 3.17Å; E387-S390 PolarHBondContact O-OG 3.34Å; G388-S390 PolarHBondContact O-N 3.1Å; G388-S390 VanDerWaalsContact O-N 3.11Å; S390-K394 WeakPolarHBondContact O-CG 3.31Å; S390-K394 PolarHBondContact O-N 3.4Å |
| 391 | R | 45.1 | Very low | 43.9 | Very low | 194 Ų | 194 | 124.4 Ų | 124.4 | 73% | 0.732 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.4 | -50 | -179.9 | -79.8 | -175.7 | 170.8 | -170 | -1 | 111.3 | G388 R393 K394 V395 | G388-R391 PolarHBondContact O-N 3.44Å; G388-R391 VanDerWaalsContact O-N 3.16Å; R391-R393 VanDerWaalsContact C-N 3.3Å; R391-R393 PolarHBondContact O-N 3.17Å; R391-K394 PolarHBondContact O-N 3.38Å; R391-V395 PolarHBondContact O-N 2.91Å |
| 392 | F | 41.4 | Very low | 44.1 | Very low | 163 Ų | 163 | 120.7 Ų | 120.7 | 72% | 0.715 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -57 | -43.4 | 178.4 | -116.2 | -91.4 | 0 | 0 | 0 | 112 | G388 K394 V395 S396 | G388-F392 PolarHBondContact O-N 3.25Å; F392-K394 VanDerWaalsContact C-N 3.27Å; F392-K394 PolarHBondContact O-N 2.77Å; F392-V395 PolarHBondContact O-N 3.02Å; F392-S396 VanDerWaalsContact O-CB 3.3Å; F392-S396 WeakPolarHBondContact O-CB 3.26Å; F392-S396 PolarHBondContact O-N 3.35Å |
| 393 | R | 46 | Very low | 44.3 | Very low | 164 Ų | 164 | 114.2 Ų | 114.2 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.8 | -16.6 | 177 | -74 | 177.2 | 170.5 | 172.9 | -0.9 | 114.8 | L389 R391 R397 | L389-R393 WeakPolarHBondContact O-CB 3.29Å; L389-R393 VanDerWaalsContact O-CG 3.32Å; L389-R393 WeakPolarHBondContact O-CG 3.32Å; L389-R393 PolarHBondContact O-N 2.83Å; R391-R393 VanDerWaalsContact C-N 3.3Å; R391-R393 PolarHBondContact O-N 3.17Å; R393-R397 PolarHBondContact O-NE 3.44Å |
| 394 | K | 48.6 | Very low | 44.4 | Very low | 150 Ų | 150 | 118.8 Ų | 118.8 | 65% | 0.652 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -87.1 | -46.7 | 172.2 | -79 | 171.2 | 179.2 | 168.1 | 0 | 111.6 | S390 R391 F392 R397 A398 | S390-K394 WeakPolarHBondContact O-CG 3.31Å; S390-K394 PolarHBondContact O-N 3.4Å; R391-K394 PolarHBondContact O-N 3.38Å; F392-K394 VanDerWaalsContact C-N 3.27Å; F392-K394 PolarHBondContact O-N 2.77Å; K394-R397 PolarHBondContact O-N 2.91Å; K394-A398 WeakPolarHBondContact O-CB 3.48Å; K394-A398 PolarHBondContact O-N 2.86Å |
| 395 | V | 49.8 | Very low | 44.6 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.6 | -47 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | R391 F392 R397 A398 I399 | R391-V395 PolarHBondContact O-N 2.91Å; F392-V395 PolarHBondContact O-N 3.02Å; V395-R397 VanDerWaalsContact C-N 3.3Å; V395-R397 PolarHBondContact O-N 2.95Å; V395-A398 PolarHBondContact O-N 2.87Å; V395-I399 HydrophobicContact CG1-CD1 3.76Å; V395-I399 HydrophobicContact CG1-CG1 4.47Å; V395-I399 WeakPolarHBondContact O-CG1 3.48Å; V395-I399 PolarHBondContact O-N 2.86Å |
| 396 | S | 43.3 | Very low | 44.4 | Very low | 64 Ų | 64 | 121 Ų | 121 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -55.8 | -42.8 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | F392 M400 | F392-S396 VanDerWaalsContact O-CB 3.3Å; F392-S396 WeakPolarHBondContact O-CB 3.26Å; F392-S396 PolarHBondContact O-N 3.35Å; S396-M400 WeakPolarHBondContact O-CB 3.28Å; S396-M400 WeakPolarHBondContact O-CG 3.26Å; S396-M400 PolarHBondContact O-N 2.84Å |
| 397 | R | 48.4 | Very low | 44.3 | Very low | 154 Ų | 154 | 121.1 Ų | 121.1 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.6 | -43 | 178.6 | -136.8 | 177.9 | -60.8 | -167.4 | -2.9 | 112 | R393 K394 V395 I399 M400 E401 | R393-R397 PolarHBondContact O-NE 3.44Å; K394-R397 PolarHBondContact O-N 2.91Å; V395-R397 VanDerWaalsContact C-N 3.3Å; V395-R397 PolarHBondContact O-N 2.95Å; R397-I399 VanDerWaalsContact C-N 3.35Å; R397-I399 PolarHBondContact O-N 3.17Å; R397-M400 PolarHBondContact O-N 3.42Å; R397-E401 VanDerWaalsContact O-CB 3.31Å; R397-E401 WeakPolarHBondContact O-CB 3.5Å; R397-E401 WeakPolarHBondContact O-CG 2.94Å; R397-E401 PolarHBondContact O-N 2.93Å |
| 398 | A | 49.5 | Very low | 44.3 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 55% | 0.554 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.6 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K394 V395 G402 | K394-A398 WeakPolarHBondContact O-CB 3.48Å; K394-A398 PolarHBondContact O-N 2.86Å; V395-A398 PolarHBondContact O-N 2.87Å; A398-G402 PolarHBondContact O-N 2.9Å |
| 399 | I | 51.1 | Low | 43.9 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 59% | 0.59 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.9 | -46.9 | 177.6 | -66.3 | 170.6 | 0 | 0 | 0 | 111 | V395 R397 G402 A403 | V395-I399 HydrophobicContact CG1-CD1 3.76Å; V395-I399 HydrophobicContact CG1-CG1 4.47Å; V395-I399 WeakPolarHBondContact O-CG1 3.48Å; V395-I399 PolarHBondContact O-N 2.86Å; R397-I399 VanDerWaalsContact C-N 3.35Å; R397-I399 PolarHBondContact O-N 3.17Å; I399-G402 PolarHBondContact O-N 2.91Å; I399-A403 PolarHBondContact O-N 3.44Å |
| 400 | M | 48 | Very low | 43.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 67% | 0.67 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 178.4 | -74.5 | -117.9 | -85.2 | 0 | 0 | 112.8 | S396 R397 R404 | S396-M400 WeakPolarHBondContact O-CB 3.28Å; S396-M400 WeakPolarHBondContact O-CG 3.26Å; S396-M400 PolarHBondContact O-N 2.84Å; R397-M400 PolarHBondContact O-N 3.42Å; M400-R404 WeakPolarHBondContact O-CB 3.2Å; M400-R404 PolarHBondContact O-N 2.87Å |
| 401 | E | 46.4 | Very low | 43.1 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 37% | 0.374 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.6 | -32 | 173.5 | -71.1 | -167.8 | 68.8 | 0 | 0 | 112.4 | R397 R405 | R397-E401 VanDerWaalsContact O-CB 3.31Å; R397-E401 WeakPolarHBondContact O-CB 3.5Å; R397-E401 WeakPolarHBondContact O-CG 2.94Å; R397-E401 PolarHBondContact O-N 2.93Å; E401-R405 WeakPolarHBondContact O-CB 3.46Å; E401-R405 WeakPolarHBondContact O-CD 3.26Å; E401-R405 WeakPolarHBondContact O-CG 3.41Å; E401-R405 PolarHBondContact O-N 3.05Å; E401-R405 IonicContact OE1-CZ 3.75Å; E401-R405 IonicContact OE1-NE 3.98Å; E401-R405 IonicContact OE1-NH2 3.34Å; E401-R405 PolarHBondContact OE1-NH2 2.86Å |
| 402 | G | 43 | Very low | 42.5 | Very low | 34 Ų | 34 | 130.4 Ų | 130.4 | 35% | 0.351 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -59.5 | -55.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | A398 I399 R404 R405 Q406 | A398-G402 PolarHBondContact O-N 2.9Å; I399-G402 PolarHBondContact O-N 2.91Å; G402-R404 PolarHBondContact O-N 2.94Å; G402-R405 PolarHBondContact O-N 2.85Å; G402-Q406 PolarHBondContact O-N 2.89Å |
| 403 | A | 43.3 | Very low | 41.9 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -59.2 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I399 R405 Q406 F407 | I399-A403 PolarHBondContact O-N 3.44Å; A403-R405 VanDerWaalsContact C-N 3.32Å; A403-R405 PolarHBondContact O-N 2.87Å; A403-Q406 PolarHBondContact O-N 2.91Å; A403-F407 PolarHBondContact O-N 2.89Å |
| 404 | R | 42.8 | Very low | 41.1 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 73% | 0.725 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.8 | -27.6 | 179.6 | -162.8 | 171.5 | -173.2 | 172.1 | 1.9 | 113.2 | M400 G402 L408 | M400-R404 WeakPolarHBondContact O-CB 3.2Å; M400-R404 PolarHBondContact O-N 2.87Å; G402-R404 PolarHBondContact O-N 2.94Å; R404-L408 HydrophobicContact CG-CD1 4.49Å |
| 405 | R | 44.3 | Very low | 40.2 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.2 | -18.3 | 174.6 | -70.3 | 168 | -169.3 | -155.9 | 6.1 | 113.5 | E401 G402 A403 | E401-R405 WeakPolarHBondContact O-CB 3.46Å; E401-R405 WeakPolarHBondContact O-CD 3.26Å; E401-R405 WeakPolarHBondContact O-CG 3.41Å; E401-R405 PolarHBondContact O-N 3.05Å; E401-R405 IonicContact OE1-CZ 3.75Å; E401-R405 IonicContact OE1-NE 3.98Å; E401-R405 IonicContact OE1-NH2 3.34Å; E401-R405 PolarHBondContact OE1-NH2 2.86Å; G402-R405 PolarHBondContact O-N 2.85Å; A403-R405 VanDerWaalsContact C-N 3.32Å; A403-R405 PolarHBondContact O-N 2.87Å |
| 406 | Q | 39.2 | Very low | 39.2 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.4 | -37 | 171.5 | -97.3 | 176.2 | -33.4 | 0 | 0 | 112.7 | G402 A403 L408 | G402-Q406 PolarHBondContact O-N 2.89Å; A403-Q406 PolarHBondContact O-N 2.91Å; Q406-L408 VanDerWaalsContact C-N 3.29Å; Q406-L408 PolarHBondContact O-N 2.86Å |
| 407 | F | 36.1 | Very low | 38.6 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 83% | 0.825 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.2 | -18 | -179.4 | -155 | -98.1 | 0 | 0 | 0 | 114.1 | A403 | A403-F407 PolarHBondContact O-N 2.89Å |
| 408 | L | 39.6 | Very low | 37.7 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 13.3 | -175.6 | -72.7 | 171.4 | 0 | 0 | 0 | 114.6 | R404 Q406 | R404-L408 HydrophobicContact CG-CD1 4.49Å; Q406-L408 VanDerWaalsContact C-N 3.29Å; Q406-L408 PolarHBondContact O-N 2.86Å |
| 409 | R | 32.2 | Very low | 37 | Very low | 208 Ų | 208 | 137 Ų | 137 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -116.1 | 13.9 | -170.4 | -146.1 | 174.6 | -175.1 | -172.3 | 0.2 | 116 | ||||
| 410 | N | 34.5 | Very low | 36.6 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -96.2 | 14.6 | 178 | -82 | -4.2 | 0 | 0 | 0 | 114.4 | ||
| 411 | N | 32.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -132.7 | 147.8 | 169.7 | -80.3 | -39.6 | 0 | 0 | 0 | 109 | ||
| 412 | S | 33 | Very low | 35.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | trans | 61.9 | 94.8 | -178.3 | -53.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 413 | Q | 28.1 | Very low | 34.8 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | cis | 75.5 | 132.2 | 47 | -149 | 178.9 | -6.3 | 0 | 0 | 113.9 | ||||
| 414 | E | 28.9 | Very low | 34.3 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 94.2 | 130.5 | 164.8 | -57.9 | -146.3 | 136.5 | 0 | 0 | 122 | ||||
| 415 | F | 29.5 | Very low | 33.7 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 50.1 | 112.2 | 153.9 | -78.1 | -105.9 | 0 | 0 | 0 | 120.5 | ||||
| 416 | S | 29.1 | Very low | 32.9 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | 85.1 | 144.3 | 80.6 | 85.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 417 | D | 30 | Very low | 32.3 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | cis | -159.9 | 172.4 | 7.3 | -155.7 | 2.7 | 0 | 0 | 0 | 112.1 | ||||
| 418 | Q | 31 | Very low | 31.9 | Very low | 152 Ų | 152 | 142 Ų | 142 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | trans | 59.3 | 122.5 | 159 | -69.2 | 158.7 | 55.2 | 0 | 0 | 119.1 | ||||
| 419 | S | 34.5 | Very low | 31.2 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | 103.9 | 161 | 27.7 | 78.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 420 | P | 41.7 | Very low | 31.4 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -142.5 | -161.9 | -37 | 35.6 | -15.3 | 0 | 0 | 0 | 114.1 | ||||
| 421 | S | 33 | Very low | 31.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 90.1 | 145.1 | 156.4 | 86 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 422 | A | 35.1 | Very low | 30.8 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | cis | -148.5 | 120.9 | -12.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 423 | A | 32.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | 82.4 | 106.5 | 79.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 424 | G | 32.6 | Very low | 30.7 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -155.5 | 29.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 425 | K | 31.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | 44.9 | 115.8 | 155.7 | -66.6 | 173.9 | -174.8 | 171.6 | 0 | 119 | ||||
| 426 | R | 26.7 | Very low | 30.5 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | 61.5 | 141.3 | 83.2 | -72.7 | -175.9 | -174.5 | -175.1 | 2.8 | 114.9 | |||||
| 427 | K | 26.8 | Very low | 31.4 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | cis | -180 | 153.4 | -17.9 | -128 | -176.4 | 171.1 | -172.1 | 0 | 108.1 | ||||
| 428 | I | 26.6 | Very low | 31.7 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | 75.1 | 156.5 | 150.2 | -67.1 | 166.6 | 0 | 0 | 0 | 119 | ||||
| 429 | S | 25.8 | Very low | 31.7 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 87.2 | 113.5 | 164.4 | 19.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 430 | R | 35.5 | Very low | 31.3 | Very low | 238 Ų | 238 | 142.7 Ų | 142.7 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -54.5 | 168.2 | 147.6 | -71.6 | 175.3 | 171.9 | 176.9 | -3.8 | 111.1 | ||||
| 431 | P | 31.2 | Very low | 30.6 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -150 | -166.3 | 32.5 | 42.6 | -20.3 | 0 | 0 | 0 | 117.5 | ||||
| 432 | L | 24.8 | Very low | 30.3 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 69.2 | 155.7 | 164.7 | -62.8 | 164.6 | 0 | 0 | 0 | 115.5 | ||||
| 433 | S | 26.8 | Very low | 29.9 | Very low | 91 Ų | 91 | 149.4 Ų | 149.4 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -166.4 | 143.6 | -14.5 | 44.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 434 | H | 31.2 | Very low | 29.6 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -164.3 | 96.7 | 138.8 | -109 | -64 | 0 | 0 | 0 | 113.8 | ||||
| 435 | S | 25.9 | Very low | 29.4 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 42.9 | 124.7 | 140.3 | 48.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 436 | R | 28 | Very low | 29.2 | Very low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -89.9 | -154 | 144.6 | -59.3 | 176.5 | 157.3 | -177.9 | -6.1 | 110.6 | ||||
| 437 | P | 47.5 | Very low | 29.4 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -104.5 | -168.7 | -138.2 | 39.6 | -18.4 | 0 | 0 | 0 | 114.4 | ||||
| 438 | P | 37.4 | Very low | 29.5 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | -143.5 | -105.7 | 95.4 | 36.6 | -17 | 0 | 0 | 0 | 115.2 | |||||
| 439 | L | 30 | Very low | 29.9 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | -144 | 173.1 | -170.9 | -84.4 | 104.1 | 0 | 0 | 0 | 112.2 | ||||
| 440 | D | 27.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | 88.6 | 121.8 | 146.5 | -77.9 | -35.1 | 0 | 0 | 0 | 124.6 | ||||
| 441 | S | 27.1 | Very low | 30 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 84.3 | 115 | 133.2 | 74.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 442 | Q | 26.9 | Very low | 30.1 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 67.4 | 132.4 | 131 | -63.8 | -163.7 | 26.3 | 0 | 0 | 124 | ||||
| 443 | F | 25.7 | Very low | 30.5 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | 38 | 131.5 | 139.6 | -73.4 | -91.8 | 0 | 0 | 0 | 119.9 | ||||
| 444 | S | 27.3 | Very low | 30.8 | Very low | 86 Ų | 86 | 149.2 Ų | 149.2 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | cis | 176.3 | 166.4 | 18.2 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 445 | R | 27 | Very low | 30.8 | Very low | 234 Ų | 234 | 144 Ų | 144 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | 60.8 | 150.8 | 152.9 | -70.5 | 170.3 | -177.4 | -175.9 | 2 | 117.9 | ||||
| 446 | S | 28 | Very low | 31.1 | Very low | 88 Ų | 88 | 147.2 Ų | 147.2 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | cis | -172.3 | 160.1 | -12.5 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 447 | N | 30.2 | Very low | 31.4 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 71.8 | 148.6 | 160.2 | -64 | -15.9 | 0 | 0 | 0 | 118.1 | ||||
| 448 | S | 30.4 | Very low | 30.5 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | cis | -170.5 | 164.7 | -16.8 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 449 | Q | 33.5 | Very low | 30.1 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 74.2 | 142.8 | 168.3 | -54.9 | -173.5 | 43.7 | 0 | 0 | 114.7 | ||||
| 450 | R | 31.1 | Very low | 30.6 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | cis | -164 | 161.3 | -3.1 | -111.2 | 167.7 | 160.1 | 151.1 | -19.1 | 104.7 | ||||
| 451 | S | 32 | Very low | 30.8 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | cis | -175.2 | 158.6 | -13.3 | -159.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 452 | S | 33.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | -164.4 | 176.8 | 3.1 | -3.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 453 | R | 33.3 | Very low | 31 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | cis | -166.6 | 166.5 | 2.3 | -98.9 | 159.6 | -175.7 | -168.2 | 3 | 102.4 | ||||
| 454 | K | 33 | Very low | 31.2 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | cis | -174.1 | 166.2 | -14.5 | -112.5 | -162.1 | 163.9 | -166 | 0 | 104.4 | ||||
| 455 | S | 31.2 | Very low | 31.2 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 50% | 0.503 | 74% | 0.742 | S | S | . | * | cis | 173.7 | 155.9 | -33 | 56.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 456 | I | 34 | Very low | 31.3 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 86% | 0.862 | 74% | 0.741 | S | S | * | * | trans | 92 | 125.5 | 168.5 | -51.9 | 151 | 0 | 0 | 0 | 114.4 | ||||
| 457 | G | 34 | Very low | 31.3 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | cis | 164.5 | 161.4 | -16.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 458 | K | 29.1 | Very low | 31.1 | Very low | 203 Ų | 203 | 141 Ų | 141 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | 51.5 | 146.2 | 141.1 | -62.4 | 178.5 | 176.9 | -179.9 | 0 | 120.6 | ||||
| 459 | K | 27.9 | Very low | 30.9 | Very low | 199 Ų | 199 | 143.3 Ų | 143.3 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | cis | -167.4 | 174.3 | -16.8 | -115 | -146.7 | 170.1 | -164.9 | 0 | 108.3 | ||||
| 460 | P | 40.6 | Very low | 31.2 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | trans | -117.5 | -171 | -157.6 | 45.1 | -37.7 | 0 | 0 | 0 | 117.2 | ||||
| 461 | S | 31 | Very low | 31.3 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 78.9 | 110.6 | 144.8 | 69 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 462 | F | 29.3 | Very low | 31.1 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -167.8 | 158.8 | 145.6 | -144.3 | -107.1 | 0 | 0 | 0 | 108 | ||||
| 463 | V | 29.6 | Very low | 30.8 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 54% | 0.539 | 74% | 0.738 | S | S | . | * | -170.6 | 157.7 | -52.3 | 127.9 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 464 | D | 28.6 | Very low | 30.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | 62.2 | 144.1 | 177.5 | -59.3 | -31.2 | 0 | 0 | 0 | 117.4 | ||||
| 465 | G | 28.8 | Very low | 30.3 | Very low | 59 Ų | 59 | 135.6 Ų | 135.6 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | cis | 163.9 | 166.3 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 466 | L | 29.3 | Very low | 30.2 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | 67.1 | 145.3 | 165.5 | -57.8 | 174.8 | 0 | 0 | 0 | 117.1 | ||||
| 467 | T | 26.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 64% | 0.638 | 74% | 0.737 | S | S | * | * | cis | -172.6 | 148.8 | -34.6 | 15.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 468 | R | 26 | Very low | 30.8 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 67.1 | 156.9 | 164.3 | -61 | 162.7 | 83.4 | 135.4 | 18.7 | 114.3 | ||||
| 469 | E | 27.3 | Very low | 31.1 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -148.7 | 139.8 | -10.8 | -123.7 | 149.9 | -178.6 | 0 | 0 | 109 | ||||
| 470 | S | 39.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -81.3 | 138.3 | 158 | 52 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 471 | P | 32.7 | Very low | 30.8 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | trans | -145.1 | 126.3 | 135.8 | 33.4 | -17.1 | 0 | 0 | 0 | 114.6 | ||||
| 472 | D | 27.3 | Very low | 30.7 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | 50.7 | 176.6 | 120 | -57.3 | -33.1 | 0 | 0 | 0 | 123.1 | |||||
| 473 | Y | 27.2 | Very low | 30.6 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 79.1 | 119.8 | 172.6 | -52.1 | -82.9 | 0 | 0 | 0 | 115.3 | ||||
| 474 | N | 27.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | 72.1 | 149 | 44.5 | -62.4 | -43.8 | 0 | 0 | 0 | 114.1 | ||||
| 475 | H | 27.9 | Very low | 30.6 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 120.7 | -178.8 | -45.7 | -71 | 0 | 0 | 0 | 112.2 | ||||
| 476 | L | 29 | Very low | 30.7 | Very low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | cis | 71.2 | 97 | 18.8 | -114.4 | 175.7 | 0 | 0 | 0 | 113.8 | ||||
| 477 | S | 28.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 93.4 | 143.1 | 168.7 | -49.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 478 | P | 51.9 | Low | 31.4 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -95.1 | 173.8 | -174.4 | 40.4 | -38.5 | 0 | 0 | 0 | 114.2 | ||||
| 479 | P | 36.5 | Very low | 31.6 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | -145.2 | -152.5 | 102.4 | 41.4 | -24.8 | 0 | 0 | 0 | 114.6 | |||||
| 480 | A | 30.1 | Very low | 31.7 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -101.2 | -161.4 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 481 | E | 31.1 | Very low | 31.1 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | 77.2 | 116.6 | -175.5 | -55.3 | -178 | 167.2 | 0 | 0 | 113.6 | ||||
| 482 | E | 29.2 | Very low | 30.9 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | cis | 113.4 | 156.8 | 26.5 | -167.2 | -175.5 | -126.7 | 0 | 0 | 110.7 | ||||
| 483 | W | 28.1 | Very low | 30.9 | Very low | 218 Ų | 218 | 148.8 Ų | 148.8 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | 82.2 | 146.7 | 173.5 | -60 | 74.1 | 0 | 0 | 0 | 117.8 | ||||
| 484 | P | 30.1 | Very low | 31.2 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | cis | -130.7 | 173.3 | -21.1 | 36.6 | -19.5 | 0 | 0 | 0 | 115 | ||||
| 485 | K | 28.4 | Very low | 31.2 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -84.2 | 133.7 | 178.2 | -59 | 164.3 | -178 | 168.9 | 0 | 112.3 | ||||
| 486 | T | 30.9 | Very low | 31.4 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -141.9 | 148.1 | 156.1 | 50.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 487 | S | 28.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -169.2 | 177.2 | -178.3 | 67.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 488 | P | 41.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | cis | -120.1 | -139.6 | -39.8 | 35.5 | -17.9 | 0 | 0 | 0 | 109 | ||||
| 489 | R | 29.2 | Very low | 30.4 | Very low | 215 Ų | 215 | 143.5 Ų | 143.5 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 79.1 | 149.5 | 173.6 | -56.8 | -176 | -173.9 | 167 | 1.3 | 115.4 | ||||
| 490 | D | 29.3 | Very low | 29.9 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | cis | -167.1 | 157.9 | -15.8 | -97.3 | -26 | 0 | 0 | 0 | 107.1 | ||||
| 491 | S | 28.3 | Very low | 29.9 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -168.5 | -179.9 | -10.8 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 492 | C | 27.3 | Very low | 29.8 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 71.8 | 157.9 | 163.3 | -70 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 493 | R | 27.9 | Very low | 30 | Very low | 234 Ų | 234 | 142.4 Ų | 142.4 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | cis | -174.7 | 90.1 | -30.1 | -170.9 | -175.2 | -147.3 | -142.2 | 7.4 | 112.5 | ||||
| 494 | S | 32.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -171.5 | 140.6 | 156.2 | 44.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 495 | T | 28.8 | Very low | 30.2 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | trans | -103.6 | 170.2 | 165.2 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 496 | P | 31.2 | Very low | 30.3 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | cis | -136.8 | -172.4 | 15.2 | 42.1 | -23.2 | 0 | 0 | 0 | 116.7 | ||||
| 497 | S | 25.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | 62.6 | 120.7 | 157.5 | 54.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 498 | P | 32.6 | Very low | 30.6 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -88.8 | 121.4 | 162.3 | 33.6 | -29.1 | 0 | 0 | 0 | 112.4 | ||||
| 499 | I | 30.8 | Very low | 30.1 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -68.5 | 120.5 | 173.6 | -76.8 | 156 | 0 | 0 | 0 | 109.4 | ||||
| 500 | R | 26.5 | Very low | 30.1 | Very low | 193 Ų | 193 | 136 Ų | 136 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | 43.4 | 99 | 95.4 | -177 | 179.8 | 171.8 | 152 | -3.4 | 114.2 | E502 | R500-E502 HydrophobicContact CG-CG 4.46Å; R500-E502 IonicContact CZ-OE1 3.99Å; R500-E502 VanDerWaalsContact CZ-OE1 3.3Å; R500-E502 IonicContact NE-OE1 2.97Å; R500-E502 PolarHBondContact NE-OE1 2.96Å; R500-E502 IonicContact NH2-OE1 2.67Å; R500-E502 PolarHBondContact NH2-OE1 3.48Å | |||
| 501 | L | 29.4 | Very low | 30.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 59% | 0.586 | 74% | 0.743 | S | S | * | * | trans | -77.4 | 131.1 | 171.7 | -82.1 | 149.6 | 0 | 0 | 0 | 111.2 | I329 L332 | I329-L501 HydrophobicContact CD1-CD1 4.23Å; L332-L501 HydrophobicContact CB-CD2 4.16Å; L332-L501 HydrophobicContact CD1-CD1 3.69Å; L332-L501 HydrophobicContact CD1-CD2 4.18Å; L332-L501 HydrophobicContact CD1-CG 4.45Å; L332-L501 HydrophobicContact CG-CD1 3.98Å; L332-L501 HydrophobicContact CG-CD2 4.09Å | ||
| 502 | E | 29.6 | Very low | 30.4 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 64% | 0.64 | 74% | 0.744 | S | S | * | * | trans | -125.3 | 150 | 170.9 | -69.6 | -169.2 | 163.4 | 0 | 0 | 110.5 | R500 | R500-E502 HydrophobicContact CG-CG 4.46Å; R500-E502 IonicContact CZ-OE1 3.99Å; R500-E502 VanDerWaalsContact CZ-OE1 3.3Å; R500-E502 IonicContact NE-OE1 2.97Å; R500-E502 PolarHBondContact NE-OE1 2.96Å; R500-E502 IonicContact NH2-OE1 2.67Å; R500-E502 PolarHBondContact NH2-OE1 3.48Å | ||
| 503 | T | 32.5 | Very low | 30.7 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | -113.7 | 89.6 | -172.1 | -44.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 504 | I | 33.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 134 Ų | 134 | 57% | 0.569 | 74% | 0.738 | S | S | * | * | trans | 27 | 101.6 | 148.9 | -46.9 | 164.5 | 0 | 0 | 0 | 117.9 | R334 | R334-I504 PolarHBondContact NH2-O 3.28Š| ||
| 505 | S | 29.4 | Very low | 31 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | 178.1 | 122.9 | 111.7 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 506 | E | 31 | Very low | 31.2 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 95% | 0.949 | 72% | 0.723 | S | S | * | * | trans | 37.2 | 126.4 | 141.5 | -52.4 | -173.6 | 168.3 | 0 | 0 | 122.2 | ||||
| 507 | G | 31.8 | Very low | 31.4 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | trans | -177.8 | 14.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 508 | N | 32.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | 65 | 118.9 | 168.8 | -86.9 | -19.4 | 0 | 0 | 0 | 122.7 | ||||
| 509 | S | 31.9 | Very low | 31.8 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | trans | 73.7 | 112.2 | 130.4 | 68.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 510 | R | 29.6 | Very low | 31.9 | Very low | 229 Ų | 229 | 130 Ų | 130 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | 68 | 143 | 126.1 | -61.8 | -166.6 | 96.4 | 152.2 | 5.7 | 119.3 | |||||
| 511 | V | 32.2 | Very low | 32.2 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 53% | 0.527 | 74% | 0.737 | S | S | . | * | cis | -165 | 148.3 | 0.5 | 113.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 512 | E | 31 | Very low | 32.7 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 29.3 | 152.5 | 148.5 | -60.4 | 136.4 | -158.4 | 0 | 0 | 121.8 | ||||
| 513 | E | 33.5 | Very low | 32.8 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | cis | -167.8 | 157.9 | 1.7 | -119.2 | 166.9 | -171.5 | 0 | 0 | 111.6 | ||||
| 514 | D | 32.1 | Very low | 33.1 | Very low | 150 Ų | 150 | 125 Ų | 125 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 47.6 | 164.7 | 141.4 | -74.5 | 15.3 | 0 | 0 | 0 | 124 | ||||
| 515 | A | 34.7 | Very low | 33.4 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | cis | -179.9 | 168.1 | -22.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 516 | S | 33.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | -170.3 | -167 | -25.7 | 60.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 517 | V | 35.9 | Very low | 33.9 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | trans | 75.6 | 142.5 | 173.2 | -168.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 518 | G | 32.8 | Very low | 34 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | cis | 164.9 | 163.8 | -10 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 519 | G | 33.9 | Very low | 34 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | 87.4 | 163 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 520 | E | 33.4 | Very low | 33.9 | Very low | 184 Ų | 184 | 126.1 Ų | 126.1 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | cis | -170.2 | 116.5 | -24.6 | -135.2 | 180 | -172.1 | 0 | 0 | 113.2 | ||||
| 521 | S | 32.7 | Very low | 34.1 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 60.9 | -178.2 | 139.4 | -52.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 522 | P | 38.4 | Very low | 34 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -145.3 | 154.7 | -85.2 | 44.5 | -25.8 | 0 | 0 | 0 | 120.7 | |||||
| 523 | S | 31.3 | Very low | 34.1 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 76.6 | -179.1 | 136.3 | 85.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 524 | P | 39.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | -131 | -113.1 | -118.9 | 28.3 | 1.9 | 0 | 0 | 0 | 120.3 | |||||
| 525 | P | 39.4 | Very low | 34 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | -122 | -148.8 | -131.5 | 42.9 | -21.2 | 0 | 0 | 0 | 113.8 | ||||
| 526 | P | 39.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | cis | -143.9 | -166.7 | -7 | 42.6 | -21.1 | 0 | 0 | 0 | 118.3 | ||||
| 527 | R | 31.3 | Very low | 33.8 | Very low | 254 Ų | 254 | 124 Ų | 124 | 96% | 0.958 | 75% | 0.748 | S | S | * | * | trans | 94 | 141.2 | 149 | -80.4 | 175.7 | 176.4 | -173.8 | -0.3 | 124.3 | ||||
| 528 | G | 34.5 | Very low | 33.4 | Very low | 61 Ų | 61 | 126.3 Ų | 126.3 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | 151.4 | 112.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 529 | T | 33.2 | Very low | 33.4 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | 63.6 | 133.9 | 69.6 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 530 | S | 29.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | cis | 177.8 | 165 | -10.4 | 48.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 531 | A | 32.5 | Very low | 32.9 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | trans | 71.7 | 160.4 | 163 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 532 | S | 30.9 | Very low | 32.8 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | cis | -176.1 | 148.6 | -24.5 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 533 | D | 33.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | trans | 179.1 | 128.8 | 138.7 | -92.4 | -14 | 0 | 0 | 0 | 109.4 | ||||
| 534 | R | 33.2 | Very low | 32.3 | Very low | 192 Ų | 192 | 129 Ų | 129 | 73% | 0.725 | 72% | 0.717 | S | S | * | * | 79.8 | 145 | 86.1 | -68.2 | 172.5 | -171.6 | -115.1 | 6.9 | 114 | |||||
| 535 | E | 29.8 | Very low | 31.8 | Very low | 138 Ų | 138 | 130 Ų | 130 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | cis | -154.3 | 136.3 | -3.3 | -116 | 171.2 | 116.6 | 0 | 0 | 107.6 | ||||
| 536 | V | 32 | Very low | 31.3 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | 69.7 | 135 | 98.6 | 166.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 537 | Q | 32.4 | Very low | 30.9 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | cis | -158.7 | 137.5 | 38.3 | -151.7 | 148.7 | 75.7 | 0 | 0 | 116.4 | ||||
| 538 | R | 28.1 | Very low | 30.8 | Very low | 195 Ų | 195 | 125.8 Ų | 125.8 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | trans | 8.4 | 140.1 | 141.6 | -48 | 166.7 | -174.9 | 161.1 | 0.8 | 120.8 | ||||
| 539 | H | 33.2 | Very low | 30.7 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | 168.9 | 122.7 | 99.6 | -90.7 | -70.5 | 0 | 0 | 0 | 109.3 | |||||
| 540 | S | 28.3 | Very low | 30.5 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 58% | 0.58 | 70% | 0.704 | S | S | * | * | cis | 116.4 | 131.1 | 19.7 | 67.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 541 | S | 28.3 | Very low | 30.5 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | 73 | 153.5 | 157.7 | 91.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 542 | N | 29.3 | Very low | 30.2 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | cis | -166.9 | 170.9 | -0.5 | -131.9 | 8.7 | 0 | 0 | 0 | 111.1 | ||||
| 543 | V | 31.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | trans | 67.3 | 142 | 143.6 | 165 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 544 | D | 29.4 | Very low | 29.5 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | cis | -171.8 | 161.6 | -20.8 | -100.9 | -18.9 | 0 | 0 | 0 | 107.6 | ||||
| 545 | T | 29 | Very low | 29.1 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | trans | 61.5 | 162.8 | 153.6 | 53.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 546 | A | 28.7 | Very low | 28.9 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | cis | -167.7 | -169.8 | -30.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 547 | T | 31.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | trans | 62.8 | 89.5 | 150.5 | 41.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 548 | Q | 27.9 | Very low | 28.6 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | -13.9 | 162.9 | 106.3 | -108.4 | -169.5 | 54.2 | 0 | 0 | 116.7 | |||||
| 549 | P | 33.8 | Very low | 28.4 | Very low | 98 Ų | 98 | 129 Ų | 129 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | cis | -150.9 | 178.7 | 13.4 | 42.1 | -20.5 | 0 | 0 | 0 | 118.9 | ||||
| 550 | V | 28.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | 30.6 | 123.4 | 135.1 | 179 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 551 | R | 28.6 | Very low | 28.4 | Very low | 201 Ų | 201 | 129.5 Ų | 129.5 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | -168.8 | 131.9 | 122.4 | -104 | 127.5 | -152 | -126.7 | 1.9 | 110.8 | |||||
| 552 | R | 27.1 | Very low | 28.4 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | 63.8 | 144.6 | 81 | -66.6 | -166.7 | -172.8 | 171.4 | -1.7 | 113.8 | |||||
| 553 | T | 25 | Very low | 28.3 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | cis | -173.5 | 163.9 | -9.6 | 26.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 554 | S | 24.4 | Very low | 28.2 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 63.1 | 154.2 | 153 | 44.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 555 | S | 26.1 | Very low | 27.9 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -167.7 | 167.5 | -13.6 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 556 | S | 25.8 | Very low | 28 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | 55.2 | 104.7 | 142.9 | 63.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 557 | S | 26.3 | Very low | 27.8 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | 139.1 | 146.1 | 88.7 | 63.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 558 | R | 30.5 | Very low | 27.5 | Very low | 217 Ų | 217 | 136.3 Ų | 136.3 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | trans | 69.1 | 108.3 | 157.6 | -67.2 | 160.7 | -179.1 | 174.5 | -0 | 118.5 | ||||
| 559 | D | 25.2 | Very low | 27.3 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | 34.4 | 148.4 | 100.2 | -59.5 | -53.9 | 0 | 0 | 0 | 119.7 | |||||
| 560 | P | 33.7 | Very low | 26.9 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | cis | -137.6 | 170.1 | 17.4 | 43.7 | -27.5 | 0 | 0 | 0 | 117.1 | ||||
| 561 | T | 25.8 | Very low | 26.7 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | trans | 31 | 113.3 | 144.7 | 60.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 562 | G | 30.2 | Very low | 26.6 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | 174.1 | 109.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 563 | Q | 26.6 | Very low | 26.6 | Very low | 199 Ų | 199 | 126.4 Ų | 126.4 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | cis | 61.3 | 54.8 | 42.6 | -119 | -169.1 | -6.2 | 0 | 0 | 113.4 | ||||
| 564 | D | 28.9 | Very low | 26.7 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | -133.5 | 114.6 | 150.6 | -93.2 | -44 | 0 | 0 | 0 | 109.4 | ||||
| 565 | N | 23.3 | Very low | 26.8 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | -81.2 | 147.9 | 160.2 | -64.8 | -29.6 | 0 | 0 | 0 | 107.4 | I567 | N565-I567 HydrophobicContact CB-CD1 4.25Å; N565-I567 HydrophobicContact CB-CG1 3.51Å; N565-I567 WeakPolarHBondContact O-CG1 3.37Å | ||
| 566 | P | 30.5 | Very low | 26.8 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | -86.1 | 116.6 | 126.3 | 31.1 | -22.8 | 0 | 0 | 0 | 106.5 | F568 | P566-F568 VanDerWaalsContact C-N 3.26Å; P566-F568 HydrophobicContact CB-CD2 4.15Å; P566-F568 HydrophobicContact CB-CE2 4.3Å | |||
| 567 | I | 24.1 | Very low | 27.1 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | cis | 33.3 | 58.1 | 33.7 | -1.6 | 176.4 | 0 | 0 | 0 | 112.6 | N565 V569 | N565-I567 HydrophobicContact CB-CD1 4.25Å; N565-I567 HydrophobicContact CB-CG1 3.51Å; N565-I567 WeakPolarHBondContact O-CG1 3.37Å; I567-V569 HydrophobicContact CB-CG2 4.16Å; I567-V569 HydrophobicContact CG2-CG2 3.63Å; I567-V569 WeakPolarHBondContact O-CG2 3.2Å | ||
| 568 | F | 25.8 | Very low | 27.3 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | -81.8 | 109.7 | 112.3 | -65.9 | -81.3 | 0 | 0 | 0 | 104.7 | P566 | P566-F568 VanDerWaalsContact C-N 3.26Å; P566-F568 HydrophobicContact CB-CD2 4.15Å; P566-F568 HydrophobicContact CB-CE2 4.3Å | |||
| 569 | V | 24 | Very low | 27.7 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 45% | 0.448 | 71% | 0.713 | S | S | . | * | 49.9 | 94.7 | 53.3 | -165.1 | 0 | 0 | 0 | 0 | 105.8 | I567 E571 | I567-V569 HydrophobicContact CB-CG2 4.16Å; I567-V569 HydrophobicContact CG2-CG2 3.63Å; I567-V569 WeakPolarHBondContact O-CG2 3.2Å; V569-E571 HydrophobicContact CG1-CG 3.99Å; V569-E571 PolarHBondContact O-N 3.34Å | |||
| 570 | V | 25.4 | Very low | 28.7 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | 43.7 | 42.5 | 53.4 | -161.3 | 0 | 0 | 0 | 0 | 109.7 | D572 | V570-D572 HydrophobicContact CG1-CB 4.07Å; V570-D572 WeakPolarHBondContact CG1-OD2 3.5Å | |||
| 571 | E | 24.2 | Very low | 29.8 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 59% | 0.589 | 67% | 0.673 | S | S | * | * | -80.7 | 116 | 130 | -55.3 | -170.8 | 113.2 | 0 | 0 | 103.1 | V569 Q573 | V569-E571 HydrophobicContact CG1-CG 3.99Å; V569-E571 PolarHBondContact O-N 3.34Å; E571-Q573 HydrophobicContact CB-CB 4.48Å; E571-Q573 HydrophobicContact CB-CG 4.28Å; E571-Q573 PolarHBondContact OE1-NE2 2.75Å | |||
| 572 | D | 25.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | cis | 48.8 | 25.5 | 9.3 | -65.4 | 20.6 | 0 | 0 | 0 | 114.1 | V570 | V570-D572 HydrophobicContact CG1-CB 4.07Å; V570-D572 WeakPolarHBondContact CG1-OD2 3.5Å | ||
| 573 | Q | 26.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | -97.1 | 108.2 | 121.7 | -59.5 | -177.7 | 56.1 | 0 | 0 | 101.6 | E571 D575 | E571-Q573 HydrophobicContact CB-CB 4.48Å; E571-Q573 HydrophobicContact CB-CG 4.28Å; E571-Q573 PolarHBondContact OE1-NE2 2.75Å; Q573-D575 PolarHBondContact O-N 3.47Å | |||
| 574 | D | 27.5 | Very low | 36.9 | Very low | 152 Ų | 152 | 108.1 Ų | 108.1 | 81% | 0.813 | 57% | 0.571 | S | S | * | * | cis | 53.9 | 11.2 | 41.5 | -107.7 | 25.3 | 0 | 0 | 0 | 112.7 | V576 | D574-V576 PolarHBondContact O-N 3.21Š| ||
| 575 | D | 26.1 | Very low | 39.7 | Very low | 128 Ų | 128 | 103.7 Ų | 103.7 | 68% | 0.684 | 55% | 0.547 | S | S | * | . | trans | -63.8 | 88.4 | 146.3 | -94.8 | -19.2 | 0 | 0 | 0 | 107.3 | Q573 F577 | Q573-D575 PolarHBondContact O-N 3.47Å; D575-F577 PolarHBondContact O-N 2.88Å | ||
| 576 | V | 28 | Very low | 42.8 | Very low | 109 Ų | 109 | 101.2 Ų | 101.2 | 66% | 0.661 | 53% | 0.533 | S | S | * | . | trans | -44.4 | 115.3 | 168.4 | 174.9 | 0 | 0 | 0 | 0 | 108 | D574 L578 | D574-V576 PolarHBondContact O-N 3.21Å; V576-L578 HydrophobicContact CG1-CD2 4.18Å; V576-L578 PolarHBondContact O-N 3.19Å | ||
| 577 | F | 31.5 | Very low | 45.5 | Very low | 211 Ų | 211 | 102.2 Ų | 102.2 | 93% | 0.925 | 53% | 0.527 | S | S | * | . | trans | -64 | 86.5 | 171.1 | -95.1 | -99 | 0 | 0 | 0 | 108.8 | D575 | D575-F577 PolarHBondContact O-N 2.88Š| ||
| 578 | L | 29.2 | Very low | 48.5 | Very low | 112 Ų | 112 | 101.7 Ų | 101.7 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | trans | -60.9 | 141.7 | 168.5 | -65.4 | 173.9 | 0 | 0 | 0 | 107.7 | V576 S580 | V576-L578 HydrophobicContact CG1-CD2 4.18Å; V576-L578 PolarHBondContact O-N 3.19Å; L578-S580 PolarHBondContact O-N 3.36Å | ||
| 579 | P | 38.8 | Very low | 51.5 | Low | 107 Ų | 107 | 97.2 Ų | 97.2 | 70% | 0.695 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -56.2 | 141.6 | -176.3 | 24.5 | -35 | 0 | 0 | 0 | 110.6 | Q581 | P579-Q581 WeakPolarHBondContact O-CG 3.48Å; P579-Q581 PolarHBondContact O-N 2.68Å |
| 580 | S | 46.4 | Very low | 54.3 | Low | 47 Ų | 47 | 97.1 Ų | 97.1 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | trans | -32.7 | 119 | -173 | 38.1 | 0 | 0 | 0 | 0 | 113.7 | L578 E604 I713 | L578-S580 PolarHBondContact O-N 3.36Å; S580-E604 VanDerWaalsContact CA-OE1 3.27Å; S580-E604 WeakPolarHBondContact CA-OE1 3.43Å; S580-E604 WeakPolarHBondContact CB-OE1 3.33Å; S580-I713 WeakPolarHBondContact O-CG2 3.26Å | ||
| 581 | Q | 58.1 | Low | 56.9 | Low | 69 Ų | 69 | 97.4 Ų | 97.4 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | trans | -112.9 | 104.3 | -177.9 | -54.2 | -169.3 | 41.3 | 0 | 0 | 107.8 | P579 E603 E604 | P579-Q581 WeakPolarHBondContact O-CG 3.48Å; P579-Q581 PolarHBondContact O-N 2.68Å; Q581-E603 WeakPolarHBondContact CB-OE2 3.48Å; Q581-E604 PolarHBondContact N-OE1 2.71Å | ||
| 582 | A | 65.9 | Low | 59.3 | Low | 7 Ų | 7 | 101.6 Ų | 101.6 | 6% | 0.058 | 51% | 0.512 | C | S | . | . | trans | -67.8 | 159.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K584 A710 I713 | A582-K584 PolarHBondContact O-N 3.41Å; A582-K584 VanDerWaalsContact O-N 3.17Å; A582-A710 WeakPolarHBondContact CB-O 3.33Å; A582-I713 HydrophobicContact CB-CB 4.41Å; A582-I713 HydrophobicContact CB-CG1 3.64Å | ||
| 583 | M | 81.6 | Confident | 61.3 | Low | 2 Ų | 2 | 102.3 Ų | 102.3 | 1% | 0.01 | 52% | 0.516 | C | S | . | . | trans | -42.3 | 119.5 | -176.9 | -167.1 | -170.6 | -74.2 | 0 | 0 | 113 | L585 L600 L601 D607 H610 A611 A710 C711 | M583-L585 PolarHBondContact O-N 3.14Å; M583-L600 HydrophobicContact CG-CB 4.35Å; M583-L600 HydrophobicContact SD-CB 3.81Å; M583-L600 HydrophobicContact SD-CD1 3.69Å; M583-L600 HydrophobicContact SD-CD2 3.78Å; M583-L600 HydrophobicContact SD-CG 3.93Å; M583-L601 WeakPolarHBondContact CG-O 3.39Å; M583-D607 WeakPolarHBondContact CA-OD2 2.9Å; M583-D607 HydrophobicContact CB-CB 4.17Å; M583-D607 HydrophobicContact CE-CB 3.63Å; M583-D607 WeakPolarHBondContact CE-O 3.29Å; M583-D607 HydrophobicContact CG-CB 4.38Å; M583-D607 PolarHBondContact N-OD1 2.85Å; M583-D607 PolarHBondContact N-OD2 2.81Å; M583-H610 HydrophobicContact CE-CB 3.75Å; M583-A611 HydrophobicContact CE-CB 4.48Å; M583-A710 HydrophobicContact CB-CB 3.99Å; M583-A710 WeakPolarHBondContact CB-O 3.26Å; M583-A710 HydrophobicContact CE-CB 4.12Å; M583-A710 PolarHBondContact N-O 3.03Å; M583-A710 HydrophobicContact SD-CB 4.03Å; M583-C711 PolarHBondContact O-SG 3.07Å | ||
| 584 | K | 84.3 | Confident | 63.6 | Low | 73 Ų | 73 | 97.5 Ų | 97.5 | 32% | 0.317 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 112.4 | 179.3 | -69.1 | -167.5 | -179.6 | 76.6 | 0 | 111.7 | A582 L586 L601 E603 | A582-K584 PolarHBondContact O-N 3.41Å; A582-K584 VanDerWaalsContact O-N 3.17Å; K584-L586 HydrophobicContact CB-CD2 4.36Å; K584-L586 PolarHBondContact O-N 3.46Å; K584-L586 VanDerWaalsContact O-N 3.16Å; K584-L601 HydrophobicContact CB-CB 4.18Å; K584-L601 HydrophobicContact CB-CD2 4.43Å; K584-L601 PolarHBondContact N-O 3.12Å; K584-L601 PolarHBondContact O-N 3.1Å; K584-E603 WeakPolarHBondContact CD-OE1 3.48Å; K584-E603 IonicContact NZ-OE1 3.71Å; K584-E603 PolarHBondContact NZ-OE1 3.07Å; K584-E603 IonicContact NZ-OE2 3.16Å; K584-E603 PolarHBondContact NZ-OE2 3.41Å |
| 585 | L | 87.1 | Confident | 66.2 | Low | 63 Ų | 63 | 91.6 Ų | 91.6 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 105 | 165 | 175.3 | 59.3 | 0 | 0 | 0 | 110.5 | M583 K587 K588 V598 L600 I707 | M583-L585 PolarHBondContact O-N 3.14Å; L585-K587 WeakPolarHBondContact CD1-O 3.33Å; L585-K588 HydrophobicContact CD1-CB 4.24Å; L585-K588 HydrophobicContact CD2-CD 3.98Å; L585-K588 HydrophobicContact CD2-CG 4.2Å; L585-V598 HydrophobicContact CD1-CG1 3.43Å; L585-V598 VanDerWaalsContact CD1-CG1 3.43Å; L585-L600 HydrophobicContact CB-CD2 4.47Å; L585-L600 HydrophobicContact CD1-CD2 3.91Å; L585-I707 HydrophobicContact CD2-CG2 4.5Å |
| 586 | L | 87.6 | Confident | 69.2 | Low | 80 Ų | 80 | 86.2 Ų | 86.2 | 42% | 0.419 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -35.1 | -178.8 | -62.3 | -174.8 | 0 | 0 | 0 | 113.1 | K584 T599 L601 K691 | K584-L586 HydrophobicContact CB-CD2 4.36Å; K584-L586 PolarHBondContact O-N 3.46Å; K584-L586 VanDerWaalsContact O-N 3.16Å; L586-T599 HydrophobicContact CB-CG2 4Å; L586-T599 HydrophobicContact CD1-CG2 4.13Å; L586-T599 PolarHBondContact N-O 2.77Å; L586-L601 HydrophobicContact CD1-CB 3.96Å; L586-L601 HydrophobicContact CD2-CB 4.34Å; L586-L601 HydrophobicContact CD2-CD2 4.44Å; L586-L601 HydrophobicContact CG-CB 4Å; L586-K691 HydrophobicContact CD1-CB 3.69Å; L586-K691 HydrophobicContact CD1-CD 3.84Å; L586-K691 HydrophobicContact CD1-CG 4.41Å |
| 587 | K | 87.7 | Confident | 72.2 | Confident | 125 Ų | 125 | 83.8 Ų | 83.8 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 142.1 | 175.3 | -66.2 | -167.9 | 172.3 | -165.3 | 0 | 110.3 | L585 Y597 V598 T599 | L585-K587 WeakPolarHBondContact CD1-O 3.33Å; K587-Y597 HydrophobicContact CB-CE2 4.3Å; K587-Y597 HydrophobicContact CD-CE2 4.39Å; K587-V598 CarbonylContact O-C 3.56Å; K587-V598 WeakPolarHBondContact O-CA 3.45Å; K587-T599 PolarHBondContact N-O 3.41Å; K587-T599 PolarHBondContact O-N 3.37Å |
| 588 | K | 87.5 | Confident | 75.1 | Confident | 108 Ų | 108 | 73.8 Ų | 73.8 | 47% | 0.47 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.3 | 157.1 | 56.2 | 177.7 | 173.7 | -174.6 | 0 | 109.3 | L585 F590 V598 E708 | L585-K588 HydrophobicContact CD1-CB 4.24Å; L585-K588 HydrophobicContact CD2-CD 3.98Å; L585-K588 HydrophobicContact CD2-CG 4.2Å; K588-F590 HydrophobicContact CB-CE1 4.46Å; K588-F590 HydrophobicContact CB-CE2 4.26Å; K588-F590 HydrophobicContact CB-CZ 4.04Å; K588-F590 HydrophobicContact CD-CE2 3.85Å; K588-F590 HydrophobicContact CD-CZ 4.24Å; K588-V598 HydrophobicContact CB-CG2 4.25Å; K588-E708 IonicContact NZ-OE1 2.75Å |
| 589 | D | 88.3 | Confident | 78.1 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 117.7 | -179.6 | -149.6 | -5.5 | 0 | 0 | 0 | 106.6 | G596 Y597 | D589-G596 CarbonylContact O-C 3.55Å; D589-G596 VanDerWaalsContact O-CA 3.24Å; D589-G596 WeakPolarHBondContact O-CA 3.43Å; D589-Y597 HydrophobicContact CB-CD1 3.83Å; D589-Y597 HydrophobicContact CB-CE1 3.26Å; D589-Y597 HydrophobicContact CB-CE2 4.11Å; D589-Y597 HydrophobicContact CB-CG 4.43Å; D589-Y597 WeakPolarHBondContact CB-OH 3.35Å; D589-Y597 PolarHBondContact N-O 3.14Å; D589-Y597 PolarHBondContact O-N 3.12Å; D589-Y597 WeakPolarHBondContact OD2-CE1 3.35Å; D589-Y597 VanDerWaalsContact OD2-CZ 3.32Å; D589-Y597 PolarHBondContact OD2-OH 3.03Å |
| 590 | F | 84.2 | Confident | 80.6 | Confident | 72 Ų | 72 | 64 Ų | 64 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.9 | -173.4 | -57.2 | -42.8 | 0 | 0 | 0 | 109.3 | K588 V598 W699 | K588-F590 HydrophobicContact CB-CE1 4.46Å; K588-F590 HydrophobicContact CB-CE2 4.26Å; K588-F590 HydrophobicContact CB-CZ 4.04Å; K588-F590 HydrophobicContact CD-CE2 3.85Å; K588-F590 HydrophobicContact CD-CZ 4.24Å; F590-V598 HydrophobicContact CE1-CG2 3.56Å; F590-V598 HydrophobicContact CZ-CG2 3.79Å; F590-W699 HydrophobicContact CD1-CB 4.25Å; F590-W699 AromaticContact CD1-CD1 3.64Å; F590-W699 AromaticContact CD1-CG 3.94Å; F590-W699 HydrophobicContact CD1-CG 3.94Å; F590-W699 HydrophobicContact CE1-CB 3.87Å; F590-W699 AromaticContact CE1-CD1 3.47Å; F590-W699 VanDerWaalsContact CE1-CD1 3.47Å; F590-W699 AromaticContact CE1-CD2 3.8Å; F590-W699 HydrophobicContact CE1-CD2 3.8Å; F590-W699 AromaticContact CE1-CG 3.43Å; F590-W699 HydrophobicContact CE1-CG 3.43Å; F590-W699 VanDerWaalsContact CE1-CG 3.43Å; F590-W699 AromaticContact CE1-NE1 3.85Å; F590-W699 HydrophobicContact CZ-CB 4.27Å; F590-W699 HydrophobicContact CZ-CD2 4.39Å; F590-W699 HydrophobicContact CZ-CG 4.16Å |
| 591 | D | 79.3 | Confident | 82.7 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | trans | -69.8 | 163.8 | 168.6 | -76.5 | -53.2 | 0 | 0 | 0 | 110.6 | D593 G594 A595 | D591-D593 PolarHBondContact O-N 3.49Å; D591-G594 PolarHBondContact O-N 2.93Å; D591-A595 PolarHBondContact N-O 3.14Å | ||
| 592 | K | 74.3 | Confident | 84.1 | Confident | 214 Ų | 214 | 59.8 Ų | 59.8 | 93% | 0.93 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.2 | -179.8 | -67.6 | -176.4 | 177.8 | -178.7 | 0 | 113.9 | G594 | K592-G594 VanDerWaalsContact C-N 3.3Š|
| 593 | D | 68.1 | Low | 84.9 | Confident | 145 Ų | 145 | 61.1 Ų | 61.1 | 78% | 0.775 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 8.5 | -177.9 | -48.7 | -40.8 | 0 | 0 | 0 | 112.1 | D591 A595 | D591-D593 PolarHBondContact O-N 3.49Å; D593-A595 PolarHBondContact O-N 2.89Å |
| 594 | G | 74.1 | Confident | 84.5 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 80.6 | -13.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D591 K592 C698 W699 | D591-G594 PolarHBondContact O-N 2.93Å; K592-G594 VanDerWaalsContact C-N 3.3Å; G594-C698 CarbonylContact O-C 3.54Å; G594-C698 WeakPolarHBondContact O-CA 3.26Å; G594-W699 PolarHBondContact O-N 2.9Å |
| 595 | A | 82.2 | Confident | 83.9 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | trans | -61 | 147.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D591 D593 S697 | D591-A595 PolarHBondContact N-O 3.14Å; D593-A595 PolarHBondContact O-N 2.89Å; A595-S697 VanDerWaalsContact CA-O 3.28Å; A595-S697 WeakPolarHBondContact CA-O 3.32Å; A595-S697 WeakPolarHBondContact CB-O 3.23Å; A595-S697 PolarHBondContact N-O 2.91Å | ||
| 596 | G | 88.6 | Confident | 83.1 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.2 | -168.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D589 K696 W699 | D589-G596 CarbonylContact O-C 3.55Å; D589-G596 VanDerWaalsContact O-CA 3.24Å; D589-G596 WeakPolarHBondContact O-CA 3.43Å; G596-K696 PolarHBondContact N-O 3.29Å; G596-K696 PolarHBondContact O-N 3.07Å; G596-W699 VanDerWaalsContact C-NE1 3.29Å; G596-W699 PolarHBondContact O-NE1 3.38Å |
| 597 | Y | 91.5 | Very high | 82.9 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.8 | -178.9 | 72.6 | -89.8 | 0 | 0 | 0 | 113.6 | K587 D589 T693 I694 Y695 | K587-Y597 HydrophobicContact CB-CE2 4.3Å; K587-Y597 HydrophobicContact CD-CE2 4.39Å; D589-Y597 HydrophobicContact CB-CD1 3.83Å; D589-Y597 HydrophobicContact CB-CE1 3.26Å; D589-Y597 HydrophobicContact CB-CE2 4.11Å; D589-Y597 HydrophobicContact CB-CG 4.43Å; D589-Y597 WeakPolarHBondContact CB-OH 3.35Å; D589-Y597 PolarHBondContact N-O 3.14Å; D589-Y597 PolarHBondContact O-N 3.12Å; D589-Y597 WeakPolarHBondContact OD2-CE1 3.35Å; D589-Y597 VanDerWaalsContact OD2-CZ 3.32Å; D589-Y597 PolarHBondContact OD2-OH 3.03Å; Y597-T693 HydrophobicContact CD2-CG2 3.77Å; Y597-T693 HydrophobicContact CG-CG2 4.28Å; Y597-I694 VanDerWaalsContact CA-O 3.23Å; Y597-I694 WeakPolarHBondContact CA-O 3.41Å; Y597-I694 WeakPolarHBondContact CB-O 3.47Å; Y597-Y695 VanDerWaalsContact CB-CD1 3.42Å; Y597-Y695 HydrophobicContact CD1-CD1 4.46Å; Y597-Y695 HydrophobicContact CD1-CE1 4.12Å; Y597-Y695 HydrophobicContact CG-CD1 4.16Å; Y597-Y695 AromaticContact CG-CE1 3.86Å; Y597-Y695 HydrophobicContact CG-CE1 3.86Å |
| 598 | V | 92.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 123 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | L585 K587 K588 F590 L600 T693 I694 W699 I707 | L585-V598 HydrophobicContact CD1-CG1 3.43Å; L585-V598 VanDerWaalsContact CD1-CG1 3.43Å; K587-V598 CarbonylContact O-C 3.56Å; K587-V598 WeakPolarHBondContact O-CA 3.45Å; K588-V598 HydrophobicContact CB-CG2 4.25Å; F590-V598 HydrophobicContact CE1-CG2 3.56Å; F590-V598 HydrophobicContact CZ-CG2 3.79Å; V598-L600 HydrophobicContact CG1-CD1 4.33Å; V598-L600 HydrophobicContact CG1-CD2 3.57Å; V598-L600 HydrophobicContact CG1-CG 3.79Å; V598-T693 WeakPolarHBondContact O-CA 3.45Å; V598-I694 PolarHBondContact N-O 2.9Å; V598-I694 PolarHBondContact O-N 2.79Å; V598-W699 HydrophobicContact CB-CH2 3.8Å; V598-W699 HydrophobicContact CB-CZ2 3.85Å; V598-W699 HydrophobicContact CB-CZ3 4.43Å; V598-W699 HydrophobicContact CG2-CD2 3.99Å; V598-W699 HydrophobicContact CG2-CE3 4.07Å; V598-W699 HydrophobicContact CG2-CH2 3.6Å; V598-W699 HydrophobicContact CG2-CZ2 3.48Å; V598-W699 VanDerWaalsContact CG2-CZ2 3.48Å; V598-W699 HydrophobicContact CG2-CZ3 3.9Å; V598-I707 HydrophobicContact CG1-CD1 4.11Å; V598-I707 HydrophobicContact CG2-CD1 4.19Å |
| 599 | T | 92.7 | Very high | 82.3 | Confident | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.4 | 171.6 | -55.7 | 0 | 0 | 0 | 0 | 109 | L586 K587 K691 F692 T693 | L586-T599 HydrophobicContact CB-CG2 4Å; L586-T599 HydrophobicContact CD1-CG2 4.13Å; L586-T599 PolarHBondContact N-O 2.77Å; K587-T599 PolarHBondContact N-O 3.41Å; K587-T599 PolarHBondContact O-N 3.37Å; T599-K691 HydrophobicContact CG2-CB 4.29Å; T599-F692 VanDerWaalsContact CA-O 3.32Å; T599-F692 WeakPolarHBondContact CA-O 3.25Å; T599-F692 WeakPolarHBondContact CG2-O 3.35Å; T599-T693 WeakPolarHBondContact CG2-OG1 3.28Å; T599-T693 WeakPolarHBondContact OG1-CG2 3.44Å; T599-T693 PolarHBondContact OG1-OG1 3.47Å |
| 600 | L | 91.6 | Very high | 82 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 146.5 | -177.6 | -60.7 | 170.1 | 0 | 0 | 0 | 109.7 | M583 L585 V598 L614 K691 F692 I694 I707 | M583-L600 HydrophobicContact CG-CB 4.35Å; M583-L600 HydrophobicContact SD-CB 3.81Å; M583-L600 HydrophobicContact SD-CD1 3.69Å; M583-L600 HydrophobicContact SD-CD2 3.78Å; M583-L600 HydrophobicContact SD-CG 3.93Å; L585-L600 HydrophobicContact CB-CD2 4.47Å; L585-L600 HydrophobicContact CD1-CD2 3.91Å; V598-L600 HydrophobicContact CG1-CD1 4.33Å; V598-L600 HydrophobicContact CG1-CD2 3.57Å; V598-L600 HydrophobicContact CG1-CG 3.79Å; L600-L614 HydrophobicContact CD1-CD1 3.8Å; L600-K691 CarbonylContact O-C 3.59Å; L600-K691 WeakPolarHBondContact O-CA 3.38Å; L600-F692 HydrophobicContact CB-CE1 4.27Å; L600-F692 HydrophobicContact CB-CE2 3.98Å; L600-F692 HydrophobicContact CB-CZ 3.78Å; L600-F692 HydrophobicContact CD1-CE2 3.97Å; L600-F692 HydrophobicContact CD1-CZ 4.07Å; L600-F692 HydrophobicContact CG-CE2 4.44Å; L600-F692 PolarHBondContact N-O 3.5Å; L600-F692 PolarHBondContact O-N 3.28Å; L600-I694 HydrophobicContact CD1-CD1 4.32Å; L600-I707 HydrophobicContact CD2-CG2 4.34Å |
| 601 | L | 90.6 | Very high | 82.1 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 108 | 170.2 | 175 | 66 | 0 | 0 | 0 | 107.9 | M583 K584 L586 E603 N689 K691 | M583-L601 WeakPolarHBondContact CG-O 3.39Å; K584-L601 HydrophobicContact CB-CB 4.18Å; K584-L601 HydrophobicContact CB-CD2 4.43Å; K584-L601 PolarHBondContact N-O 3.12Å; K584-L601 PolarHBondContact O-N 3.1Å; L586-L601 HydrophobicContact CD1-CB 3.96Å; L586-L601 HydrophobicContact CD2-CB 4.34Å; L586-L601 HydrophobicContact CD2-CD2 4.44Å; L586-L601 HydrophobicContact CG-CB 4Å; L601-E603 HydrophobicContact CD2-CG 4.44Å; L601-E603 WeakPolarHBondContact CD2-OE1 3.38Å; L601-E603 HydrophobicContact CG-CG 4.08Å; L601-N689 VanDerWaalsContact CD1-C 3.48Å; L601-K691 HydrophobicContact CB-CB 4.49Å; L601-K691 HydrophobicContact CD1-CB 4.3Å |
| 602 | P | 87.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -79.4 | 138.2 | 174.2 | 34.8 | -33.9 | 0 | 0 | 0 | 109.4 | D607 M608 L688 N689 R690 F692 | P602-D607 WeakPolarHBondContact CA-OD2 3.16Å; P602-D607 HydrophobicContact CB-CB 3.67Å; P602-M608 HydrophobicContact CB-CE 3.38Å; P602-M608 HydrophobicContact CG-CE 3.39Å; P602-L688 HydrophobicContact CB-CD2 4.28Å; P602-N689 WeakPolarHBondContact O-CA 3.27Å; P602-N689 PolarHBondContact O-N 3.43Å; P602-R690 VanDerWaalsContact CD-O 3.29Å; P602-R690 WeakPolarHBondContact CD-O 3.34Å; P602-F692 HydrophobicContact CB-CE1 4.42Å; P602-F692 HydrophobicContact CG-CD1 4.26Å; P602-F692 HydrophobicContact CG-CE1 3.84Å | ||
| 603 | E | 82.2 | Confident | 82.7 | Confident | 34 Ų | 34 | 24.9 Ų | 24.9 | 16% | 0.159 | 14% | 0.136 | C | C | . | . | trans | -128.8 | -30.5 | -177.1 | -62 | -177.4 | 159.1 | 0 | 0 | 110.9 | Q581 K584 L601 D607 | Q581-E603 WeakPolarHBondContact CB-OE2 3.48Å; K584-E603 WeakPolarHBondContact CD-OE1 3.48Å; K584-E603 IonicContact NZ-OE1 3.71Å; K584-E603 PolarHBondContact NZ-OE1 3.07Å; K584-E603 IonicContact NZ-OE2 3.16Å; K584-E603 PolarHBondContact NZ-OE2 3.41Å; L601-E603 HydrophobicContact CD2-CG 4.44Å; L601-E603 WeakPolarHBondContact CD2-OE1 3.38Å; L601-E603 HydrophobicContact CG-CG 4.08Å; E603-D607 PolarHBondContact N-OD2 2.91Å | ||
| 604 | E | 72.6 | Confident | 83.6 | Confident | 57 Ų | 57 | 18 Ų | 18 | 27% | 0.266 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -109.8 | 161.8 | 172.4 | -71.8 | -161.3 | -155.5 | 0 | 0 | 114.1 | S580 Q581 E606 D607 L688 | S580-E604 VanDerWaalsContact CA-OE1 3.27Å; S580-E604 WeakPolarHBondContact CA-OE1 3.43Å; S580-E604 WeakPolarHBondContact CB-OE1 3.33Å; Q581-E604 PolarHBondContact N-OE1 2.71Å; E604-E606 VanDerWaalsContact C-N 3.25Å; E604-E606 PolarHBondContact O-N 2.87Å; E604-D607 PolarHBondContact N-OD2 2.83Å; E604-D607 VanDerWaalsContact O-CB 3.24Å; E604-D607 WeakPolarHBondContact O-CB 3.29Å; E604-D607 PolarHBondContact O-N 3.26Å; E604-D607 VanDerWaalsContact O-N 3.16Å; E604-L688 VanDerWaalsContact O-CD2 3.25Å; E604-L688 WeakPolarHBondContact O-CD2 3.2Å |
| 605 | T | 71.7 | Confident | 84.3 | Confident | 40 Ų | 40 | 17.1 Ų | 17.1 | 25% | 0.245 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.6 | -20.4 | 178.5 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | D607 L688 | T605-D607 VanDerWaalsContact C-N 3.35Å; T605-L688 HydrophobicContact CG2-CD1 4.07Å |
| 606 | E | 71.4 | Confident | 84.4 | Confident | 7 Ų | 7 | 16.7 Ų | 16.7 | 3% | 0.033 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.5 | -32 | 173 | -169 | 163.9 | -153 | 0 | 0 | 111.1 | E604 M608 W609 H610 H716 T735 S737 M738 | E604-E606 VanDerWaalsContact C-N 3.25Å; E604-E606 PolarHBondContact O-N 2.87Å; E606-M608 PolarHBondContact O-N 2.84Å; E606-M608 VanDerWaalsContact O-N 3.12Å; E606-W609 WeakPolarHBondContact O-CA 3.48Å; E606-W609 WeakPolarHBondContact O-CB 3.3Å; E606-W609 PolarHBondContact O-N 3.01Å; E606-H610 PolarHBondContact O-CD2 2.88Å; E606-H610 PolarHBondContact O-N 2.85Å; E606-H610 VanDerWaalsContact O-N 3.16Å; E606-H716 IonicContact OE2-CE1 2.67Å; E606-H716 IonicContact OE2-CG 3.86Å; E606-H716 IonicContact OE2-ND1 3.1Å; E606-H716 PolarHBondContact OE2-ND1 2.83Å; E606-T735 PolarHBondContact OE1-OG1 3.38Å; E606-S737 WeakPolarHBondContact OE1-CB 3.49Å; E606-S737 PolarHBondContact OE1-OG 2.62Å; E606-M738 HydrophobicContact CB-CE 4.05Å; E606-M738 HydrophobicContact CG-CE 4.03Å |
| 607 | D | 81.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.4 | -28.9 | 176.8 | -59.1 | -18.2 | 0 | 0 | 0 | 112.9 | M583 P602 E603 E604 T605 W609 H610 A611 | M583-D607 WeakPolarHBondContact CA-OD2 2.9Å; M583-D607 HydrophobicContact CB-CB 4.17Å; M583-D607 HydrophobicContact CE-CB 3.63Å; M583-D607 WeakPolarHBondContact CE-O 3.29Å; M583-D607 HydrophobicContact CG-CB 4.38Å; M583-D607 PolarHBondContact N-OD1 2.85Å; M583-D607 PolarHBondContact N-OD2 2.81Å; P602-D607 WeakPolarHBondContact CA-OD2 3.16Å; P602-D607 HydrophobicContact CB-CB 3.67Å; E603-D607 PolarHBondContact N-OD2 2.91Å; E604-D607 PolarHBondContact N-OD2 2.83Å; E604-D607 VanDerWaalsContact O-CB 3.24Å; E604-D607 WeakPolarHBondContact O-CB 3.29Å; E604-D607 PolarHBondContact O-N 3.26Å; E604-D607 VanDerWaalsContact O-N 3.16Å; T605-D607 VanDerWaalsContact C-N 3.35Å; D607-W609 VanDerWaalsContact C-N 3.34Å; D607-H610 PolarHBondContact O-N 3.19Å; D607-A611 VanDerWaalsContact O-CB 3.29Å; D607-A611 WeakPolarHBondContact O-CB 3.37Å; D607-A611 PolarHBondContact O-N 2.91Å |
| 608 | M | 83.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.4 | -30 | 174.2 | -70.6 | -73.8 | 106.1 | 0 | 0 | 112.5 | P602 E606 A611 Y612 F656 G661 L663 L686 L688 F692 | P602-M608 HydrophobicContact CB-CE 3.38Å; P602-M608 HydrophobicContact CG-CE 3.39Å; E606-M608 PolarHBondContact O-N 2.84Å; E606-M608 VanDerWaalsContact O-N 3.12Å; M608-A611 HydrophobicContact CE-CB 4.45Å; M608-Y612 VanDerWaalsContact O-CB 3.24Å; M608-Y612 WeakPolarHBondContact O-CB 3.12Å; M608-Y612 PolarHBondContact O-N 2.97Å; M608-F656 HydrophobicContact CB-CE2 3.89Å; M608-G661 WeakPolarHBondContact CB-O 3.11Å; M608-G661 WeakPolarHBondContact CG-O 3.45Å; M608-L663 HydrophobicContact SD-CB 3.87Å; M608-L686 HydrophobicContact CE-CB 4.15Å; M608-L686 HydrophobicContact SD-CB 4.01Å; M608-L688 HydrophobicContact CG-CD2 4.01Å; M608-F692 HydrophobicContact CE-CE1 4.38Å |
| 609 | W | 78.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74.6 | -38 | 171 | 176.3 | 82.1 | 0 | 0 | 0 | 112 | E606 D607 Y612 N613 F656 S737 M738 D897 S929 | E606-W609 WeakPolarHBondContact O-CA 3.48Å; E606-W609 WeakPolarHBondContact O-CB 3.3Å; E606-W609 PolarHBondContact O-N 3.01Å; D607-W609 VanDerWaalsContact C-N 3.34Å; W609-Y612 WeakPolarHBondContact O-CB 3.48Å; W609-Y612 PolarHBondContact O-N 3.41Å; W609-N613 WeakPolarHBondContact CZ2-ND2 3.46Å; W609-N613 PolarHBondContact NE1-ND2 3.19Å; W609-N613 PolarHBondContact O-N 3.13Å; W609-F656 HydrophobicContact CB-CE1 4.23Å; W609-F656 HydrophobicContact CB-CZ 3.96Å; W609-S737 VanDerWaalsContact CZ3-CB 3.48Å; W609-S737 WeakPolarHBondContact CZ3-OG 3.32Å; W609-M738 HydrophobicContact CB-CE 4.17Å; W609-D897 WeakPolarHBondContact CZ2-OD2 3.17Å; W609-S929 WeakPolarHBondContact CZ2-OG 3.45Å |
| 610 | H | 82.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 170.3 | -73 | -96.4 | 0 | 0 | 0 | 110.6 | M583 E606 D607 Y612 N613 L614 R706 A710 | M583-H610 HydrophobicContact CE-CB 3.75Å; E606-H610 PolarHBondContact O-CD2 2.88Å; E606-H610 PolarHBondContact O-N 2.85Å; E606-H610 VanDerWaalsContact O-N 3.16Å; D607-H610 PolarHBondContact O-N 3.19Å; H610-Y612 VanDerWaalsContact C-N 3.35Å; H610-Y612 PolarHBondContact O-N 2.58Å; H610-N613 PolarHBondContact O-N 3.11Å; H610-N613 VanDerWaalsContact O-N 3.16Å; H610-L614 VanDerWaalsContact O-CG 3.29Å; H610-L614 WeakPolarHBondContact O-CG 3.4Å; H610-L614 PolarHBondContact O-N 2.87Å; H610-R706 WeakPolarHBondContact ND1-CD 3.37Å; H610-R706 PolarHBondContact ND1-O 3.28Å; H610-R706 VanDerWaalsContact ND1-O 3.13Å; H610-A710 HydrophobicContact CB-CB 3.78Å; H610-A710 WeakPolarHBondContact ND1-CB 3.44Å |
| 611 | A | 87.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M583 D607 M608 N613 L614 I615 L663 F692 | M583-A611 HydrophobicContact CE-CB 4.48Å; D607-A611 VanDerWaalsContact O-CB 3.29Å; D607-A611 WeakPolarHBondContact O-CB 3.37Å; D607-A611 PolarHBondContact O-N 2.91Å; M608-A611 HydrophobicContact CE-CB 4.45Å; A611-N613 VanDerWaalsContact C-N 3.32Å; A611-N613 PolarHBondContact O-N 2.67Å; A611-L614 PolarHBondContact O-N 3.09Å; A611-I615 VanDerWaalsContact O-CG1 3.32Å; A611-I615 WeakPolarHBondContact O-CG1 3.4Å; A611-I615 PolarHBondContact O-N 2.96Å; A611-L663 HydrophobicContact CB-CD2 3.71Å; A611-F692 HydrophobicContact CB-CE1 4.32Å; A611-F692 HydrophobicContact CB-CE2 4.47Å; A611-F692 HydrophobicContact CB-CZ 3.7Å |
| 612 | Y | 84.8 | Confident | 83.9 | Confident | 49 Ų | 49 | 30 Ų | 30 | 19% | 0.192 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.8 | -44.3 | 174 | 167.6 | -120.3 | 0 | 0 | 0 | 111.5 | M608 W609 H610 V654 F656 L663 R901 | M608-Y612 VanDerWaalsContact O-CB 3.24Å; M608-Y612 WeakPolarHBondContact O-CB 3.12Å; M608-Y612 PolarHBondContact O-N 2.97Å; W609-Y612 WeakPolarHBondContact O-CB 3.48Å; W609-Y612 PolarHBondContact O-N 3.41Å; H610-Y612 VanDerWaalsContact C-N 3.35Å; H610-Y612 PolarHBondContact O-N 2.58Å; Y612-V654 HydrophobicContact CD2-CG1 3.72Å; Y612-V654 HydrophobicContact CE2-CG1 4.16Å; Y612-F656 HydrophobicContact CD1-CB 4.11Å; Y612-F656 AromaticContact CD1-CD1 3.95Å; Y612-F656 HydrophobicContact CD1-CD1 3.95Å; Y612-F656 HydrophobicContact CD1-CG 4.15Å; Y612-F656 HydrophobicContact CD2-CB 3.47Å; Y612-F656 VanDerWaalsContact CD2-CB 3.47Å; Y612-F656 HydrophobicContact CD2-CG 4.27Å; Y612-F656 HydrophobicContact CE1-CB 4.4Å; Y612-F656 HydrophobicContact CE1-CD1 4.35Å; Y612-F656 HydrophobicContact CE2-CB 3.81Å; Y612-F656 HydrophobicContact CG-CB 3.63Å; Y612-F656 HydrophobicContact CG-CD1 4.19Å; Y612-F656 AromaticContact CG-CG 3.9Å; Y612-F656 HydrophobicContact CG-CG 3.9Å; Y612-L663 HydrophobicContact CD2-CD1 4.07Å; Y612-L663 HydrophobicContact CG-CD1 4.48Å; Y612-R901 VanDerWaalsContact C-NH1 3.29Å; Y612-R901 VanDerWaalsContact CD1-NH1 3.25Å; Y612-R901 PolarHBondContact O-NH1 3.03Å; Y612-R901 PolarHBondContact O-NH2 2.85Å |
| 613 | N | 80.4 | Confident | 84 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -77.7 | -20.5 | 179.5 | -90.3 | -35.4 | 0 | 0 | 0 | 114.7 | W609 H610 A611 R706 D897 R901 | W609-N613 WeakPolarHBondContact CZ2-ND2 3.46Å; W609-N613 PolarHBondContact NE1-ND2 3.19Å; W609-N613 PolarHBondContact O-N 3.13Å; H610-N613 PolarHBondContact O-N 3.11Å; H610-N613 VanDerWaalsContact O-N 3.16Å; A611-N613 VanDerWaalsContact C-N 3.32Å; A611-N613 PolarHBondContact O-N 2.67Å; N613-R706 PolarHBondContact ND2-NH1 3.26Å; N613-R706 VanDerWaalsContact ND2-NH1 3.16Å; N613-D897 PolarHBondContact ND2-OD2 3.17Å; N613-R901 VanDerWaalsContact CA-NH1 3.35Å; N613-R901 PolarHBondContact OD1-NH1 3.44Å |
| 614 | L | 87.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -81.6 | -34.7 | 172.2 | -67.1 | 171.1 | 0 | 0 | 0 | 112.9 | L600 H610 A611 I694 K696 W699 H703 R706 I707 | L600-L614 HydrophobicContact CD1-CD1 3.8Å; H610-L614 VanDerWaalsContact O-CG 3.29Å; H610-L614 WeakPolarHBondContact O-CG 3.4Å; H610-L614 PolarHBondContact O-N 2.87Å; A611-L614 PolarHBondContact O-N 3.09Å; L614-I694 HydrophobicContact CB-CD1 3.86Å; L614-K696 WeakPolarHBondContact O-CE 3.4Å; L614-K696 PolarHBondContact O-NZ 2.89Å; L614-W699 HydrophobicContact CD2-CZ3 4.45Å; L614-H703 HydrophobicContact CD2-CB 3.88Å; L614-R706 HydrophobicContact CD2-CB 4.18Å; L614-R706 HydrophobicContact CD2-CG 4.24Å; L614-R706 HydrophobicContact CG-CG 4.44Å; L614-I707 HydrophobicContact CD1-CD1 4.39Å; L614-I707 HydrophobicContact CD1-CG1 3.61Å; L614-I707 HydrophobicContact CD2-CD1 4.42Å; L614-I707 HydrophobicContact CD2-CG1 4.01Å; L614-I707 HydrophobicContact CG-CG1 4.48Å |
| 615 | I | 88.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -90.6 | 130.8 | -174.2 | -57.9 | 167.6 | 0 | 0 | 0 | 111.5 | A611 D619 L621 V651 V654 I665 L686 F692 I694 R901 | A611-I615 VanDerWaalsContact O-CG1 3.32Å; A611-I615 WeakPolarHBondContact O-CG1 3.4Å; A611-I615 PolarHBondContact O-N 2.96Å; I615-D619 WeakPolarHBondContact CA-OD2 3.34Å; I615-L621 HydrophobicContact CD1-CD1 3.95Å; I615-L621 HydrophobicContact CD1-CD2 4.27Å; I615-V651 HydrophobicContact CG2-CG1 4.46Å; I615-V651 HydrophobicContact CG2-CG2 4Å; I615-V654 HydrophobicContact CG2-CG2 3.96Å; I615-I665 HydrophobicContact CD1-CD1 3.61Å; I615-I665 HydrophobicContact CG2-CD1 4.25Å; I615-L686 HydrophobicContact CD1-CD1 3.83Å; I615-F692 HydrophobicContact CD1-CE2 4.32Å; I615-I694 HydrophobicContact CD1-CD1 4.15Å; I615-I694 HydrophobicContact CD1-CG1 4.27Å; I615-I694 HydrophobicContact CG1-CD1 3.47Å; I615-I694 VanDerWaalsContact CG1-CD1 3.47Å; I615-I694 HydrophobicContact CG1-CG1 3.87Å; I615-R901 PolarHBondContact O-NH2 3.23Å | ||
| 616 | Q | 83.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 10% | 0.098 | 15% | 0.145 | C | C | . | . | trans | -133.2 | 164.3 | -175.6 | -59.5 | -170.6 | -8.2 | 0 | 0 | 111.6 | D619 V651 F900 | Q616-D619 PolarHBondContact N-OD2 2.75Å; Q616-D619 VanDerWaalsContact O-CB 3.28Å; Q616-D619 WeakPolarHBondContact O-CB 3.41Å; Q616-D619 PolarHBondContact O-N 3.22Å; Q616-V651 WeakPolarHBondContact O-CB 3.49Å; Q616-F900 PolarHBondContact NE2-O 3.49Å | ||
| 617 | E | 85.4 | Confident | 85.4 | Confident | 93 Ų | 93 | 32.7 Ų | 32.7 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 144.8 | 174.4 | -60 | 175.5 | -169.4 | 0 | 0 | 110.4 | D619 V651 T903 | E617-D619 PolarHBondContact O-N 2.86Å; E617-V651 WeakPolarHBondContact CA-O 3.5Å; E617-T903 HydrophobicContact CB-CG2 4.01Å; E617-T903 HydrophobicContact CG-CG2 4.34Å |
| 618 | K | 85.3 | Confident | 85.4 | Confident | 156 Ų | 156 | 39.1 Ų | 39.1 | 68% | 0.678 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | -6.5 | -169.9 | -49 | 167.5 | -173.9 | 165.8 | 0 | 116 | V651 | K618-V651 PolarHBondContact N-O 2.9Š|
| 619 | D | 89.6 | Confident | 85 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | trans | -61.2 | 154.2 | 165 | -73.6 | -21.7 | 0 | 0 | 0 | 110.5 | I615 Q616 E617 T650 V651 I694 K696 | I615-D619 WeakPolarHBondContact CA-OD2 3.34Å; Q616-D619 PolarHBondContact N-OD2 2.75Å; Q616-D619 VanDerWaalsContact O-CB 3.28Å; Q616-D619 WeakPolarHBondContact O-CB 3.41Å; Q616-D619 PolarHBondContact O-N 3.22Å; E617-D619 PolarHBondContact O-N 2.86Å; D619-T650 WeakPolarHBondContact O-CA 3.27Å; D619-V651 HydrophobicContact CB-CG2 4.37Å; D619-V651 PolarHBondContact O-N 2.75Å; D619-I694 HydrophobicContact CB-CG2 4.48Å; D619-K696 IonicContact OD1-NZ 3.48Å; D619-K696 PolarHBondContact OD1-NZ 2.87Å; D619-K696 IonicContact OD2-NZ 2.64Å; D619-K696 PolarHBondContact OD2-NZ 3.19Å | ||
| 620 | N | 91.4 | Very high | 84.9 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.5 | 166.7 | -66.9 | -60.5 | 0 | 0 | 0 | 109.8 | T650 I670 Y695 | N620-T650 WeakPolarHBondContact OD1-CA 3.48Å; N620-T650 WeakPolarHBondContact OD1-CB 3.35Å; N620-T650 PolarHBondContact OD1-OG1 2.87Å; N620-I670 HydrophobicContact CB-CD1 4.34Å; N620-Y695 PolarHBondContact N-O 2.92Å; N620-Y695 WeakPolarHBondContact O-CD2 3.26Å; N620-Y695 PolarHBondContact O-N 3.22Å |
| 621 | L | 92.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.8 | -178.3 | -179.6 | 71.2 | 0 | 0 | 0 | 110.8 | I615 T648 V649 V651 I665 L684 L686 F692 I694 | I615-L621 HydrophobicContact CD1-CD1 3.95Å; I615-L621 HydrophobicContact CD1-CD2 4.27Å; L621-T648 CarbonylContact O-C 3.52Å; L621-T648 WeakPolarHBondContact O-CA 3.33Å; L621-V649 PolarHBondContact N-O 3.06Å; L621-V649 PolarHBondContact O-N 2.71Å; L621-V651 HydrophobicContact CB-CG2 4.14Å; L621-I665 HydrophobicContact CD2-CB 4.27Å; L621-I665 HydrophobicContact CD2-CD1 3.43Å; L621-I665 VanDerWaalsContact CD2-CD1 3.43Å; L621-I665 HydrophobicContact CD2-CG1 4.42Å; L621-I665 HydrophobicContact CD2-CG2 3.95Å; L621-L684 HydrophobicContact CD2-CD1 4.05Å; L621-L684 HydrophobicContact CG-CD1 4.35Å; L621-L686 HydrophobicContact CD2-CD1 4.43Å; L621-L686 HydrophobicContact CD2-CD2 4.42Å; L621-F692 HydrophobicContact CD1-CB 4.3Å; L621-F692 HydrophobicContact CD1-CD2 3.86Å; L621-F692 HydrophobicContact CD1-CG 4.44Å; L621-I694 HydrophobicContact CD1-CG1 4.03Å |
| 622 | R | 92.4 | Very high | 83.8 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 30% | 0.302 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.3 | 169.9 | -177.4 | 178.6 | -80.1 | 165.7 | -15.1 | 110.9 | S646 L647 T648 E671 F692 T693 Y695 | R622-S646 WeakPolarHBondContact CG-OG 3.45Å; R622-L647 VanDerWaalsContact CA-O 3.31Å; R622-L647 WeakPolarHBondContact CA-O 3.25Å; R622-T648 HydrophobicContact CB-CG2 4.17Å; R622-T648 WeakPolarHBondContact CG-OG1 3.41Å; R622-T648 PolarHBondContact NE-OG1 2.82Å; R622-E671 IonicContact CZ-OE1 3.39Å; R622-E671 IonicContact CZ-OE2 3.91Å; R622-E671 IonicContact NE-OE2 2.75Å; R622-E671 PolarHBondContact NE-OE2 3.15Å; R622-E671 IonicContact NH2-OE1 3.19Å; R622-E671 PolarHBondContact NH2-OE1 3.07Å; R622-E671 IonicContact NH2-OE2 2.86Å; R622-E671 PolarHBondContact NH2-OE2 2.93Å; R622-F692 CarbonylContact O-C 2.94Å; R622-F692 WeakPolarHBondContact O-CA 3.42Å; R622-T693 PolarHBondContact N-O 2.96Å; R622-T693 PolarHBondContact O-N 3.32Å; R622-Y695 HydrophobicContact CB-CE2 3.98Å; R622-Y695 PolarHBondContact NH1-OH 2.92Å; R622-Y695 VanDerWaalsContact NH1-OH 3.09Å |
| 623 | A | 91.1 | Very high | 83 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 5% | 0.05 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 167.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S646 L647 L684 L686 F692 | A623-S646 WeakPolarHBondContact O-CA 3.33Å; A623-L647 PolarHBondContact N-O 3.21Å; A623-L647 PolarHBondContact O-N 2.84Å; A623-L684 HydrophobicContact CB-CD1 4.17Å; A623-L684 HydrophobicContact CB-CD2 4.43Å; A623-L686 HydrophobicContact CB-CD2 3.72Å; A623-F692 HydrophobicContact CB-CB 4.19Å |
| 624 | S | 87.4 | Confident | 82.3 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 92.6 | -175.1 | 168 | 0 | 0 | 0 | 0 | 112.1 | R644 R690 | S624-R644 VanDerWaalsContact OG-CD 3.32Å; S624-R644 WeakPolarHBondContact OG-CD 3.49Å; S624-R644 WeakPolarHBondContact OG-CG 3.22Å; S624-R690 PolarHBondContact O-NH1 3.45Å |
| 625 | A | 82.9 | Confident | 81.7 | Confident | 12 Ų | 12 | 65 Ų | 65 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 165 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R644 T645 L647 L684 | A625-R644 CarbonylContact O-C 3.59Å; A625-R644 VanDerWaalsContact O-CA 3.31Å; A625-R644 WeakPolarHBondContact O-CA 3.4Å; A625-T645 PolarHBondContact N-O 3.06Å; A625-T645 PolarHBondContact O-N 2.96Å; A625-L647 HydrophobicContact CB-CD1 3.69Å; A625-L647 HydrophobicContact CB-CG 4.29Å; A625-L684 HydrophobicContact CB-CD2 3.86Å |
| 626 | V | 81.9 | Confident | 80.7 | Confident | 68 Ų | 68 | 68 Ų | 68 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 98.3 | 172.2 | -178 | 0 | 0 | 0 | 0 | 109.9 | R642 V643 R644 | V626-R642 HydrophobicContact CG1-CB 3.85Å; V626-R642 HydrophobicContact CG1-CG 4.27Å; V626-V643 CarbonylContact C-O 3.58Å; V626-R644 HydrophobicContact CG2-CB 4.42Å; V626-R644 HydrophobicContact CG2-CG 4.43Å |
| 627 | R | 74.1 | Confident | 79.5 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.5 | 178.7 | -108.2 | -81.4 | 174.9 | 141.1 | -9 | 110.3 | V629 R642 V643 T645 Y675 V676 | R627-V629 HydrophobicContact CB-CG2 4.4Å; R627-V629 PolarHBondContact O-N 3.39Å; R627-R642 WeakPolarHBondContact O-CA 3.32Å; R627-V643 PolarHBondContact N-O 2.8Å; R627-V643 PolarHBondContact O-N 2.95Å; R627-T645 HydrophobicContact CB-CG2 4.22Å; R627-T645 HydrophobicContact CG-CG2 4.35Å; R627-Y675 PolarHBondContact NH1-O 2.92Å; R627-V676 HydrophobicContact CG-CG2 3.75Å |
| 628 | K | 80.9 | Confident | 78.6 | Confident | 135 Ų | 135 | 70.1 Ų | 70.1 | 59% | 0.587 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 115.5 | 159 | -173.3 | -179.9 | 179.7 | -177.9 | 0 | 107.6 | S640 | K628-S640 WeakPolarHBondContact CE-OG 3.35Å |
| 629 | V | 76.5 | Confident | 77.7 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.2 | 176 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | R627 S640 Y641 V643 Y675 | R627-V629 HydrophobicContact CB-CG2 4.4Å; R627-V629 PolarHBondContact O-N 3.39Å; V629-S640 CarbonylContact O-C 3.55Å; V629-S640 VanDerWaalsContact O-CA 3.24Å; V629-S640 WeakPolarHBondContact O-CA 3.3Å; V629-Y641 HydrophobicContact CB-CD1 4.28Å; V629-Y641 HydrophobicContact CB-CE1 3.87Å; V629-Y641 HydrophobicContact CB-CE2 4.26Å; V629-Y641 HydrophobicContact CG1-CE1 3.76Å; V629-Y641 PolarHBondContact N-O 2.87Å; V629-Y641 PolarHBondContact O-N 2.89Å; V629-V643 HydrophobicContact CB-CG2 4.47Å; V629-V643 HydrophobicContact CG2-CB 4.15Å; V629-V643 HydrophobicContact CG2-CG2 3.72Å; V629-Y675 HydrophobicContact CB-CD1 4.37Å; V629-Y675 HydrophobicContact CG1-CD1 3.98Å; V629-Y675 HydrophobicContact CG1-CE1 4.34Å; V629-Y675 HydrophobicContact CG2-CD1 3.45Å; V629-Y675 VanDerWaalsContact CG2-CD1 3.45Å; V629-Y675 HydrophobicContact CG2-CE1 4.03Å; V629-Y675 HydrophobicContact CG2-CG 4Å |
| 630 | T | 77.6 | Confident | 76.9 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.3 | 178.4 | -48.6 | 0 | 0 | 0 | 0 | 108.5 | T638 S639 | T630-T638 HydrophobicContact CG2-CG2 3.88Å; T630-S639 CarbonylContact C-O 3.46Å; T630-S639 WeakPolarHBondContact CA-O 3.46Å |
| 631 | N | 72.7 | Confident | 76.6 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 43% | 0.433 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.8 | 173.3 | -70.7 | 0.8 | 0 | 0 | 0 | 108.9 | S639 | N631-S639 PolarHBondContact N-O 2.94Å; N631-S639 PolarHBondContact O-N 2.85Å |
| 632 | E | 72.7 | Confident | 76 | Confident | 155 Ų | 155 | 80.7 Ų | 80.7 | 72% | 0.724 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.1 | 166.1 | -75 | 179.3 | 171.3 | 0 | 0 | 109.5 | T638 | E632-T638 HydrophobicContact CG-CG2 3.51Å |
| 633 | S | 69.2 | Low | 75.5 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -78 | 159.4 | 169.4 | 70.2 | 0 | 0 | 0 | 0 | 110.7 | T635 G636 S637 | S633-T635 PolarHBondContact O-N 3.01Å; S633-T635 PolarHBondContact OG-N 2.83Å; S633-T635 PolarHBondContact OG-OG1 3.37Å; S633-G636 PolarHBondContact O-N 2.95Å; S633-G636 PolarHBondContact OG-N 2.93Å; S633-S637 WeakPolarHBondContact CB-OG 3.37Å; S633-S637 PolarHBondContact N-O 3.07Å; S633-S637 VanDerWaalsContact N-O 3.1Å; S633-S637 PolarHBondContact OG-N 3.05Å; S633-S637 PolarHBondContact OG-O 3.5Å; S633-S637 PolarHBondContact OG-OG 3.03Å |
| 634 | A | 65.6 | Low | 75.1 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 97% | 0.967 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 635 | T | 74.2 | Confident | 74.9 | Confident | 130 Ų | 130 | 84.8 Ų | 84.8 | 80% | 0.798 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 9.2 | 172.1 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | S633 | S633-T635 PolarHBondContact O-N 3.01Å; S633-T635 PolarHBondContact OG-N 2.83Å; S633-T635 PolarHBondContact OG-OG1 3.37Å |
| 636 | G | 66.9 | Low | 75.1 | Confident | 62 Ų | 62 | 87.3 Ų | 87.3 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 80.2 | 10.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S633 | S633-G636 PolarHBondContact O-N 2.95Å; S633-G636 PolarHBondContact OG-N 2.93Å |
| 637 | S | 58.3 | Low | 75.4 | Confident | 69 Ų | 69 | 84.2 Ų | 84.2 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | trans | -85.7 | 114.5 | 176.5 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | S633 | S633-S637 WeakPolarHBondContact CB-OG 3.37Å; S633-S637 PolarHBondContact N-O 3.07Å; S633-S637 VanDerWaalsContact N-O 3.1Å; S633-S637 PolarHBondContact OG-N 3.05Å; S633-S637 PolarHBondContact OG-O 3.5Å; S633-S637 PolarHBondContact OG-OG 3.03Å | ||
| 638 | T | 67.4 | Low | 76.2 | Confident | 91 Ų | 91 | 81 Ų | 81 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.3 | 170 | 32.5 | 0 | 0 | 0 | 0 | 110.9 | T630 E632 | T630-T638 HydrophobicContact CG2-CG2 3.88Å; E632-T638 HydrophobicContact CG-CG2 3.51Å |
| 639 | S | 65.9 | Low | 76.7 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 47% | 0.469 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.2 | 166.7 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | T630 N631 | T630-S639 CarbonylContact C-O 3.46Å; T630-S639 WeakPolarHBondContact CA-O 3.46Å; N631-S639 PolarHBondContact N-O 2.94Å; N631-S639 PolarHBondContact O-N 2.85Å |
| 640 | S | 73.4 | Confident | 77.5 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.4 | -178.4 | 75.4 | 0 | 0 | 0 | 0 | 113 | K628 V629 | K628-S640 WeakPolarHBondContact CE-OG 3.35Å; V629-S640 CarbonylContact O-C 3.55Å; V629-S640 VanDerWaalsContact O-CA 3.24Å; V629-S640 WeakPolarHBondContact O-CA 3.3Å |
| 641 | Y | 84 | Confident | 78.1 | Confident | 97 Ų | 97 | 72 Ų | 72 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.3 | 178 | 60.3 | -71.7 | 0 | 0 | 0 | 110.1 | V629 V643 | V629-Y641 HydrophobicContact CB-CD1 4.28Å; V629-Y641 HydrophobicContact CB-CE1 3.87Å; V629-Y641 HydrophobicContact CB-CE2 4.26Å; V629-Y641 HydrophobicContact CG1-CE1 3.76Å; V629-Y641 PolarHBondContact N-O 2.87Å; V629-Y641 PolarHBondContact O-N 2.89Å; Y641-V643 HydrophobicContact CD2-CG2 3.51Å; Y641-V643 HydrophobicContact CE2-CG2 3.31Å |
| 642 | R | 81.2 | Confident | 78.8 | Confident | 209 Ų | 209 | 71.8 Ų | 71.8 | 79% | 0.789 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.2 | 178 | -71.7 | -176.6 | 179.9 | -177.2 | -0.5 | 109.5 | V626 R627 | V626-R642 HydrophobicContact CG1-CB 3.85Å; V626-R642 HydrophobicContact CG1-CG 4.27Å; R627-R642 WeakPolarHBondContact O-CA 3.32Å |
| 643 | V | 82 | Confident | 79.5 | Confident | 27 Ų | 27 | 71 Ų | 71 | 16% | 0.164 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.6 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 109 | V626 R627 V629 Y641 Y675 | V626-V643 CarbonylContact C-O 3.58Å; R627-V643 PolarHBondContact N-O 2.8Å; R627-V643 PolarHBondContact O-N 2.95Å; V629-V643 HydrophobicContact CB-CG2 4.47Å; V629-V643 HydrophobicContact CG2-CB 4.15Å; V629-V643 HydrophobicContact CG2-CG2 3.72Å; Y641-V643 HydrophobicContact CD2-CG2 3.51Å; Y641-V643 HydrophobicContact CE2-CG2 3.31Å; V643-Y675 HydrophobicContact CG1-CD2 4.21Å; V643-Y675 HydrophobicContact CG1-CE2 3.77Å; V643-Y675 HydrophobicContact CG2-CE1 4.29Å |
| 644 | R | 82.5 | Confident | 80.3 | Confident | 163 Ų | 163 | 70 Ų | 70 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121 | 168.2 | -174.2 | -179.7 | -84.2 | 159.6 | -5.2 | 108.2 | S624 A625 V626 | S624-R644 VanDerWaalsContact OG-CD 3.32Å; S624-R644 WeakPolarHBondContact OG-CD 3.49Å; S624-R644 WeakPolarHBondContact OG-CG 3.22Å; A625-R644 CarbonylContact O-C 3.59Å; A625-R644 VanDerWaalsContact O-CA 3.31Å; A625-R644 WeakPolarHBondContact O-CA 3.4Å; V626-R644 HydrophobicContact CG2-CB 4.42Å; V626-R644 HydrophobicContact CG2-CG 4.43Å |
| 645 | T | 83.2 | Confident | 81.2 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.3 | -176.4 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | A625 R627 L647 N673 | A625-T645 PolarHBondContact N-O 3.06Å; A625-T645 PolarHBondContact O-N 2.96Å; R627-T645 HydrophobicContact CB-CG2 4.22Å; R627-T645 HydrophobicContact CG-CG2 4.35Å; T645-L647 HydrophobicContact CG2-CD2 4.27Å; T645-L647 HydrophobicContact CG2-CG 4.19Å; T645-N673 PolarHBondContact OG1-ND2 2.93Å |
| 646 | S | 86.7 | Confident | 81.5 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.2 | 167.8 | -157 | 0 | 0 | 0 | 0 | 108.8 | R622 A623 N673 | R622-S646 WeakPolarHBondContact CG-OG 3.45Å; A623-S646 WeakPolarHBondContact O-CA 3.33Å; S646-N673 PolarHBondContact O-ND2 3.13Å |
| 647 | L | 88 | Confident | 82 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149 | 169.7 | -63.1 | 172.9 | 0 | 0 | 0 | 108.4 | R622 A623 A625 T645 V649 N673 V676 H682 L684 | R622-L647 VanDerWaalsContact CA-O 3.31Å; R622-L647 WeakPolarHBondContact CA-O 3.25Å; A623-L647 PolarHBondContact N-O 3.21Å; A623-L647 PolarHBondContact O-N 2.84Å; A625-L647 HydrophobicContact CB-CD1 3.69Å; A625-L647 HydrophobicContact CB-CG 4.29Å; T645-L647 HydrophobicContact CG2-CD2 4.27Å; T645-L647 HydrophobicContact CG2-CG 4.19Å; L647-V649 HydrophobicContact CB-CG2 4.29Å; L647-N673 WeakPolarHBondContact CD2-ND2 3.49Å; L647-V676 HydrophobicContact CD1-CG2 4.21Å; L647-V676 HydrophobicContact CD2-CB 3.72Å; L647-V676 HydrophobicContact CD2-CG1 4.1Å; L647-V676 HydrophobicContact CD2-CG2 3.54Å; L647-H682 WeakPolarHBondContact CD1-CD2 3.43Å; L647-L684 HydrophobicContact CB-CD2 4.19Å; L647-L684 HydrophobicContact CD1-CD2 4.36Å |
| 648 | T | 92.2 | Very high | 82.5 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.9 | 175 | -52.1 | 0 | 0 | 0 | 0 | 107 | L621 R622 N669 I670 E671 | L621-T648 CarbonylContact O-C 3.52Å; L621-T648 WeakPolarHBondContact O-CA 3.33Å; R622-T648 HydrophobicContact CB-CG2 4.17Å; R622-T648 WeakPolarHBondContact CG-OG1 3.41Å; R622-T648 PolarHBondContact NE-OG1 2.82Å; T648-N669 CarbonylContact O-C 3.49Å; T648-N669 WeakPolarHBondContact O-CA 3.3Å; T648-N669 PolarHBondContact O-OD1 2.87Å; T648-I670 HydrophobicContact CG2-CD1 3.9Å; T648-I670 HydrophobicContact CG2-CG1 3.92Å; T648-I670 VanDerWaalsContact O-CG1 3.27Å; T648-I670 WeakPolarHBondContact O-CG1 3.28Å; T648-I670 PolarHBondContact O-N 2.86Å; T648-E671 WeakPolarHBondContact CB-OE2 3.49Å; T648-E671 PolarHBondContact OG1-OE2 2.74Å |
| 649 | V | 91 | Very high | 82.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.8 | -165.5 | 172.7 | 0 | 0 | 0 | 0 | 109.3 | L621 L647 V651 G667 R668 N669 L684 | L621-V649 PolarHBondContact N-O 3.06Å; L621-V649 PolarHBondContact O-N 2.71Å; L647-V649 HydrophobicContact CB-CG2 4.29Å; V649-V651 PolarHBondContact O-N 3.2Å; V649-G667 VanDerWaalsContact CG1-C 3.44Å; V649-R668 CarbonylContact C-O 3.59Å; V649-R668 VanDerWaalsContact CA-O 3.3Å; V649-R668 WeakPolarHBondContact CA-O 3.3Å; V649-N669 HydrophobicContact CG2-CB 4.45Å; V649-L684 HydrophobicContact CB-CD1 3.74Å; V649-L684 HydrophobicContact CB-CG 4.49Å; V649-L684 HydrophobicContact CG2-CD1 3.66Å; V649-L684 HydrophobicContact CG2-CG 4.05Å |
| 650 | T | 92.9 | Very high | 82.4 | Confident | 40 Ų | 40 | 66.6 Ų | 66.6 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.9 | 165.6 | -51.1 | 0 | 0 | 0 | 0 | 108.2 | D619 N620 E652 G667 R668 I670 | D619-T650 WeakPolarHBondContact O-CA 3.27Å; N620-T650 WeakPolarHBondContact OD1-CA 3.48Å; N620-T650 WeakPolarHBondContact OD1-CB 3.35Å; N620-T650 PolarHBondContact OD1-OG1 2.87Å; T650-E652 PolarHBondContact O-N 2.96Å; T650-G667 WeakPolarHBondContact O-CA 3.24Å; T650-R668 PolarHBondContact N-O 3.32Å; T650-R668 PolarHBondContact O-N 2.97Å; T650-R668 VanDerWaalsContact O-N 3.17Å; T650-I670 WeakPolarHBondContact OG1-CG2 3.36Å |
| 651 | V | 90.2 | Very high | 82.2 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.9 | -173.6 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | I615 Q616 E617 K618 D619 L621 V649 V654 I665 | I615-V651 HydrophobicContact CG2-CG1 4.46Å; I615-V651 HydrophobicContact CG2-CG2 4Å; Q616-V651 WeakPolarHBondContact O-CB 3.49Å; E617-V651 WeakPolarHBondContact CA-O 3.5Å; K618-V651 PolarHBondContact N-O 2.9Å; D619-V651 HydrophobicContact CB-CG2 4.37Å; D619-V651 PolarHBondContact O-N 2.75Å; L621-V651 HydrophobicContact CB-CG2 4.14Å; V649-V651 PolarHBondContact O-N 3.2Å; V651-V654 HydrophobicContact CG1-CG2 3.56Å; V651-I665 HydrophobicContact CB-CG2 4.35Å; V651-I665 HydrophobicContact CG1-CG2 3.89Å; V651-I665 HydrophobicContact CG2-CG2 3.68Å |
| 652 | E | 87.9 | Confident | 81.9 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -20.8 | 169.9 | -71.1 | -171.9 | -166.1 | 0 | 0 | 112.8 | T650 K666 R668 Y681 | T650-E652 PolarHBondContact O-N 2.96Å; E652-K666 PolarHBondContact N-O 3Å; E652-R668 WeakPolarHBondContact OE1-CD 3.36Å; E652-R668 WeakPolarHBondContact OE1-CG 3.29Å; E652-R668 IonicContact OE1-CZ 2.68Å; E652-R668 IonicContact OE1-NE 3.49Å; E652-R668 PolarHBondContact OE1-NE 2.68Å; E652-R668 IonicContact OE1-NH2 3.45Å; E652-R668 PolarHBondContact OE1-NH2 3.14Å; E652-Y681 PolarHBondContact OE1-OH 2.92Å; E652-Y681 WeakPolarHBondContact OE2-CE1 3.48Å; E652-Y681 VanDerWaalsContact OE2-CZ 3.31Å; E652-Y681 PolarHBondContact OE2-OH 3.25Å |
| 653 | R | 86.2 | Confident | 82.1 | Confident | 138 Ų | 138 | 50.6 Ų | 50.6 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 144.7 | 176.1 | 176.4 | 171.4 | 168.2 | 146.7 | 4.8 | 111.7 | D655 K666 | R653-D655 IonicContact CZ-OD1 3.07Å; R653-D655 IonicContact CZ-OD2 2.81Å; R653-D655 VanDerWaalsContact NE-CG 3.33Å; R653-D655 IonicContact NE-OD1 3.37Å; R653-D655 PolarHBondContact NE-OD1 2.9Å; R653-D655 IonicContact NE-OD2 3.26Å; R653-D655 PolarHBondContact NE-OD2 3.35Å; R653-D655 VanDerWaalsContact NE-OD2 3.1Å; R653-D655 IonicContact NH2-OD1 3.06Å; R653-D655 PolarHBondContact NH2-OD1 3.02Å; R653-D655 IonicContact NH2-OD2 3.3Å; R653-K666 HydrophobicContact CB-CB 4.38Å; R653-K666 PolarHBondContact N-O 2.9Å; R653-K666 VanDerWaalsContact N-O 3.11Å; R653-K666 PolarHBondContact O-N 3.28Å |
| 654 | V | 86.9 | Confident | 82.4 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.7 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | Y612 I615 V651 L663 I665 | Y612-V654 HydrophobicContact CD2-CG1 3.72Å; Y612-V654 HydrophobicContact CE2-CG1 4.16Å; I615-V654 HydrophobicContact CG2-CG2 3.96Å; V651-V654 HydrophobicContact CG1-CG2 3.56Å; V654-L663 HydrophobicContact CG1-CD1 3.52Å; V654-I665 HydrophobicContact CG1-CG1 4.31Å |
| 655 | D | 83.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.3 | 175.1 | -64.4 | -59.8 | 0 | 0 | 0 | 109.4 | R653 H664 K666 | R653-D655 IonicContact CZ-OD1 3.07Å; R653-D655 IonicContact CZ-OD2 2.81Å; R653-D655 VanDerWaalsContact NE-CG 3.33Å; R653-D655 IonicContact NE-OD1 3.37Å; R653-D655 PolarHBondContact NE-OD1 2.9Å; R653-D655 IonicContact NE-OD2 3.26Å; R653-D655 PolarHBondContact NE-OD2 3.35Å; R653-D655 VanDerWaalsContact NE-OD2 3.1Å; R653-D655 IonicContact NH2-OD1 3.06Å; R653-D655 PolarHBondContact NH2-OD1 3.02Å; R653-D655 IonicContact NH2-OD2 3.3Å; D655-H664 HydrophobicContact CB-CB 4.33Å; D655-H664 PolarHBondContact N-O 3.43Å; D655-H664 PolarHBondContact O-N 3.23Å; D655-K666 IonicContact OD2-NZ 3.98Å; D655-K666 PolarHBondContact OD2-NZ 2.78Å |
| 656 | F | 81.7 | Confident | 83.1 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.8 | 176.8 | 175.7 | -117.7 | 0 | 0 | 0 | 111 | M608 W609 Y612 A662 L663 L931 | M608-F656 HydrophobicContact CB-CE2 3.89Å; W609-F656 HydrophobicContact CB-CE1 4.23Å; W609-F656 HydrophobicContact CB-CZ 3.96Å; Y612-F656 HydrophobicContact CD1-CB 4.11Å; Y612-F656 AromaticContact CD1-CD1 3.95Å; Y612-F656 HydrophobicContact CD1-CD1 3.95Å; Y612-F656 HydrophobicContact CD1-CG 4.15Å; Y612-F656 HydrophobicContact CD2-CB 3.47Å; Y612-F656 VanDerWaalsContact CD2-CB 3.47Å; Y612-F656 HydrophobicContact CD2-CG 4.27Å; Y612-F656 HydrophobicContact CE1-CB 4.4Å; Y612-F656 HydrophobicContact CE1-CD1 4.35Å; Y612-F656 HydrophobicContact CE2-CB 3.81Å; Y612-F656 HydrophobicContact CG-CB 3.63Å; Y612-F656 HydrophobicContact CG-CD1 4.19Å; Y612-F656 AromaticContact CG-CG 3.9Å; Y612-F656 HydrophobicContact CG-CG 3.9Å; F656-A662 WeakPolarHBondContact CD2-O 3.46Å; F656-L663 HydrophobicContact CB-CD1 3.97Å; F656-L663 HydrophobicContact CD2-CB 4.36Å; F656-L663 HydrophobicContact CD2-CD1 4.27Å; F656-L931 HydrophobicContact CD1-CD1 4.01Å; F656-L931 HydrophobicContact CE1-CD1 3.74Å |
| 657 | D | 76.3 | Confident | 83.2 | Confident | 54 Ų | 54 | 44.6 Ų | 44.6 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | trans | -96 | 110.9 | 171.5 | 175.1 | 21.3 | 0 | 0 | 0 | 110.8 | Q659 T660 G661 A662 | D657-Q659 PolarHBondContact O-N 3.03Å; D657-Q659 WeakPolarHBondContact OD1-CB 3.18Å; D657-Q659 PolarHBondContact OD1-N 3.1Å; D657-T660 VanDerWaalsContact OD2-CB 3.28Å; D657-T660 WeakPolarHBondContact OD2-CB 3.33Å; D657-T660 WeakPolarHBondContact OD2-CG2 3.44Å; D657-T660 PolarHBondContact OD2-N 3.16Å; D657-T660 VanDerWaalsContact OD2-N 3.13Å; D657-T660 PolarHBondContact OD2-OG1 2.82Å; D657-G661 CarbonylContact O-C 3.51Å; D657-G661 WeakPolarHBondContact O-CA 3.34Å; D657-G661 PolarHBondContact O-N 3.26Å; D657-A662 PolarHBondContact N-O 3.14Å; D657-A662 PolarHBondContact O-N 3.01Å | ||
| 658 | S | 68.9 | Low | 83.4 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -6.3 | 178.7 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 659 | Q | 64 | Low | 83.3 | Confident | 175 Ų | 175 | 50.2 Ų | 50.2 | 82% | 0.818 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -47.7 | 175.8 | -59.4 | -169.3 | 28.6 | 0 | 0 | 112.4 | D657 | D657-Q659 PolarHBondContact O-N 3.03Å; D657-Q659 WeakPolarHBondContact OD1-CB 3.18Å; D657-Q659 PolarHBondContact OD1-N 3.1Å |
| 660 | T | 68.9 | Low | 83.2 | Confident | 95 Ų | 95 | 53.6 Ų | 53.6 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -20.7 | 175.1 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | D657 A662 | D657-T660 VanDerWaalsContact OD2-CB 3.28Å; D657-T660 WeakPolarHBondContact OD2-CB 3.33Å; D657-T660 WeakPolarHBondContact OD2-CG2 3.44Å; D657-T660 PolarHBondContact OD2-N 3.16Å; D657-T660 VanDerWaalsContact OD2-N 3.13Å; D657-T660 PolarHBondContact OD2-OG1 2.82Å; T660-A662 VanDerWaalsContact OG1-CB 3.26Å; T660-A662 WeakPolarHBondContact OG1-CB 3.4Å; T660-A662 PolarHBondContact OG1-N 3.1Å; T660-A662 VanDerWaalsContact OG1-N 3.16Å |
| 661 | G | 68 | Low | 82.8 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | trans | 76.9 | 7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M608 D657 | M608-G661 WeakPolarHBondContact CB-O 3.11Å; M608-G661 WeakPolarHBondContact CG-O 3.45Å; D657-G661 CarbonylContact O-C 3.51Å; D657-G661 WeakPolarHBondContact O-CA 3.34Å; D657-G661 PolarHBondContact O-N 3.26Å | ||
| 662 | A | 77.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 61.7 Ų | 61.7 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | trans | -73.6 | 142.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F656 D657 T660 | F656-A662 WeakPolarHBondContact CD2-O 3.46Å; D657-A662 PolarHBondContact N-O 3.14Å; D657-A662 PolarHBondContact O-N 3.01Å; T660-A662 VanDerWaalsContact OG1-CB 3.26Å; T660-A662 WeakPolarHBondContact OG1-CB 3.4Å; T660-A662 PolarHBondContact OG1-N 3.1Å; T660-A662 VanDerWaalsContact OG1-N 3.16Å | ||
| 663 | L | 86.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 108.4 | 180 | -178.8 | 56.1 | 0 | 0 | 0 | 110.1 | M608 A611 Y612 V654 F656 I665 L686 | M608-L663 HydrophobicContact SD-CB 3.87Å; A611-L663 HydrophobicContact CB-CD2 3.71Å; Y612-L663 HydrophobicContact CD2-CD1 4.07Å; Y612-L663 HydrophobicContact CG-CD1 4.48Å; V654-L663 HydrophobicContact CG1-CD1 3.52Å; F656-L663 HydrophobicContact CB-CD1 3.97Å; F656-L663 HydrophobicContact CD2-CB 4.36Å; F656-L663 HydrophobicContact CD2-CD1 4.27Å; L663-I665 HydrophobicContact CD1-CG1 4.46Å; L663-I665 HydrophobicContact CD2-CD1 4.33Å; L663-I665 HydrophobicContact CG-CD1 4.04Å; L663-I665 HydrophobicContact CG-CG1 4.18Å; L663-L686 HydrophobicContact CB-CB 4.39Å; L663-L686 HydrophobicContact CD2-CD1 3.97Å; L663-L686 HydrophobicContact CG-CD1 4.42Å; L663-L686 PolarHBondContact O-N 3.16Å |
| 664 | H | 88.6 | Confident | 81.9 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.319 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.7 | -173.7 | -57.4 | -75.5 | 0 | 0 | 0 | 110.6 | D655 T683 D685 | D655-H664 HydrophobicContact CB-CB 4.33Å; D655-H664 PolarHBondContact N-O 3.43Å; D655-H664 PolarHBondContact O-N 3.23Å; H664-T683 HydrophobicContact CB-CG2 4.31Å; H664-D685 IonicContact CE1-OD1 2.78Å; H664-D685 IonicContact CG-OD1 2.84Å; H664-D685 IonicContact ND1-OD1 3.24Å; H664-D685 PolarHBondContact ND1-OD1 3.02Å |
| 665 | I | 90.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 114.1 | -167.3 | -58.2 | 178.7 | 0 | 0 | 0 | 109.7 | I615 L621 V651 V654 L663 T683 L684 L686 | I615-I665 HydrophobicContact CD1-CD1 3.61Å; I615-I665 HydrophobicContact CG2-CD1 4.25Å; L621-I665 HydrophobicContact CD2-CB 4.27Å; L621-I665 HydrophobicContact CD2-CD1 3.43Å; L621-I665 VanDerWaalsContact CD2-CD1 3.43Å; L621-I665 HydrophobicContact CD2-CG1 4.42Å; L621-I665 HydrophobicContact CD2-CG2 3.95Å; V651-I665 HydrophobicContact CB-CG2 4.35Å; V651-I665 HydrophobicContact CG1-CG2 3.89Å; V651-I665 HydrophobicContact CG2-CG2 3.68Å; V654-I665 HydrophobicContact CG1-CG1 4.31Å; L663-I665 HydrophobicContact CD1-CG1 4.46Å; L663-I665 HydrophobicContact CD2-CD1 4.33Å; L663-I665 HydrophobicContact CG-CD1 4.04Å; L663-I665 HydrophobicContact CG-CG1 4.18Å; I665-T683 CarbonylContact O-C 3.57Å; I665-T683 WeakPolarHBondContact O-CA 3.42Å; I665-L684 HydrophobicContact CB-CB 4.41Å; I665-L684 PolarHBondContact N-O 3.23Å; I665-L684 PolarHBondContact O-N 3.14Å; I665-L686 HydrophobicContact CD1-CD1 3.65Å; I665-L686 HydrophobicContact CD1-CG 4.03Å |
| 666 | K | 89.1 | Confident | 81.4 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 143.1 | -175.4 | -67.5 | 161.9 | -174.5 | 148 | 0 | 110.6 | E652 R653 D655 H682 T683 | E652-K666 PolarHBondContact N-O 3Å; R653-K666 HydrophobicContact CB-CB 4.38Å; R653-K666 PolarHBondContact N-O 2.9Å; R653-K666 VanDerWaalsContact N-O 3.11Å; R653-K666 PolarHBondContact O-N 3.28Å; D655-K666 IonicContact OD2-NZ 3.98Å; D655-K666 PolarHBondContact OD2-NZ 2.78Å; K666-H682 WeakPolarHBondContact CA-O 3.3Å; K666-T683 HydrophobicContact CG-CG2 4.05Å |
| 667 | G | 89.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.7 | -169.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V649 T650 Y681 H682 | V649-G667 VanDerWaalsContact CG1-C 3.44Å; T650-G667 WeakPolarHBondContact O-CA 3.24Å; G667-Y681 WeakPolarHBondContact O-CA 3.09Å; G667-Y681 WeakPolarHBondContact O-CD1 3.28Å; G667-H682 PolarHBondContact N-O 3.39Å; G667-H682 PolarHBondContact O-N 3.13Å |
| 668 | R | 90.5 | Very high | 81.9 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.2 | 179.9 | -61.1 | 179.8 | -161.9 | -165 | 0.3 | 111.8 | V649 T650 E652 I670 Y681 | V649-R668 CarbonylContact C-O 3.59Å; V649-R668 VanDerWaalsContact CA-O 3.3Å; V649-R668 WeakPolarHBondContact CA-O 3.3Å; T650-R668 PolarHBondContact N-O 3.32Å; T650-R668 PolarHBondContact O-N 2.97Å; T650-R668 VanDerWaalsContact O-N 3.17Å; E652-R668 WeakPolarHBondContact OE1-CD 3.36Å; E652-R668 WeakPolarHBondContact OE1-CG 3.29Å; E652-R668 IonicContact OE1-CZ 2.68Å; E652-R668 IonicContact OE1-NE 3.49Å; E652-R668 PolarHBondContact OE1-NE 2.68Å; E652-R668 IonicContact OE1-NH2 3.45Å; E652-R668 PolarHBondContact OE1-NH2 3.14Å; R668-I670 PolarHBondContact O-N 2.86Å; R668-Y681 HydrophobicContact CG-CD1 4.23Å; R668-Y681 HydrophobicContact CG-CD2 4.36Å; R668-Y681 HydrophobicContact CG-CE1 3.94Å; R668-Y681 HydrophobicContact CG-CE2 4.07Å; R668-Y681 HydrophobicContact CG-CG 4.44Å; R668-Y681 PolarHBondContact NE-OH 3.32Å; R668-Y681 VanDerWaalsContact NE-OH 3.17Å; R668-Y681 PolarHBondContact NH2-OH 2.86Å |
| 669 | N | 91 | Very high | 82.5 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.2 | 176.1 | -179.1 | 65.2 | 0 | 0 | 0 | 111.6 | T648 V649 E671 V676 K677 G679 A680 | T648-N669 CarbonylContact O-C 3.49Å; T648-N669 WeakPolarHBondContact O-CA 3.3Å; T648-N669 PolarHBondContact O-OD1 2.87Å; V649-N669 HydrophobicContact CG2-CB 4.45Å; N669-E671 PolarHBondContact ND2-O 3.34Å; N669-E671 PolarHBondContact OD1-O 3.17Å; N669-V676 HydrophobicContact CB-CG1 4Å; N669-K677 PolarHBondContact ND2-O 2.89Å; N669-G679 PolarHBondContact O-N 2.93Å; N669-A680 WeakPolarHBondContact CB-O 3.49Å; N669-A680 PolarHBondContact N-O 3.38Å |
| 670 | I | 88.7 | Confident | 83.5 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | trans | -93.8 | -19 | -178.7 | 55.1 | 159.9 | 0 | 0 | 0 | 114.3 | N620 T648 T650 R668 L678 | N620-I670 HydrophobicContact CB-CD1 4.34Å; T648-I670 HydrophobicContact CG2-CD1 3.9Å; T648-I670 HydrophobicContact CG2-CG1 3.92Å; T648-I670 VanDerWaalsContact O-CG1 3.27Å; T648-I670 WeakPolarHBondContact O-CG1 3.28Å; T648-I670 PolarHBondContact O-N 2.86Å; T650-I670 WeakPolarHBondContact OG1-CG2 3.36Å; R668-I670 PolarHBondContact O-N 2.86Å; I670-L678 WeakPolarHBondContact O-CD1 3.26Å | ||
| 671 | E | 85.1 | Confident | 84.4 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -110.2 | 110.6 | 177.5 | -70 | -176.6 | 138.6 | 0 | 0 | 110.6 | R622 T648 N669 | R622-E671 IonicContact CZ-OE1 3.39Å; R622-E671 IonicContact CZ-OE2 3.91Å; R622-E671 IonicContact NE-OE2 2.75Å; R622-E671 PolarHBondContact NE-OE2 3.15Å; R622-E671 IonicContact NH2-OE1 3.19Å; R622-E671 PolarHBondContact NH2-OE1 3.07Å; R622-E671 IonicContact NH2-OE2 2.86Å; R622-E671 PolarHBondContact NH2-OE2 2.93Å; T648-E671 WeakPolarHBondContact CB-OE2 3.49Å; T648-E671 PolarHBondContact OG1-OE2 2.74Å; N669-E671 PolarHBondContact ND2-O 3.34Å; N669-E671 PolarHBondContact OD1-O 3.17Å |
| 672 | E | 83.1 | Confident | 85.2 | Confident | 125 Ų | 125 | 65.7 Ų | 65.7 | 58% | 0.584 | 32% | 0.316 | S | S | * | . | trans | -65.7 | 136.5 | 176.1 | -175.9 | 154.1 | -125.8 | 0 | 0 | 111.6 | K677 L678 | E672-K677 VanDerWaalsContact OE1-CA 3.25Å; E672-K677 WeakPolarHBondContact OE1-CA 3.11Å; E672-K677 WeakPolarHBondContact OE1-CB 3.32Å; E672-L678 HydrophobicContact CB-CB 4.16Å; E672-L678 PolarHBondContact OE1-N 2.79Å | ||
| 673 | N | 80.6 | Confident | 85.7 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -136.3 | 176.5 | 171.2 | 72 | 41.3 | 0 | 0 | 0 | 111 | T645 S646 L647 Y675 V676 | T645-N673 PolarHBondContact OG1-ND2 2.93Å; S646-N673 PolarHBondContact O-ND2 3.13Å; L647-N673 WeakPolarHBondContact CD2-ND2 3.49Å; N673-Y675 PolarHBondContact O-N 2.71Å; N673-Y675 PolarHBondContact OD1-N 3.43Å; N673-V676 PolarHBondContact N-O 3.1Å; N673-V676 PolarHBondContact O-N 3.17Å; N673-V676 PolarHBondContact OD1-N 2.78Å |
| 674 | Q | 80.5 | Confident | 85.8 | Confident | 172 Ų | 172 | 67 Ų | 67 | 80% | 0.804 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -13.9 | -175.2 | -64 | 176.4 | -4.6 | 0 | 0 | 115 | ||
| 675 | Y | 81.3 | Confident | 85.8 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 28% | 0.275 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -13.3 | -174.1 | -49.9 | -68.4 | 0 | 0 | 0 | 114.1 | R627 V629 V643 N673 | R627-Y675 PolarHBondContact NH1-O 2.92Å; V629-Y675 HydrophobicContact CB-CD1 4.37Å; V629-Y675 HydrophobicContact CG1-CD1 3.98Å; V629-Y675 HydrophobicContact CG1-CE1 4.34Å; V629-Y675 HydrophobicContact CG2-CD1 3.45Å; V629-Y675 VanDerWaalsContact CG2-CD1 3.45Å; V629-Y675 HydrophobicContact CG2-CE1 4.03Å; V629-Y675 HydrophobicContact CG2-CG 4Å; V643-Y675 HydrophobicContact CG1-CD2 4.21Å; V643-Y675 HydrophobicContact CG1-CE2 3.77Å; V643-Y675 HydrophobicContact CG2-CE1 4.29Å; N673-Y675 PolarHBondContact O-N 2.71Å; N673-Y675 PolarHBondContact OD1-N 3.43Å |
| 676 | V | 79.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -142.9 | 118.9 | -175.7 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | R627 L647 N669 N673 A680 | R627-V676 HydrophobicContact CG-CG2 3.75Å; L647-V676 HydrophobicContact CD1-CG2 4.21Å; L647-V676 HydrophobicContact CD2-CB 3.72Å; L647-V676 HydrophobicContact CD2-CG1 4.1Å; L647-V676 HydrophobicContact CD2-CG2 3.54Å; N669-V676 HydrophobicContact CB-CG1 4Å; N673-V676 PolarHBondContact N-O 3.1Å; N673-V676 PolarHBondContact O-N 3.17Å; N673-V676 PolarHBondContact OD1-N 2.78Å; V676-A680 HydrophobicContact CG1-CB 3.98Å |
| 677 | K | 82.6 | Confident | 85.4 | Confident | 156 Ų | 156 | 68.5 Ų | 68.5 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | trans | -70.1 | 161 | 178.7 | -63.7 | -170.2 | 176.2 | -174.7 | 0 | 112.5 | N669 E672 A680 | N669-K677 PolarHBondContact ND2-O 2.89Å; E672-K677 VanDerWaalsContact OE1-CA 3.25Å; E672-K677 WeakPolarHBondContact OE1-CA 3.11Å; E672-K677 WeakPolarHBondContact OE1-CB 3.32Å; K677-A680 WeakPolarHBondContact O-CB 3.49Å; K677-A680 PolarHBondContact O-N 3.37Å | ||
| 678 | L | 86.1 | Confident | 85.1 | Confident | 115 Ų | 115 | 71.7 Ų | 71.7 | 60% | 0.602 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 141.9 | 169.3 | -154.4 | 136.7 | 0 | 0 | 0 | 110.7 | I670 E672 A680 | I670-L678 WeakPolarHBondContact O-CD1 3.26Å; E672-L678 HydrophobicContact CB-CB 4.16Å; E672-L678 PolarHBondContact OE1-N 2.79Å; L678-A680 PolarHBondContact O-N 3.4Å |
| 679 | G | 82.6 | Confident | 84.9 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 38% | 0.381 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -3.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N669 | N669-G679 PolarHBondContact O-N 2.93Š|
| 680 | A | 85 | Confident | 84.7 | Confident | 28 Ų | 28 | 73.5 Ų | 73.5 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | trans | -69 | 132.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N669 V676 K677 L678 | N669-A680 WeakPolarHBondContact CB-O 3.49Å; N669-A680 PolarHBondContact N-O 3.38Å; V676-A680 HydrophobicContact CG1-CB 3.98Å; K677-A680 WeakPolarHBondContact O-CB 3.49Å; K677-A680 PolarHBondContact O-N 3.37Å; L678-A680 PolarHBondContact O-N 3.4Å | ||
| 681 | Y | 87.4 | Confident | 84.8 | Confident | 129 Ų | 129 | 76.8 Ų | 76.8 | 51% | 0.506 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 140.2 | 175.4 | -89.5 | -79.5 | 0 | 0 | 0 | 112.6 | E652 G667 R668 | E652-Y681 PolarHBondContact OE1-OH 2.92Å; E652-Y681 WeakPolarHBondContact OE2-CE1 3.48Å; E652-Y681 VanDerWaalsContact OE2-CZ 3.31Å; E652-Y681 PolarHBondContact OE2-OH 3.25Å; G667-Y681 WeakPolarHBondContact O-CA 3.09Å; G667-Y681 WeakPolarHBondContact O-CD1 3.28Å; R668-Y681 HydrophobicContact CG-CD1 4.23Å; R668-Y681 HydrophobicContact CG-CD2 4.36Å; R668-Y681 HydrophobicContact CG-CE1 3.94Å; R668-Y681 HydrophobicContact CG-CE2 4.07Å; R668-Y681 HydrophobicContact CG-CG 4.44Å; R668-Y681 PolarHBondContact NE-OH 3.32Å; R668-Y681 VanDerWaalsContact NE-OH 3.17Å; R668-Y681 PolarHBondContact NH2-OH 2.86Å |
| 682 | H | 84.2 | Confident | 85.2 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 158.8 | 173.9 | -151.5 | 48.5 | 0 | 0 | 0 | 112.6 | L647 K666 G667 | L647-H682 WeakPolarHBondContact CD1-CD2 3.43Å; K666-H682 WeakPolarHBondContact CA-O 3.3Å; G667-H682 PolarHBondContact N-O 3.39Å; G667-H682 PolarHBondContact O-N 3.13Å |
| 683 | T | 88.3 | Confident | 85.7 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 33% | 0.331 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.8 | 163.8 | -48 | 0 | 0 | 0 | 0 | 107.6 | H664 I665 K666 | H664-T683 HydrophobicContact CB-CG2 4.31Å; I665-T683 CarbonylContact O-C 3.57Å; I665-T683 WeakPolarHBondContact O-CA 3.42Å; K666-T683 HydrophobicContact CG-CG2 4.05Å |
| 684 | L | 88 | Confident | 86.3 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.3 | 167.1 | -67.4 | 175.8 | 0 | 0 | 0 | 108.3 | L621 A623 A625 L647 V649 I665 | L621-L684 HydrophobicContact CD2-CD1 4.05Å; L621-L684 HydrophobicContact CG-CD1 4.35Å; A623-L684 HydrophobicContact CB-CD1 4.17Å; A623-L684 HydrophobicContact CB-CD2 4.43Å; A625-L684 HydrophobicContact CB-CD2 3.86Å; L647-L684 HydrophobicContact CB-CD2 4.19Å; L647-L684 HydrophobicContact CD1-CD2 4.36Å; V649-L684 HydrophobicContact CB-CD1 3.74Å; V649-L684 HydrophobicContact CB-CG 4.49Å; V649-L684 HydrophobicContact CG2-CD1 3.66Å; V649-L684 HydrophobicContact CG2-CG 4.05Å; I665-L684 HydrophobicContact CB-CB 4.41Å; I665-L684 PolarHBondContact N-O 3.23Å; I665-L684 PolarHBondContact O-N 3.14Å |
| 685 | D | 87.9 | Confident | 86.8 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 47% | 0.465 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.3 | 169 | -50 | -46.1 | 0 | 0 | 0 | 107.5 | H664 | H664-D685 IonicContact CE1-OD1 2.78Å; H664-D685 IonicContact CG-OD1 2.84Å; H664-D685 IonicContact ND1-OD1 3.24Å; H664-D685 PolarHBondContact ND1-OD1 3.02Å |
| 686 | L | 87.7 | Confident | 87.1 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135.5 | 171.7 | -66 | -176.5 | 0 | 0 | 0 | 109.7 | M608 I615 L621 A623 L663 I665 F692 | M608-L686 HydrophobicContact CE-CB 4.15Å; M608-L686 HydrophobicContact SD-CB 4.01Å; I615-L686 HydrophobicContact CD1-CD1 3.83Å; L621-L686 HydrophobicContact CD2-CD1 4.43Å; L621-L686 HydrophobicContact CD2-CD2 4.42Å; A623-L686 HydrophobicContact CB-CD2 3.72Å; L663-L686 HydrophobicContact CB-CB 4.39Å; L663-L686 HydrophobicContact CD2-CD1 3.97Å; L663-L686 HydrophobicContact CG-CD1 4.42Å; L663-L686 PolarHBondContact O-N 3.16Å; I665-L686 HydrophobicContact CD1-CD1 3.65Å; I665-L686 HydrophobicContact CD1-CG 4.03Å; L686-F692 HydrophobicContact CD1-CD1 3.98Å; L686-F692 HydrophobicContact CD1-CD2 4.34Å; L686-F692 HydrophobicContact CD1-CE1 4.14Å; L686-F692 HydrophobicContact CD1-CE2 4.49Å; L686-F692 HydrophobicContact CD1-CG 4.09Å; L686-F692 HydrophobicContact CD1-CZ 4.4Å; L686-F692 HydrophobicContact CD2-CB 3.77Å; L686-F692 HydrophobicContact CD2-CD1 4.03Å; L686-F692 HydrophobicContact CD2-CG 3.98Å |
| 687 | E | 84 | Confident | 87.2 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | trans | -122.1 | 146.7 | -175.8 | -67 | 177.1 | -135.2 | 0 | 0 | 109.9 | R690 | E687-R690 HydrophobicContact CB-CB 4.4Å; E687-R690 HydrophobicContact CB-CG 4.1Å; E687-R690 PolarHBondContact O-N 2.92Å; E687-R690 IonicContact OE1-CZ 2.68Å; E687-R690 IonicContact OE1-NE 3.77Å; E687-R690 IonicContact OE1-NH1 3.27Å; E687-R690 PolarHBondContact OE1-NH1 3.02Å; E687-R690 IonicContact OE1-NH2 3.51Å; E687-R690 PolarHBondContact OE1-NH2 2.96Å; E687-R690 IonicContact OE2-CZ 2.81Å; E687-R690 IonicContact OE2-NE 3.84Å; E687-R690 PolarHBondContact OE2-NE 2.88Å; E687-R690 VanDerWaalsContact OE2-NE 3.1Å; E687-R690 IonicContact OE2-NH1 2.85Å; E687-R690 IonicContact OE2-NH2 2.65Å; E687-R690 PolarHBondContact OE2-NH2 3.45Å | ||
| 688 | L | 84.2 | Confident | 87.1 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 150.7 | 169.6 | -57.7 | -177.4 | 0 | 0 | 0 | 110.9 | P602 E604 T605 M608 R690 | P602-L688 HydrophobicContact CB-CD2 4.28Å; E604-L688 VanDerWaalsContact O-CD2 3.25Å; E604-L688 WeakPolarHBondContact O-CD2 3.2Å; T605-L688 HydrophobicContact CG2-CD1 4.07Å; M608-L688 HydrophobicContact CG-CD2 4.01Å; L688-R690 PolarHBondContact O-N 2.88Å; L688-R690 VanDerWaalsContact O-N 3.1Å |
| 689 | N | 85.5 | Confident | 87 | Confident | 114 Ų | 114 | 52.4 Ų | 52.4 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 15.4 | -174.2 | -61.4 | -58.9 | 0 | 0 | 0 | 114.8 | L601 P602 | L601-N689 VanDerWaalsContact CD1-C 3.48Å; P602-N689 WeakPolarHBondContact O-CA 3.27Å; P602-N689 PolarHBondContact O-N 3.43Å |
| 690 | R | 86.8 | Confident | 86.8 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 19% | 0.185 | 26% | 0.263 | C | S | . | . | trans | -115.3 | 117.5 | 170.4 | -65.6 | -159.8 | -172.3 | 163.9 | 14.3 | 112.3 | P602 S624 E687 L688 | P602-R690 VanDerWaalsContact CD-O 3.29Å; P602-R690 WeakPolarHBondContact CD-O 3.34Å; S624-R690 PolarHBondContact O-NH1 3.45Å; E687-R690 HydrophobicContact CB-CB 4.4Å; E687-R690 HydrophobicContact CB-CG 4.1Å; E687-R690 PolarHBondContact O-N 2.92Å; E687-R690 IonicContact OE1-CZ 2.68Å; E687-R690 IonicContact OE1-NE 3.77Å; E687-R690 IonicContact OE1-NH1 3.27Å; E687-R690 PolarHBondContact OE1-NH1 3.02Å; E687-R690 IonicContact OE1-NH2 3.51Å; E687-R690 PolarHBondContact OE1-NH2 2.96Å; E687-R690 IonicContact OE2-CZ 2.81Å; E687-R690 IonicContact OE2-NE 3.84Å; E687-R690 PolarHBondContact OE2-NE 2.88Å; E687-R690 VanDerWaalsContact OE2-NE 3.1Å; E687-R690 IonicContact OE2-NH1 2.85Å; E687-R690 IonicContact OE2-NH2 2.65Å; E687-R690 PolarHBondContact OE2-NH2 3.45Å; L688-R690 PolarHBondContact O-N 2.88Å; L688-R690 VanDerWaalsContact O-N 3.1Å | ||
| 691 | K | 91.8 | Very high | 86.6 | Confident | 140 Ų | 140 | 52.8 Ų | 52.8 | 61% | 0.609 | 27% | 0.268 | S | S | * | . | trans | -62.4 | 139 | 173.2 | 69.6 | -173.7 | 179.6 | -174.6 | 0 | 112.5 | L586 T599 L600 L601 | L586-K691 HydrophobicContact CD1-CB 3.69Å; L586-K691 HydrophobicContact CD1-CD 3.84Å; L586-K691 HydrophobicContact CD1-CG 4.41Å; T599-K691 HydrophobicContact CG2-CB 4.29Å; L600-K691 CarbonylContact O-C 3.59Å; L600-K691 WeakPolarHBondContact O-CA 3.38Å; L601-K691 HydrophobicContact CB-CB 4.49Å; L601-K691 HydrophobicContact CD1-CB 4.3Å | ||
| 692 | F | 92.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 164.2 | 168.8 | 60.7 | -92.4 | 0 | 0 | 0 | 109.6 | T599 L600 P602 M608 A611 I615 L621 R622 A623 L686 I694 | T599-F692 VanDerWaalsContact CA-O 3.32Å; T599-F692 WeakPolarHBondContact CA-O 3.25Å; T599-F692 WeakPolarHBondContact CG2-O 3.35Å; L600-F692 HydrophobicContact CB-CE1 4.27Å; L600-F692 HydrophobicContact CB-CE2 3.98Å; L600-F692 HydrophobicContact CB-CZ 3.78Å; L600-F692 HydrophobicContact CD1-CE2 3.97Å; L600-F692 HydrophobicContact CD1-CZ 4.07Å; L600-F692 HydrophobicContact CG-CE2 4.44Å; L600-F692 PolarHBondContact N-O 3.5Å; L600-F692 PolarHBondContact O-N 3.28Å; P602-F692 HydrophobicContact CB-CE1 4.42Å; P602-F692 HydrophobicContact CG-CD1 4.26Å; P602-F692 HydrophobicContact CG-CE1 3.84Å; M608-F692 HydrophobicContact CE-CE1 4.38Å; A611-F692 HydrophobicContact CB-CE1 4.32Å; A611-F692 HydrophobicContact CB-CE2 4.47Å; A611-F692 HydrophobicContact CB-CZ 3.7Å; I615-F692 HydrophobicContact CD1-CE2 4.32Å; L621-F692 HydrophobicContact CD1-CB 4.3Å; L621-F692 HydrophobicContact CD1-CD2 3.86Å; L621-F692 HydrophobicContact CD1-CG 4.44Å; R622-F692 CarbonylContact O-C 2.94Å; R622-F692 WeakPolarHBondContact O-CA 3.42Å; A623-F692 HydrophobicContact CB-CB 4.19Å; L686-F692 HydrophobicContact CD1-CD1 3.98Å; L686-F692 HydrophobicContact CD1-CD2 4.34Å; L686-F692 HydrophobicContact CD1-CE1 4.14Å; L686-F692 HydrophobicContact CD1-CE2 4.49Å; L686-F692 HydrophobicContact CD1-CG 4.09Å; L686-F692 HydrophobicContact CD1-CZ 4.4Å; L686-F692 HydrophobicContact CD2-CB 3.77Å; L686-F692 HydrophobicContact CD2-CD1 4.03Å; L686-F692 HydrophobicContact CD2-CG 3.98Å; F692-I694 HydrophobicContact CD2-CG1 3.99Å; F692-I694 HydrophobicContact CE2-CD1 3.92Å; F692-I694 HydrophobicContact CE2-CG1 3.84Å |
| 693 | T | 93.5 | Very high | 86.2 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.4 | 176.8 | -55 | 0 | 0 | 0 | 0 | 110.2 | Y597 V598 T599 R622 Y695 | Y597-T693 HydrophobicContact CD2-CG2 3.77Å; Y597-T693 HydrophobicContact CG-CG2 4.28Å; V598-T693 WeakPolarHBondContact O-CA 3.45Å; T599-T693 WeakPolarHBondContact CG2-OG1 3.28Å; T599-T693 WeakPolarHBondContact OG1-CG2 3.44Å; T599-T693 PolarHBondContact OG1-OG1 3.47Å; R622-T693 PolarHBondContact N-O 2.96Å; R622-T693 PolarHBondContact O-N 3.32Å; T693-Y695 HydrophobicContact CG2-CD2 4.15Å; T693-Y695 HydrophobicContact CG2-CE1 4.42Å; T693-Y695 HydrophobicContact CG2-CE2 3.57Å |
| 694 | I | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.8 | 172.7 | -47.6 | 171.4 | 0 | 0 | 0 | 107.6 | Y597 V598 L600 L614 I615 D619 L621 F692 K696 W699 | Y597-I694 VanDerWaalsContact CA-O 3.23Å; Y597-I694 WeakPolarHBondContact CA-O 3.41Å; Y597-I694 WeakPolarHBondContact CB-O 3.47Å; V598-I694 PolarHBondContact N-O 2.9Å; V598-I694 PolarHBondContact O-N 2.79Å; L600-I694 HydrophobicContact CD1-CD1 4.32Å; L614-I694 HydrophobicContact CB-CD1 3.86Å; I615-I694 HydrophobicContact CD1-CD1 4.15Å; I615-I694 HydrophobicContact CD1-CG1 4.27Å; I615-I694 HydrophobicContact CG1-CD1 3.47Å; I615-I694 VanDerWaalsContact CG1-CD1 3.47Å; I615-I694 HydrophobicContact CG1-CG1 3.87Å; D619-I694 HydrophobicContact CB-CG2 4.48Å; L621-I694 HydrophobicContact CD1-CG1 4.03Å; F692-I694 HydrophobicContact CD2-CG1 3.99Å; F692-I694 HydrophobicContact CE2-CD1 3.92Å; F692-I694 HydrophobicContact CE2-CG1 3.84Å; I694-K696 HydrophobicContact CG2-CG 3.95Å; I694-W699 HydrophobicContact CB-CH2 3.88Å; I694-W699 HydrophobicContact CB-CZ2 3.96Å; I694-W699 HydrophobicContact CD1-CH2 4.13Å; I694-W699 HydrophobicContact CG2-CH2 4.03Å; I694-W699 HydrophobicContact CG2-CZ2 4.04Å |
| 695 | Y | 91.7 | Very high | 85.8 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 28% | 0.282 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.4 | 170 | -61.1 | -100.9 | 0 | 0 | 0 | 108.2 | Y597 N620 R622 T693 | Y597-Y695 VanDerWaalsContact CB-CD1 3.42Å; Y597-Y695 HydrophobicContact CD1-CD1 4.46Å; Y597-Y695 HydrophobicContact CD1-CE1 4.12Å; Y597-Y695 HydrophobicContact CG-CD1 4.16Å; Y597-Y695 AromaticContact CG-CE1 3.86Å; Y597-Y695 HydrophobicContact CG-CE1 3.86Å; N620-Y695 PolarHBondContact N-O 2.92Å; N620-Y695 WeakPolarHBondContact O-CD2 3.26Å; N620-Y695 PolarHBondContact O-N 3.22Å; R622-Y695 HydrophobicContact CB-CE2 3.98Å; R622-Y695 PolarHBondContact NH1-OH 2.92Å; R622-Y695 VanDerWaalsContact NH1-OH 3.09Å; T693-Y695 HydrophobicContact CG2-CD2 4.15Å; T693-Y695 HydrophobicContact CG2-CE1 4.42Å; T693-Y695 HydrophobicContact CG2-CE2 3.57Å |
| 696 | K | 87.2 | Confident | 85.5 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.5 | 179.9 | -61.6 | -170.7 | 167.6 | -81.6 | 0 | 111.7 | G596 L614 D619 I694 C698 W699 H703 | G596-K696 PolarHBondContact N-O 3.29Å; G596-K696 PolarHBondContact O-N 3.07Å; L614-K696 WeakPolarHBondContact O-CE 3.4Å; L614-K696 PolarHBondContact O-NZ 2.89Å; D619-K696 IonicContact OD1-NZ 3.48Å; D619-K696 PolarHBondContact OD1-NZ 2.87Å; D619-K696 IonicContact OD2-NZ 2.64Å; D619-K696 PolarHBondContact OD2-NZ 3.19Å; I694-K696 HydrophobicContact CG2-CG 3.95Å; K696-C698 VanDerWaalsContact C-N 3.32Å; K696-W699 HydrophobicContact CB-CD2 4.37Å; K696-W699 HydrophobicContact CB-CG 4.44Å; K696-W699 HydrophobicContact CB-CZ2 4.27Å; K696-W699 HydrophobicContact CD-CD2 3.8Å; K696-W699 HydrophobicContact CD-CE3 3.91Å; K696-W699 HydrophobicContact CD-CG 4.43Å; K696-W699 HydrophobicContact CD-CH2 3.9Å; K696-W699 HydrophobicContact CD-CZ2 3.79Å; K696-W699 HydrophobicContact CD-CZ3 3.95Å; K696-W699 HydrophobicContact CG-CD2 4.25Å; K696-W699 HydrophobicContact CG-CH2 4.18Å; K696-W699 HydrophobicContact CG-CZ2 3.65Å; K696-H703 WeakPolarHBondContact CD-NE2 3.48Å; K696-H703 WeakPolarHBondContact CE-NE2 3.41Å; K696-H703 PolarHBondContact NZ-NE2 2.89Å |
| 697 | S | 81.4 | Confident | 85.4 | Confident | 99 Ų | 99 | 44.6 Ų | 44.6 | 69% | 0.692 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -71.5 | -24.9 | 168.6 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | A595 | A595-S697 VanDerWaalsContact CA-O 3.28Å; A595-S697 WeakPolarHBondContact CA-O 3.32Å; A595-S697 WeakPolarHBondContact CB-O 3.23Å; A595-S697 PolarHBondContact N-O 2.91Å |
| 698 | C | 81.1 | Confident | 85.3 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 31% | 0.311 | 23% | 0.234 | S | C | . | . | trans | -153.3 | 134.3 | 170.2 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | G594 K696 F905 | G594-C698 CarbonylContact O-C 3.54Å; G594-C698 WeakPolarHBondContact O-CA 3.26Å; K696-C698 VanDerWaalsContact C-N 3.32Å; C698-F905 HydrophobicContact CB-CE2 4.43Å | ||
| 699 | W | 84.8 | Confident | 84.9 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 5% | 0.045 | 23% | 0.229 | C | C | . | . | trans | -103.1 | 86.5 | 170 | -71 | 91.8 | 0 | 0 | 0 | 110.1 | F590 G594 G596 V598 L614 I694 K696 H703 I707 | F590-W699 HydrophobicContact CD1-CB 4.25Å; F590-W699 AromaticContact CD1-CD1 3.64Å; F590-W699 AromaticContact CD1-CG 3.94Å; F590-W699 HydrophobicContact CD1-CG 3.94Å; F590-W699 HydrophobicContact CE1-CB 3.87Å; F590-W699 AromaticContact CE1-CD1 3.47Å; F590-W699 VanDerWaalsContact CE1-CD1 3.47Å; F590-W699 AromaticContact CE1-CD2 3.8Å; F590-W699 HydrophobicContact CE1-CD2 3.8Å; F590-W699 AromaticContact CE1-CG 3.43Å; F590-W699 HydrophobicContact CE1-CG 3.43Å; F590-W699 VanDerWaalsContact CE1-CG 3.43Å; F590-W699 AromaticContact CE1-NE1 3.85Å; F590-W699 HydrophobicContact CZ-CB 4.27Å; F590-W699 HydrophobicContact CZ-CD2 4.39Å; F590-W699 HydrophobicContact CZ-CG 4.16Å; G594-W699 PolarHBondContact O-N 2.9Å; G596-W699 VanDerWaalsContact C-NE1 3.29Å; G596-W699 PolarHBondContact O-NE1 3.38Å; V598-W699 HydrophobicContact CB-CH2 3.8Å; V598-W699 HydrophobicContact CB-CZ2 3.85Å; V598-W699 HydrophobicContact CB-CZ3 4.43Å; V598-W699 HydrophobicContact CG2-CD2 3.99Å; V598-W699 HydrophobicContact CG2-CE3 4.07Å; V598-W699 HydrophobicContact CG2-CH2 3.6Å; V598-W699 HydrophobicContact CG2-CZ2 3.48Å; V598-W699 VanDerWaalsContact CG2-CZ2 3.48Å; V598-W699 HydrophobicContact CG2-CZ3 3.9Å; L614-W699 HydrophobicContact CD2-CZ3 4.45Å; I694-W699 HydrophobicContact CB-CH2 3.88Å; I694-W699 HydrophobicContact CB-CZ2 3.96Å; I694-W699 HydrophobicContact CD1-CH2 4.13Å; I694-W699 HydrophobicContact CG2-CH2 4.03Å; I694-W699 HydrophobicContact CG2-CZ2 4.04Å; K696-W699 HydrophobicContact CB-CD2 4.37Å; K696-W699 HydrophobicContact CB-CG 4.44Å; K696-W699 HydrophobicContact CB-CZ2 4.27Å; K696-W699 HydrophobicContact CD-CD2 3.8Å; K696-W699 HydrophobicContact CD-CE3 3.91Å; K696-W699 HydrophobicContact CD-CG 4.43Å; K696-W699 HydrophobicContact CD-CH2 3.9Å; K696-W699 HydrophobicContact CD-CZ2 3.79Å; K696-W699 HydrophobicContact CD-CZ3 3.95Å; K696-W699 HydrophobicContact CG-CD2 4.25Å; K696-W699 HydrophobicContact CG-CH2 4.18Å; K696-W699 HydrophobicContact CG-CZ2 3.65Å; W699-H703 HydrophobicContact CE3-CB 3.66Å; W699-H703 HydrophobicContact CZ3-CB 4.06Å; W699-I707 HydrophobicContact CE3-CD1 4.14Å; W699-I707 HydrophobicContact CZ3-CD1 3.72Å | ||
| 700 | D | 77.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 39.7 Ų | 39.7 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | trans | -64.3 | 165.6 | 173.1 | 65.5 | 21.8 | 0 | 0 | 0 | 114.1 | V702 H703 I704 R908 V912 | D700-V702 PolarHBondContact O-N 3.3Å; D700-V702 PolarHBondContact OD1-N 3.12Å; D700-H703 PolarHBondContact N-ND1 2.92Å; D700-H703 PolarHBondContact O-N 3.06Å; D700-H703 VanDerWaalsContact O-N 3.11Å; D700-H703 IonicContact OD1-CE1 3.55Å; D700-H703 IonicContact OD1-CG 3.9Å; D700-H703 PolarHBondContact OD1-N 3.44Å; D700-H703 IonicContact OD1-ND1 3.45Å; D700-H703 PolarHBondContact OD1-ND1 3.12Å; D700-H703 IonicContact OD2-ND1 2.7Å; D700-I704 PolarHBondContact O-N 2.61Å; D700-R908 IonicContact OD1-NH2 3.69Å; D700-R908 PolarHBondContact OD1-NH2 2.89Å; D700-R908 IonicContact OD2-CZ 2.61Å; D700-R908 IonicContact OD2-NE 3.43Å; D700-R908 PolarHBondContact OD2-NE 3.16Å; D700-R908 IonicContact OD2-NH2 2.71Å; D700-R908 PolarHBondContact OD2-NH2 2.83Å; D700-V912 HydrophobicContact CB-CG1 4.01Å; D700-V912 HydrophobicContact CB-CG2 4.37Å; D700-V912 VanDerWaalsContact OD2-CG2 3.26Å; D700-V912 WeakPolarHBondContact OD2-CG2 3.4Å | ||
| 701 | V | 80.5 | Confident | 84 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.1 | -36.1 | -179 | 176.1 | 0 | 0 | 0 | 0 | 112 | H703 I704 E705 E916 | V701-H703 PolarHBondContact O-N 2.86Å; V701-I704 PolarHBondContact O-N 2.64Å; V701-I704 VanDerWaalsContact O-N 3.12Å; V701-E705 HydrophobicContact CG1-CG 4.18Å; V701-E705 WeakPolarHBondContact O-CG 3.44Å; V701-E705 PolarHBondContact O-N 3.01Å; V701-E916 VanDerWaalsContact CG2-OE1 3.23Å; V701-E916 WeakPolarHBondContact CG2-OE1 3.35Å |
| 702 | V | 79.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -38 | -179.6 | -177 | 0 | 0 | 0 | 0 | 111.9 | D700 R706 F900 I927 | D700-V702 PolarHBondContact O-N 3.3Å; D700-V702 PolarHBondContact OD1-N 3.12Å; V702-R706 VanDerWaalsContact O-CB 3.26Å; V702-R706 WeakPolarHBondContact O-CB 3.45Å; V702-R706 PolarHBondContact O-N 3.03Å; V702-F900 HydrophobicContact CG1-CD1 4.23Å; V702-F900 HydrophobicContact CG1-CD2 4.11Å; V702-F900 HydrophobicContact CG1-CE1 4.46Å; V702-F900 HydrophobicContact CG1-CE2 4.35Å; V702-F900 HydrophobicContact CG1-CG 4.04Å; V702-F900 HydrophobicContact CG2-CD1 4.13Å; V702-F900 HydrophobicContact CG2-CE1 3.91Å; V702-F900 HydrophobicContact CG2-CZ 4.35Å; V702-I927 HydrophobicContact CG1-CD1 4.17Å |
| 703 | H | 84.8 | Confident | 81.2 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 170.2 | -59.5 | 113.8 | 0 | 0 | 0 | 112.1 | L614 K696 W699 D700 V701 R706 I707 R908 | L614-H703 HydrophobicContact CD2-CB 3.88Å; K696-H703 WeakPolarHBondContact CD-NE2 3.48Å; K696-H703 WeakPolarHBondContact CE-NE2 3.41Å; K696-H703 PolarHBondContact NZ-NE2 2.89Å; W699-H703 HydrophobicContact CE3-CB 3.66Å; W699-H703 HydrophobicContact CZ3-CB 4.06Å; D700-H703 PolarHBondContact N-ND1 2.92Å; D700-H703 PolarHBondContact O-N 3.06Å; D700-H703 VanDerWaalsContact O-N 3.11Å; D700-H703 IonicContact OD1-CE1 3.55Å; D700-H703 IonicContact OD1-CG 3.9Å; D700-H703 PolarHBondContact OD1-N 3.44Å; D700-H703 IonicContact OD1-ND1 3.45Å; D700-H703 PolarHBondContact OD1-ND1 3.12Å; D700-H703 IonicContact OD2-ND1 2.7Å; V701-H703 PolarHBondContact O-N 2.86Å; H703-R706 PolarHBondContact O-N 3.34Å; H703-I707 WeakPolarHBondContact O-CG1 3.46Å; H703-I707 PolarHBondContact O-N 2.94Å; H703-R908 PolarHBondContact CE1-NH1 3.47Å; H703-R908 PolarHBondContact CE1-NH2 3.25Å; H703-R908 PolarHBondContact ND1-NH2 3.01Å; H703-R908 PolarHBondContact NE2-NH1 3.43Å; H703-R908 PolarHBondContact NE2-NH2 3.33Å |
| 704 | I | 84.4 | Confident | 79.4 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.6 | -48.9 | -176 | -63.1 | 171.9 | 0 | 0 | 0 | 109.7 | D700 V701 R706 I707 E708 | D700-I704 PolarHBondContact O-N 2.61Å; V701-I704 PolarHBondContact O-N 2.64Å; V701-I704 VanDerWaalsContact O-N 3.12Å; I704-R706 VanDerWaalsContact C-N 3.32Å; I704-R706 PolarHBondContact O-N 3.42Å; I704-I707 WeakPolarHBondContact O-CB 3.44Å; I704-I707 PolarHBondContact O-N 2.67Å; I704-I707 VanDerWaalsContact O-N 3.16Å; I704-E708 WeakPolarHBondContact O-CG 3.48Å; I704-E708 PolarHBondContact O-N 2.88Å |
| 705 | E | 82.8 | Confident | 77.6 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 173.6 | -71.8 | 177.8 | 168.8 | 0 | 0 | 111.4 | V701 I707 E708 E709 K919 | V701-E705 HydrophobicContact CG1-CG 4.18Å; V701-E705 WeakPolarHBondContact O-CG 3.44Å; V701-E705 PolarHBondContact O-N 3.01Å; E705-I707 VanDerWaalsContact C-N 3.29Å; E705-I707 PolarHBondContact O-N 3.21Å; E705-E708 CarbonylContact O-C 3.57Å; E705-E708 PolarHBondContact O-N 2.95Å; E705-E708 VanDerWaalsContact O-N 3.1Å; E705-E709 WeakPolarHBondContact O-CG 3.4Å; E705-E709 PolarHBondContact O-N 2.87Å; E705-K919 IonicContact OE1-NZ 2.67Å; E705-K919 PolarHBondContact OE1-NZ 3.05Å; E705-K919 IonicContact OE2-NZ 3.35Å; E705-K919 PolarHBondContact OE2-NZ 3.36Å |
| 706 | R | 82.4 | Confident | 75.9 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -26.1 | 177.8 | -174.2 | 54.9 | 60.2 | 83.1 | 7.9 | 113.7 | H610 N613 L614 V702 H703 I704 E709 A710 | H610-R706 WeakPolarHBondContact ND1-CD 3.37Å; H610-R706 PolarHBondContact ND1-O 3.28Å; H610-R706 VanDerWaalsContact ND1-O 3.13Å; N613-R706 PolarHBondContact ND2-NH1 3.26Å; N613-R706 VanDerWaalsContact ND2-NH1 3.16Å; L614-R706 HydrophobicContact CD2-CB 4.18Å; L614-R706 HydrophobicContact CD2-CG 4.24Å; L614-R706 HydrophobicContact CG-CG 4.44Å; V702-R706 VanDerWaalsContact O-CB 3.26Å; V702-R706 WeakPolarHBondContact O-CB 3.45Å; V702-R706 PolarHBondContact O-N 3.03Å; H703-R706 PolarHBondContact O-N 3.34Å; I704-R706 VanDerWaalsContact C-N 3.32Å; I704-R706 PolarHBondContact O-N 3.42Å; R706-E709 WeakPolarHBondContact CD-OE2 3.41Å; R706-E709 IonicContact CZ-OE2 3.19Å; R706-E709 IonicContact NE-OE2 2.69Å; R706-E709 PolarHBondContact NE-OE2 3.38Å; R706-E709 IonicContact NH2-OE2 3.75Å; R706-A710 WeakPolarHBondContact O-CB 3.27Å; R706-A710 PolarHBondContact O-N 3.3Å |
| 707 | I | 84.6 | Confident | 74.4 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.7 | -42.4 | 168.7 | -69.8 | 160.9 | 0 | 0 | 0 | 110.3 | L585 V598 L600 L614 W699 H703 I704 E705 A710 C711 | L585-I707 HydrophobicContact CD2-CG2 4.5Å; V598-I707 HydrophobicContact CG1-CD1 4.11Å; V598-I707 HydrophobicContact CG2-CD1 4.19Å; L600-I707 HydrophobicContact CD2-CG2 4.34Å; L614-I707 HydrophobicContact CD1-CD1 4.39Å; L614-I707 HydrophobicContact CD1-CG1 3.61Å; L614-I707 HydrophobicContact CD2-CD1 4.42Å; L614-I707 HydrophobicContact CD2-CG1 4.01Å; L614-I707 HydrophobicContact CG-CG1 4.48Å; W699-I707 HydrophobicContact CE3-CD1 4.14Å; W699-I707 HydrophobicContact CZ3-CD1 3.72Å; H703-I707 WeakPolarHBondContact O-CG1 3.46Å; H703-I707 PolarHBondContact O-N 2.94Å; I704-I707 WeakPolarHBondContact O-CB 3.44Å; I704-I707 PolarHBondContact O-N 2.67Å; I704-I707 VanDerWaalsContact O-N 3.16Å; E705-I707 VanDerWaalsContact C-N 3.29Å; E705-I707 PolarHBondContact O-N 3.21Å; I707-A710 WeakPolarHBondContact O-CB 3.45Å; I707-A710 PolarHBondContact O-N 2.87Å; I707-A710 VanDerWaalsContact O-N 3.15Å; I707-C711 PolarHBondContact O-N 2.95Å; I707-C711 PolarHBondContact O-SG 3.38Å |
| 708 | E | 82.9 | Confident | 73.8 | Confident | 108 Ų | 108 | 43.2 Ų | 43.2 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.6 | -33.8 | -179.2 | -69.2 | -178.1 | 178.8 | 0 | 0 | 112 | K588 I704 E705 C711 N712 | K588-E708 IonicContact NZ-OE1 2.75Å; I704-E708 WeakPolarHBondContact O-CG 3.48Å; I704-E708 PolarHBondContact O-N 2.88Å; E705-E708 CarbonylContact O-C 3.57Å; E705-E708 PolarHBondContact O-N 2.95Å; E705-E708 VanDerWaalsContact O-N 3.1Å; E708-C711 PolarHBondContact O-N 3.44Å; E708-N712 WeakPolarHBondContact O-CB 3.39Å; E708-N712 PolarHBondContact O-N 2.85Å |
| 709 | E | 75 | Confident | 73.7 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 23% | 0.229 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -50.6 | 163 | -71.4 | -174.4 | 132.4 | 0 | 0 | 111 | E705 R706 C711 N712 K852 | E705-E709 WeakPolarHBondContact O-CG 3.4Å; E705-E709 PolarHBondContact O-N 2.87Å; R706-E709 WeakPolarHBondContact CD-OE2 3.41Å; R706-E709 IonicContact CZ-OE2 3.19Å; R706-E709 IonicContact NE-OE2 2.69Å; R706-E709 PolarHBondContact NE-OE2 3.38Å; R706-E709 IonicContact NH2-OE2 3.75Å; E709-C711 PolarHBondContact O-N 2.93Å; E709-N712 PolarHBondContact O-N 3.43Å; E709-K852 IonicContact OE1-NZ 2.83Å; E709-K852 PolarHBondContact OE1-NZ 3.34Å |
| 710 | A | 76.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -26.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | A582 M583 H610 R706 I707 | A582-A710 WeakPolarHBondContact CB-O 3.33Å; M583-A710 HydrophobicContact CB-CB 3.99Å; M583-A710 WeakPolarHBondContact CB-O 3.26Å; M583-A710 HydrophobicContact CE-CB 4.12Å; M583-A710 PolarHBondContact N-O 3.03Å; M583-A710 HydrophobicContact SD-CB 4.03Å; H610-A710 HydrophobicContact CB-CB 3.78Å; H610-A710 WeakPolarHBondContact ND1-CB 3.44Å; R706-A710 WeakPolarHBondContact O-CB 3.27Å; R706-A710 PolarHBondContact O-N 3.3Å; I707-A710 WeakPolarHBondContact O-CB 3.45Å; I707-A710 PolarHBondContact O-N 2.87Å; I707-A710 VanDerWaalsContact O-N 3.15Å |
| 711 | C | 77.6 | Confident | 74.3 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 30% | 0.304 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7.4 | 179 | -62.4 | 0 | 0 | 0 | 0 | 113 | M583 I707 E708 E709 I713 | M583-C711 PolarHBondContact O-SG 3.07Å; I707-C711 PolarHBondContact O-N 2.95Å; I707-C711 PolarHBondContact O-SG 3.38Å; E708-C711 PolarHBondContact O-N 3.44Å; E709-C711 PolarHBondContact O-N 2.93Å; C711-I713 PolarHBondContact O-N 3.32Å |
| 712 | N | 68.2 | Low | 74.8 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 35% | 0.348 | 21% | 0.205 | S | C | . | . | trans | -98.9 | 87.5 | -168.1 | -169.5 | 2.2 | 0 | 0 | 0 | 113.2 | E708 E709 A714 Q715 | E708-N712 WeakPolarHBondContact O-CB 3.39Å; E708-N712 PolarHBondContact O-N 2.85Å; E709-N712 PolarHBondContact O-N 3.43Å; N712-A714 PolarHBondContact O-N 3.42Å; N712-A714 WeakPolarHBondContact OD1-CB 3.38Å; N712-A714 PolarHBondContact OD1-N 3.31Å; N712-Q715 PolarHBondContact O-N 2.94Å | ||
| 713 | I | 57 | Low | 75.4 | Confident | 95 Ų | 95 | 36.7 Ų | 36.7 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -44.4 | -28.8 | 177.7 | -54.4 | 166.8 | 0 | 0 | 0 | 113.6 | S580 A582 C711 Q715 H716 | S580-I713 WeakPolarHBondContact O-CG2 3.26Å; A582-I713 HydrophobicContact CB-CB 4.41Å; A582-I713 HydrophobicContact CB-CG1 3.64Å; C711-I713 PolarHBondContact O-N 3.32Å; I713-Q715 VanDerWaalsContact C-N 3.25Å; I713-Q715 PolarHBondContact O-N 3.05Å; I713-H716 PolarHBondContact O-CD2 3Å |
| 714 | A | 54.9 | Low | 75.9 | Confident | 89 Ų | 89 | 36.5 Ų | 36.5 | 74% | 0.736 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -71.7 | -5.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | N712 | N712-A714 PolarHBondContact O-N 3.42Å; N712-A714 WeakPolarHBondContact OD1-CB 3.38Å; N712-A714 PolarHBondContact OD1-N 3.31Å |
| 715 | Q | 54.3 | Low | 76.2 | Confident | 89 Ų | 89 | 36.4 Ų | 36.4 | 42% | 0.416 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -110.1 | -5.3 | -171.9 | -60.2 | -165.9 | 6.7 | 0 | 0 | 116 | N712 I713 A717 P736 | N712-Q715 PolarHBondContact O-N 2.94Å; I713-Q715 VanDerWaalsContact C-N 3.25Å; I713-Q715 PolarHBondContact O-N 3.05Å; Q715-A717 PolarHBondContact O-N 2.89Å; Q715-P736 WeakPolarHBondContact O-CG 3.33Å |
| 716 | H | 57.2 | Low | 76.4 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -76.1 | 127.5 | -170 | -58.7 | -73.4 | 0 | 0 | 0 | 114.8 | E606 I713 D718 | E606-H716 IonicContact OE2-CE1 2.67Å; E606-H716 IonicContact OE2-CG 3.86Å; E606-H716 IonicContact OE2-ND1 3.1Å; E606-H716 PolarHBondContact OE2-ND1 2.83Å; I713-H716 PolarHBondContact O-CD2 3Å; H716-D718 PolarHBondContact O-N 3.46Å |
| 717 | A | 54.4 | Low | 76.6 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | trans | 48.4 | 58.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q715 L719 T735 | Q715-A717 PolarHBondContact O-N 2.89Å; A717-L719 PolarHBondContact O-N 2.74Å; A717-T735 HydrophobicContact CB-CG2 4.09Å | ||
| 718 | D | 69.6 | Low | 76.9 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 20% | 0.198 | 21% | 0.214 | C | C | . | . | trans | -62.8 | -20.2 | 176.1 | -80.7 | -20.8 | 0 | 0 | 0 | 116.2 | H716 K785 C786 T851 | H716-D718 PolarHBondContact O-N 3.46Å; D718-K785 HydrophobicContact CB-CB 4.47Å; D718-K785 HydrophobicContact CB-CD 4.11Å; D718-K785 HydrophobicContact CB-CG 4.35Å; D718-K785 VanDerWaalsContact CG-CD 3.47Å; D718-K785 VanDerWaalsContact CG-CE 3.5Å; D718-K785 PolarHBondContact O-N 2.8Å; D718-K785 VanDerWaalsContact OD1-CD 3.26Å; D718-K785 WeakPolarHBondContact OD1-CD 3.35Å; D718-K785 WeakPolarHBondContact OD1-CE 3.34Å; D718-K785 IonicContact OD1-NZ 3.58Å; D718-K785 PolarHBondContact OD1-NZ 2.63Å; D718-K785 IonicContact OD2-NZ 2.8Å; D718-K785 PolarHBondContact OD2-NZ 2.97Å; D718-C786 PolarHBondContact O-N 3.29Å; D718-T851 HydrophobicContact CB-CG2 4.06Å | ||
| 719 | L | 78.2 | Confident | 77.3 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.5 | -160.4 | -176.2 | 62.5 | 0 | 0 | 0 | 113.4 | A717 I734 C786 L788 L839 L848 | A717-L719 PolarHBondContact O-N 2.74Å; L719-I734 HydrophobicContact CB-CB 4.16Å; L719-I734 HydrophobicContact CD2-CB 4.15Å; L719-I734 HydrophobicContact CD2-CD1 3.72Å; L719-I734 HydrophobicContact CD2-CG2 4.21Å; L719-I734 HydrophobicContact CG-CB 4.25Å; L719-I734 HydrophobicContact CG-CD1 4.07Å; L719-I734 PolarHBondContact O-N 3.47Å; L719-C786 HydrophobicContact CD1-CB 3.94Å; L719-C786 WeakPolarHBondContact CD1-O 3.45Å; L719-L788 HydrophobicContact CD1-CD1 4.12Å; L719-L788 HydrophobicContact CD1-CD2 4.25Å; L719-L788 HydrophobicContact CD1-CG 3.82Å; L719-L788 HydrophobicContact CD2-CD1 4.25Å; L719-L839 HydrophobicContact CD2-CD2 3.73Å; L719-L848 HydrophobicContact CB-CD2 4.48Å; L719-L848 HydrophobicContact CD1-CD2 3.67Å; L719-L848 HydrophobicContact CD2-CD1 3.59Å; L719-L848 HydrophobicContact CD2-CD2 3.77Å; L719-L848 HydrophobicContact CD2-CG 4.35Å; L719-L848 HydrophobicContact CG-CD2 4.18Å |
| 720 | A | 85.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 152.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C732 L733 F779 I784 C786 V787 L788 | A720-C732 WeakPolarHBondContact CA-O 3.28Å; A720-L733 HydrophobicContact CB-CD2 3.83Å; A720-F779 HydrophobicContact CB-CD1 3.85Å; A720-F779 HydrophobicContact CB-CD2 3.99Å; A720-F779 HydrophobicContact CB-CE1 3.67Å; A720-F779 HydrophobicContact CB-CE2 3.82Å; A720-F779 HydrophobicContact CB-CG 4.03Å; A720-F779 HydrophobicContact CB-CZ 3.66Å; A720-I784 HydrophobicContact CB-CD1 3.76Å; A720-I784 HydrophobicContact CB-CG1 4.23Å; A720-I784 HydrophobicContact CB-CG2 3.92Å; A720-C786 PolarHBondContact N-O 3.05Å; A720-C786 VanDerWaalsContact N-O 3.07Å; A720-V787 HydrophobicContact CB-CG2 4.41Å; A720-V787 CarbonylContact O-C 3.53Å; A720-V787 WeakPolarHBondContact O-CA 3.4Å; A720-L788 PolarHBondContact O-N 2.6Å |
| 721 | A | 89.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 138.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C732 I734 L788 L835 | A721-C732 PolarHBondContact N-O 3.23Å; A721-C732 PolarHBondContact O-N 3.34Å; A721-I734 HydrophobicContact CB-CD1 3.97Å; A721-L788 CarbonylContact C-O 3.57Å; A721-L788 WeakPolarHBondContact CA-O 3.37Å; A721-L788 HydrophobicContact CB-CB 4.1Å; A721-L835 HydrophobicContact CB-CD2 3.71Å |
| 722 | V | 92.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 104.9 | 169.8 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | H730 V771 V775 F779 L788 V789 A790 | V722-H730 WeakPolarHBondContact CA-O 3.4Å; V722-V771 HydrophobicContact CG1-CG1 3.79Å; V722-V775 HydrophobicContact CG2-CG2 3.73Å; V722-F779 HydrophobicContact CG2-CE2 3.75Å; V722-F779 HydrophobicContact CG2-CZ 3.87Å; V722-L788 PolarHBondContact N-O 2.88Å; V722-V789 HydrophobicContact CB-CG2 4.44Å; V722-V789 WeakPolarHBondContact O-CA 3.49Å; V722-A790 PolarHBondContact O-N 3.34Å |
| 723 | V | 92.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.8 | 175.9 | -172 | 0 | 0 | 0 | 0 | 107.8 | A729 H730 S829 A834 L835 | V723-A729 CarbonylContact O-C 3.59Å; V723-A729 WeakPolarHBondContact O-CA 3.33Å; V723-H730 PolarHBondContact N-O 2.83Å; V723-H730 PolarHBondContact O-N 3.27Å; V723-S829 WeakPolarHBondContact CG1-O 3.49Å; V723-A834 HydrophobicContact CG1-CB 4.31Å; V723-L835 HydrophobicContact CG2-CD2 3.44Å; V723-L835 VanDerWaalsContact CG2-CD2 3.44Å; V723-L835 HydrophobicContact CG2-CG 3.81Å |
| 724 | M | 93.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.2 | -168.1 | 72.2 | -174 | -55.1 | 0 | 0 | 113.8 | L728 A729 F767 Y768 V789 A790 S791 P792 V795 F799 | M724-L728 CarbonylContact C-O 3.55Å; M724-L728 VanDerWaalsContact CA-O 3.27Å; M724-L728 WeakPolarHBondContact CA-O 3.2Å; M724-A729 HydrophobicContact CB-CB 3.76Å; M724-F767 HydrophobicContact CE-CE1 3.66Å; M724-F767 HydrophobicContact CE-CZ 4.03Å; M724-Y768 HydrophobicContact CE-CD1 4.22Å; M724-Y768 HydrophobicContact CE-CE1 4.02Å; M724-V789 HydrophobicContact SD-CG1 4.21Å; M724-A790 PolarHBondContact N-O 3.1Å; M724-S791 WeakPolarHBondContact O-CA 3.38Å; M724-S791 WeakPolarHBondContact O-CB 3.38Å; M724-P792 WeakPolarHBondContact O-CD 3.24Å; M724-V795 HydrophobicContact CE-CG1 3.87Å; M724-V795 HydrophobicContact CG-CG1 4.3Å; M724-V795 HydrophobicContact SD-CG1 4.33Å; M724-F799 HydrophobicContact CE-CB 3.77Å; M724-F799 HydrophobicContact CE-CD1 4.19Å; M724-F799 HydrophobicContact CE-CD2 4.35Å; M724-F799 HydrophobicContact CE-CG 3.82Å; M724-F799 HydrophobicContact SD-CB 3.84Å; M724-F799 HydrophobicContact SD-CD1 3.71Å; M724-F799 HydrophobicContact SD-CG 3.88Å |
| 725 | Q | 91.1 | Very high | 81.2 | Confident | 48 Ų | 48 | 19.9 Ų | 19.9 | 22% | 0.224 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 176.6 | 168.6 | 64.7 | -170.6 | 27.8 | 0 | 0 | 108.3 | G727 L728 F767 P792 | Q725-G727 PolarHBondContact O-N 3.36Å; Q725-L728 HydrophobicContact CG-CB 3.9Å; Q725-L728 HydrophobicContact CG-CD2 4.42Å; Q725-L728 PolarHBondContact N-O 2.9Å; Q725-L728 PolarHBondContact O-N 3.01Å; Q725-L728 VanDerWaalsContact O-N 3.11Å; Q725-L728 VanDerWaalsContact O-O 3.05Å; Q725-F767 WeakPolarHBondContact O-CE1 3.45Å; Q725-F767 VanDerWaalsContact O-CZ 3.27Å; Q725-F767 WeakPolarHBondContact O-CZ 3.44Å; Q725-P792 HydrophobicContact CB-CG 3.95Å |
| 726 | D | 86.2 | Confident | 81.7 | Confident | 115 Ų | 115 | 16.5 Ų | 16.5 | 62% | 0.615 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 107.1 | -179.8 | -74.1 | -33.7 | 0 | 0 | 0 | 111.7 | I749 | D726-I749 HydrophobicContact CB-CD1 4.49Š|
| 727 | G | 86.9 | Confident | 82 | Confident | 7 Ų | 7 | 15.8 Ų | 15.8 | 7% | 0.072 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -3.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q725 L747 F767 | Q725-G727 PolarHBondContact O-N 3.36Å; G727-L747 WeakPolarHBondContact CA-O 3.07Å; G727-L747 PolarHBondContact O-N 2.82Å; G727-F767 VanDerWaalsContact C-CE2 3.44Å |
| 728 | L | 91.4 | Very high | 82.6 | Confident | 9 Ų | 9 | 15.3 Ų | 15.3 | 5% | 0.047 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 131.1 | 179.6 | 173.4 | 70.2 | 0 | 0 | 0 | 111.5 | M724 Q725 K744 I745 D746 F831 | M724-L728 CarbonylContact C-O 3.55Å; M724-L728 VanDerWaalsContact CA-O 3.27Å; M724-L728 WeakPolarHBondContact CA-O 3.2Å; Q725-L728 HydrophobicContact CG-CB 3.9Å; Q725-L728 HydrophobicContact CG-CD2 4.42Å; Q725-L728 PolarHBondContact N-O 2.9Å; Q725-L728 PolarHBondContact O-N 3.01Å; Q725-L728 VanDerWaalsContact O-N 3.11Å; Q725-L728 VanDerWaalsContact O-O 3.05Å; L728-K744 HydrophobicContact CD1-CD 4.49Å; L728-K744 VanDerWaalsContact CD1-CE 3.42Å; L728-K744 HydrophobicContact CD1-CG 4.24Å; L728-I745 CarbonylContact C-O 3.58Å; L728-I745 WeakPolarHBondContact CA-O 3.3Å; L728-D746 HydrophobicContact CD1-CB 4.36Å; L728-F831 HydrophobicContact CD2-CD1 3.76Å; L728-F831 HydrophobicContact CD2-CE1 3.37Å; L728-F831 HydrophobicContact CD2-CE2 4.22Å; L728-F831 HydrophobicContact CD2-CG 4.33Å; L728-F831 HydrophobicContact CD2-CZ 3.62Å |
| 729 | A | 91.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 141.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V723 M724 K744 I745 F767 V771 | V723-A729 CarbonylContact O-C 3.59Å; V723-A729 WeakPolarHBondContact O-CA 3.33Å; M724-A729 HydrophobicContact CB-CB 3.76Å; A729-K744 WeakPolarHBondContact O-CA 3.47Å; A729-I745 HydrophobicContact CB-CB 4.46Å; A729-I745 PolarHBondContact N-O 3.5Å; A729-I745 PolarHBondContact O-N 3.38Å; A729-F767 HydrophobicContact CB-CE2 4.12Å; A729-F767 HydrophobicContact CB-CZ 4.03Å; A729-V771 HydrophobicContact CB-CG2 3.71Å |
| 730 | H | 91.2 | Very high | 82.4 | Confident | 20 Ų | 20 | 15.1 Ų | 15.1 | 9% | 0.093 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.7 | 170.9 | -63.5 | 86 | 0 | 0 | 0 | 109.3 | V722 V723 G830 F831 | V722-H730 WeakPolarHBondContact CA-O 3.4Å; V723-H730 PolarHBondContact N-O 2.83Å; V723-H730 PolarHBondContact O-N 3.27Å; H730-G830 PolarHBondContact ND1-O 2.92Å; H730-F831 AromaticContact CE1-CD1 3.84Å |
| 731 | V | 89.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 109.3 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | R742 A743 I745 A774 F779 | V731-R742 PolarHBondContact O-N 3.02Å; V731-A743 HydrophobicContact CB-CB 4.16Å; V731-A743 HydrophobicContact CG2-CB 4.47Å; V731-A743 PolarHBondContact N-O 3.49Å; V731-A743 PolarHBondContact O-N 3.21Å; V731-I745 HydrophobicContact CG2-CD1 4.47Å; V731-A774 HydrophobicContact CG2-CB 4Å; V731-F779 HydrophobicContact CG1-CD1 4.31Å; V731-F779 HydrophobicContact CG1-CE1 3.42Å; V731-F779 VanDerWaalsContact CG1-CE1 3.42Å; V731-F779 HydrophobicContact CG1-CE2 4.46Å; V731-F779 HydrophobicContact CG1-CZ 3.52Å |
| 732 | C | 85.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.5 | -168.9 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | A720 A721 T739 I740 L835 | A720-C732 WeakPolarHBondContact CA-O 3.28Å; A721-C732 PolarHBondContact N-O 3.23Å; A721-C732 PolarHBondContact O-N 3.34Å; C732-T739 HydrophobicContact CB-CG2 4.24Å; C732-I740 CarbonylContact C-O 3.56Å; C732-I740 VanDerWaalsContact CA-O 3.24Å; C732-I740 WeakPolarHBondContact CA-O 3.41Å; C732-L835 HydrophobicContact CB-CD1 4.38Å |
| 733 | L | 79.4 | Confident | 81.4 | Confident | 23 Ų | 23 | 24.1 Ų | 24.1 | 12% | 0.12 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.9 | 160.7 | -62.6 | 179.9 | 0 | 0 | 0 | 108.6 | A720 I740 R742 F779 I784 | A720-L733 HydrophobicContact CB-CD2 3.83Å; L733-I740 PolarHBondContact N-O 2.83Å; L733-I740 PolarHBondContact O-N 3.32Å; L733-R742 HydrophobicContact CD1-CG 3.91Å; L733-R742 HydrophobicContact CG-CG 3.92Å; L733-F779 HydrophobicContact CD2-CD1 3.69Å; L733-F779 HydrophobicContact CD2-CE1 3.85Å; L733-I784 HydrophobicContact CD2-CD1 4.07Å |
| 734 | I | 75.1 | Confident | 81.3 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.051 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 101.6 | -178.4 | -61.8 | 166 | 0 | 0 | 0 | 106.9 | L719 A721 T739 L835 L839 | L719-I734 HydrophobicContact CB-CB 4.16Å; L719-I734 HydrophobicContact CD2-CB 4.15Å; L719-I734 HydrophobicContact CD2-CD1 3.72Å; L719-I734 HydrophobicContact CD2-CG2 4.21Å; L719-I734 HydrophobicContact CG-CB 4.25Å; L719-I734 HydrophobicContact CG-CD1 4.07Å; L719-I734 PolarHBondContact O-N 3.47Å; A721-I734 HydrophobicContact CB-CD1 3.97Å; I734-T739 HydrophobicContact CG1-CG2 4.14Å; I734-L835 HydrophobicContact CD1-CD1 4.49Å; I734-L835 HydrophobicContact CD1-CD2 4.17Å; I734-L839 HydrophobicContact CD1-CD2 4.41Å |
| 735 | T | 69.7 | Low | 81.1 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | trans | -84.4 | 166.1 | 172.7 | 70.3 | 0 | 0 | 0 | 0 | 109.5 | E606 A717 S737 M738 I740 | E606-T735 PolarHBondContact OE1-OG1 3.38Å; A717-T735 HydrophobicContact CB-CG2 4.09Å; T735-S737 PolarHBondContact O-N 2.84Å; T735-S737 PolarHBondContact OG1-N 3.26Å; T735-M738 PolarHBondContact N-O 2.95Å; T735-M738 VanDerWaalsContact OG1-CG 3.26Å; T735-M738 WeakPolarHBondContact OG1-CG 3.48Å; T735-M738 PolarHBondContact OG1-N 3.46Å; T735-M738 PolarHBondContact OG1-O 2.93Å; T735-I740 HydrophobicContact CG2-CD1 3.81Å; T735-I740 HydrophobicContact CG2-CG1 4.36Å | ||
| 736 | P | 64.5 | Low | 81.1 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -54.5 | -33.6 | 169.5 | -25 | 35 | 0 | 0 | 0 | 113.2 | Q715 K852 | Q715-P736 WeakPolarHBondContact O-CG 3.33Å; P736-K852 HydrophobicContact CB-CB 4.27Å; P736-K852 HydrophobicContact CB-CD 4.31Å |
| 737 | S | 63 | Low | 81.1 | Confident | 7 Ų | 7 | 31 Ų | 31 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -98.3 | -25.4 | -167.7 | -44 | 0 | 0 | 0 | 0 | 114.1 | E606 W609 T735 S929 | E606-S737 WeakPolarHBondContact OE1-CB 3.49Å; E606-S737 PolarHBondContact OE1-OG 2.62Å; W609-S737 VanDerWaalsContact CZ3-CB 3.48Å; W609-S737 WeakPolarHBondContact CZ3-OG 3.32Å; T735-S737 PolarHBondContact O-N 2.84Å; T735-S737 PolarHBondContact OG1-N 3.26Å; S737-S929 WeakPolarHBondContact O-CB 3.21Å; S737-S929 PolarHBondContact O-OG 3.02Å |
| 738 | M | 67.3 | Low | 80.9 | Confident | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | trans | -164.3 | 152.8 | -171.6 | 53.1 | 169.9 | 159.9 | 0 | 0 | 114.3 | E606 W609 T735 I740 | E606-M738 HydrophobicContact CB-CE 4.05Å; E606-M738 HydrophobicContact CG-CE 4.03Å; W609-M738 HydrophobicContact CB-CE 4.17Å; T735-M738 PolarHBondContact N-O 2.95Å; T735-M738 VanDerWaalsContact OG1-CG 3.26Å; T735-M738 WeakPolarHBondContact OG1-CG 3.48Å; T735-M738 PolarHBondContact OG1-N 3.46Å; T735-M738 PolarHBondContact OG1-O 2.93Å; M738-I740 HydrophobicContact CE-CD1 4.01Å; M738-I740 HydrophobicContact CE-CG1 4.34Å; M738-I740 HydrophobicContact CG-CD1 4.5Å; M738-I740 HydrophobicContact CG-CG1 4.03Å; M738-I740 HydrophobicContact SD-CD1 4.21Å; M738-I740 HydrophobicContact SD-CG1 3.86Å | ||
| 739 | T | 72.5 | Confident | 80.5 | Confident | 20 Ų | 20 | 36 Ų | 36 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 105.1 | 168.3 | -52.5 | 0 | 0 | 0 | 0 | 111 | C732 I734 K832 L835 | C732-T739 HydrophobicContact CB-CG2 4.24Å; I734-T739 HydrophobicContact CG1-CG2 4.14Å; T739-K832 PolarHBondContact O-NZ 2.86Å; T739-L835 HydrophobicContact CG2-CD1 3.57Å |
| 740 | I | 71.6 | Confident | 79.8 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.4 | 179.7 | -52.6 | 174 | 0 | 0 | 0 | 109.4 | C732 L733 T735 M738 | C732-I740 CarbonylContact C-O 3.56Å; C732-I740 VanDerWaalsContact CA-O 3.24Å; C732-I740 WeakPolarHBondContact CA-O 3.41Å; L733-I740 PolarHBondContact N-O 2.83Å; L733-I740 PolarHBondContact O-N 3.32Å; T735-I740 HydrophobicContact CG2-CD1 3.81Å; T735-I740 HydrophobicContact CG2-CG1 4.36Å; M738-I740 HydrophobicContact CE-CD1 4.01Å; M738-I740 HydrophobicContact CE-CG1 4.34Å; M738-I740 HydrophobicContact CG-CD1 4.5Å; M738-I740 HydrophobicContact CG-CG1 4.03Å; M738-I740 HydrophobicContact SD-CD1 4.21Å; M738-I740 HydrophobicContact SD-CG1 3.86Å |
| 741 | V | 79.3 | Confident | 79 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 110.4 | 171.5 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | K832 | V741-K832 HydrophobicContact CG2-CD 3.98Å |
| 742 | R | 82.9 | Confident | 78.2 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -32 | 179.7 | -72.1 | -66.5 | -165.8 | -178.7 | -0.4 | 112.8 | V731 L733 H778 | V731-R742 PolarHBondContact O-N 3.02Å; L733-R742 HydrophobicContact CD1-CG 3.91Å; L733-R742 HydrophobicContact CG-CG 3.92Å; R742-H778 HydrophobicContact CB-CB 3.92Å; R742-H778 HydrophobicContact CG-CB 4.34Å |
| 743 | A | 84.6 | Confident | 77.5 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 144.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | V731 A774 | V731-A743 HydrophobicContact CB-CB 4.16Å; V731-A743 HydrophobicContact CG2-CB 4.47Å; V731-A743 PolarHBondContact N-O 3.49Å; V731-A743 PolarHBondContact O-N 3.21Å; A743-A774 HydrophobicContact CB-CB 4.09Å |
| 744 | K | 89.5 | Confident | 76.7 | Confident | 118 Ų | 118 | 71.8 Ų | 71.8 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.6 | 163.5 | -177.4 | -165.9 | 172.2 | -146.8 | 0 | 108 | L728 A729 D746 | L728-K744 HydrophobicContact CD1-CD 4.49Å; L728-K744 VanDerWaalsContact CD1-CE 3.42Å; L728-K744 HydrophobicContact CD1-CG 4.24Å; A729-K744 WeakPolarHBondContact O-CA 3.47Å; K744-D746 VanDerWaalsContact CE-OD2 3.26Å; K744-D746 WeakPolarHBondContact CE-OD2 3.48Å; K744-D746 IonicContact NZ-OD2 2.56Å; K744-D746 PolarHBondContact NZ-OD2 3.38Å |
| 745 | I | 89.7 | Confident | 75.7 | Confident | 19 Ų | 19 | 81.1 Ų | 81.1 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.8 | 178.2 | -64.3 | 159.9 | 0 | 0 | 0 | 107.6 | L728 A729 V731 L747 F767 S770 V771 A774 | L728-I745 CarbonylContact C-O 3.58Å; L728-I745 WeakPolarHBondContact CA-O 3.3Å; A729-I745 HydrophobicContact CB-CB 4.46Å; A729-I745 PolarHBondContact N-O 3.5Å; A729-I745 PolarHBondContact O-N 3.38Å; V731-I745 HydrophobicContact CG2-CD1 4.47Å; I745-L747 HydrophobicContact CG2-CD1 3.84Å; I745-L747 HydrophobicContact CG2-CG 4.15Å; I745-F767 HydrophobicContact CG2-CD2 4.02Å; I745-F767 HydrophobicContact CG2-CE2 4.06Å; I745-S770 WeakPolarHBondContact CD1-O 3.47Å; I745-V771 VanDerWaalsContact CD1-CA 3.5Å; I745-V771 HydrophobicContact CD1-CB 4.16Å; I745-V771 HydrophobicContact CD1-CG2 3.74Å; I745-V771 HydrophobicContact CG2-CG2 4.46Å; I745-A774 HydrophobicContact CD1-CB 3.76Å |
| 746 | D | 90.4 | Very high | 75.2 | Confident | 103 Ų | 103 | 84.6 Ų | 84.6 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 108 | -174.6 | -153.2 | -34.1 | 0 | 0 | 0 | 107.7 | L728 K744 | L728-D746 HydrophobicContact CD1-CB 4.36Å; K744-D746 VanDerWaalsContact CE-OD2 3.26Å; K744-D746 WeakPolarHBondContact CE-OD2 3.48Å; K744-D746 IonicContact NZ-OD2 2.56Å; K744-D746 PolarHBondContact NZ-OD2 3.38Å |
| 747 | L | 87.2 | Confident | 75.5 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | trans | -143.5 | 116.3 | -167.7 | -74.9 | 174.7 | 0 | 0 | 0 | 111.1 | G727 I745 I749 F767 S770 | G727-L747 WeakPolarHBondContact CA-O 3.07Å; G727-L747 PolarHBondContact O-N 2.82Å; I745-L747 HydrophobicContact CG2-CD1 3.84Å; I745-L747 HydrophobicContact CG2-CG 4.15Å; L747-I749 PolarHBondContact O-N 3.27Å; L747-I749 VanDerWaalsContact O-N 3.14Å; L747-F767 HydrophobicContact CB-CD2 4.21Å; L747-F767 HydrophobicContact CD1-CB 4.4Å; L747-F767 HydrophobicContact CD1-CD2 4.27Å; L747-S770 WeakPolarHBondContact CD1-OG 3.34Å | ||
| 748 | C | 81.5 | Confident | 76.2 | Confident | 92 Ų | 92 | 87.2 Ų | 87.2 | 62% | 0.622 | 41% | 0.412 | S | S | * | . | trans | -67.8 | 109.7 | -179.3 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 749 | I | 83.4 | Confident | 76.7 | Confident | 31 Ų | 31 | 91.6 Ų | 91.6 | 16% | 0.159 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 122.3 | 175.4 | -57.8 | -179.4 | 0 | 0 | 0 | 109.9 | D726 L747 R751 V764 F767 | D726-I749 HydrophobicContact CB-CD1 4.49Å; L747-I749 PolarHBondContact O-N 3.27Å; L747-I749 VanDerWaalsContact O-N 3.14Å; I749-R751 PolarHBondContact O-N 3.09Å; I749-V764 HydrophobicContact CD1-CG2 4.2Å; I749-V764 HydrophobicContact CG2-CG2 3.8Å; I749-F767 HydrophobicContact CD1-CB 4.11Å; I749-F767 HydrophobicContact CD1-CD1 3.88Å; I749-F767 HydrophobicContact CD1-CG 4.13Å; I749-F767 HydrophobicContact CG1-CB 4.46Å |
| 750 | P | 78 | Confident | 77.2 | Confident | 50 Ų | 50 | 92.7 Ų | 92.7 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 130.5 | 179.6 | -21.8 | 33.7 | 0 | 0 | 0 | 112.5 | K752 H760 | P750-K752 PolarHBondContact O-N 3.34Å; P750-H760 WeakPolarHBondContact O-CA 3.42Å; P750-H760 VanDerWaalsContact O-CB 3.28Å; P750-H760 WeakPolarHBondContact O-CB 3.49Å; P750-H760 PolarHBondContact O-CD2 2.91Å; P750-H760 VanDerWaalsContact O-CD2 3.23Å |
| 751 | R | 74.1 | Confident | 77.8 | Confident | 207 Ų | 207 | 94.8 Ų | 94.8 | 78% | 0.781 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 133.8 | 179.4 | -72 | -174.5 | 177.6 | 179.9 | -0.1 | 112.6 | I749 R753 | I749-R751 PolarHBondContact O-N 3.09Å; R751-R753 PolarHBondContact O-N 3.08Å |
| 752 | K | 73.6 | Confident | 78.2 | Confident | 138 Ų | 138 | 99.2 Ų | 99.2 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | trans | -60.1 | 113.9 | 179.4 | -163.4 | 170 | -173.4 | 167.7 | 0 | 111.9 | P750 T757 H760 | P750-K752 PolarHBondContact O-N 3.34Å; K752-T757 HydrophobicContact CD-CG2 4.42Å; K752-T757 HydrophobicContact CG-CG2 3.94Å; K752-H760 HydrophobicContact CB-CB 4.36Å | ||
| 753 | R | 71.2 | Confident | 78.4 | Confident | 158 Ų | 158 | 94.5 Ų | 94.5 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | B | Isolated β-bridge | trans | -87.3 | 147.5 | 178 | -59.5 | 179.2 | 175.5 | -175 | -3 | 110.3 | R751 F755 D756 | R751-R753 PolarHBondContact O-N 3.08Å; R753-F755 PolarHBondContact O-N 2.74Å; R753-D756 WeakPolarHBondContact CB-O 3.32Å; R753-D756 PolarHBondContact O-N 3.39Å |
| 754 | R | 61.2 | Low | 78.6 | Confident | 240 Ų | 240 | 94.5 Ų | 94.5 | 91% | 0.906 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.5 | -174.2 | -75.1 | -172 | 177.1 | -176.4 | -0.3 | 115.6 | ||
| 755 | F | 54.3 | Low | 78.6 | Confident | 207 Ų | 207 | 91.7 Ų | 91.7 | 91% | 0.908 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | -4.3 | -175.3 | -59.5 | -71.1 | 0 | 0 | 0 | 114.7 | R753 | R753-F755 PolarHBondContact O-N 2.74Š|
| 756 | D | 59 | Low | 78.7 | Confident | 80 Ų | 80 | 98.1 Ų | 98.1 | 43% | 0.428 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -145.4 | 108.8 | 175.6 | 176.1 | 18.3 | 0 | 0 | 0 | 108.8 | R753 G758 | R753-D756 WeakPolarHBondContact CB-O 3.32Å; R753-D756 PolarHBondContact O-N 3.39Å; D756-G758 PolarHBondContact OD1-N 3.22Å |
| 757 | T | 70.4 | Confident | 78.8 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | trans | -95.6 | -8.8 | 174.2 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | K752 Q759 H760 D761 | K752-T757 HydrophobicContact CD-CG2 4.42Å; K752-T757 HydrophobicContact CG-CG2 3.94Å; T757-Q759 VanDerWaalsContact C-N 3.26Å; T757-Q759 PolarHBondContact O-N 3.14Å; T757-Q759 VanDerWaalsContact O-N 3.09Å; T757-H760 WeakPolarHBondContact O-CA 3.31Å; T757-H760 WeakPolarHBondContact O-CB 3.37Å; T757-H760 PolarHBondContact O-N 2.92Å; T757-D761 WeakPolarHBondContact CB-OD2 3.49Å; T757-D761 PolarHBondContact O-N 3.26Å; T757-D761 PolarHBondContact OG1-OD2 3.16Å | ||
| 758 | G | 77.8 | Confident | 79.2 | Confident | 27 Ų | 27 | 90.5 Ų | 90.5 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.3 | -22.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115 | D756 K762 | D756-G758 PolarHBondContact OD1-N 3.22Å; G758-K762 WeakPolarHBondContact O-CB 3.43Å; G758-K762 VanDerWaalsContact O-CD 3.24Å; G758-K762 WeakPolarHBondContact O-CD 3.38Å; G758-K762 WeakPolarHBondContact O-CG 3.4Å |
| 759 | Q | 78.6 | Confident | 79.7 | Confident | 104 Ų | 104 | 87.9 Ų | 87.9 | 49% | 0.486 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -82.7 | -39.8 | 170.6 | -65.7 | -168.6 | -7.4 | 0 | 0 | 112.8 | T757 G763 | T757-Q759 VanDerWaalsContact C-N 3.26Å; T757-Q759 PolarHBondContact O-N 3.14Å; T757-Q759 VanDerWaalsContact O-N 3.09Å; Q759-G763 PolarHBondContact O-N 2.96Å |
| 760 | H | 84 | Confident | 80.1 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 20% | 0.199 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.1 | -52.2 | 174.7 | 167.3 | -85.7 | 0 | 0 | 0 | 110.4 | P750 K752 T757 K762 G763 V764 | P750-H760 WeakPolarHBondContact O-CA 3.42Å; P750-H760 VanDerWaalsContact O-CB 3.28Å; P750-H760 WeakPolarHBondContact O-CB 3.49Å; P750-H760 PolarHBondContact O-CD2 2.91Å; P750-H760 VanDerWaalsContact O-CD2 3.23Å; K752-H760 HydrophobicContact CB-CB 4.36Å; T757-H760 WeakPolarHBondContact O-CA 3.31Å; T757-H760 WeakPolarHBondContact O-CB 3.37Å; T757-H760 PolarHBondContact O-N 2.92Å; H760-K762 VanDerWaalsContact C-N 3.31Å; H760-K762 PolarHBondContact O-N 3.47Å; H760-G763 CarbonylContact O-C 3.49Å; H760-G763 WeakPolarHBondContact O-CA 3.45Å; H760-G763 PolarHBondContact O-N 3.41Å; H760-V764 PolarHBondContact O-N 2.84Å |
| 761 | D | 83.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 86 Ų | 86 | 34% | 0.337 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | -174.2 | -54.4 | -21.3 | 0 | 0 | 0 | 111.2 | T757 T765 | T757-D761 WeakPolarHBondContact CB-OD2 3.49Å; T757-D761 PolarHBondContact O-N 3.26Å; T757-D761 PolarHBondContact OG1-OD2 3.16Å; D761-T765 WeakPolarHBondContact O-CB 3.38Å; D761-T765 PolarHBondContact O-N 3.23Å; D761-T765 PolarHBondContact O-OG1 2.57Å |
| 762 | K | 87.3 | Confident | 81.6 | Confident | 152 Ų | 152 | 76.8 Ų | 76.8 | 66% | 0.661 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.7 | -35 | 168.9 | -76.2 | 175.2 | -172.5 | 176.4 | 0 | 113.1 | G758 H760 K766 | G758-K762 WeakPolarHBondContact O-CB 3.43Å; G758-K762 VanDerWaalsContact O-CD 3.24Å; G758-K762 WeakPolarHBondContact O-CD 3.38Å; G758-K762 WeakPolarHBondContact O-CG 3.4Å; H760-K762 VanDerWaalsContact C-N 3.31Å; H760-K762 PolarHBondContact O-N 3.47Å; K762-K766 WeakPolarHBondContact O-CG 3.14Å; K762-K766 PolarHBondContact O-N 3.12Å |
| 763 | G | 87 | Confident | 82.3 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.2 | -50.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q759 H760 T765 K766 F767 | Q759-G763 PolarHBondContact O-N 2.96Å; H760-G763 CarbonylContact O-C 3.49Å; H760-G763 WeakPolarHBondContact O-CA 3.45Å; H760-G763 PolarHBondContact O-N 3.41Å; G763-T765 VanDerWaalsContact C-N 3.33Å; G763-T765 PolarHBondContact O-N 2.9Å; G763-K766 PolarHBondContact O-N 3.17Å; G763-F767 PolarHBondContact O-N 2.98Å |
| 764 | V | 88.5 | Confident | 83.2 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 174.3 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | I749 H760 K766 F767 Y768 | I749-V764 HydrophobicContact CD1-CG2 4.2Å; I749-V764 HydrophobicContact CG2-CG2 3.8Å; H760-V764 PolarHBondContact O-N 2.84Å; V764-K766 PolarHBondContact O-N 3.43Å; V764-F767 PolarHBondContact O-N 2.89Å; V764-Y768 HydrophobicContact CG1-CD1 4.47Å; V764-Y768 HydrophobicContact CG1-CD2 3.89Å; V764-Y768 HydrophobicContact CG1-CE1 4.07Å; V764-Y768 HydrophobicContact CG1-CE2 3.45Å; V764-Y768 VanDerWaalsContact CG1-CE2 3.45Å; V764-Y768 HydrophobicContact CG1-CG 4.38Å; V764-Y768 PolarHBondContact O-N 3.22Å |
| 765 | T | 90.1 | Very high | 84.5 | Confident | 58 Ų | 58 | 58 Ų | 58 | 36% | 0.356 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 177.8 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | D761 G763 F767 Y768 D769 Y802 | D761-T765 WeakPolarHBondContact O-CB 3.38Å; D761-T765 PolarHBondContact O-N 3.23Å; D761-T765 PolarHBondContact O-OG1 2.57Å; G763-T765 VanDerWaalsContact C-N 3.33Å; G763-T765 PolarHBondContact O-N 2.9Å; T765-F767 PolarHBondContact O-N 3.05Å; T765-Y768 PolarHBondContact O-N 3.01Å; T765-D769 WeakPolarHBondContact O-CB 3.49Å; T765-D769 PolarHBondContact O-N 3.42Å; T765-Y802 HydrophobicContact CG2-CE2 4.16Å; T765-Y802 WeakPolarHBondContact CG2-OH 3.48Å |
| 766 | K | 91 | Very high | 86.1 | Confident | 154 Ų | 154 | 51.2 Ų | 51.2 | 67% | 0.67 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 176.4 | -79.7 | -172.5 | 170.9 | -163.5 | 0 | 112.6 | K762 G763 V764 D769 S770 | K762-K766 WeakPolarHBondContact O-CG 3.14Å; K762-K766 PolarHBondContact O-N 3.12Å; G763-K766 PolarHBondContact O-N 3.17Å; V764-K766 PolarHBondContact O-N 3.43Å; K766-D769 PolarHBondContact O-N 3.48Å; K766-S770 PolarHBondContact O-N 3.05Å; K766-S770 PolarHBondContact O-OG 3.15Å; K766-S770 VanDerWaalsContact O-OG 3.11Å |
| 767 | F | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 178.2 | 173.7 | -120.8 | 0 | 0 | 0 | 111.3 | M724 Q725 G727 A729 I745 L747 I749 G763 V764 T765 D769 S770 V771 | M724-F767 HydrophobicContact CE-CE1 3.66Å; M724-F767 HydrophobicContact CE-CZ 4.03Å; Q725-F767 WeakPolarHBondContact O-CE1 3.45Å; Q725-F767 VanDerWaalsContact O-CZ 3.27Å; Q725-F767 WeakPolarHBondContact O-CZ 3.44Å; G727-F767 VanDerWaalsContact C-CE2 3.44Å; A729-F767 HydrophobicContact CB-CE2 4.12Å; A729-F767 HydrophobicContact CB-CZ 4.03Å; I745-F767 HydrophobicContact CG2-CD2 4.02Å; I745-F767 HydrophobicContact CG2-CE2 4.06Å; L747-F767 HydrophobicContact CB-CD2 4.21Å; L747-F767 HydrophobicContact CD1-CB 4.4Å; L747-F767 HydrophobicContact CD1-CD2 4.27Å; I749-F767 HydrophobicContact CD1-CB 4.11Å; I749-F767 HydrophobicContact CD1-CD1 3.88Å; I749-F767 HydrophobicContact CD1-CG 4.13Å; I749-F767 HydrophobicContact CG1-CB 4.46Å; G763-F767 PolarHBondContact O-N 2.98Å; V764-F767 PolarHBondContact O-N 2.89Å; T765-F767 PolarHBondContact O-N 3.05Å; F767-D769 VanDerWaalsContact C-N 3.32Å; F767-D769 PolarHBondContact O-N 3.04Å; F767-S770 PolarHBondContact O-N 2.96Å; F767-V771 HydrophobicContact CD2-CG2 4.34Å; F767-V771 HydrophobicContact CE2-CG2 4.04Å; F767-V771 HydrophobicContact CZ-CG2 4.27Å; F767-V771 WeakPolarHBondContact O-CG2 3.29Å; F767-V771 PolarHBondContact O-N 2.83Å |
| 768 | Y | 94.7 | Very high | 87.9 | Confident | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 177.3 | -67 | -9.5 | 0 | 0 | 0 | 112.8 | M724 V764 T765 V771 M772 V795 Q798 F799 Y802 | M724-Y768 HydrophobicContact CE-CD1 4.22Å; M724-Y768 HydrophobicContact CE-CE1 4.02Å; V764-Y768 HydrophobicContact CG1-CD1 4.47Å; V764-Y768 HydrophobicContact CG1-CD2 3.89Å; V764-Y768 HydrophobicContact CG1-CE1 4.07Å; V764-Y768 HydrophobicContact CG1-CE2 3.45Å; V764-Y768 VanDerWaalsContact CG1-CE2 3.45Å; V764-Y768 HydrophobicContact CG1-CG 4.38Å; V764-Y768 PolarHBondContact O-N 3.22Å; T765-Y768 PolarHBondContact O-N 3.01Å; Y768-V771 PolarHBondContact O-N 2.91Å; Y768-M772 WeakPolarHBondContact O-CB 3.48Å; Y768-M772 PolarHBondContact O-N 3.01Å; Y768-V795 HydrophobicContact CE1-CG1 4.25Å; Y768-Q798 HydrophobicContact CE2-CB 4.17Å; Y768-Q798 VanDerWaalsContact OH-CB 3.26Å; Y768-Q798 WeakPolarHBondContact OH-CB 3.39Å; Y768-F799 HydrophobicContact CD1-CB 4.03Å; Y768-F799 AromaticContact CD1-CD2 3.79Å; Y768-F799 HydrophobicContact CD1-CD2 3.79Å; Y768-F799 HydrophobicContact CD1-CG 4.31Å; Y768-F799 HydrophobicContact CE1-CB 3.87Å; Y768-F799 HydrophobicContact CE1-CD2 4.48Å; Y768-F799 HydrophobicContact CE2-CB 4.45Å; Y768-F799 HydrophobicContact CG-CB 4.42Å; Y768-F799 AromaticContact CG-CD2 3.81Å; Y768-F799 HydrophobicContact CG-CD2 3.81Å; Y768-Y802 HydrophobicContact CD2-CD1 4.03Å; Y768-Y802 HydrophobicContact CD2-CD2 4.26Å; Y768-Y802 AromaticContact CD2-CG 3.76Å; Y768-Y802 HydrophobicContact CD2-CG 3.76Å; Y768-Y802 HydrophobicContact CG-CD1 4.28Å; Y768-Y802 HydrophobicContact CG-CG 4.46Å |
| 769 | D | 91.5 | Very high | 88.3 | Confident | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.3 | -91 | -14.2 | 0 | 0 | 0 | 112.7 | T765 K766 F767 V771 M772 Q773 Y802 K806 | T765-D769 WeakPolarHBondContact O-CB 3.49Å; T765-D769 PolarHBondContact O-N 3.42Å; K766-D769 PolarHBondContact O-N 3.48Å; F767-D769 VanDerWaalsContact C-N 3.32Å; F767-D769 PolarHBondContact O-N 3.04Å; D769-V771 VanDerWaalsContact C-N 3.35Å; D769-V771 PolarHBondContact O-N 3.43Å; D769-M772 PolarHBondContact O-N 3.47Å; D769-Q773 WeakPolarHBondContact O-CB 3.32Å; D769-Q773 WeakPolarHBondContact O-CG 3.37Å; D769-Q773 PolarHBondContact O-N 3.45Å; D769-Y802 PolarHBondContact OD1-OH 3.04Å; D769-K806 WeakPolarHBondContact OD1-CD 3.24Å; D769-K806 WeakPolarHBondContact OD1-CE 3.22Å; D769-K806 IonicContact OD1-NZ 3.69Å; D769-K806 PolarHBondContact OD1-NZ 2.71Å; D769-K806 IonicContact OD2-NZ 3.87Å; D769-K806 PolarHBondContact OD2-NZ 2.74Å |
| 770 | S | 92 | Very high | 88.3 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | I745 L747 K766 F767 Q773 A774 | I745-S770 WeakPolarHBondContact CD1-O 3.47Å; L747-S770 WeakPolarHBondContact CD1-OG 3.34Å; K766-S770 PolarHBondContact O-N 3.05Å; K766-S770 PolarHBondContact O-OG 3.15Å; K766-S770 VanDerWaalsContact O-OG 3.11Å; F767-S770 PolarHBondContact O-N 2.96Å; S770-Q773 PolarHBondContact O-N 3.46Å; S770-A774 PolarHBondContact O-N 2.79Å |
| 771 | V | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | V722 A729 I745 F767 Y768 D769 Q773 A774 V775 F799 | V722-V771 HydrophobicContact CG1-CG1 3.79Å; A729-V771 HydrophobicContact CB-CG2 3.71Å; I745-V771 VanDerWaalsContact CD1-CA 3.5Å; I745-V771 HydrophobicContact CD1-CB 4.16Å; I745-V771 HydrophobicContact CD1-CG2 3.74Å; I745-V771 HydrophobicContact CG2-CG2 4.46Å; F767-V771 HydrophobicContact CD2-CG2 4.34Å; F767-V771 HydrophobicContact CE2-CG2 4.04Å; F767-V771 HydrophobicContact CZ-CG2 4.27Å; F767-V771 WeakPolarHBondContact O-CG2 3.29Å; F767-V771 PolarHBondContact O-N 2.83Å; Y768-V771 PolarHBondContact O-N 2.91Å; D769-V771 VanDerWaalsContact C-N 3.35Å; D769-V771 PolarHBondContact O-N 3.43Å; V771-Q773 PolarHBondContact O-N 3.24Å; V771-A774 PolarHBondContact O-N 3.2Å; V771-V775 HydrophobicContact CG1-CG2 4.5Å; V771-V775 WeakPolarHBondContact O-CG2 3.38Å; V771-V775 PolarHBondContact O-N 2.89Å; V771-F799 HydrophobicContact CB-CD2 4.47Å; V771-F799 HydrophobicContact CB-CE2 3.79Å; V771-F799 HydrophobicContact CB-CZ 3.93Å; V771-F799 HydrophobicContact CG1-CE1 3.83Å; V771-F799 HydrophobicContact CG1-CE2 3.79Å; V771-F799 HydrophobicContact CG1-CZ 3.42Å; V771-F799 VanDerWaalsContact CG1-CZ 3.42Å |
| 772 | M | 91.3 | Very high | 87.8 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.9 | -172.7 | -178.7 | 75.5 | 0 | 0 | 111.8 | Y768 D769 V775 V776 F799 M803 K806 L815 | Y768-M772 WeakPolarHBondContact O-CB 3.48Å; Y768-M772 PolarHBondContact O-N 3.01Å; D769-M772 PolarHBondContact O-N 3.47Å; M772-V775 PolarHBondContact O-N 3.47Å; M772-V776 WeakPolarHBondContact O-CG2 3.26Å; M772-V776 PolarHBondContact O-N 2.78Å; M772-F799 HydrophobicContact CB-CE2 4.48Å; M772-M803 HydrophobicContact CG-CG 4.13Å; M772-M803 HydrophobicContact SD-CG 4.38Å; M772-K806 HydrophobicContact CE-CD 3.7Å; M772-K806 HydrophobicContact CE-CG 3.95Å; M772-K806 HydrophobicContact SD-CB 4.25Å; M772-K806 HydrophobicContact SD-CD 4.27Å; M772-K806 HydrophobicContact SD-CG 4.17Å; M772-L815 HydrophobicContact CG-CD1 4.16Å; M772-L815 HydrophobicContact SD-CD1 4.36Å |
| 773 | Q | 89.6 | Confident | 87 | Confident | 130 Ų | 130 | 53.2 Ų | 53.2 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 176.2 | -74.4 | 177.1 | 2.1 | 0 | 0 | 112.2 | D769 S770 V771 V776 R777 | D769-Q773 WeakPolarHBondContact O-CB 3.32Å; D769-Q773 WeakPolarHBondContact O-CG 3.37Å; D769-Q773 PolarHBondContact O-N 3.45Å; S770-Q773 PolarHBondContact O-N 3.46Å; V771-Q773 PolarHBondContact O-N 3.24Å; Q773-V776 PolarHBondContact O-N 3.23Å; Q773-R777 WeakPolarHBondContact O-CB 3.3Å; Q773-R777 PolarHBondContact O-N 2.84Å |
| 774 | A | 88.9 | Confident | 86.5 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V731 A743 I745 S770 V771 R777 H778 | V731-A774 HydrophobicContact CG2-CB 4Å; A743-A774 HydrophobicContact CB-CB 4.09Å; I745-A774 HydrophobicContact CD1-CB 3.76Å; S770-A774 PolarHBondContact O-N 2.79Å; V771-A774 PolarHBondContact O-N 3.2Å; A774-R777 PolarHBondContact O-N 3.19Å; A774-H778 WeakPolarHBondContact O-CB 3.44Å; A774-H778 PolarHBondContact O-CD2 2.81Å; A774-H778 PolarHBondContact O-N 2.77Å |
| 775 | V | 89.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 172.8 | 163.5 | 0 | 0 | 0 | 0 | 110.7 | V722 V771 M772 R777 H778 F779 F781 L815 | V722-V775 HydrophobicContact CG2-CG2 3.73Å; V771-V775 HydrophobicContact CG1-CG2 4.5Å; V771-V775 WeakPolarHBondContact O-CG2 3.38Å; V771-V775 PolarHBondContact O-N 2.89Å; M772-V775 PolarHBondContact O-N 3.47Å; V775-R777 VanDerWaalsContact C-N 3.27Å; V775-R777 PolarHBondContact O-N 3.34Å; V775-H778 PolarHBondContact O-N 3.26Å; V775-F779 HydrophobicContact CB-CD2 4.37Å; V775-F779 HydrophobicContact CG1-CD2 3.86Å; V775-F779 HydrophobicContact CG1-CE2 4.35Å; V775-F779 HydrophobicContact CG2-CD2 4.29Å; V775-F779 HydrophobicContact CG2-CE2 3.99Å; V775-F779 WeakPolarHBondContact O-CB 3.36Å; V775-F779 PolarHBondContact O-N 2.98Å; V775-F781 HydrophobicContact CG1-CZ 3.94Å; V775-L815 HydrophobicContact CG1-CD2 4.19Å |
| 776 | V | 87.5 | Confident | 85.4 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66 | -28.2 | -179.5 | 175 | 0 | 0 | 0 | 0 | 112.6 | M772 Q773 L815 | M772-V776 WeakPolarHBondContact O-CG2 3.26Å; M772-V776 PolarHBondContact O-N 2.78Å; Q773-V776 PolarHBondContact O-N 3.23Å; V776-L815 HydrophobicContact CG2-CD1 3.75Å; V776-L815 HydrophobicContact CG2-CD2 4.34Å; V776-L815 HydrophobicContact CG2-CG 4.06Å |
| 777 | R | 85.1 | Confident | 85.2 | Confident | 203 Ų | 203 | 48.4 Ų | 48.4 | 77% | 0.766 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -80 | -28.7 | 178.5 | -173.4 | 178.1 | -176.3 | -172.9 | 1.9 | 114.1 | Q773 A774 V775 | Q773-R777 WeakPolarHBondContact O-CB 3.3Å; Q773-R777 PolarHBondContact O-N 2.84Å; A774-R777 PolarHBondContact O-N 3.19Å; V775-R777 VanDerWaalsContact C-N 3.27Å; V775-R777 PolarHBondContact O-N 3.34Å |
| 778 | H | 82.6 | Confident | 85 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -120.4 | -11.8 | -167.4 | -61.7 | -57.4 | 0 | 0 | 0 | 115.3 | R742 A774 V775 | R742-H778 HydrophobicContact CB-CB 3.92Å; R742-H778 HydrophobicContact CG-CB 4.34Å; A774-H778 WeakPolarHBondContact O-CB 3.44Å; A774-H778 PolarHBondContact O-CD2 2.81Å; A774-H778 PolarHBondContact O-N 2.77Å; V775-H778 PolarHBondContact O-N 3.26Å |
| 779 | F | 85.7 | Confident | 85 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | trans | -107.2 | 107.5 | 177.6 | -65 | -6.6 | 0 | 0 | 0 | 110.5 | A720 V722 V731 L733 V775 F781 I784 V787 | A720-F779 HydrophobicContact CB-CD1 3.85Å; A720-F779 HydrophobicContact CB-CD2 3.99Å; A720-F779 HydrophobicContact CB-CE1 3.67Å; A720-F779 HydrophobicContact CB-CE2 3.82Å; A720-F779 HydrophobicContact CB-CG 4.03Å; A720-F779 HydrophobicContact CB-CZ 3.66Å; V722-F779 HydrophobicContact CG2-CE2 3.75Å; V722-F779 HydrophobicContact CG2-CZ 3.87Å; V731-F779 HydrophobicContact CG1-CD1 4.31Å; V731-F779 HydrophobicContact CG1-CE1 3.42Å; V731-F779 VanDerWaalsContact CG1-CE1 3.42Å; V731-F779 HydrophobicContact CG1-CE2 4.46Å; V731-F779 HydrophobicContact CG1-CZ 3.52Å; L733-F779 HydrophobicContact CD2-CD1 3.69Å; L733-F779 HydrophobicContact CD2-CE1 3.85Å; V775-F779 HydrophobicContact CB-CD2 4.37Å; V775-F779 HydrophobicContact CG1-CD2 3.86Å; V775-F779 HydrophobicContact CG1-CE2 4.35Å; V775-F779 HydrophobicContact CG2-CD2 4.29Å; V775-F779 HydrophobicContact CG2-CE2 3.99Å; V775-F779 WeakPolarHBondContact O-CB 3.36Å; V775-F779 PolarHBondContact O-N 2.98Å; F779-F781 HydrophobicContact CB-CE1 4.41Å; F779-F781 HydrophobicContact CB-CZ 4.21Å; F779-F781 WeakPolarHBondContact O-CD2 3.24Å; F779-F781 PolarHBondContact O-N 3.33Å; F779-I784 HydrophobicContact CB-CD1 3.51Å; F779-I784 HydrophobicContact CD1-CD1 4.18Å; F779-I784 HydrophobicContact CG-CD1 3.91Å; F779-V787 HydrophobicContact CD2-CG1 3.95Å; F779-V787 HydrophobicContact CD2-CG2 4.32Å; F779-V787 HydrophobicContact CE2-CG1 3.61Å | ||
| 780 | D | 77.9 | Confident | 85 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 43% | 0.428 | 23% | 0.229 | S | C | . | . | trans | -77.4 | 106 | 165.1 | -175.6 | 3.5 | 0 | 0 | 0 | 109.9 | N782 V783 I784 | D780-N782 PolarHBondContact O-N 3Å; D780-N782 WeakPolarHBondContact OD1-CB 3.37Å; D780-N782 PolarHBondContact OD1-N 2.82Å; D780-N782 PolarHBondContact OD1-ND2 2.81Å; D780-V783 HydrophobicContact CB-CG2 4.48Å; D780-V783 PolarHBondContact O-N 3.11Å; D780-I784 WeakPolarHBondContact O-CD1 3.36Å; D780-I784 WeakPolarHBondContact O-CG1 3.39Å; D780-I784 PolarHBondContact O-N 2.88Å | ||
| 781 | F | 80.7 | Confident | 85 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -8.6 | 178.2 | -59.3 | -78.3 | 0 | 0 | 0 | 114 | V775 F779 V787 A814 L815 N818 K821 F822 | V775-F781 HydrophobicContact CG1-CZ 3.94Å; F779-F781 HydrophobicContact CB-CE1 4.41Å; F779-F781 HydrophobicContact CB-CZ 4.21Å; F779-F781 WeakPolarHBondContact O-CD2 3.24Å; F779-F781 PolarHBondContact O-N 3.33Å; F781-V787 HydrophobicContact CE1-CG2 4.24Å; F781-A814 HydrophobicContact CD2-CB 4.27Å; F781-L815 HydrophobicContact CE1-CD2 4.38Å; F781-L815 HydrophobicContact CE2-CD2 4.14Å; F781-L815 HydrophobicContact CZ-CD2 3.62Å; F781-N818 HydrophobicContact CB-CB 4.17Å; F781-N818 HydrophobicContact CD1-CB 4.01Å; F781-N818 HydrophobicContact CG-CB 4.25Å; F781-K821 PolarHBondContact O-NZ 3.45Å; F781-F822 AromaticContact CE1-CE2 3.87Å; F781-F822 HydrophobicContact CE1-CE2 3.87Å; F781-F822 AromaticContact CE1-CZ 3.64Å; F781-F822 HydrophobicContact CE1-CZ 3.64Å; F781-F822 HydrophobicContact CZ-CZ 4.08Å |
| 782 | N | 76.5 | Confident | 84.8 | Confident | 143 Ų | 143 | 46.1 Ų | 46.1 | 77% | 0.765 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -39 | 171.1 | -59.1 | -74.6 | 0 | 0 | 0 | 111.6 | D780 | D780-N782 PolarHBondContact O-N 3Å; D780-N782 WeakPolarHBondContact OD1-CB 3.37Å; D780-N782 PolarHBondContact OD1-N 2.82Å; D780-N782 PolarHBondContact OD1-ND2 2.81Å |
| 783 | V | 71.6 | Confident | 84.5 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -47.8 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | D780 K785 | D780-V783 HydrophobicContact CB-CG2 4.48Å; D780-V783 PolarHBondContact O-N 3.11Å; V783-K785 PolarHBondContact O-N 3.49Å |
| 784 | I | 75.4 | Confident | 84.4 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | -68.2 | 127 | -172.3 | -66.2 | 158.8 | 0 | 0 | 0 | 110.8 | A720 L733 F779 D780 C786 V787 K821 | A720-I784 HydrophobicContact CB-CD1 3.76Å; A720-I784 HydrophobicContact CB-CG1 4.23Å; A720-I784 HydrophobicContact CB-CG2 3.92Å; L733-I784 HydrophobicContact CD2-CD1 4.07Å; F779-I784 HydrophobicContact CB-CD1 3.51Å; F779-I784 HydrophobicContact CD1-CD1 4.18Å; F779-I784 HydrophobicContact CG-CD1 3.91Å; D780-I784 WeakPolarHBondContact O-CD1 3.36Å; D780-I784 WeakPolarHBondContact O-CG1 3.39Å; D780-I784 PolarHBondContact O-N 2.88Å; I784-C786 WeakPolarHBondContact CG2-O 3.22Å; I784-V787 HydrophobicContact CG2-CG2 3.84Å; I784-K821 WeakPolarHBondContact O-CD 3.5Å; I784-K821 PolarHBondContact O-NZ 3.11Å | ||
| 785 | K | 74.7 | Confident | 84.4 | Confident | 130 Ų | 130 | 48.3 Ų | 48.3 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -82.4 | -37.6 | 176 | -64.2 | -176.8 | -173.7 | 149.8 | 0 | 112.2 | D718 V783 | D718-K785 HydrophobicContact CB-CB 4.47Å; D718-K785 HydrophobicContact CB-CD 4.11Å; D718-K785 HydrophobicContact CB-CG 4.35Å; D718-K785 VanDerWaalsContact CG-CD 3.47Å; D718-K785 VanDerWaalsContact CG-CE 3.5Å; D718-K785 PolarHBondContact O-N 2.8Å; D718-K785 VanDerWaalsContact OD1-CD 3.26Å; D718-K785 WeakPolarHBondContact OD1-CD 3.35Å; D718-K785 WeakPolarHBondContact OD1-CE 3.34Å; D718-K785 IonicContact OD1-NZ 3.58Å; D718-K785 PolarHBondContact OD1-NZ 2.63Å; D718-K785 IonicContact OD2-NZ 2.8Å; D718-K785 PolarHBondContact OD2-NZ 2.97Å; V783-K785 PolarHBondContact O-N 3.49Å |
| 786 | C | 80.6 | Confident | 84.5 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.054 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143.6 | -177.7 | -167.9 | 0 | 0 | 0 | 0 | 112 | D718 L719 A720 I784 | D718-C786 PolarHBondContact O-N 3.29Å; L719-C786 HydrophobicContact CD1-CB 3.94Å; L719-C786 WeakPolarHBondContact CD1-O 3.45Å; A720-C786 PolarHBondContact N-O 3.05Å; A720-C786 VanDerWaalsContact N-O 3.07Å; I784-C786 WeakPolarHBondContact CG2-O 3.22Å |
| 787 | V | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 109.5 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | A720 F779 F781 I784 K821 F822 L823 | A720-V787 HydrophobicContact CB-CG2 4.41Å; A720-V787 CarbonylContact O-C 3.53Å; A720-V787 WeakPolarHBondContact O-CA 3.4Å; F779-V787 HydrophobicContact CD2-CG1 3.95Å; F779-V787 HydrophobicContact CD2-CG2 4.32Å; F779-V787 HydrophobicContact CE2-CG1 3.61Å; F781-V787 HydrophobicContact CE1-CG2 4.24Å; I784-V787 HydrophobicContact CG2-CG2 3.84Å; V787-K821 PolarHBondContact N-O 3.41Å; V787-F822 HydrophobicContact CB-CD1 3.84Å; V787-F822 HydrophobicContact CB-CE1 3.99Å; V787-F822 HydrophobicContact CB-CG 4.25Å; V787-F822 HydrophobicContact CG1-CD1 3.7Å; V787-F822 HydrophobicContact CG1-CE1 3.58Å; V787-F822 HydrophobicContact CG1-CZ 4.38Å; V787-F822 HydrophobicContact CG2-CE1 4.43Å; V787-F822 CarbonylContact O-C 3.55Å; V787-F822 WeakPolarHBondContact O-CA 3.38Å; V787-L823 PolarHBondContact O-N 2.88Å |
| 788 | L | 89.5 | Confident | 85 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 138.5 | 175.8 | -50.3 | -176.4 | 0 | 0 | 0 | 110.2 | L719 A720 A721 V722 L823 V825 V838 L839 V844 | L719-L788 HydrophobicContact CD1-CD1 4.12Å; L719-L788 HydrophobicContact CD1-CD2 4.25Å; L719-L788 HydrophobicContact CD1-CG 3.82Å; L719-L788 HydrophobicContact CD2-CD1 4.25Å; A720-L788 PolarHBondContact O-N 2.6Å; A721-L788 CarbonylContact C-O 3.57Å; A721-L788 WeakPolarHBondContact CA-O 3.37Å; A721-L788 HydrophobicContact CB-CB 4.1Å; V722-L788 PolarHBondContact N-O 2.88Å; L788-L823 CarbonylContact C-O 3.57Å; L788-L823 HydrophobicContact CD2-CB 4.05Å; L788-L823 HydrophobicContact CD2-CD2 3.97Å; L788-L823 HydrophobicContact CD2-CG 4.4Å; L788-V825 HydrophobicContact CB-CG2 4.42Å; L788-V825 HydrophobicContact CD2-CG2 4.3Å; L788-V838 HydrophobicContact CB-CG1 4.49Å; L788-V838 HydrophobicContact CD1-CG1 3.74Å; L788-L839 HydrophobicContact CD1-CD2 4.26Å; L788-V844 HydrophobicContact CD1-CG1 3.71Å; L788-V844 HydrophobicContact CD1-CG2 4.39Å; L788-V844 HydrophobicContact CD2-CG1 4.09Å; L788-V844 HydrophobicContact CD2-CG2 4.09Å |
| 789 | V | 92.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 107.5 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 108 | V722 M724 R796 F799 F822 L823 L824 V825 | V722-V789 HydrophobicContact CB-CG2 4.44Å; V722-V789 WeakPolarHBondContact O-CA 3.49Å; M724-V789 HydrophobicContact SD-CG1 4.21Å; V789-R796 HydrophobicContact CG1-CB 3.94Å; V789-F799 HydrophobicContact CG1-CD1 4.01Å; V789-F799 HydrophobicContact CG1-CE1 4.49Å; V789-F822 HydrophobicContact CG2-CD1 4.02Å; V789-L823 PolarHBondContact N-O 3.15Å; V789-L824 HydrophobicContact CB-CD2 4.08Å; V789-L824 HydrophobicContact CG1-CD2 4.35Å; V789-L824 WeakPolarHBondContact O-CA 3.37Å; V789-V825 PolarHBondContact O-N 3.49Å |
| 790 | A | 92.7 | Very high | 85.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112 | V722 M724 V825 V838 | V722-A790 PolarHBondContact O-N 3.34Å; M724-A790 PolarHBondContact N-O 3.1Å; A790-V825 WeakPolarHBondContact CA-O 3.41Å; A790-V825 HydrophobicContact CB-CB 4.26Å; A790-V838 HydrophobicContact CB-CB 4.49Å; A790-V838 HydrophobicContact CB-CG1 4.19Å; A790-V838 HydrophobicContact CB-CG2 3.44Å; A790-V838 VanDerWaalsContact CB-CG2 3.44Å |
| 791 | S | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 156.1 | 174.7 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | M724 V795 R796 H826 S827 | M724-S791 WeakPolarHBondContact O-CA 3.38Å; M724-S791 WeakPolarHBondContact O-CB 3.38Å; S791-V795 PolarHBondContact OG-N 3.21Å; S791-R796 WeakPolarHBondContact OG-CB 3.37Å; S791-R796 WeakPolarHBondContact OG-CG 3.3Å; S791-R796 PolarHBondContact OG-N 2.93Å; S791-H826 PolarHBondContact O-ND1 3.05Å; S791-S827 CarbonylContact C-O 3.5Å; S791-S827 VanDerWaalsContact C-OG 3.28Å; S791-S827 VanDerWaalsContact CA-OG 3.26Å; S791-S827 WeakPolarHBondContact CA-OG 3.16Å; S791-S827 PolarHBondContact N-OG 2.69Å; S791-S827 PolarHBondContact O-N 3.12Å |
| 792 | P | 87.5 | Confident | 86.9 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -67.7 | 140.6 | 156.7 | 29.2 | -32.1 | 0 | 0 | 0 | 110.2 | M724 Q725 S827 | M724-P792 WeakPolarHBondContact O-CD 3.24Å; Q725-P792 HydrophobicContact CB-CG 3.95Å; P792-S827 WeakPolarHBondContact CA-O 3.5Å; P792-S827 WeakPolarHBondContact CB-O 3.3Å |
| 793 | G | 85.3 | Confident | 87.7 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -143.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 794 | F | 87.8 | Confident | 88.7 | Confident | 155 Ų | 155 | 38.5 Ų | 38.5 | 68% | 0.68 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 20.2 | -168.1 | -55.8 | -76.9 | 0 | 0 | 0 | 114.5 | E797 Q798 | F794-E797 VanDerWaalsContact CA-OE2 3.27Å; F794-E797 WeakPolarHBondContact CA-OE2 3.38Å; F794-Q798 WeakPolarHBondContact O-CG 3.46Å; F794-Q798 PolarHBondContact O-N 3Å; F794-Q798 PolarHBondContact O-NE2 2.97Å |
| 795 | V | 88.7 | Confident | 89.4 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.6 | -41.5 | -173 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | M724 Y768 S791 E797 Q798 F799 | M724-V795 HydrophobicContact CE-CG1 3.87Å; M724-V795 HydrophobicContact CG-CG1 4.3Å; M724-V795 HydrophobicContact SD-CG1 4.33Å; Y768-V795 HydrophobicContact CE1-CG1 4.25Å; S791-V795 PolarHBondContact OG-N 3.21Å; V795-E797 PolarHBondContact O-N 3.4Å; V795-Q798 PolarHBondContact O-N 2.84Å; V795-F799 WeakPolarHBondContact O-CB 3.26Å; V795-F799 PolarHBondContact O-N 2.98Å |
| 796 | R | 91.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 40 Ų | 40 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -42.8 | 175.5 | 68.5 | -171.4 | -176.2 | -130 | -17.3 | 112.9 | V789 S791 C800 L824 V825 H826 | V789-R796 HydrophobicContact CG1-CB 3.94Å; S791-R796 WeakPolarHBondContact OG-CB 3.37Å; S791-R796 WeakPolarHBondContact OG-CG 3.3Å; S791-R796 PolarHBondContact OG-N 2.93Å; R796-C800 WeakPolarHBondContact O-CB 3.43Å; R796-C800 PolarHBondContact O-N 3.39Å; R796-L824 HydrophobicContact CB-CD2 3.95Å; R796-L824 HydrophobicContact CG-CD2 4.13Å; R796-V825 WeakPolarHBondContact CD-O 3.33Å; R796-V825 VanDerWaalsContact NH1-C 3.34Å; R796-V825 PolarHBondContact NH1-O 3.16Å; R796-H826 PolarHBondContact NH1-ND1 3.47Å |
| 797 | E | 91.9 | Very high | 90.4 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 178.8 | -70.2 | 80.4 | -177.7 | 0 | 0 | 111 | F794 V795 K801 L824 | F794-E797 VanDerWaalsContact CA-OE2 3.27Å; F794-E797 WeakPolarHBondContact CA-OE2 3.38Å; V795-E797 PolarHBondContact O-N 3.4Å; E797-K801 WeakPolarHBondContact O-CB 3.24Å; E797-K801 PolarHBondContact O-N 2.87Å; E797-L824 HydrophobicContact CG-CD1 4.35Å |
| 798 | Q | 91.4 | Very high | 90.5 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 49% | 0.486 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.4 | -46.8 | 178.7 | -72.8 | 173.2 | 77.7 | 0 | 0 | 111.5 | Y768 F794 V795 Y802 | Y768-Q798 HydrophobicContact CE2-CB 4.17Å; Y768-Q798 VanDerWaalsContact OH-CB 3.26Å; Y768-Q798 WeakPolarHBondContact OH-CB 3.39Å; F794-Q798 WeakPolarHBondContact O-CG 3.46Å; F794-Q798 PolarHBondContact O-N 3Å; F794-Q798 PolarHBondContact O-NE2 2.97Å; V795-Q798 PolarHBondContact O-N 2.84Å; Q798-Y802 VanDerWaalsContact O-CB 3.3Å; Q798-Y802 WeakPolarHBondContact O-CB 3.48Å; Q798-Y802 PolarHBondContact O-N 3.08Å |
| 799 | F | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 175.7 | 171.1 | -113.3 | 0 | 0 | 0 | 112.1 | M724 Y768 V771 M772 V789 V795 K801 Y802 M803 | M724-F799 HydrophobicContact CE-CB 3.77Å; M724-F799 HydrophobicContact CE-CD1 4.19Å; M724-F799 HydrophobicContact CE-CD2 4.35Å; M724-F799 HydrophobicContact CE-CG 3.82Å; M724-F799 HydrophobicContact SD-CB 3.84Å; M724-F799 HydrophobicContact SD-CD1 3.71Å; M724-F799 HydrophobicContact SD-CG 3.88Å; Y768-F799 HydrophobicContact CD1-CB 4.03Å; Y768-F799 AromaticContact CD1-CD2 3.79Å; Y768-F799 HydrophobicContact CD1-CD2 3.79Å; Y768-F799 HydrophobicContact CD1-CG 4.31Å; Y768-F799 HydrophobicContact CE1-CB 3.87Å; Y768-F799 HydrophobicContact CE1-CD2 4.48Å; Y768-F799 HydrophobicContact CE2-CB 4.45Å; Y768-F799 HydrophobicContact CG-CB 4.42Å; Y768-F799 AromaticContact CG-CD2 3.81Å; Y768-F799 HydrophobicContact CG-CD2 3.81Å; V771-F799 HydrophobicContact CB-CD2 4.47Å; V771-F799 HydrophobicContact CB-CE2 3.79Å; V771-F799 HydrophobicContact CB-CZ 3.93Å; V771-F799 HydrophobicContact CG1-CE1 3.83Å; V771-F799 HydrophobicContact CG1-CE2 3.79Å; V771-F799 HydrophobicContact CG1-CZ 3.42Å; V771-F799 VanDerWaalsContact CG1-CZ 3.42Å; M772-F799 HydrophobicContact CB-CE2 4.48Å; V789-F799 HydrophobicContact CG1-CD1 4.01Å; V789-F799 HydrophobicContact CG1-CE1 4.49Å; V795-F799 WeakPolarHBondContact O-CB 3.26Å; V795-F799 PolarHBondContact O-N 2.98Å; F799-K801 VanDerWaalsContact C-N 3.33Å; F799-K801 PolarHBondContact O-N 3.46Å; F799-Y802 PolarHBondContact O-N 2.9Å; F799-M803 HydrophobicContact CE1-SD 4.1Å; F799-M803 HydrophobicContact CE2-CB 4.29Å; F799-M803 HydrophobicContact CZ-CB 4.28Å; F799-M803 HydrophobicContact CZ-CG 4.46Å; F799-M803 HydrophobicContact CZ-SD 3.9Å; F799-M803 VanDerWaalsContact O-CB 3.29Å; F799-M803 WeakPolarHBondContact O-CB 3.39Å; F799-M803 PolarHBondContact O-N 3.09Å |
| 800 | C | 90.8 | Very high | 89.9 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | -179.7 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | R796 F804 L824 | R796-C800 WeakPolarHBondContact O-CB 3.43Å; R796-C800 PolarHBondContact O-N 3.39Å; C800-F804 WeakPolarHBondContact O-CD2 3.44Å; C800-F804 PolarHBondContact O-N 3.11Å; C800-F804 WeakPolarHBondContact SG-CE2 3.36Å; C800-L824 HydrophobicContact CB-CD2 3.71Å |
| 801 | K | 91.2 | Very high | 89.4 | Confident | 129 Ų | 129 | 54 Ų | 54 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.7 | -51.9 | 170.9 | -178.1 | -177.1 | 172 | -172.1 | 0 | 111.3 | E797 F799 M803 F804 E805 | E797-K801 WeakPolarHBondContact O-CB 3.24Å; E797-K801 PolarHBondContact O-N 2.87Å; F799-K801 VanDerWaalsContact C-N 3.33Å; F799-K801 PolarHBondContact O-N 3.46Å; K801-M803 PolarHBondContact O-N 2.93Å; K801-F804 PolarHBondContact O-N 3.17Å; K801-E805 WeakPolarHBondContact CE-OE1 3.41Å; K801-E805 VanDerWaalsContact CE-OE2 3.24Å; K801-E805 WeakPolarHBondContact CE-OE2 3.37Å; K801-E805 HydrophobicContact CG-CG 4.36Å; K801-E805 IonicContact NZ-OE1 2.73Å; K801-E805 WeakPolarHBondContact O-CB 3.47Å; K801-E805 WeakPolarHBondContact O-CG 3.41Å; K801-E805 PolarHBondContact O-N 3.48Å |
| 802 | Y | 92.4 | Very high | 89 | Confident | 55 Ų | 55 | 56 Ų | 56 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | -179.9 | 179.4 | -90 | 0 | 0 | 0 | 112.1 | T765 Y768 D769 Q798 F799 F804 E805 K806 | T765-Y802 HydrophobicContact CG2-CE2 4.16Å; T765-Y802 WeakPolarHBondContact CG2-OH 3.48Å; Y768-Y802 HydrophobicContact CD2-CD1 4.03Å; Y768-Y802 HydrophobicContact CD2-CD2 4.26Å; Y768-Y802 AromaticContact CD2-CG 3.76Å; Y768-Y802 HydrophobicContact CD2-CG 3.76Å; Y768-Y802 HydrophobicContact CG-CD1 4.28Å; Y768-Y802 HydrophobicContact CG-CG 4.46Å; D769-Y802 PolarHBondContact OD1-OH 3.04Å; Q798-Y802 VanDerWaalsContact O-CB 3.3Å; Q798-Y802 WeakPolarHBondContact O-CB 3.48Å; Q798-Y802 PolarHBondContact O-N 3.08Å; F799-Y802 PolarHBondContact O-N 2.9Å; Y802-F804 PolarHBondContact O-N 3.36Å; Y802-E805 PolarHBondContact O-N 3.16Å; Y802-K806 HydrophobicContact CE1-CB 4.4Å; Y802-K806 HydrophobicContact CE1-CD 3.96Å; Y802-K806 VanDerWaalsContact O-CB 3.28Å; Y802-K806 WeakPolarHBondContact O-CB 3.38Å; Y802-K806 PolarHBondContact O-N 3.47Å |
| 803 | M | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 179.2 | 179 | -177.7 | 72.7 | 0 | 0 | 112 | M772 F799 K801 A807 L815 F822 | M772-M803 HydrophobicContact CG-CG 4.13Å; M772-M803 HydrophobicContact SD-CG 4.38Å; F799-M803 HydrophobicContact CE1-SD 4.1Å; F799-M803 HydrophobicContact CE2-CB 4.29Å; F799-M803 HydrophobicContact CZ-CB 4.28Å; F799-M803 HydrophobicContact CZ-CG 4.46Å; F799-M803 HydrophobicContact CZ-SD 3.9Å; F799-M803 VanDerWaalsContact O-CB 3.29Å; F799-M803 WeakPolarHBondContact O-CB 3.39Å; F799-M803 PolarHBondContact O-N 3.09Å; K801-M803 PolarHBondContact O-N 2.93Å; M803-A807 WeakPolarHBondContact O-CB 3.34Å; M803-A807 PolarHBondContact O-N 2.8Å; M803-L815 HydrophobicContact CG-CD1 4.13Å; M803-L815 HydrophobicContact SD-CD2 4.17Å; M803-F822 HydrophobicContact CE-CD1 3.82Å; M803-F822 HydrophobicContact CE-CE1 3.5Å; M803-F822 HydrophobicContact CE-CE2 4.33Å; M803-F822 HydrophobicContact CE-CG 4.36Å; M803-F822 HydrophobicContact CE-CZ 3.77Å; M803-F822 HydrophobicContact SD-CE1 4.07Å; M803-F822 HydrophobicContact SD-CZ 4.28Å |
| 804 | F | 92.3 | Very high | 88.5 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.6 | -33.6 | 178.7 | -69.2 | -53.1 | 0 | 0 | 0 | 113.6 | C800 K801 Y802 K806 A808 L815 K819 F822 | C800-F804 WeakPolarHBondContact O-CD2 3.44Å; C800-F804 PolarHBondContact O-N 3.11Å; C800-F804 WeakPolarHBondContact SG-CE2 3.36Å; K801-F804 PolarHBondContact O-N 3.17Å; Y802-F804 PolarHBondContact O-N 3.36Å; F804-K806 VanDerWaalsContact C-N 3.34Å; F804-A808 WeakPolarHBondContact O-CB 2.94Å; F804-A808 PolarHBondContact O-N 2.78Å; F804-A808 VanDerWaalsContact O-N 3.1Å; F804-L815 WeakPolarHBondContact CE1-O 3.48Å; F804-K819 HydrophobicContact CD1-CD 4.02Å; F804-K819 HydrophobicContact CD1-CG 4.3Å; F804-K819 HydrophobicContact CD2-CD 4.11Å; F804-K819 HydrophobicContact CD2-CG 4.39Å; F804-K819 HydrophobicContact CE1-CB 3.84Å; F804-K819 HydrophobicContact CE1-CD 4.04Å; F804-K819 HydrophobicContact CE1-CG 3.81Å; F804-K819 HydrophobicContact CE2-CD 4.11Å; F804-K819 HydrophobicContact CE2-CG 3.87Å; F804-K819 HydrophobicContact CG-CD 4.08Å; F804-K819 HydrophobicContact CZ-CB 3.95Å; F804-K819 HydrophobicContact CZ-CD 4.09Å; F804-K819 HydrophobicContact CZ-CG 3.57Å; F804-F822 HydrophobicContact CE1-CD2 4.34Å; F804-F822 HydrophobicContact CE1-CE2 4.34Å; F804-F822 HydrophobicContact CZ-CB 4.36Å; F804-F822 AromaticContact CZ-CD2 3.69Å; F804-F822 HydrophobicContact CZ-CD2 3.69Å; F804-F822 HydrophobicContact CZ-CE2 4.09Å; F804-F822 HydrophobicContact CZ-CG 4.01Å |
| 805 | E | 90.6 | Very high | 88.4 | Confident | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | 172.8 | -73.7 | -179.9 | 161.5 | 0 | 0 | 111 | K801 Y802 A809 | K801-E805 WeakPolarHBondContact CE-OE1 3.41Å; K801-E805 VanDerWaalsContact CE-OE2 3.24Å; K801-E805 WeakPolarHBondContact CE-OE2 3.37Å; K801-E805 HydrophobicContact CG-CG 4.36Å; K801-E805 IonicContact NZ-OE1 2.73Å; K801-E805 WeakPolarHBondContact O-CB 3.47Å; K801-E805 WeakPolarHBondContact O-CG 3.41Å; K801-E805 PolarHBondContact O-N 3.48Å; Y802-E805 PolarHBondContact O-N 3.16Å; E805-A809 PolarHBondContact O-N 3.16Å |
| 806 | K | 88.6 | Confident | 88.2 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 21% | 0.213 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.5 | -42.8 | 175.2 | -174.9 | 160.8 | -177.2 | 172.7 | 0 | 112.9 | D769 M772 Y802 F804 A808 A809 D810 | D769-K806 WeakPolarHBondContact OD1-CD 3.24Å; D769-K806 WeakPolarHBondContact OD1-CE 3.22Å; D769-K806 IonicContact OD1-NZ 3.69Å; D769-K806 PolarHBondContact OD1-NZ 2.71Å; D769-K806 IonicContact OD2-NZ 3.87Å; D769-K806 PolarHBondContact OD2-NZ 2.74Å; M772-K806 HydrophobicContact CE-CD 3.7Å; M772-K806 HydrophobicContact CE-CG 3.95Å; M772-K806 HydrophobicContact SD-CB 4.25Å; M772-K806 HydrophobicContact SD-CD 4.27Å; M772-K806 HydrophobicContact SD-CG 4.17Å; Y802-K806 HydrophobicContact CE1-CB 4.4Å; Y802-K806 HydrophobicContact CE1-CD 3.96Å; Y802-K806 VanDerWaalsContact O-CB 3.28Å; Y802-K806 WeakPolarHBondContact O-CB 3.38Å; Y802-K806 PolarHBondContact O-N 3.47Å; F804-K806 VanDerWaalsContact C-N 3.34Å; K806-A808 PolarHBondContact O-N 2.95Å; K806-A809 WeakPolarHBondContact O-CA 3.46Å; K806-A809 PolarHBondContact O-N 3.03Å; K806-D810 WeakPolarHBondContact CE-OD2 3.45Å; K806-D810 VanDerWaalsContact CG-OD2 3.29Å; K806-D810 WeakPolarHBondContact CG-OD2 3.49Å; K806-D810 WeakPolarHBondContact O-CB 3.09Å; K806-D810 PolarHBondContact O-N 3.39Å |
| 807 | A | 88 | Confident | 88 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -33.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M803 G811 N812 L815 L816 | M803-A807 WeakPolarHBondContact O-CB 3.34Å; M803-A807 PolarHBondContact O-N 2.8Å; A807-G811 CarbonylContact O-C 3.6Å; A807-G811 PolarHBondContact O-N 3.3Å; A807-N812 HydrophobicContact CB-CB 4.33Å; A807-N812 PolarHBondContact O-N 3.37Å; A807-L815 HydrophobicContact CB-CB 3.89Å; A807-L815 HydrophobicContact CB-CD1 3.91Å; A807-L816 HydrophobicContact CB-CD2 4.12Å; A807-L816 HydrophobicContact CB-CG 4.18Å |
| 808 | A | 88.6 | Confident | 87.6 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 54% | 0.537 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71 | -29.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F804 K806 L816 | F804-A808 WeakPolarHBondContact O-CB 2.94Å; F804-A808 PolarHBondContact O-N 2.78Å; F804-A808 VanDerWaalsContact O-N 3.1Å; K806-A808 PolarHBondContact O-N 2.95Å; A808-L816 HydrophobicContact CB-CD2 4.2Å |
| 809 | A | 87.3 | Confident | 87.3 | Confident | 83 Ų | 83 | 60.1 Ų | 60.1 | 69% | 0.686 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -80 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E805 K806 G811 | E805-A809 PolarHBondContact O-N 3.16Å; K806-A809 WeakPolarHBondContact O-CA 3.46Å; K806-A809 PolarHBondContact O-N 3.03Å; A809-G811 VanDerWaalsContact C-N 3.29Å; A809-G811 PolarHBondContact O-N 2.83Å |
| 810 | D | 84 | Confident | 86.9 | Confident | 104 Ų | 104 | 65.6 Ų | 65.6 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -80.1 | -10 | -179.3 | -65.6 | -10.3 | 0 | 0 | 0 | 112.5 | K806 | K806-D810 WeakPolarHBondContact CE-OD2 3.45Å; K806-D810 VanDerWaalsContact CG-OD2 3.29Å; K806-D810 WeakPolarHBondContact CG-OD2 3.49Å; K806-D810 WeakPolarHBondContact O-CB 3.09Å; K806-D810 PolarHBondContact O-N 3.39Å |
| 811 | G | 82.5 | Confident | 86.7 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 53% | 0.526 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 18.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A807 A809 K813 | A807-G811 CarbonylContact O-C 3.6Å; A807-G811 PolarHBondContact O-N 3.3Å; A809-G811 VanDerWaalsContact C-N 3.29Å; A809-G811 PolarHBondContact O-N 2.83Å; G811-K813 PolarHBondContact O-N 3.48Å |
| 812 | N | 81.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | trans | -74.5 | 91.5 | -175.5 | -173.9 | -11.5 | 0 | 0 | 0 | 111.8 | A807 A814 L815 L816 | A807-N812 HydrophobicContact CB-CB 4.33Å; A807-N812 PolarHBondContact O-N 3.37Å; N812-A814 VanDerWaalsContact C-N 3.32Å; N812-A814 PolarHBondContact O-N 3.15Å; N812-A814 PolarHBondContact OD1-N 3.47Å; N812-L815 PolarHBondContact O-N 2.72Å; N812-L816 WeakPolarHBondContact O-CG 3.37Å; N812-L816 PolarHBondContact O-N 3.23Å | ||
| 813 | K | 82.4 | Confident | 86.4 | Confident | 144 Ų | 144 | 59.9 Ų | 59.9 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -53.8 | -40.8 | 178.8 | -70 | -172 | 173.6 | -166.1 | 0 | 114.3 | G811 L815 L816 E817 | G811-K813 PolarHBondContact O-N 3.48Å; K813-L815 VanDerWaalsContact C-N 3.29Å; K813-L815 PolarHBondContact O-N 2.91Å; K813-L816 PolarHBondContact O-N 3.36Å; K813-E817 WeakPolarHBondContact O-CB 3.35Å; K813-E817 WeakPolarHBondContact O-CG 3.39Å; K813-E817 PolarHBondContact O-N 2.7Å |
| 814 | A | 81.1 | Confident | 86.3 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -40.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F781 N812 N818 | F781-A814 HydrophobicContact CD2-CB 4.27Å; N812-A814 VanDerWaalsContact C-N 3.32Å; N812-A814 PolarHBondContact O-N 3.15Å; N812-A814 PolarHBondContact OD1-N 3.47Å; A814-N818 WeakPolarHBondContact O-CB 3.21Å; A814-N818 PolarHBondContact O-N 2.89Å; A814-N818 PolarHBondContact O-ND2 3.03Å |
| 815 | L | 84.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.3 | -39.8 | 173.8 | -72.1 | 173.6 | 0 | 0 | 0 | 112.5 | M772 V775 V776 F781 M803 F804 A807 N812 K813 K819 F822 | M772-L815 HydrophobicContact CG-CD1 4.16Å; M772-L815 HydrophobicContact SD-CD1 4.36Å; V775-L815 HydrophobicContact CG1-CD2 4.19Å; V776-L815 HydrophobicContact CG2-CD1 3.75Å; V776-L815 HydrophobicContact CG2-CD2 4.34Å; V776-L815 HydrophobicContact CG2-CG 4.06Å; F781-L815 HydrophobicContact CE1-CD2 4.38Å; F781-L815 HydrophobicContact CE2-CD2 4.14Å; F781-L815 HydrophobicContact CZ-CD2 3.62Å; M803-L815 HydrophobicContact CG-CD1 4.13Å; M803-L815 HydrophobicContact SD-CD2 4.17Å; F804-L815 WeakPolarHBondContact CE1-O 3.48Å; A807-L815 HydrophobicContact CB-CB 3.89Å; A807-L815 HydrophobicContact CB-CD1 3.91Å; N812-L815 PolarHBondContact O-N 2.72Å; K813-L815 VanDerWaalsContact C-N 3.29Å; K813-L815 PolarHBondContact O-N 2.91Å; L815-K819 PolarHBondContact O-N 3.37Å; L815-F822 HydrophobicContact CD2-CE2 4.35Å; L815-F822 HydrophobicContact CD2-CZ 3.85Å |
| 816 | L | 85.4 | Confident | 86.1 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.5 | -37.6 | -176.6 | -65.9 | 171.4 | 0 | 0 | 0 | 112.9 | A807 A808 N812 K813 | A807-L816 HydrophobicContact CB-CD2 4.12Å; A807-L816 HydrophobicContact CB-CG 4.18Å; A808-L816 HydrophobicContact CB-CD2 4.2Å; N812-L816 WeakPolarHBondContact O-CG 3.37Å; N812-L816 PolarHBondContact O-N 3.23Å; K813-L816 PolarHBondContact O-N 3.36Å |
| 817 | E | 86.2 | Confident | 86 | Confident | 132 Ų | 132 | 58.9 Ų | 58.9 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -78.5 | -27.4 | -177.6 | -69.1 | 170.8 | -175.2 | 0 | 0 | 112.2 | K813 | K813-E817 WeakPolarHBondContact O-CB 3.35Å; K813-E817 WeakPolarHBondContact O-CG 3.39Å; K813-E817 PolarHBondContact O-N 2.7Å |
| 818 | N | 85.1 | Confident | 85.9 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 16% | 0.16 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 22.4 | 179.2 | -68 | -86.4 | 0 | 0 | 0 | 113.9 | F781 A814 D820 K821 F822 | F781-N818 HydrophobicContact CB-CB 4.17Å; F781-N818 HydrophobicContact CD1-CB 4.01Å; F781-N818 HydrophobicContact CG-CB 4.25Å; A814-N818 WeakPolarHBondContact O-CB 3.21Å; A814-N818 PolarHBondContact O-N 2.89Å; A814-N818 PolarHBondContact O-ND2 3.03Å; N818-D820 PolarHBondContact O-N 2.82Å; N818-K821 HydrophobicContact CB-CD 4.15Å; N818-K821 HydrophobicContact CB-CG 4.33Å; N818-K821 WeakPolarHBondContact O-CB 3.33Å; N818-K821 PolarHBondContact O-N 3.43Å; N818-K821 VanDerWaalsContact O-N 3.15Å; N818-K821 WeakPolarHBondContact OD1-CE 3.34Å; N818-K821 PolarHBondContact OD1-NZ 3.27Å; N818-F822 WeakPolarHBondContact O-CD2 3.48Å |
| 819 | K | 84.9 | Confident | 85.8 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -61.2 | -27.8 | -173.7 | 173.6 | 161.2 | -174.4 | 171.2 | 0 | 114.3 | F804 L815 | F804-K819 HydrophobicContact CD1-CD 4.02Å; F804-K819 HydrophobicContact CD1-CG 4.3Å; F804-K819 HydrophobicContact CD2-CD 4.11Å; F804-K819 HydrophobicContact CD2-CG 4.39Å; F804-K819 HydrophobicContact CE1-CB 3.84Å; F804-K819 HydrophobicContact CE1-CD 4.04Å; F804-K819 HydrophobicContact CE1-CG 3.81Å; F804-K819 HydrophobicContact CE2-CD 4.11Å; F804-K819 HydrophobicContact CE2-CG 3.87Å; F804-K819 HydrophobicContact CG-CD 4.08Å; F804-K819 HydrophobicContact CZ-CB 3.95Å; F804-K819 HydrophobicContact CZ-CD 4.09Å; F804-K819 HydrophobicContact CZ-CG 3.57Å; L815-K819 PolarHBondContact O-N 3.37Å |
| 820 | D | 85 | Confident | 85.7 | Confident | 115 Ų | 115 | 57.6 Ų | 57.6 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -72.3 | -25.9 | 178 | 62.7 | -38.3 | 0 | 0 | 0 | 114.1 | N818 F822 R847 | N818-D820 PolarHBondContact O-N 2.82Å; D820-F822 PolarHBondContact O-N 2.9Å; D820-R847 PolarHBondContact O-NH1 3.43Å; D820-R847 VanDerWaalsContact O-NH1 3.07Å |
| 821 | K | 86.2 | Confident | 85.8 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -68.1 | -21.2 | 175.6 | -59.2 | -165.8 | 174.7 | -172 | 0 | 113.4 | F781 I784 V787 N818 | F781-K821 PolarHBondContact O-NZ 3.45Å; I784-K821 WeakPolarHBondContact O-CD 3.5Å; I784-K821 PolarHBondContact O-NZ 3.11Å; V787-K821 PolarHBondContact N-O 3.41Å; N818-K821 HydrophobicContact CB-CD 4.15Å; N818-K821 HydrophobicContact CB-CG 4.33Å; N818-K821 WeakPolarHBondContact O-CB 3.33Å; N818-K821 PolarHBondContact O-N 3.43Å; N818-K821 VanDerWaalsContact O-N 3.15Å; N818-K821 WeakPolarHBondContact OD1-CE 3.34Å; N818-K821 PolarHBondContact OD1-NZ 3.27Å |
| 822 | F | 89 | Confident | 85.7 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.3 | -179.3 | -71.2 | -96.2 | 0 | 0 | 0 | 111.9 | F781 V787 V789 M803 F804 L815 N818 D820 | F781-F822 AromaticContact CE1-CE2 3.87Å; F781-F822 HydrophobicContact CE1-CE2 3.87Å; F781-F822 AromaticContact CE1-CZ 3.64Å; F781-F822 HydrophobicContact CE1-CZ 3.64Å; F781-F822 HydrophobicContact CZ-CZ 4.08Å; V787-F822 HydrophobicContact CB-CD1 3.84Å; V787-F822 HydrophobicContact CB-CE1 3.99Å; V787-F822 HydrophobicContact CB-CG 4.25Å; V787-F822 HydrophobicContact CG1-CD1 3.7Å; V787-F822 HydrophobicContact CG1-CE1 3.58Å; V787-F822 HydrophobicContact CG1-CZ 4.38Å; V787-F822 HydrophobicContact CG2-CE1 4.43Å; V787-F822 CarbonylContact O-C 3.55Å; V787-F822 WeakPolarHBondContact O-CA 3.38Å; V789-F822 HydrophobicContact CG2-CD1 4.02Å; M803-F822 HydrophobicContact CE-CD1 3.82Å; M803-F822 HydrophobicContact CE-CE1 3.5Å; M803-F822 HydrophobicContact CE-CE2 4.33Å; M803-F822 HydrophobicContact CE-CG 4.36Å; M803-F822 HydrophobicContact CE-CZ 3.77Å; M803-F822 HydrophobicContact SD-CE1 4.07Å; M803-F822 HydrophobicContact SD-CZ 4.28Å; F804-F822 HydrophobicContact CE1-CD2 4.34Å; F804-F822 HydrophobicContact CE1-CE2 4.34Å; F804-F822 HydrophobicContact CZ-CB 4.36Å; F804-F822 AromaticContact CZ-CD2 3.69Å; F804-F822 HydrophobicContact CZ-CD2 3.69Å; F804-F822 HydrophobicContact CZ-CE2 4.09Å; F804-F822 HydrophobicContact CZ-CG 4.01Å; L815-F822 HydrophobicContact CD2-CE2 4.35Å; L815-F822 HydrophobicContact CD2-CZ 3.85Å; N818-F822 WeakPolarHBondContact O-CD2 3.48Å; D820-F822 PolarHBondContact O-N 2.9Å |
| 823 | L | 88.2 | Confident | 85.7 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.2 | 175.6 | -178.4 | 61.8 | 0 | 0 | 0 | 110.2 | V787 L788 V789 V825 V844 R847 | V787-L823 PolarHBondContact O-N 2.88Å; L788-L823 CarbonylContact C-O 3.57Å; L788-L823 HydrophobicContact CD2-CB 4.05Å; L788-L823 HydrophobicContact CD2-CD2 3.97Å; L788-L823 HydrophobicContact CD2-CG 4.4Å; V789-L823 PolarHBondContact N-O 3.15Å; L823-V825 HydrophobicContact CD2-CG2 4.43Å; L823-V825 HydrophobicContact CG-CG2 4.12Å; L823-V844 HydrophobicContact CD2-CG2 3.86Å; L823-R847 HydrophobicContact CD2-CG 4.48Å |
| 824 | L | 90.7 | Very high | 85.7 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.1 | 178.2 | -64.1 | 173.8 | 0 | 0 | 0 | 109.6 | V789 R796 E797 C800 | V789-L824 HydrophobicContact CB-CD2 4.08Å; V789-L824 HydrophobicContact CG1-CD2 4.35Å; V789-L824 WeakPolarHBondContact O-CA 3.37Å; R796-L824 HydrophobicContact CB-CD2 3.95Å; R796-L824 HydrophobicContact CG-CD2 4.13Å; E797-L824 HydrophobicContact CG-CD1 4.35Å; C800-L824 HydrophobicContact CB-CD2 3.71Å |
| 825 | V | 89.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155.6 | -172.1 | -160.9 | 0 | 0 | 0 | 0 | 110.5 | L788 V789 A790 R796 L823 V838 D841 V844 | L788-V825 HydrophobicContact CB-CG2 4.42Å; L788-V825 HydrophobicContact CD2-CG2 4.3Å; V789-V825 PolarHBondContact O-N 3.49Å; A790-V825 WeakPolarHBondContact CA-O 3.41Å; A790-V825 HydrophobicContact CB-CB 4.26Å; R796-V825 WeakPolarHBondContact CD-O 3.33Å; R796-V825 VanDerWaalsContact NH1-C 3.34Å; R796-V825 PolarHBondContact NH1-O 3.16Å; L823-V825 HydrophobicContact CD2-CG2 4.43Å; L823-V825 HydrophobicContact CG-CG2 4.12Å; V825-V838 HydrophobicContact CB-CG1 4.25Å; V825-V838 HydrophobicContact CG1-CB 4.48Å; V825-V838 HydrophobicContact CG1-CG1 4.08Å; V825-V838 HydrophobicContact CG1-CG2 4.44Å; V825-V838 HydrophobicContact CG2-CG1 4.37Å; V825-D841 HydrophobicContact CG1-CB 3.93Å; V825-D841 WeakPolarHBondContact CG1-OD2 3.42Å; V825-V844 HydrophobicContact CB-CG2 4.26Å; V825-V844 HydrophobicContact CG1-CG2 3.68Å; V825-V844 HydrophobicContact CG2-CG2 3.46Å; V825-V844 VanDerWaalsContact CG2-CG2 3.46Å |
| 826 | H | 88.7 | Confident | 85.1 | Confident | 95 Ų | 95 | 58.3 Ų | 58.3 | 44% | 0.44 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 149.8 | 168.5 | -160.3 | 30.7 | 0 | 0 | 0 | 112 | S791 R796 V838 | S791-H826 PolarHBondContact O-ND1 3.05Å; R796-H826 PolarHBondContact NH1-ND1 3.47Å; H826-V838 WeakPolarHBondContact O-CG2 3.27Å |
| 827 | S | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -142.9 | 144.8 | 164.4 | 61.4 | 0 | 0 | 0 | 0 | 108.9 | S791 P792 S829 E837 | S791-S827 CarbonylContact C-O 3.5Å; S791-S827 VanDerWaalsContact C-OG 3.28Å; S791-S827 VanDerWaalsContact CA-OG 3.26Å; S791-S827 WeakPolarHBondContact CA-OG 3.16Å; S791-S827 PolarHBondContact N-OG 2.69Å; S791-S827 PolarHBondContact O-N 3.12Å; P792-S827 WeakPolarHBondContact CA-O 3.5Å; P792-S827 WeakPolarHBondContact CB-O 3.3Å; S827-S829 WeakPolarHBondContact CB-O 3.47Å; S827-S829 PolarHBondContact O-N 3.27Å; S827-S829 PolarHBondContact OG-O 3.1Å; S827-E837 VanDerWaalsContact CA-OE1 3.24Å; S827-E837 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 828 | T | 86.3 | Confident | 84.8 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -60.8 | -23.7 | 166.6 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | E837 | T828-E837 WeakPolarHBondContact CB-OE2 3.49Å; T828-E837 WeakPolarHBondContact CG2-OE2 3.42Å; T828-E837 VanDerWaalsContact N-CD 3.27Å; T828-E837 PolarHBondContact N-OE1 2.93Å; T828-E837 PolarHBondContact N-OE2 3.4Å; T828-E837 PolarHBondContact OG1-OE2 2.81Å |
| 829 | S | 86.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | trans | -151.3 | 163.4 | -170.4 | -152.5 | 0 | 0 | 0 | 0 | 115.3 | V723 S827 F831 | V723-S829 WeakPolarHBondContact CG1-O 3.49Å; S827-S829 WeakPolarHBondContact CB-O 3.47Å; S827-S829 PolarHBondContact O-N 3.27Å; S827-S829 PolarHBondContact OG-O 3.1Å; S829-F831 WeakPolarHBondContact OG-CD2 3.33Å | ||
| 830 | G | 83.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -91.6 | 6.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H730 | H730-G830 PolarHBondContact ND1-O 2.92Š|
| 831 | F | 86.8 | Confident | 83.4 | Confident | 87 Ų | 87 | 44.4 Ų | 44.4 | 38% | 0.382 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -98 | 158.7 | -177.6 | -66.8 | -79.3 | 0 | 0 | 0 | 113.4 | L728 H730 S829 H833 A834 | L728-F831 HydrophobicContact CD2-CD1 3.76Å; L728-F831 HydrophobicContact CD2-CE1 3.37Å; L728-F831 HydrophobicContact CD2-CE2 4.22Å; L728-F831 HydrophobicContact CD2-CG 4.33Å; L728-F831 HydrophobicContact CD2-CZ 3.62Å; H730-F831 AromaticContact CE1-CD1 3.84Å; S829-F831 WeakPolarHBondContact OG-CD2 3.33Å; F831-H833 PolarHBondContact O-N 2.91Å; F831-A834 PolarHBondContact O-N 2.9Å |
| 832 | K | 80.9 | Confident | 82.9 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -48.3 | -35.5 | -180 | -174.4 | -177.8 | -178.1 | 178.4 | 0 | 114.2 | T739 V741 A834 L835 | T739-K832 PolarHBondContact O-NZ 2.86Å; V741-K832 HydrophobicContact CG2-CD 3.98Å; K832-A834 PolarHBondContact O-N 3.42Å; K832-L835 HydrophobicContact CG-CD1 4.28Å; K832-L835 WeakPolarHBondContact O-CB 3.43Å; K832-L835 PolarHBondContact O-N 3.26Å; K832-L835 VanDerWaalsContact O-N 3.1Å |
| 833 | H | 80.7 | Confident | 82.2 | Confident | 121 Ų | 121 | 52.2 Ų | 52.2 | 56% | 0.56 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -61.8 | -29.3 | -178.6 | 59.4 | -114.6 | 0 | 0 | 0 | 113.4 | F831 L835 K836 | F831-H833 PolarHBondContact O-N 2.91Å; H833-L835 PolarHBondContact O-N 3.46Å; H833-L835 VanDerWaalsContact O-N 3.14Å; H833-K836 PolarHBondContact O-N 3.15Å; H833-K836 VanDerWaalsContact O-N 3.1Å |
| 834 | A | 83.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -70.7 | -6.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V723 F831 K832 K836 E837 V838 | V723-A834 HydrophobicContact CG1-CB 4.31Å; F831-A834 PolarHBondContact O-N 2.9Å; K832-A834 PolarHBondContact O-N 3.42Å; A834-K836 PolarHBondContact O-N 3Å; A834-E837 PolarHBondContact O-N 3.35Å; A834-V838 WeakPolarHBondContact O-CB 3.4Å; A834-V838 VanDerWaalsContact O-CG2 3.24Å; A834-V838 WeakPolarHBondContact O-CG2 3.4Å; A834-V838 PolarHBondContact O-N 3.13Å |
| 835 | L | 79.9 | Confident | 80.4 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -28.1 | 166 | -74.2 | 172.8 | 0 | 0 | 0 | 112.7 | A721 V723 C732 I734 T739 K832 H833 V838 L839 | A721-L835 HydrophobicContact CB-CD2 3.71Å; V723-L835 HydrophobicContact CG2-CD2 3.44Å; V723-L835 VanDerWaalsContact CG2-CD2 3.44Å; V723-L835 HydrophobicContact CG2-CG 3.81Å; C732-L835 HydrophobicContact CB-CD1 4.38Å; I734-L835 HydrophobicContact CD1-CD1 4.49Å; I734-L835 HydrophobicContact CD1-CD2 4.17Å; T739-L835 HydrophobicContact CG2-CD1 3.57Å; K832-L835 HydrophobicContact CG-CD1 4.28Å; K832-L835 WeakPolarHBondContact O-CB 3.43Å; K832-L835 PolarHBondContact O-N 3.26Å; K832-L835 VanDerWaalsContact O-N 3.1Å; H833-L835 PolarHBondContact O-N 3.46Å; H833-L835 VanDerWaalsContact O-N 3.14Å; L835-V838 PolarHBondContact O-N 2.97Å; L835-L839 WeakPolarHBondContact O-CB 3.48Å; L835-L839 WeakPolarHBondContact O-CD1 3.09Å; L835-L839 WeakPolarHBondContact O-CG 3.33Å; L835-L839 PolarHBondContact O-N 3.46Å |
| 836 | K | 73.2 | Confident | 79.5 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 176.7 | -58.7 | -162.8 | -175 | -163.3 | 0 | 111.1 | H833 A834 A840 G933 E936 | H833-K836 PolarHBondContact O-N 3.15Å; H833-K836 VanDerWaalsContact O-N 3.1Å; A834-K836 PolarHBondContact O-N 3Å; K836-A840 WeakPolarHBondContact O-CB 3.35Å; K836-A840 PolarHBondContact O-N 2.83Å; K836-G933 PolarHBondContact NZ-O 3.35Å; K836-E936 IonicContact NZ-OE2 2.97Å; K836-E936 PolarHBondContact NZ-OE2 3.43Å |
| 837 | E | 81.6 | Confident | 78.4 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 172.5 | -178.4 | -165.7 | 161.5 | 0 | 0 | 111.8 | S827 T828 A834 L839 A840 D841 | S827-E837 VanDerWaalsContact CA-OE1 3.24Å; S827-E837 WeakPolarHBondContact CA-OE1 3.34Å; T828-E837 WeakPolarHBondContact CB-OE2 3.49Å; T828-E837 WeakPolarHBondContact CG2-OE2 3.42Å; T828-E837 VanDerWaalsContact N-CD 3.27Å; T828-E837 PolarHBondContact N-OE1 2.93Å; T828-E837 PolarHBondContact N-OE2 3.4Å; T828-E837 PolarHBondContact OG1-OE2 2.81Å; A834-E837 PolarHBondContact O-N 3.35Å; E837-L839 VanDerWaalsContact C-N 3.32Å; E837-L839 PolarHBondContact O-N 3.3Å; E837-A840 PolarHBondContact O-N 3.08Å; E837-A840 VanDerWaalsContact O-N 3.14Å; E837-D841 PolarHBondContact O-N 3.48Å; E837-D841 VanDerWaalsContact O-N 3.17Å |
| 838 | V | 82.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -34 | -177.5 | 166.3 | 0 | 0 | 0 | 0 | 112.8 | L788 A790 V825 H826 A834 L835 V844 | L788-V838 HydrophobicContact CB-CG1 4.49Å; L788-V838 HydrophobicContact CD1-CG1 3.74Å; A790-V838 HydrophobicContact CB-CB 4.49Å; A790-V838 HydrophobicContact CB-CG1 4.19Å; A790-V838 HydrophobicContact CB-CG2 3.44Å; A790-V838 VanDerWaalsContact CB-CG2 3.44Å; V825-V838 HydrophobicContact CB-CG1 4.25Å; V825-V838 HydrophobicContact CG1-CB 4.48Å; V825-V838 HydrophobicContact CG1-CG1 4.08Å; V825-V838 HydrophobicContact CG1-CG2 4.44Å; V825-V838 HydrophobicContact CG2-CG1 4.37Å; H826-V838 WeakPolarHBondContact O-CG2 3.27Å; A834-V838 WeakPolarHBondContact O-CB 3.4Å; A834-V838 VanDerWaalsContact O-CG2 3.24Å; A834-V838 WeakPolarHBondContact O-CG2 3.4Å; A834-V838 PolarHBondContact O-N 3.13Å; L835-V838 PolarHBondContact O-N 2.97Å; V838-V844 WeakPolarHBondContact O-CB 3.27Å; V838-V844 WeakPolarHBondContact O-CG1 3.09Å; V838-V844 VanDerWaalsContact O-CG2 3.28Å; V838-V844 WeakPolarHBondContact O-CG2 3.42Å |
| 839 | L | 77.6 | Confident | 76 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.2 | -27.7 | 176.7 | -68.5 | 170 | 0 | 0 | 0 | 112.6 | L719 I734 L788 L835 E837 D841 V844 S845 L848 I857 | L719-L839 HydrophobicContact CD2-CD2 3.73Å; I734-L839 HydrophobicContact CD1-CD2 4.41Å; L788-L839 HydrophobicContact CD1-CD2 4.26Å; L835-L839 WeakPolarHBondContact O-CB 3.48Å; L835-L839 WeakPolarHBondContact O-CD1 3.09Å; L835-L839 WeakPolarHBondContact O-CG 3.33Å; L835-L839 PolarHBondContact O-N 3.46Å; E837-L839 VanDerWaalsContact C-N 3.32Å; E837-L839 PolarHBondContact O-N 3.3Å; L839-D841 VanDerWaalsContact C-N 3.35Å; L839-V844 HydrophobicContact CD2-CG1 4.31Å; L839-S845 PolarHBondContact O-OG 3.44Å; L839-S845 VanDerWaalsContact O-OG 3.12Å; L839-L848 HydrophobicContact CD2-CD1 3.6Å; L839-I857 HydrophobicContact CB-CD1 4.48Å; L839-I857 HydrophobicContact CD1-CD1 4.46Å |
| 840 | A | 73.3 | Confident | 74.7 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -77.2 | -15.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K836 E837 P842 | K836-A840 WeakPolarHBondContact O-CB 3.35Å; K836-A840 PolarHBondContact O-N 2.83Å; E837-A840 PolarHBondContact O-N 3.08Å; E837-A840 VanDerWaalsContact O-N 3.14Å; A840-P842 WeakPolarHBondContact O-CD 3.22Å |
| 841 | D | 75.5 | Confident | 73.7 | Confident | 38 Ų | 38 | 63 Ų | 63 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -56.5 | 122.7 | 173.8 | -174.2 | -40.1 | 0 | 0 | 0 | 110.2 | V825 E837 L839 Q843 V844 S845 | V825-D841 HydrophobicContact CG1-CB 3.93Å; V825-D841 WeakPolarHBondContact CG1-OD2 3.42Å; E837-D841 PolarHBondContact O-N 3.48Å; E837-D841 VanDerWaalsContact O-N 3.17Å; L839-D841 VanDerWaalsContact C-N 3.35Å; D841-Q843 PolarHBondContact O-N 3.15Å; D841-Q843 VanDerWaalsContact O-N 3.1Å; D841-Q843 VanDerWaalsContact OD1-CB 3.3Å; D841-Q843 WeakPolarHBondContact OD1-CB 3.42Å; D841-Q843 WeakPolarHBondContact OD1-CG 3.44Å; D841-Q843 PolarHBondContact OD1-N 2.75Å; D841-V844 HydrophobicContact CB-CB 4.3Å; D841-V844 HydrophobicContact CB-CG2 4.11Å; D841-V844 WeakPolarHBondContact O-CA 3.34Å; D841-V844 WeakPolarHBondContact O-CB 3.47Å; D841-V844 PolarHBondContact O-N 2.9Å; D841-S845 PolarHBondContact O-N 2.92Å |
| 842 | P | 74.6 | Confident | 72.7 | Confident | 102 Ų | 102 | 62 Ų | 62 | 66% | 0.662 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -54.8 | -29.8 | 179.6 | -29 | 36.4 | 0 | 0 | 0 | 114.4 | A840 S846 | A840-P842 WeakPolarHBondContact O-CD 3.22Å; P842-S846 VanDerWaalsContact O-CB 3.3Å; P842-S846 WeakPolarHBondContact O-CB 3.29Å; P842-S846 PolarHBondContact O-N 3.45Å |
| 843 | Q | 74.1 | Confident | 71.9 | Confident | 120 Ų | 120 | 58 Ų | 58 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.7 | -39.4 | 175.5 | -58.4 | -171.2 | 37.2 | 0 | 0 | 111.5 | D841 S846 | D841-Q843 PolarHBondContact O-N 3.15Å; D841-Q843 VanDerWaalsContact O-N 3.1Å; D841-Q843 VanDerWaalsContact OD1-CB 3.3Å; D841-Q843 WeakPolarHBondContact OD1-CB 3.42Å; D841-Q843 WeakPolarHBondContact OD1-CG 3.44Å; D841-Q843 PolarHBondContact OD1-N 2.75Å; Q843-S846 PolarHBondContact O-OG 2.85Å |
| 844 | V | 75.5 | Confident | 71.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -50.7 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | L788 L823 V825 V838 L839 D841 S846 R847 L848 | L788-V844 HydrophobicContact CD1-CG1 3.71Å; L788-V844 HydrophobicContact CD1-CG2 4.39Å; L788-V844 HydrophobicContact CD2-CG1 4.09Å; L788-V844 HydrophobicContact CD2-CG2 4.09Å; L823-V844 HydrophobicContact CD2-CG2 3.86Å; V825-V844 HydrophobicContact CB-CG2 4.26Å; V825-V844 HydrophobicContact CG1-CG2 3.68Å; V825-V844 HydrophobicContact CG2-CG2 3.46Å; V825-V844 VanDerWaalsContact CG2-CG2 3.46Å; V838-V844 WeakPolarHBondContact O-CB 3.27Å; V838-V844 WeakPolarHBondContact O-CG1 3.09Å; V838-V844 VanDerWaalsContact O-CG2 3.28Å; V838-V844 WeakPolarHBondContact O-CG2 3.42Å; L839-V844 HydrophobicContact CD2-CG1 4.31Å; D841-V844 HydrophobicContact CB-CB 4.3Å; D841-V844 HydrophobicContact CB-CG2 4.11Å; D841-V844 WeakPolarHBondContact O-CA 3.34Å; D841-V844 WeakPolarHBondContact O-CB 3.47Å; D841-V844 PolarHBondContact O-N 2.9Å; V844-S846 PolarHBondContact O-N 3.5Å; V844-S846 VanDerWaalsContact O-N 3.14Å; V844-R847 PolarHBondContact O-N 3.3Å; V844-L848 HydrophobicContact CG1-CD1 3.51Å; V844-L848 HydrophobicContact CG1-CG 4.02Å; V844-L848 WeakPolarHBondContact O-CG 3.02Å; V844-L848 PolarHBondContact O-N 3.44Å; V844-L848 VanDerWaalsContact O-N 3.12Å |
| 845 | S | 66.6 | Low | 70.7 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.1 | -29.1 | 176.7 | -90.2 | 0 | 0 | 0 | 0 | 113.7 | L839 D841 R847 M849 | L839-S845 PolarHBondContact O-OG 3.44Å; L839-S845 VanDerWaalsContact O-OG 3.12Å; D841-S845 PolarHBondContact O-N 2.92Å; S845-R847 VanDerWaalsContact C-N 3.34Å; S845-R847 PolarHBondContact O-N 3.21Å; S845-M849 VanDerWaalsContact O-CG 3.29Å; S845-M849 WeakPolarHBondContact O-CG 3.21Å |
| 846 | S | 69.4 | Low | 70.6 | Confident | 70 Ų | 70 | 53.5 Ų | 53.5 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.8 | -23.3 | 173 | 79.5 | 0 | 0 | 0 | 0 | 114.7 | P842 Q843 V844 | P842-S846 VanDerWaalsContact O-CB 3.3Å; P842-S846 WeakPolarHBondContact O-CB 3.29Å; P842-S846 PolarHBondContact O-N 3.45Å; Q843-S846 PolarHBondContact O-OG 2.85Å; V844-S846 PolarHBondContact O-N 3.5Å; V844-S846 VanDerWaalsContact O-N 3.14Å |
| 847 | R | 67.2 | Low | 70.8 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 50% | 0.498 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -94.5 | -19.7 | 174.7 | -70.3 | -157.8 | -175.9 | -164.9 | -1.3 | 113.7 | D820 L823 V844 S845 | D820-R847 PolarHBondContact O-NH1 3.43Å; D820-R847 VanDerWaalsContact O-NH1 3.07Å; L823-R847 HydrophobicContact CD2-CG 4.48Å; V844-R847 PolarHBondContact O-N 3.3Å; S845-R847 VanDerWaalsContact C-N 3.34Å; S845-R847 PolarHBondContact O-N 3.21Å |
| 848 | L | 65.1 | Low | 70.7 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | trans | -98.5 | 11.2 | -175.3 | -59.9 | -176 | 0 | 0 | 0 | 114.7 | L719 L839 V844 D850 T851 T854 | L719-L848 HydrophobicContact CB-CD2 4.48Å; L719-L848 HydrophobicContact CD1-CD2 3.67Å; L719-L848 HydrophobicContact CD2-CD1 3.59Å; L719-L848 HydrophobicContact CD2-CD2 3.77Å; L719-L848 HydrophobicContact CD2-CG 4.35Å; L719-L848 HydrophobicContact CG-CD2 4.18Å; L839-L848 HydrophobicContact CD2-CD1 3.6Å; V844-L848 HydrophobicContact CG1-CD1 3.51Å; V844-L848 HydrophobicContact CG1-CG 4.02Å; V844-L848 WeakPolarHBondContact O-CG 3.02Å; V844-L848 PolarHBondContact O-N 3.44Å; V844-L848 VanDerWaalsContact O-N 3.12Å; L848-D850 PolarHBondContact O-N 3.05Å; L848-T851 PolarHBondContact O-N 3.37Å; L848-T851 PolarHBondContact O-OG1 3.12Å; L848-T854 WeakPolarHBondContact CB-OG1 3.08Å; L848-T854 WeakPolarHBondContact O-CB 3.48Å; L848-T854 PolarHBondContact O-OG1 3.29Å | ||
| 849 | M | 57.2 | Low | 70.9 | Confident | 117 Ų | 117 | 52 Ų | 52 | 58% | 0.576 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.3 | -163.5 | -65.3 | -166.6 | -65.7 | 0 | 0 | 115.6 | S845 | S845-M849 VanDerWaalsContact O-CG 3.29Å; S845-M849 WeakPolarHBondContact O-CG 3.21Å |
| 850 | D | 60.6 | Low | 71.3 | Confident | 156 Ų | 156 | 51.4 Ų | 51.4 | 83% | 0.834 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0 | -174.4 | -55.3 | -30.1 | 0 | 0 | 0 | 114.4 | L848 | L848-D850 PolarHBondContact O-N 3.05Š|
| 851 | T | 62.4 | Low | 71.9 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | trans | -85.7 | 140.9 | -177.3 | 71.2 | 0 | 0 | 0 | 0 | 112.8 | D718 L848 A853 T854 G855 | D718-T851 HydrophobicContact CB-CG2 4.06Å; L848-T851 PolarHBondContact O-N 3.37Å; L848-T851 PolarHBondContact O-OG1 3.12Å; T851-A853 VanDerWaalsContact C-N 3.28Å; T851-A853 PolarHBondContact O-N 2.88Å; T851-T854 PolarHBondContact O-N 3.15Å; T851-T854 WeakPolarHBondContact OG1-CB 3.32Å; T851-T854 PolarHBondContact OG1-N 3.41Å; T851-T854 PolarHBondContact OG1-OG1 3.44Å; T851-T854 VanDerWaalsContact OG1-OG1 3.06Å; T851-G855 PolarHBondContact O-N 3.49Å | ||
| 852 | K | 65.2 | Low | 72.5 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.8 | -43.2 | 176.9 | -178 | 179.4 | 175.1 | -173.9 | 0 | 112.1 | E709 P736 T854 G855 E856 | E709-K852 IonicContact OE1-NZ 2.83Å; E709-K852 PolarHBondContact OE1-NZ 3.34Å; P736-K852 HydrophobicContact CB-CB 4.27Å; P736-K852 HydrophobicContact CB-CD 4.31Å; K852-T854 PolarHBondContact O-N 3.37Å; K852-G855 CarbonylContact O-C 3.42Å; K852-G855 WeakPolarHBondContact O-CA 3.36Å; K852-G855 PolarHBondContact O-N 2.81Å; K852-E856 VanDerWaalsContact CE-OE1 3.26Å; K852-E856 WeakPolarHBondContact CE-OE1 3.36Å; K852-E856 PolarHBondContact O-N 3.06Å |
| 853 | A | 63.5 | Low | 73.3 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T851 E856 I857 | T851-A853 VanDerWaalsContact C-N 3.28Å; T851-A853 PolarHBondContact O-N 2.88Å; A853-E856 PolarHBondContact O-N 3.43Å; A853-I857 WeakPolarHBondContact O-CB 3.47Å; A853-I857 WeakPolarHBondContact O-CD1 3.41Å; A853-I857 VanDerWaalsContact O-CG1 3.23Å; A853-I857 WeakPolarHBondContact O-CG1 3.33Å; A853-I857 PolarHBondContact O-N 3.18Å |
| 854 | T | 66.1 | Low | 73.9 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.7 | -34.2 | 172.6 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | L848 T851 K852 E856 K858 | L848-T854 WeakPolarHBondContact CB-OG1 3.08Å; L848-T854 WeakPolarHBondContact O-CB 3.48Å; L848-T854 PolarHBondContact O-OG1 3.29Å; T851-T854 PolarHBondContact O-N 3.15Å; T851-T854 WeakPolarHBondContact OG1-CB 3.32Å; T851-T854 PolarHBondContact OG1-N 3.41Å; T851-T854 PolarHBondContact OG1-OG1 3.44Å; T851-T854 VanDerWaalsContact OG1-OG1 3.06Å; K852-T854 PolarHBondContact O-N 3.37Å; T854-E856 VanDerWaalsContact C-N 3.35Å; T854-K858 HydrophobicContact CG2-CD 3.93Å; T854-K858 VanDerWaalsContact CG2-CE 3.48Å; T854-K858 HydrophobicContact CG2-CG 4.33Å; T854-K858 VanDerWaalsContact O-CB 3.32Å; T854-K858 WeakPolarHBondContact O-CB 3.25Å; T854-K858 VanDerWaalsContact O-CG 3.26Å; T854-K858 WeakPolarHBondContact O-CG 3.37Å; T854-K858 PolarHBondContact O-N 3.45Å |
| 855 | G | 72.6 | Confident | 74.4 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 26% | 0.258 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.1 | -29 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T851 K852 A859 K926 | T851-G855 PolarHBondContact O-N 3.49Å; K852-G855 CarbonylContact O-C 3.42Å; K852-G855 WeakPolarHBondContact O-CA 3.36Å; K852-G855 PolarHBondContact O-N 2.81Å; G855-A859 WeakPolarHBondContact O-CB 3.44Å; G855-A859 PolarHBondContact O-N 3.49Å; G855-K926 PolarHBondContact O-NZ 3.15Å; G855-K926 VanDerWaalsContact O-NZ 3.14Å |
| 856 | E | 78.2 | Confident | 75.3 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.3 | -49.1 | 171.1 | -81.8 | 178.5 | -146.4 | 0 | 0 | 111.9 | K852 A853 T854 A859 L860 F928 | K852-E856 VanDerWaalsContact CE-OE1 3.26Å; K852-E856 WeakPolarHBondContact CE-OE1 3.36Å; K852-E856 PolarHBondContact O-N 3.06Å; A853-E856 PolarHBondContact O-N 3.43Å; T854-E856 VanDerWaalsContact C-N 3.35Å; E856-A859 PolarHBondContact O-N 3.42Å; E856-L860 WeakPolarHBondContact O-CB 3.16Å; E856-L860 PolarHBondContact O-N 2.92Å; E856-F928 HydrophobicContact CB-CD1 4.06Å; E856-F928 HydrophobicContact CB-CE1 3.59Å; E856-F928 HydrophobicContact CB-CZ 4.02Å; E856-F928 HydrophobicContact CG-CD1 4.16Å; E856-F928 HydrophobicContact CG-CE1 3.99Å; E856-F928 HydrophobicContact CG-CZ 4.18Å; E856-F928 WeakPolarHBondContact O-CE1 3.25Å; E856-F928 WeakPolarHBondContact O-CZ 3.36Å; E856-F928 WeakPolarHBondContact OE2-CD1 3.23Å |
| 857 | I | 77.3 | Confident | 76.1 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.5 | -51.7 | 177.7 | -71.1 | 164.3 | 0 | 0 | 0 | 110.1 | L839 A853 A859 L860 E861 | L839-I857 HydrophobicContact CB-CD1 4.48Å; L839-I857 HydrophobicContact CD1-CD1 4.46Å; A853-I857 WeakPolarHBondContact O-CB 3.47Å; A853-I857 WeakPolarHBondContact O-CD1 3.41Å; A853-I857 VanDerWaalsContact O-CG1 3.23Å; A853-I857 WeakPolarHBondContact O-CG1 3.33Å; A853-I857 PolarHBondContact O-N 3.18Å; I857-A859 VanDerWaalsContact C-N 3.28Å; I857-A859 PolarHBondContact O-N 3.44Å; I857-L860 PolarHBondContact O-N 3.09Å; I857-L860 VanDerWaalsContact O-N 3.12Å; I857-E861 HydrophobicContact CG2-CG 4.18Å; I857-E861 WeakPolarHBondContact CG2-OE1 3.49Å; I857-E861 WeakPolarHBondContact O-CB 3.48Å; I857-E861 WeakPolarHBondContact O-CG 3.29Å; I857-E861 PolarHBondContact O-N 3.25Å |
| 858 | K | 81.1 | Confident | 76.7 | Confident | 86 Ų | 86 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -35.6 | 177.7 | -74.4 | 172.9 | 179 | 172.1 | 0 | 113.3 | T854 N862 | T854-K858 HydrophobicContact CG2-CD 3.93Å; T854-K858 VanDerWaalsContact CG2-CE 3.48Å; T854-K858 HydrophobicContact CG2-CG 4.33Å; T854-K858 VanDerWaalsContact O-CB 3.32Å; T854-K858 WeakPolarHBondContact O-CB 3.25Å; T854-K858 VanDerWaalsContact O-CG 3.26Å; T854-K858 WeakPolarHBondContact O-CG 3.37Å; T854-K858 PolarHBondContact O-N 3.45Å; K858-N862 WeakPolarHBondContact O-CB 3.41Å; K858-N862 PolarHBondContact O-N 3.03Å |
| 859 | A | 85.7 | Confident | 77.5 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.8 | -37.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G855 E856 I857 F863 L894 K926 | G855-A859 WeakPolarHBondContact O-CB 3.44Å; G855-A859 PolarHBondContact O-N 3.49Å; E856-A859 PolarHBondContact O-N 3.42Å; I857-A859 VanDerWaalsContact C-N 3.28Å; I857-A859 PolarHBondContact O-N 3.44Å; A859-F863 WeakPolarHBondContact O-CB 3.46Å; A859-F863 PolarHBondContact O-N 3.46Å; A859-L894 HydrophobicContact CB-CD2 3.91Å; A859-K926 HydrophobicContact CB-CD 3.87Å |
| 860 | L | 87.2 | Confident | 78.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.1 | -39.2 | 176 | -173.8 | 64.4 | 0 | 0 | 0 | 112.2 | E856 I857 F863 F864 F928 S934 Q937 L938 | E856-L860 WeakPolarHBondContact O-CB 3.16Å; E856-L860 PolarHBondContact O-N 2.92Å; I857-L860 PolarHBondContact O-N 3.09Å; I857-L860 VanDerWaalsContact O-N 3.12Å; L860-F863 PolarHBondContact O-N 3.5Å; L860-F864 HydrophobicContact CD1-CD2 4.3Å; L860-F864 HydrophobicContact CD1-CE2 3.81Å; L860-F864 HydrophobicContact CD1-CZ 4.43Å; L860-F864 HydrophobicContact CD2-CE2 4.19Å; L860-F864 HydrophobicContact CG-CD2 4.02Å; L860-F864 HydrophobicContact CG-CE2 3.69Å; L860-F864 WeakPolarHBondContact O-CD2 3.28Å; L860-F864 PolarHBondContact O-N 2.97Å; L860-F928 HydrophobicContact CB-CE1 4.1Å; L860-F928 HydrophobicContact CB-CZ 4.21Å; L860-F928 HydrophobicContact CD2-CE1 4.39Å; L860-S934 WeakPolarHBondContact CD2-O 3.12Å; L860-Q937 HydrophobicContact CD2-CB 3.9Å; L860-L938 HydrophobicContact CD1-CB 4.38Å; L860-L938 HydrophobicContact CD1-CD1 4.42Å |
| 861 | E | 84.7 | Confident | 79.7 | Confident | 75 Ų | 75 | 39.5 Ų | 39.5 | 35% | 0.35 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 170.3 | -72.8 | 171.2 | 165.2 | 0 | 0 | 111.1 | I857 F863 F864 N865 | I857-E861 HydrophobicContact CG2-CG 4.18Å; I857-E861 WeakPolarHBondContact CG2-OE1 3.49Å; I857-E861 WeakPolarHBondContact O-CB 3.48Å; I857-E861 WeakPolarHBondContact O-CG 3.29Å; I857-E861 PolarHBondContact O-N 3.25Å; E861-F863 VanDerWaalsContact C-N 3.31Å; E861-F863 PolarHBondContact O-N 3.1Å; E861-F864 PolarHBondContact O-N 3.06Å; E861-N865 WeakPolarHBondContact O-CB 3.49Å; E861-N865 PolarHBondContact O-N 3.47Å; E861-N865 PolarHBondContact O-ND2 3.17Å |
| 862 | N | 88 | Confident | 80.7 | Confident | 75 Ų | 75 | 43 Ų | 43 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 174.3 | -168.7 | 37.9 | 0 | 0 | 0 | 111.6 | K858 N865 L866 I947 | K858-N862 WeakPolarHBondContact O-CB 3.41Å; K858-N862 PolarHBondContact O-N 3.03Å; N862-N865 PolarHBondContact O-N 3.14Å; N862-L866 WeakPolarHBondContact O-CB 3.5Å; N862-L866 VanDerWaalsContact O-CG 3.32Å; N862-L866 WeakPolarHBondContact O-CG 3.5Å; N862-L866 PolarHBondContact O-N 2.65Å; N862-I947 HydrophobicContact CB-CD1 4.22Å |
| 863 | F | 91.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 173.6 | 175.4 | -90 | 0 | 0 | 0 | 112.3 | A859 L860 E861 N865 L866 L867 A874 Y876 L894 L941 A945 I947 | A859-F863 WeakPolarHBondContact O-CB 3.46Å; A859-F863 PolarHBondContact O-N 3.46Å; L860-F863 PolarHBondContact O-N 3.5Å; E861-F863 VanDerWaalsContact C-N 3.31Å; E861-F863 PolarHBondContact O-N 3.1Å; F863-N865 PolarHBondContact O-N 2.92Å; F863-L866 PolarHBondContact O-N 3.46Å; F863-L867 HydrophobicContact CE1-CB 4.44Å; F863-L867 HydrophobicContact CE1-CD2 4.11Å; F863-L867 HydrophobicContact CZ-CD1 4.35Å; F863-L867 WeakPolarHBondContact O-CB 3.32Å; F863-L867 PolarHBondContact O-N 3.43Å; F863-A874 HydrophobicContact CD2-CB 4.17Å; F863-A874 HydrophobicContact CE2-CB 3.73Å; F863-A874 HydrophobicContact CZ-CB 4.19Å; F863-Y876 HydrophobicContact CZ-CD1 4.25Å; F863-L894 HydrophobicContact CB-CD1 3.66Å; F863-L894 HydrophobicContact CD2-CD1 4.18Å; F863-L894 HydrophobicContact CG-CD1 3.94Å; F863-L941 HydrophobicContact CD1-CD1 4.14Å; F863-L941 HydrophobicContact CE1-CD1 3.61Å; F863-A945 HydrophobicContact CD2-CB 4.04Å; F863-A945 HydrophobicContact CE1-CB 4.23Å; F863-A945 HydrophobicContact CE2-CB 3.69Å; F863-A945 HydrophobicContact CG-CB 4.46Å; F863-A945 HydrophobicContact CZ-CB 3.81Å; F863-I947 HydrophobicContact CB-CD1 4.14Å; F863-I947 HydrophobicContact CB-CG1 4.07Å; F863-I947 HydrophobicContact CD2-CG1 4.09Å |
| 864 | F | 87.1 | Confident | 83.1 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.9 | -76.7 | -60.2 | 0 | 0 | 0 | 112.6 | L860 E861 L867 L941 S989 | L860-F864 HydrophobicContact CD1-CD2 4.3Å; L860-F864 HydrophobicContact CD1-CE2 3.81Å; L860-F864 HydrophobicContact CD1-CZ 4.43Å; L860-F864 HydrophobicContact CD2-CE2 4.19Å; L860-F864 HydrophobicContact CG-CD2 4.02Å; L860-F864 HydrophobicContact CG-CE2 3.69Å; L860-F864 WeakPolarHBondContact O-CD2 3.28Å; L860-F864 PolarHBondContact O-N 2.97Å; E861-F864 PolarHBondContact O-N 3.06Å; F864-L867 HydrophobicContact CD1-CD2 4.39Å; F864-L867 PolarHBondContact O-N 2.98Å; F864-L941 HydrophobicContact CE1-CD1 3.95Å; F864-L941 HydrophobicContact CE1-CD2 4.42Å; F864-L941 HydrophobicContact CZ-CD1 3.97Å; F864-S989 PolarHBondContact O-OG 3.23Å; F864-S989 VanDerWaalsContact O-OG 3.14Å |
| 865 | N | 85.5 | Confident | 84.2 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 174.1 | -70.4 | -29.4 | 0 | 0 | 0 | 111.3 | E861 N862 F863 N869 | E861-N865 WeakPolarHBondContact O-CB 3.49Å; E861-N865 PolarHBondContact O-N 3.47Å; E861-N865 PolarHBondContact O-ND2 3.17Å; N862-N865 PolarHBondContact O-N 3.14Å; F863-N865 PolarHBondContact O-N 2.92Å; N865-N869 WeakPolarHBondContact O-CB 3.14Å; N865-N869 PolarHBondContact O-N 3.45Å; N865-N869 PolarHBondContact O-ND2 2.97Å |
| 866 | L | 86.5 | Confident | 85 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.4 | -34.4 | 176 | -73.5 | 170.9 | 0 | 0 | 0 | 112.4 | N862 F863 V868 E870 A874 I947 | N862-L866 WeakPolarHBondContact O-CB 3.5Å; N862-L866 VanDerWaalsContact O-CG 3.32Å; N862-L866 WeakPolarHBondContact O-CG 3.5Å; N862-L866 PolarHBondContact O-N 2.65Å; F863-L866 PolarHBondContact O-N 3.46Å; L866-V868 PolarHBondContact O-N 2.97Å; L866-E870 HydrophobicContact CD2-CB 4.28Å; L866-E870 CarbonylContact O-C 3.58Å; L866-E870 WeakPolarHBondContact O-CA 3.45Å; L866-E870 PolarHBondContact O-N 3.14Å; L866-E870 VanDerWaalsContact O-O 3.13Å; L866-A874 HydrophobicContact CB-CB 4.16Å; L866-I947 HydrophobicContact CD1-CB 4.43Å; L866-I947 HydrophobicContact CD1-CD1 4.42Å; L866-I947 HydrophobicContact CD1-CG1 4.19Å; L866-I947 HydrophobicContact CD1-CG2 3.52Å |
| 867 | L | 86.2 | Confident | 85.3 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.5 | -27.9 | 178.2 | -175 | 62.7 | 0 | 0 | 0 | 113 | F863 F864 P871 A874 Y876 A986 | F863-L867 HydrophobicContact CE1-CB 4.44Å; F863-L867 HydrophobicContact CE1-CD2 4.11Å; F863-L867 HydrophobicContact CZ-CD1 4.35Å; F863-L867 WeakPolarHBondContact O-CB 3.32Å; F863-L867 PolarHBondContact O-N 3.43Å; F864-L867 HydrophobicContact CD1-CD2 4.39Å; F864-L867 PolarHBondContact O-N 2.98Å; L867-P871 WeakPolarHBondContact O-CB 3.32Å; L867-A874 VanDerWaalsContact CA-CB 3.45Å; L867-A874 HydrophobicContact CB-CB 3.97Å; L867-A874 HydrophobicContact CD1-CB 4.04Å; L867-Y876 HydrophobicContact CD1-CD1 4.19Å; L867-Y876 HydrophobicContact CD1-CE1 4.05Å; L867-A986 VanDerWaalsContact O-O 3.13Å |
| 868 | V | 79.4 | Confident | 85.8 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -109.4 | -38.8 | 179.8 | 170 | 0 | 0 | 0 | 0 | 113.5 | L866 A986 L987 S989 S990 | L866-V868 PolarHBondContact O-N 2.97Å; V868-A986 WeakPolarHBondContact CG2-O 3.04Å; V868-L987 VanDerWaalsContact CG1-C 3.43Å; V868-L987 HydrophobicContact CG1-CD2 4.39Å; V868-L987 VanDerWaalsContact O-CD2 3.31Å; V868-L987 WeakPolarHBondContact O-CD2 3.48Å; V868-S989 WeakPolarHBondContact CG2-OG 3.2Å; V868-S990 WeakPolarHBondContact CG1-OG 3.47Å |
| 869 | N | 81 | Confident | 86.1 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 49% | 0.492 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -37.2 | 176.4 | -67.7 | -69.5 | 0 | 0 | 0 | 112.1 | N865 S990 | N865-N869 WeakPolarHBondContact O-CB 3.14Å; N865-N869 PolarHBondContact O-N 3.45Å; N865-N869 PolarHBondContact O-ND2 2.97Å; N869-S990 WeakPolarHBondContact ND2-CB 3.43Å; N869-S990 PolarHBondContact ND2-OG 3.44Å; N869-S990 WeakPolarHBondContact OD1-CB 3.36Å; N869-S990 PolarHBondContact OD1-OG 3Å |
| 870 | E | 83.9 | Confident | 86.1 | Confident | 90 Ų | 90 | 50 Ų | 50 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | trans | -145.6 | 62.3 | -172.4 | -61.3 | -174.2 | 160.1 | 0 | 0 | 110.9 | L866 Q872 R873 | L866-E870 HydrophobicContact CD2-CB 4.28Å; L866-E870 CarbonylContact O-C 3.58Å; L866-E870 WeakPolarHBondContact O-CA 3.45Å; L866-E870 PolarHBondContact O-N 3.14Å; L866-E870 VanDerWaalsContact O-O 3.13Å; E870-Q872 PolarHBondContact O-N 3.45Å; E870-R873 HydrophobicContact CB-CB 4.49Å; E870-R873 PolarHBondContact O-N 3.27Å; E870-R873 VanDerWaalsContact OE2-CD 3.27Å; E870-R873 WeakPolarHBondContact OE2-CD 3.25Å; E870-R873 IonicContact OE2-CZ 3.32Å; E870-R873 IonicContact OE2-NE 3.35Å; E870-R873 IonicContact OE2-NH1 3.78Å; E870-R873 PolarHBondContact OE2-NH1 3.49Å | ||
| 871 | P | 81.6 | Confident | 86.3 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -51.6 | -30.9 | -172.8 | 13.5 | -28.7 | 0 | 0 | 0 | 114.6 | L867 R873 A874 | L867-P871 WeakPolarHBondContact O-CB 3.32Å; P871-R873 PolarHBondContact O-N 2.94Å; P871-A874 PolarHBondContact O-N 3.03Å; P871-A874 VanDerWaalsContact O-N 3.07Å |
| 872 | Q | 83.2 | Confident | 86.5 | Confident | 100 Ų | 100 | 47.7 Ų | 47.7 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -60.6 | -11.7 | 174.3 | -65.6 | 178.5 | 5.5 | 0 | 0 | 114.3 | E870 P951 M952 | E870-Q872 PolarHBondContact O-N 3.45Å; Q872-P951 HydrophobicContact CB-CB 3.61Å; Q872-P951 WeakPolarHBondContact O-CA 3.37Å; Q872-M952 WeakPolarHBondContact CB-O 3.14Å; Q872-M952 PolarHBondContact O-N 2.87Å |
| 873 | R | 88.4 | Confident | 86.4 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -111.2 | 5.9 | 176.2 | -70 | -178.8 | 65.4 | -148.8 | -0.3 | 114.3 | E870 P871 E891 I947 L948 P951 | E870-R873 HydrophobicContact CB-CB 4.49Å; E870-R873 PolarHBondContact O-N 3.27Å; E870-R873 VanDerWaalsContact OE2-CD 3.27Å; E870-R873 WeakPolarHBondContact OE2-CD 3.25Å; E870-R873 IonicContact OE2-CZ 3.32Å; E870-R873 IonicContact OE2-NE 3.35Å; E870-R873 IonicContact OE2-NH1 3.78Å; E870-R873 PolarHBondContact OE2-NH1 3.49Å; P871-R873 PolarHBondContact O-N 2.94Å; R873-E891 IonicContact NH2-OE2 2.74Å; R873-E891 PolarHBondContact NH2-OE2 3.41Å; R873-I947 WeakPolarHBondContact O-CA 3.31Å; R873-L948 HydrophobicContact CB-CB 4.37Å; R873-L948 PolarHBondContact NE-O 3.21Å; R873-L948 PolarHBondContact NH2-O 2.76Å; R873-L948 PolarHBondContact O-N 3.44Å; R873-P951 HydrophobicContact CG-CB 3.98Å |
| 874 | A | 90.1 | Very high | 86.3 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 73.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F863 L866 L867 P871 | F863-A874 HydrophobicContact CD2-CB 4.17Å; F863-A874 HydrophobicContact CE2-CB 3.73Å; F863-A874 HydrophobicContact CZ-CB 4.19Å; L866-A874 HydrophobicContact CB-CB 4.16Å; L867-A874 VanDerWaalsContact CA-CB 3.45Å; L867-A874 HydrophobicContact CB-CB 3.97Å; L867-A874 HydrophobicContact CD1-CB 4.04Å; P871-A874 PolarHBondContact O-N 3.03Å; P871-A874 VanDerWaalsContact O-N 3.07Å |
| 875 | F | 89.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 141.4 | -176.8 | -82.2 | 19.5 | 0 | 0 | 0 | 111.4 | H880 A884 A945 A946 L948 M952 | F875-H880 HydrophobicContact CB-CB 4.09Å; F875-H880 HydrophobicContact CD2-CB 3.87Å; F875-H880 WeakPolarHBondContact CD2-O 3.21Å; F875-H880 HydrophobicContact CG-CB 4.19Å; F875-A884 HydrophobicContact CD2-CB 4.17Å; F875-A945 CarbonylContact O-C 3.55Å; F875-A945 WeakPolarHBondContact O-CA 3.33Å; F875-A946 PolarHBondContact N-O 3.42Å; F875-A946 PolarHBondContact O-N 2.95Å; F875-L948 HydrophobicContact CB-CD1 4.46Å; F875-L948 HydrophobicContact CD1-CD1 4.02Å; F875-L948 HydrophobicContact CD2-CD1 4.05Å; F875-L948 HydrophobicContact CE1-CD1 4.29Å; F875-L948 HydrophobicContact CE2-CD1 4.34Å; F875-L948 HydrophobicContact CG-CD1 3.91Å; F875-L948 HydrophobicContact CZ-CD1 4.46Å; F875-M952 HydrophobicContact CD2-CE 4.49Å; F875-M952 HydrophobicContact CE1-CB 4.47Å; F875-M952 HydrophobicContact CE2-CB 4.13Å; F875-M952 HydrophobicContact CE2-CE 3.8Å; F875-M952 HydrophobicContact CZ-CB 3.72Å; F875-M952 HydrophobicContact CZ-CE 4.49Å |
| 876 | Y | 89 | Confident | 86.5 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.8 | 177.7 | 66 | -82 | 0 | 0 | 0 | 112.2 | F863 L867 H880 | F863-Y876 HydrophobicContact CZ-CD1 4.25Å; L867-Y876 HydrophobicContact CD1-CD1 4.19Å; L867-Y876 HydrophobicContact CD1-CE1 4.05Å; Y876-H880 PolarHBondContact O-ND1 2.82Å |
| 877 | G | 85.9 | Confident | 86.5 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 83 | 150.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K879 H880 V881 V944 | G877-K879 PolarHBondContact O-N 2.82Å; G877-H880 PolarHBondContact O-N 3.35Å; G877-V881 WeakPolarHBondContact O-CG2 3.36Å; G877-V881 PolarHBondContact O-N 3.26Å; G877-V881 VanDerWaalsContact O-N 3.09Å; G877-V944 PolarHBondContact N-O 2.96Å |
| 878 | I | 87.2 | Confident | 86.6 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | -164.1 | -169.9 | 51.4 | 0 | 0 | 0 | 114.3 | H880 V881 E882 Y911 L914 | I878-H880 VanDerWaalsContact C-N 3.3Å; I878-H880 PolarHBondContact O-N 3.23Å; I878-V881 PolarHBondContact O-N 3.1Å; I878-E882 HydrophobicContact CD1-CG 3.76Å; I878-E882 WeakPolarHBondContact CD1-OE1 3.48Å; I878-E882 HydrophobicContact CG1-CG 4.26Å; I878-E882 WeakPolarHBondContact CG1-OE1 3.45Å; I878-E882 WeakPolarHBondContact O-CB 3.46Å; I878-E882 WeakPolarHBondContact O-CG 3.35Å; I878-E882 PolarHBondContact O-N 2.84Å; I878-Y911 HydrophobicContact CB-CE1 4.38Å; I878-Y911 HydrophobicContact CD1-CD1 3.93Å; I878-Y911 HydrophobicContact CD1-CE1 3.63Å; I878-Y911 HydrophobicContact CG1-CE1 4Å; I878-L914 HydrophobicContact CD1-CD2 3.74Å |
| 879 | K | 86.3 | Confident | 87.1 | Confident | 130 Ų | 130 | 54.2 Ų | 54.2 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -52.7 | -46.2 | 177.5 | -74.7 | -168.8 | 176.8 | -173.5 | 0 | 112.2 | G877 L883 | G877-K879 PolarHBondContact O-N 2.82Å; K879-L883 WeakPolarHBondContact O-CD1 3.28Å; K879-L883 WeakPolarHBondContact O-CG 3.29Å; K879-L883 PolarHBondContact O-N 2.94Å; K879-L883 VanDerWaalsContact O-N 3.14Å |
| 880 | H | 87.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 49.8 Ų | 49.8 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -43.6 | -176.8 | -55.6 | 155.9 | 0 | 0 | 0 | 111.4 | F875 Y876 G877 I878 L883 A884 | F875-H880 HydrophobicContact CB-CB 4.09Å; F875-H880 HydrophobicContact CD2-CB 3.87Å; F875-H880 WeakPolarHBondContact CD2-O 3.21Å; F875-H880 HydrophobicContact CG-CB 4.19Å; Y876-H880 PolarHBondContact O-ND1 2.82Å; G877-H880 PolarHBondContact O-N 3.35Å; I878-H880 VanDerWaalsContact C-N 3.3Å; I878-H880 PolarHBondContact O-N 3.23Å; H880-L883 PolarHBondContact O-N 3.41Å; H880-A884 WeakPolarHBondContact O-CB 3.33Å; H880-A884 PolarHBondContact O-N 2.94Å |
| 881 | V | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.3 | -31.1 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | G877 I878 A884 A885 I890 L893 L914 V944 A946 | G877-V881 WeakPolarHBondContact O-CG2 3.36Å; G877-V881 PolarHBondContact O-N 3.26Å; G877-V881 VanDerWaalsContact O-N 3.09Å; I878-V881 PolarHBondContact O-N 3.1Å; V881-A884 PolarHBondContact O-N 3.44Å; V881-A885 PolarHBondContact O-N 3.32Å; V881-I890 HydrophobicContact CG1-CD1 3.98Å; V881-L893 HydrophobicContact CG1-CD1 3.63Å; V881-L914 HydrophobicContact CG1-CD1 4.37Å; V881-L914 HydrophobicContact CG1-CD2 4.08Å; V881-V944 HydrophobicContact CB-CG1 4.21Å; V881-V944 HydrophobicContact CG1-CG1 3.91Å; V881-V944 HydrophobicContact CG2-CG1 4.11Å; V881-A946 HydrophobicContact CG1-CB 3.98Å; V881-A946 HydrophobicContact CG2-CB 4.03Å |
| 882 | E | 89 | Confident | 88.5 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -47.9 | 170.7 | -75.9 | 167 | 157.4 | 0 | 0 | 111.8 | I878 A884 A885 E886 R910 L914 | I878-E882 HydrophobicContact CD1-CG 3.76Å; I878-E882 WeakPolarHBondContact CD1-OE1 3.48Å; I878-E882 HydrophobicContact CG1-CG 4.26Å; I878-E882 WeakPolarHBondContact CG1-OE1 3.45Å; I878-E882 WeakPolarHBondContact O-CB 3.46Å; I878-E882 WeakPolarHBondContact O-CG 3.35Å; I878-E882 PolarHBondContact O-N 2.84Å; E882-A884 PolarHBondContact O-N 3.19Å; E882-A885 CarbonylContact O-C 3.59Å; E882-A885 WeakPolarHBondContact O-CA 3.13Å; E882-A885 WeakPolarHBondContact O-CB 3.45Å; E882-A885 PolarHBondContact O-N 3.43Å; E882-E886 WeakPolarHBondContact O-CG 3.26Å; E882-E886 PolarHBondContact O-N 2.79Å; E882-R910 WeakPolarHBondContact OE1-CD 3.39Å; E882-R910 WeakPolarHBondContact OE1-CG 3.22Å; E882-R910 IonicContact OE1-CZ 3.5Å; E882-R910 IonicContact OE1-NE 3.57Å; E882-R910 PolarHBondContact OE1-NE 2.91Å; E882-R910 IonicContact OE1-NH2 3.3Å; E882-R910 PolarHBondContact OE1-NH2 3.17Å; E882-R910 IonicContact OE2-CZ 2.74Å; E882-R910 IonicContact OE2-NE 3.53Å; E882-R910 PolarHBondContact OE2-NE 3.4Å; E882-R910 IonicContact OE2-NH2 3.98Å; E882-R910 PolarHBondContact OE2-NH2 2.99Å; E882-L914 HydrophobicContact CG-CD1 4.34Å |
| 883 | L | 86.9 | Confident | 89 | Confident | 72 Ų | 72 | 43.1 Ų | 43.1 | 38% | 0.377 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -30.7 | 174.9 | -73.6 | 163.8 | 0 | 0 | 0 | 112.4 | K879 H880 A887 I955 | K879-L883 WeakPolarHBondContact O-CD1 3.28Å; K879-L883 WeakPolarHBondContact O-CG 3.29Å; K879-L883 PolarHBondContact O-N 2.94Å; K879-L883 VanDerWaalsContact O-N 3.14Å; H880-L883 PolarHBondContact O-N 3.41Å; L883-A887 VanDerWaalsContact O-CB 3.32Å; L883-A887 WeakPolarHBondContact O-CB 3.02Å; L883-A887 PolarHBondContact O-N 3.22Å; L883-A887 VanDerWaalsContact O-N 3.11Å; L883-I955 HydrophobicContact CB-CD1 4.49Å; L883-I955 HydrophobicContact CD1-CD1 3.43Å; L883-I955 VanDerWaalsContact CD1-CD1 3.43Å; L883-I955 HydrophobicContact CD1-CG1 4.1Å |
| 884 | A | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.9 | -32.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F875 H880 V881 E882 E888 A889 I890 L948 M952 | F875-A884 HydrophobicContact CD2-CB 4.17Å; H880-A884 WeakPolarHBondContact O-CB 3.33Å; H880-A884 PolarHBondContact O-N 2.94Å; V881-A884 PolarHBondContact O-N 3.44Å; E882-A884 PolarHBondContact O-N 3.19Å; A884-E888 PolarHBondContact O-N 2.95Å; A884-A889 HydrophobicContact CB-CB 4.44Å; A884-A889 WeakPolarHBondContact O-CB 3.3Å; A884-A889 PolarHBondContact O-N 3.35Å; A884-I890 HydrophobicContact CB-CD1 4.43Å; A884-I890 HydrophobicContact CB-CG1 3.93Å; A884-L948 HydrophobicContact CB-CD1 4.41Å; A884-L948 HydrophobicContact CB-CD2 3.64Å; A884-M952 HydrophobicContact CB-CE 4.21Å |
| 885 | A | 89.3 | Confident | 89.2 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.6 | -43.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V881 E882 A887 E888 I890 L914 Q921 | V881-A885 PolarHBondContact O-N 3.32Å; E882-A885 CarbonylContact O-C 3.59Å; E882-A885 WeakPolarHBondContact O-CA 3.13Å; E882-A885 WeakPolarHBondContact O-CB 3.45Å; E882-A885 PolarHBondContact O-N 3.43Å; A885-A887 PolarHBondContact O-N 3.39Å; A885-E888 PolarHBondContact O-N 2.83Å; A885-I890 HydrophobicContact CB-CD1 3.83Å; A885-L914 HydrophobicContact CB-CD1 3.67Å; A885-Q921 PolarHBondContact O-NE2 3.47Å; A885-Q921 PolarHBondContact O-OE1 3.5Å |
| 886 | E | 87.2 | Confident | 89.2 | Confident | 153 Ų | 153 | 40 Ų | 40 | 72% | 0.715 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -60.4 | -30.1 | 175 | -71 | 176.5 | -171.3 | 0 | 0 | 112.6 | E882 | E882-E886 WeakPolarHBondContact O-CG 3.26Å; E882-E886 PolarHBondContact O-N 2.79Å |
| 887 | A | 86.1 | Confident | 88.8 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L883 A885 A889 M952 | L883-A887 VanDerWaalsContact O-CB 3.32Å; L883-A887 WeakPolarHBondContact O-CB 3.02Å; L883-A887 PolarHBondContact O-N 3.22Å; L883-A887 VanDerWaalsContact O-N 3.11Å; A885-A887 PolarHBondContact O-N 3.39Å; A887-A889 HydrophobicContact CB-CB 4.19Å; A887-A889 PolarHBondContact O-N 3.43Å; A887-A889 VanDerWaalsContact O-N 3.11Å; A887-M952 HydrophobicContact CB-CE 3.93Å; A887-M952 HydrophobicContact CB-SD 3.53Å; A887-M952 VanDerWaalsContact CB-SD 3.53Å |
| 888 | E | 89.5 | Confident | 88.6 | Confident | 133 Ų | 133 | 38.5 Ų | 38.5 | 62% | 0.621 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 23.8 | -171.2 | -56.6 | -173.1 | 165.5 | 0 | 0 | 114.1 | A884 A885 Q921 | A884-E888 PolarHBondContact O-N 2.95Å; A885-E888 PolarHBondContact O-N 2.83Å; E888-Q921 HydrophobicContact CG-CG 4.3Å |
| 889 | A | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -83 | -13.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A884 A887 E891 L948 R949 F950 M952 | A884-A889 HydrophobicContact CB-CB 4.44Å; A884-A889 WeakPolarHBondContact O-CB 3.3Å; A884-A889 PolarHBondContact O-N 3.35Å; A887-A889 HydrophobicContact CB-CB 4.19Å; A887-A889 PolarHBondContact O-N 3.43Å; A887-A889 VanDerWaalsContact O-N 3.11Å; A889-E891 PolarHBondContact O-N 3.31Å; A889-L948 HydrophobicContact CB-CD1 4.45Å; A889-L948 HydrophobicContact CB-CD2 4.32Å; A889-L948 CarbonylContact O-C 3.56Å; A889-L948 WeakPolarHBondContact O-CA 3.5Å; A889-L948 WeakPolarHBondContact O-CB 3.37Å; A889-R949 PolarHBondContact O-N 3.01Å; A889-F950 HydrophobicContact CB-CD2 4.41Å; A889-F950 HydrophobicContact CB-CE1 4.1Å; A889-F950 HydrophobicContact CB-CE2 3.69Å; A889-F950 HydrophobicContact CB-CZ 3.51Å; A889-M952 HydrophobicContact CB-CE 4.46Å; A889-M952 HydrophobicContact CB-CG 4.29Å; A889-M952 HydrophobicContact CB-SD 4.11Å | ||
| 890 | I | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128 | -172.1 | -56.3 | -178.4 | 0 | 0 | 0 | 111.7 | V881 A884 A885 L893 A923 A946 L948 R949 | V881-I890 HydrophobicContact CG1-CD1 3.98Å; A884-I890 HydrophobicContact CB-CD1 4.43Å; A884-I890 HydrophobicContact CB-CG1 3.93Å; A885-I890 HydrophobicContact CB-CD1 3.83Å; I890-L893 HydrophobicContact CG2-CB 4.14Å; I890-A923 HydrophobicContact CB-CB 4.34Å; I890-A923 HydrophobicContact CG2-CB 3.85Å; I890-A946 HydrophobicContact CD1-CB 4.38Å; I890-A946 HydrophobicContact CG1-CB 4.25Å; I890-A946 HydrophobicContact CG2-CB 4.22Å; I890-L948 HydrophobicContact CG1-CD2 4.29Å; I890-R949 VanDerWaalsContact O-CZ 3.24Å; I890-R949 PolarHBondContact O-NE 2.89Å; I890-R949 PolarHBondContact O-NH2 2.73Å |
| 891 | E | 91.6 | Very high | 87.5 | Confident | 75 Ų | 75 | 31.8 Ų | 31.8 | 35% | 0.35 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -47 | 171.3 | -167.9 | 179.9 | 161.1 | 0 | 0 | 111.4 | R873 A889 A923 D924 I947 R949 | R873-E891 IonicContact NH2-OE2 2.74Å; R873-E891 PolarHBondContact NH2-OE2 3.41Å; A889-E891 PolarHBondContact O-N 3.31Å; E891-A923 WeakPolarHBondContact O-CA 3.36Å; E891-D924 PolarHBondContact O-N 3.32Å; E891-I947 WeakPolarHBondContact CA-O 3.41Å; E891-I947 HydrophobicContact CB-CG2 4.39Å; E891-I947 WeakPolarHBondContact CB-O 3.41Å; E891-I947 PolarHBondContact N-O 3.49Å; E891-R949 HydrophobicContact CB-CG 3.68Å; E891-R949 HydrophobicContact CG-CG 4.2Å |
| 892 | T | 92.7 | Very high | 86.5 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.7 | 175.5 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | L894 D924 A946 I947 | T892-L894 HydrophobicContact CG2-CD2 3.75Å; T892-D924 CarbonylContact C-O 3.58Å; T892-D924 VanDerWaalsContact CA-O 3.22Å; T892-D924 WeakPolarHBondContact CA-O 3.33Å; T892-D924 HydrophobicContact CG2-CB 4.14Å; T892-D924 VanDerWaalsContact CG2-O 3.24Å; T892-D924 WeakPolarHBondContact CG2-O 3.38Å; T892-A946 WeakPolarHBondContact O-CA 3.41Å; T892-I947 PolarHBondContact N-O 2.89Å; T892-I947 PolarHBondContact O-N 3.2Å |
| 893 | L | 93.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.7 | 173.8 | 179.4 | 61.7 | 0 | 0 | 0 | 109.8 | V881 I890 L914 V915 A918 D924 V925 K926 V944 | V881-L893 HydrophobicContact CG1-CD1 3.63Å; I890-L893 HydrophobicContact CG2-CB 4.14Å; L893-L914 HydrophobicContact CD2-CG 4.47Å; L893-V915 HydrophobicContact CD2-CG2 3.97Å; L893-A918 HydrophobicContact CB-CB 4.42Å; L893-A918 HydrophobicContact CD2-CB 3.75Å; L893-D924 PolarHBondContact N-O 3.37Å; L893-V925 HydrophobicContact CB-CG1 4.33Å; L893-V925 HydrophobicContact CB-CG2 4.15Å; L893-V925 HydrophobicContact CD2-CG1 4.08Å; L893-V925 HydrophobicContact CD2-CG2 4.3Å; L893-V925 HydrophobicContact CG-CG1 4.36Å; L893-K926 PolarHBondContact O-N 3.27Å; L893-V944 HydrophobicContact CD1-CG1 3.84Å |
| 894 | L | 93 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.3 | 179.5 | -48.2 | 174.7 | 0 | 0 | 0 | 108 | A859 F863 T892 K926 F928 L938 V944 A945 | A859-L894 HydrophobicContact CB-CD2 3.91Å; F863-L894 HydrophobicContact CB-CD1 3.66Å; F863-L894 HydrophobicContact CD2-CD1 4.18Å; F863-L894 HydrophobicContact CG-CD1 3.94Å; T892-L894 HydrophobicContact CG2-CD2 3.75Å; L894-K926 HydrophobicContact CD2-CB 4.42Å; L894-F928 HydrophobicContact CB-CD2 4.49Å; L894-F928 HydrophobicContact CB-CE2 3.83Å; L894-F928 HydrophobicContact CD2-CE2 3.68Å; L894-F928 HydrophobicContact CD2-CZ 3.98Å; L894-F928 HydrophobicContact CG-CE2 4.3Å; L894-L938 HydrophobicContact CB-CD1 4.09Å; L894-L938 HydrophobicContact CB-CD2 3.88Å; L894-V944 CarbonylContact O-C 3.57Å; L894-V944 WeakPolarHBondContact O-CA 3.42Å; L894-A945 WeakPolarHBondContact CA-O 2.81Å; L894-A945 HydrophobicContact CB-CB 4.34Å; L894-A945 WeakPolarHBondContact CB-O 3.39Å; L894-A945 HydrophobicContact CD1-CB 4.28Å; L894-A945 PolarHBondContact N-O 2.99Å; L894-A945 PolarHBondContact O-N 3.21Å; L894-A945 VanDerWaalsContact O-O 3.12Å |
| 895 | I | 90.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 139.3 | -176.9 | -172 | 154.2 | 0 | 0 | 0 | 112.8 | L899 F900 Y911 V915 K926 I927 F928 G943 V944 | I895-L899 HydrophobicContact CD1-CD1 4.41Å; I895-L899 HydrophobicContact CG1-CD1 4.13Å; I895-F900 HydrophobicContact CD1-CE1 4.15Å; I895-F900 HydrophobicContact CD1-CE2 4.17Å; I895-F900 HydrophobicContact CD1-CZ 3.57Å; I895-F900 HydrophobicContact CG1-CE2 3.96Å; I895-F900 HydrophobicContact CG1-CZ 3.85Å; I895-F900 HydrophobicContact CG2-CE2 4.08Å; I895-F900 HydrophobicContact CG2-CZ 3.93Å; I895-Y911 HydrophobicContact CD1-CD1 4.07Å; I895-Y911 HydrophobicContact CD1-CG 4.47Å; I895-V915 HydrophobicContact CD1-CG2 4.44Å; I895-V915 HydrophobicContact CG2-CG2 4.45Å; I895-K926 PolarHBondContact N-O 3.06Å; I895-I927 HydrophobicContact CG2-CG1 3.92Å; I895-I927 CarbonylContact O-C 3.58Å; I895-I927 VanDerWaalsContact O-CA 3.29Å; I895-I927 WeakPolarHBondContact O-CA 3.43Å; I895-F928 PolarHBondContact O-N 3.32Å; I895-G943 CarbonylContact C-O 3.54Å; I895-G943 WeakPolarHBondContact CA-O 3.37Å; I895-V944 HydrophobicContact CD1-CG1 4.45Å; I895-V944 HydrophobicContact CD1-CG2 3.97Å; I895-V944 HydrophobicContact CG1-CG2 4.15Å |
| 896 | T | 88.5 | Confident | 83 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 140.1 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 113 | T898 L899 F928 L938 A939 G943 | T896-T898 PolarHBondContact O-N 2.69Å; T896-T898 VanDerWaalsContact O-N 3.09Å; T896-T898 PolarHBondContact OG1-OG1 3.48Å; T896-L899 PolarHBondContact O-N 2.86Å; T896-L899 VanDerWaalsContact O-N 3.1Å; T896-F928 WeakPolarHBondContact CA-O 3.42Å; T896-F928 HydrophobicContact CG2-CB 4.43Å; T896-L938 HydrophobicContact CG2-CB 3.82Å; T896-L938 HydrophobicContact CG2-CD2 3.77Å; T896-L938 HydrophobicContact CG2-CG 3.78Å; T896-A939 HydrophobicContact CG2-CB 4.34Å; T896-G943 PolarHBondContact N-O 3.02Å; T896-G943 VanDerWaalsContact OG1-CA 3.31Å; T896-G943 WeakPolarHBondContact OG1-CA 3.46Å; T896-G943 PolarHBondContact OG1-O 3.45Å |
| 897 | D | 81.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -54.9 | -31 | -178.5 | 67.7 | -10.9 | 0 | 0 | 0 | 114.5 | W609 N613 L899 F900 I927 F928 S930 | W609-D897 WeakPolarHBondContact CZ2-OD2 3.17Å; N613-D897 PolarHBondContact ND2-OD2 3.17Å; D897-L899 PolarHBondContact O-N 3.03Å; D897-L899 VanDerWaalsContact O-N 3.16Å; D897-F900 PolarHBondContact O-N 3.08Å; D897-I927 HydrophobicContact CB-CG2 4.29Å; D897-F928 PolarHBondContact N-O 3.04Å; D897-S930 WeakPolarHBondContact OD1-CB 3.17Å; D897-S930 PolarHBondContact OD1-N 3.17Å; D897-S930 PolarHBondContact OD1-OG 2.9Å |
| 898 | T | 81.6 | Confident | 82.2 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 37% | 0.368 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -53.6 | -28.7 | 174.8 | 46.2 | 0 | 0 | 0 | 0 | 115.4 | T896 R901 S930 | T896-T898 PolarHBondContact O-N 2.69Å; T896-T898 VanDerWaalsContact O-N 3.09Å; T896-T898 PolarHBondContact OG1-OG1 3.48Å; T898-R901 WeakPolarHBondContact O-CB 3.39Å; T898-R901 PolarHBondContact O-N 3.48Å; T898-S930 WeakPolarHBondContact CG2-OG 3.27Å |
| 899 | L | 82.7 | Confident | 81.7 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -75.2 | -35 | -175.1 | -67.1 | 176.7 | 0 | 0 | 0 | 112.4 | I895 T896 D897 R901 S902 Y911 G943 V944 | I895-L899 HydrophobicContact CD1-CD1 4.41Å; I895-L899 HydrophobicContact CG1-CD1 4.13Å; T896-L899 PolarHBondContact O-N 2.86Å; T896-L899 VanDerWaalsContact O-N 3.1Å; D897-L899 PolarHBondContact O-N 3.03Å; D897-L899 VanDerWaalsContact O-N 3.16Å; L899-R901 PolarHBondContact O-N 3.22Å; L899-S902 PolarHBondContact O-N 3.41Å; L899-S902 PolarHBondContact O-OG 3.42Å; L899-Y911 HydrophobicContact CB-CD2 3.95Å; L899-Y911 HydrophobicContact CB-CE2 3.97Å; L899-Y911 HydrophobicContact CB-CG 4.26Å; L899-Y911 HydrophobicContact CD1-CD1 4.31Å; L899-Y911 HydrophobicContact CD1-CE1 3.87Å; L899-Y911 HydrophobicContact CD2-CE2 4.06Å; L899-Y911 HydrophobicContact CG-CE2 4.41Å; L899-G943 WeakPolarHBondContact CD1-O 3.4Å; L899-V944 HydrophobicContact CD1-CG2 3.3Å |
| 900 | F | 79.4 | Confident | 81.6 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -70.9 | -10.3 | 172.6 | -50.1 | -73.1 | 0 | 0 | 0 | 113.1 | Q616 V702 I895 D897 V912 V915 I927 | Q616-F900 PolarHBondContact NE2-O 3.49Å; V702-F900 HydrophobicContact CG1-CD1 4.23Å; V702-F900 HydrophobicContact CG1-CD2 4.11Å; V702-F900 HydrophobicContact CG1-CE1 4.46Å; V702-F900 HydrophobicContact CG1-CE2 4.35Å; V702-F900 HydrophobicContact CG1-CG 4.04Å; V702-F900 HydrophobicContact CG2-CD1 4.13Å; V702-F900 HydrophobicContact CG2-CE1 3.91Å; V702-F900 HydrophobicContact CG2-CZ 4.35Å; I895-F900 HydrophobicContact CD1-CE1 4.15Å; I895-F900 HydrophobicContact CD1-CE2 4.17Å; I895-F900 HydrophobicContact CD1-CZ 3.57Å; I895-F900 HydrophobicContact CG1-CE2 3.96Å; I895-F900 HydrophobicContact CG1-CZ 3.85Å; I895-F900 HydrophobicContact CG2-CE2 4.08Å; I895-F900 HydrophobicContact CG2-CZ 3.93Å; D897-F900 PolarHBondContact O-N 3.08Å; F900-V912 HydrophobicContact CD1-CG2 4.21Å; F900-V915 HydrophobicContact CE1-CG2 4.17Å; F900-V915 HydrophobicContact CZ-CG2 3.96Å; F900-I927 HydrophobicContact CE2-CG1 4.43Å; F900-I927 HydrophobicContact CE2-CG2 4.05Å |
| 901 | R | 75.1 | Confident | 81.4 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -89 | 3.5 | 176 | -53.8 | -174.8 | 68 | 103.8 | 17.7 | 114.4 | Y612 N613 I615 T898 L899 T903 | Y612-R901 VanDerWaalsContact C-NH1 3.29Å; Y612-R901 VanDerWaalsContact CD1-NH1 3.25Å; Y612-R901 PolarHBondContact O-NH1 3.03Å; Y612-R901 PolarHBondContact O-NH2 2.85Å; N613-R901 VanDerWaalsContact CA-NH1 3.35Å; N613-R901 PolarHBondContact OD1-NH1 3.44Å; I615-R901 PolarHBondContact O-NH2 3.23Å; T898-R901 WeakPolarHBondContact O-CB 3.39Å; T898-R901 PolarHBondContact O-N 3.48Å; L899-R901 PolarHBondContact O-N 3.22Å; R901-T903 PolarHBondContact O-N 3.06Å |
| 902 | S | 68.5 | Low | 81.1 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | trans | -65 | 132.7 | 178.4 | 45.6 | 0 | 0 | 0 | 0 | 111.3 | L899 D904 R908 | L899-S902 PolarHBondContact O-N 3.41Å; L899-S902 PolarHBondContact O-OG 3.42Å; S902-D904 PolarHBondContact O-N 2.77Å; S902-R908 PolarHBondContact OG-N 2.93Å | ||
| 903 | T | 64.4 | Low | 80.7 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 49% | 0.485 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -77.6 | -10.8 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | E617 R901 | E617-T903 HydrophobicContact CB-CG2 4.01Å; E617-T903 HydrophobicContact CG-CG2 4.34Å; R901-T903 PolarHBondContact O-N 3.06Å |
| 904 | D | 70.4 | Confident | 80.6 | Confident | 82 Ų | 82 | 46.5 Ų | 46.5 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | trans | -81.4 | 114.8 | 164.4 | 170.1 | 21.4 | 0 | 0 | 0 | 109.8 | S902 A906 K907 R908 | S902-D904 PolarHBondContact O-N 2.77Å; D904-A906 VanDerWaalsContact C-N 3.31Å; D904-A906 PolarHBondContact O-N 3.07Å; D904-A906 WeakPolarHBondContact OD1-CB 3.41Å; D904-A906 PolarHBondContact OD1-N 3.19Å; D904-K907 HydrophobicContact CB-CB 4.09Å; D904-K907 WeakPolarHBondContact OD2-CB 3.38Å; D904-K907 PolarHBondContact OD2-N 3.02Å; D904-R908 WeakPolarHBondContact O-CB 3.3Å; D904-R908 PolarHBondContact O-N 2.68Å | ||
| 905 | F | 70.4 | Confident | 80.3 | Confident | 120 Ų | 120 | 46.5 Ų | 46.5 | 53% | 0.526 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -32.8 | 178.7 | -175.6 | -94.3 | 0 | 0 | 0 | 112.7 | C698 R909 | C698-F905 HydrophobicContact CB-CE2 4.43Å; F905-R909 WeakPolarHBondContact O-CB 3.46Å; F905-R909 PolarHBondContact O-N 2.68Å |
| 906 | A | 74.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 50 Ų | 50 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.4 | -49.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D904 R909 R910 | D904-A906 VanDerWaalsContact C-N 3.31Å; D904-A906 PolarHBondContact O-N 3.07Å; D904-A906 WeakPolarHBondContact OD1-CB 3.41Å; D904-A906 PolarHBondContact OD1-N 3.19Å; A906-R909 PolarHBondContact O-N 3.25Å; A906-R910 WeakPolarHBondContact O-CB 3.31Å; A906-R910 PolarHBondContact O-N 3.25Å |
| 907 | K | 78.8 | Confident | 80.2 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 173 | 179 | 173.2 | -176.3 | 175.9 | 0 | 113 | D904 R910 Y911 | D904-K907 HydrophobicContact CB-CB 4.09Å; D904-K907 WeakPolarHBondContact OD2-CB 3.38Å; D904-K907 PolarHBondContact OD2-N 3.02Å; K907-R910 PolarHBondContact O-N 3Å; K907-Y911 HydrophobicContact CD-CE2 4.39Å; K907-Y911 HydrophobicContact CG-CD2 4.23Å; K907-Y911 HydrophobicContact CG-CE2 3.66Å; K907-Y911 WeakPolarHBondContact O-CD2 3.36Å; K907-Y911 PolarHBondContact O-N 3.3Å |
| 908 | R | 77.8 | Confident | 80.5 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -52.6 | 174.1 | -178.9 | -173.6 | 173.2 | 137.1 | 16.1 | 110.3 | D700 H703 S902 D904 R910 Y911 V912 | D700-R908 IonicContact OD1-NH2 3.69Å; D700-R908 PolarHBondContact OD1-NH2 2.89Å; D700-R908 IonicContact OD2-CZ 2.61Å; D700-R908 IonicContact OD2-NE 3.43Å; D700-R908 PolarHBondContact OD2-NE 3.16Å; D700-R908 IonicContact OD2-NH2 2.71Å; D700-R908 PolarHBondContact OD2-NH2 2.83Å; H703-R908 PolarHBondContact CE1-NH1 3.47Å; H703-R908 PolarHBondContact CE1-NH2 3.25Å; H703-R908 PolarHBondContact ND1-NH2 3.01Å; H703-R908 PolarHBondContact NE2-NH1 3.43Å; H703-R908 PolarHBondContact NE2-NH2 3.33Å; S902-R908 PolarHBondContact OG-N 2.93Å; D904-R908 WeakPolarHBondContact O-CB 3.3Å; D904-R908 PolarHBondContact O-N 2.68Å; R908-R910 VanDerWaalsContact C-N 3.32Å; R908-R910 PolarHBondContact O-N 3.41Å; R908-Y911 PolarHBondContact O-N 3.47Å; R908-Y911 VanDerWaalsContact O-N 3.1Å; R908-V912 HydrophobicContact CG-CG2 4.41Å; R908-V912 WeakPolarHBondContact O-CG2 3.27Å; R908-V912 PolarHBondContact O-N 3.36Å; R908-V912 VanDerWaalsContact O-N 3.16Å |
| 909 | R | 80.4 | Confident | 80.8 | Confident | 140 Ų | 140 | 51.9 Ų | 51.9 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | -177.7 | -177.2 | 171.8 | -176.5 | 156.1 | 8.2 | 111.8 | F905 A906 Y911 V912 D913 | F905-R909 WeakPolarHBondContact O-CB 3.46Å; F905-R909 PolarHBondContact O-N 2.68Å; A906-R909 PolarHBondContact O-N 3.25Å; R909-Y911 VanDerWaalsContact C-N 3.27Å; R909-Y911 PolarHBondContact O-N 2.83Å; R909-V912 CarbonylContact O-C 3.33Å; R909-V912 WeakPolarHBondContact O-CA 3.5Å; R909-V912 WeakPolarHBondContact O-CB 3.24Å; R909-V912 PolarHBondContact O-N 3.15Å; R909-D913 WeakPolarHBondContact CG-OD1 3.44Å; R909-D913 WeakPolarHBondContact CG-OD2 3.29Å; R909-D913 IonicContact NE-OD1 3.54Å; R909-D913 IonicContact NE-OD2 3.74Å; R909-D913 WeakPolarHBondContact O-CB 3.44Å; R909-D913 VanDerWaalsContact O-CG 3.24Å; R909-D913 PolarHBondContact O-N 2.81Å |
| 910 | R | 85.7 | Confident | 81 | Confident | 130 Ų | 130 | 58.7 Ų | 58.7 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.5 | -39.5 | 174.6 | -172.5 | 172.2 | 179.4 | 148.2 | 6.9 | 113.5 | E882 A906 K907 R908 L914 | E882-R910 WeakPolarHBondContact OE1-CD 3.39Å; E882-R910 WeakPolarHBondContact OE1-CG 3.22Å; E882-R910 IonicContact OE1-CZ 3.5Å; E882-R910 IonicContact OE1-NE 3.57Å; E882-R910 PolarHBondContact OE1-NE 2.91Å; E882-R910 IonicContact OE1-NH2 3.3Å; E882-R910 PolarHBondContact OE1-NH2 3.17Å; E882-R910 IonicContact OE2-CZ 2.74Å; E882-R910 IonicContact OE2-NE 3.53Å; E882-R910 PolarHBondContact OE2-NE 3.4Å; E882-R910 IonicContact OE2-NH2 3.98Å; E882-R910 PolarHBondContact OE2-NH2 2.99Å; A906-R910 WeakPolarHBondContact O-CB 3.31Å; A906-R910 PolarHBondContact O-N 3.25Å; K907-R910 PolarHBondContact O-N 3Å; R908-R910 VanDerWaalsContact C-N 3.32Å; R908-R910 PolarHBondContact O-N 3.41Å; R910-L914 WeakPolarHBondContact O-CB 3.47Å; R910-L914 PolarHBondContact O-N 2.95Å |
| 911 | Y | 87.5 | Confident | 81.4 | Confident | 17 Ų | 17 | 60 Ų | 60 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.3 | -26 | 174.3 | -65.8 | -64.9 | 0 | 0 | 0 | 114.1 | I878 I895 L899 K907 R908 R909 V915 V944 | I878-Y911 HydrophobicContact CB-CE1 4.38Å; I878-Y911 HydrophobicContact CD1-CD1 3.93Å; I878-Y911 HydrophobicContact CD1-CE1 3.63Å; I878-Y911 HydrophobicContact CG1-CE1 4Å; I895-Y911 HydrophobicContact CD1-CD1 4.07Å; I895-Y911 HydrophobicContact CD1-CG 4.47Å; L899-Y911 HydrophobicContact CB-CD2 3.95Å; L899-Y911 HydrophobicContact CB-CE2 3.97Å; L899-Y911 HydrophobicContact CB-CG 4.26Å; L899-Y911 HydrophobicContact CD1-CD1 4.31Å; L899-Y911 HydrophobicContact CD1-CE1 3.87Å; L899-Y911 HydrophobicContact CD2-CE2 4.06Å; L899-Y911 HydrophobicContact CG-CE2 4.41Å; K907-Y911 HydrophobicContact CD-CE2 4.39Å; K907-Y911 HydrophobicContact CG-CD2 4.23Å; K907-Y911 HydrophobicContact CG-CE2 3.66Å; K907-Y911 WeakPolarHBondContact O-CD2 3.36Å; K907-Y911 PolarHBondContact O-N 3.3Å; R908-Y911 PolarHBondContact O-N 3.47Å; R908-Y911 VanDerWaalsContact O-N 3.1Å; R909-Y911 VanDerWaalsContact C-N 3.27Å; R909-Y911 PolarHBondContact O-N 2.83Å; Y911-V915 WeakPolarHBondContact O-CG2 3.23Å; Y911-V915 PolarHBondContact O-N 3.5Å; Y911-V944 HydrophobicContact CD1-CG2 4.01Å; Y911-V944 HydrophobicContact CE1-CG2 3.63Å |
| 912 | V | 85 | Confident | 82 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.5 | -50.9 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | D700 F900 R908 R909 L914 V915 E916 | D700-V912 HydrophobicContact CB-CG1 4.01Å; D700-V912 HydrophobicContact CB-CG2 4.37Å; D700-V912 VanDerWaalsContact OD2-CG2 3.26Å; D700-V912 WeakPolarHBondContact OD2-CG2 3.4Å; F900-V912 HydrophobicContact CD1-CG2 4.21Å; R908-V912 HydrophobicContact CG-CG2 4.41Å; R908-V912 WeakPolarHBondContact O-CG2 3.27Å; R908-V912 PolarHBondContact O-N 3.36Å; R908-V912 VanDerWaalsContact O-N 3.16Å; R909-V912 CarbonylContact O-C 3.33Å; R909-V912 WeakPolarHBondContact O-CA 3.5Å; R909-V912 WeakPolarHBondContact O-CB 3.24Å; R909-V912 PolarHBondContact O-N 3.15Å; V912-L914 PolarHBondContact O-N 3.16Å; V912-V915 WeakPolarHBondContact O-CA 3.38Å; V912-V915 WeakPolarHBondContact O-CB 3.32Å; V912-V915 PolarHBondContact O-N 3.31Å; V912-E916 HydrophobicContact CG1-CG 4.48Å; V912-E916 PolarHBondContact O-N 3.02Å |
| 913 | D | 85.5 | Confident | 82.9 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.1 | -37.4 | 176.9 | -61 | -4.6 | 0 | 0 | 0 | 110.5 | R909 S917 | R909-D913 WeakPolarHBondContact CG-OD1 3.44Å; R909-D913 WeakPolarHBondContact CG-OD2 3.29Å; R909-D913 IonicContact NE-OD1 3.54Å; R909-D913 IonicContact NE-OD2 3.74Å; R909-D913 WeakPolarHBondContact O-CB 3.44Å; R909-D913 VanDerWaalsContact O-CG 3.24Å; R909-D913 PolarHBondContact O-N 2.81Å; D913-S917 VanDerWaalsContact O-CB 3.27Å; D913-S917 WeakPolarHBondContact O-CB 3.4Å; D913-S917 PolarHBondContact O-N 3.27Å |
| 914 | L | 89.6 | Confident | 84.1 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 172.5 | 179 | 64.1 | 0 | 0 | 0 | 113.6 | I878 V881 E882 A885 L893 R910 V912 A918 V944 | I878-L914 HydrophobicContact CD1-CD2 3.74Å; V881-L914 HydrophobicContact CG1-CD1 4.37Å; V881-L914 HydrophobicContact CG1-CD2 4.08Å; E882-L914 HydrophobicContact CG-CD1 4.34Å; A885-L914 HydrophobicContact CB-CD1 3.67Å; L893-L914 HydrophobicContact CD2-CG 4.47Å; R910-L914 WeakPolarHBondContact O-CB 3.47Å; R910-L914 PolarHBondContact O-N 2.95Å; V912-L914 PolarHBondContact O-N 3.16Å; L914-A918 WeakPolarHBondContact O-CB 3.49Å; L914-A918 PolarHBondContact O-N 3.17Å; L914-V944 HydrophobicContact CD2-CG1 4.44Å |
| 915 | V | 88.5 | Confident | 85 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.5 | -37.6 | 176.8 | 162.4 | 0 | 0 | 0 | 0 | 111.6 | L893 I895 F900 Y911 V912 K919 V925 | L893-V915 HydrophobicContact CD2-CG2 3.97Å; I895-V915 HydrophobicContact CD1-CG2 4.44Å; I895-V915 HydrophobicContact CG2-CG2 4.45Å; F900-V915 HydrophobicContact CE1-CG2 4.17Å; F900-V915 HydrophobicContact CZ-CG2 3.96Å; Y911-V915 WeakPolarHBondContact O-CG2 3.23Å; Y911-V915 PolarHBondContact O-N 3.5Å; V912-V915 WeakPolarHBondContact O-CA 3.38Å; V912-V915 WeakPolarHBondContact O-CB 3.32Å; V912-V915 PolarHBondContact O-N 3.31Å; V915-K919 HydrophobicContact CG1-CD 4.19Å; V915-K919 WeakPolarHBondContact O-CB 3.37Å; V915-K919 VanDerWaalsContact O-CG 3.3Å; V915-K919 WeakPolarHBondContact O-CG 3.33Å; V915-K919 PolarHBondContact O-N 2.93Å; V915-K919 VanDerWaalsContact O-N 3.09Å; V915-V925 HydrophobicContact CG1-CG1 4.22Å; V915-V925 HydrophobicContact CG2-CG1 4.22Å |
| 916 | E | 87.9 | Confident | 85.8 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.9 | -48.9 | 174.9 | -69.6 | -179 | -177.1 | 0 | 0 | 110.3 | V701 V912 A918 K919 E920 | V701-E916 VanDerWaalsContact CG2-OE1 3.23Å; V701-E916 WeakPolarHBondContact CG2-OE1 3.35Å; V912-E916 HydrophobicContact CG1-CG 4.48Å; V912-E916 PolarHBondContact O-N 3.02Å; E916-A918 PolarHBondContact O-N 3.19Å; E916-K919 PolarHBondContact O-N 3.21Å; E916-K919 VanDerWaalsContact O-N 3.1Å; E916-E920 PolarHBondContact O-N 3.18Å |
| 917 | S | 88.1 | Confident | 86.3 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.7 | -48.7 | 173.8 | -179 | 0 | 0 | 0 | 0 | 112.7 | D913 K919 E920 Q921 | D913-S917 VanDerWaalsContact O-CB 3.27Å; D913-S917 WeakPolarHBondContact O-CB 3.4Å; D913-S917 PolarHBondContact O-N 3.27Å; S917-K919 VanDerWaalsContact C-N 3.3Å; S917-K919 PolarHBondContact O-N 3.04Å; S917-E920 PolarHBondContact O-N 3.32Å; S917-Q921 WeakPolarHBondContact O-CB 3.36Å; S917-Q921 VanDerWaalsContact O-CG 3.28Å; S917-Q921 WeakPolarHBondContact O-CG 3.22Å; S917-Q921 PolarHBondContact O-N 3.15Å; S917-Q921 PolarHBondContact OG-NE2 2.96Å |
| 918 | A | 88.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -34.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L893 L914 E916 N922 A923 V925 | L893-A918 HydrophobicContact CB-CB 4.42Å; L893-A918 HydrophobicContact CD2-CB 3.75Å; L914-A918 WeakPolarHBondContact O-CB 3.49Å; L914-A918 PolarHBondContact O-N 3.17Å; E916-A918 PolarHBondContact O-N 3.19Å; A918-N922 PolarHBondContact O-N 2.71Å; A918-A923 HydrophobicContact CB-CB 4.33Å; A918-A923 VanDerWaalsContact O-CB 3.28Å; A918-A923 WeakPolarHBondContact O-CB 3.22Å; A918-A923 PolarHBondContact O-N 2.68Å; A918-V925 HydrophobicContact CB-CG2 4.09Å |
| 919 | K | 87.4 | Confident | 86.5 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.5 | -41.3 | 175.1 | -75.6 | 172.7 | -179.4 | 176.3 | 0 | 112.2 | E705 V915 E916 S917 Q921 N922 V925 | E705-K919 IonicContact OE1-NZ 2.67Å; E705-K919 PolarHBondContact OE1-NZ 3.05Å; E705-K919 IonicContact OE2-NZ 3.35Å; E705-K919 PolarHBondContact OE2-NZ 3.36Å; V915-K919 HydrophobicContact CG1-CD 4.19Å; V915-K919 WeakPolarHBondContact O-CB 3.37Å; V915-K919 VanDerWaalsContact O-CG 3.3Å; V915-K919 WeakPolarHBondContact O-CG 3.33Å; V915-K919 PolarHBondContact O-N 2.93Å; V915-K919 VanDerWaalsContact O-N 3.09Å; E916-K919 PolarHBondContact O-N 3.21Å; E916-K919 VanDerWaalsContact O-N 3.1Å; S917-K919 VanDerWaalsContact C-N 3.3Å; S917-K919 PolarHBondContact O-N 3.04Å; K919-Q921 PolarHBondContact O-N 2.86Å; K919-N922 PolarHBondContact O-N 3.4Å; K919-V925 HydrophobicContact CG-CG2 3.87Å |
| 920 | E | 88.5 | Confident | 86.3 | Confident | 164 Ų | 164 | 46.2 Ų | 46.2 | 77% | 0.766 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61 | -36.2 | 173.6 | -69 | -170.4 | 158.7 | 0 | 0 | 111.5 | E916 S917 N922 | E916-E920 PolarHBondContact O-N 3.18Å; S917-E920 PolarHBondContact O-N 3.32Å; E920-N922 PolarHBondContact O-N 3.49Å; E920-N922 PolarHBondContact O-ND2 3.28Å; E920-N922 VanDerWaalsContact O-ND2 3.07Å |
| 921 | Q | 87.5 | Confident | 85.6 | Confident | 35 Ų | 35 | 43 Ų | 43 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 6.1 | 172.8 | -66.4 | 173 | 11.9 | 0 | 0 | 114.5 | A885 E888 S917 K919 A923 R949 | A885-Q921 PolarHBondContact O-NE2 3.47Å; A885-Q921 PolarHBondContact O-OE1 3.5Å; E888-Q921 HydrophobicContact CG-CG 4.3Å; S917-Q921 WeakPolarHBondContact O-CB 3.36Å; S917-Q921 VanDerWaalsContact O-CG 3.28Å; S917-Q921 WeakPolarHBondContact O-CG 3.22Å; S917-Q921 PolarHBondContact O-N 3.15Å; S917-Q921 PolarHBondContact OG-NE2 2.96Å; K919-Q921 PolarHBondContact O-N 2.86Å; Q921-A923 VanDerWaalsContact C-N 3.32Å; Q921-A923 PolarHBondContact O-N 3.1Å; Q921-R949 PolarHBondContact O-NH2 2.79Å |
| 922 | N | 87.7 | Confident | 84.9 | Confident | 139 Ų | 139 | 42.4 Ų | 42.4 | 74% | 0.743 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 40.9 | -178.7 | -61.7 | -102.1 | 0 | 0 | 0 | 113.3 | A918 K919 E920 R949 | A918-N922 PolarHBondContact O-N 2.71Å; K919-N922 PolarHBondContact O-N 3.4Å; E920-N922 PolarHBondContact O-N 3.49Å; E920-N922 PolarHBondContact O-ND2 3.28Å; E920-N922 VanDerWaalsContact O-ND2 3.07Å; N922-R949 PolarHBondContact O-NH2 3.33Å |
| 923 | A | 86.2 | Confident | 84.1 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | trans | -89 | 150.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I890 E891 A918 Q921 V925 | I890-A923 HydrophobicContact CB-CB 4.34Å; I890-A923 HydrophobicContact CG2-CB 3.85Å; E891-A923 WeakPolarHBondContact O-CA 3.36Å; A918-A923 HydrophobicContact CB-CB 4.33Å; A918-A923 VanDerWaalsContact O-CB 3.28Å; A918-A923 WeakPolarHBondContact O-CB 3.22Å; A918-A923 PolarHBondContact O-N 2.68Å; Q921-A923 VanDerWaalsContact C-N 3.32Å; Q921-A923 PolarHBondContact O-N 3.1Å; A923-V925 PolarHBondContact O-N 3.43Å | ||
| 924 | D | 89.1 | Confident | 83.7 | Confident | 78 Ų | 78 | 39.4 Ų | 39.4 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 109.2 | 175 | 179.5 | 15.4 | 0 | 0 | 0 | 109.8 | E891 T892 L893 K926 | E891-D924 PolarHBondContact O-N 3.32Å; T892-D924 CarbonylContact C-O 3.58Å; T892-D924 VanDerWaalsContact CA-O 3.22Å; T892-D924 WeakPolarHBondContact CA-O 3.33Å; T892-D924 HydrophobicContact CG2-CB 4.14Å; T892-D924 VanDerWaalsContact CG2-O 3.24Å; T892-D924 WeakPolarHBondContact CG2-O 3.38Å; L893-D924 PolarHBondContact N-O 3.37Å; D924-K926 WeakPolarHBondContact OD1-CE 3.49Å; D924-K926 WeakPolarHBondContact OD2-CE 3.08Å; D924-K926 IonicContact OD2-NZ 2.71Å; D924-K926 PolarHBondContact OD2-NZ 2.93Å |
| 925 | V | 89.7 | Confident | 83.3 | Confident | 31 Ų | 31 | 39 Ų | 39 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.4 | -176.2 | -175 | 0 | 0 | 0 | 0 | 111.2 | L893 V915 A918 K919 A923 | L893-V925 HydrophobicContact CB-CG1 4.33Å; L893-V925 HydrophobicContact CB-CG2 4.15Å; L893-V925 HydrophobicContact CD2-CG1 4.08Å; L893-V925 HydrophobicContact CD2-CG2 4.3Å; L893-V925 HydrophobicContact CG-CG1 4.36Å; V915-V925 HydrophobicContact CG1-CG1 4.22Å; V915-V925 HydrophobicContact CG2-CG1 4.22Å; A918-V925 HydrophobicContact CB-CG2 4.09Å; K919-V925 HydrophobicContact CG-CG2 3.87Å; A923-V925 PolarHBondContact O-N 3.43Å |
| 926 | K | 87.1 | Confident | 82.8 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 19% | 0.191 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.7 | -179.6 | -54.4 | -163 | -170.9 | -166.5 | 0 | 111.4 | G855 A859 L893 L894 I895 D924 F928 | G855-K926 PolarHBondContact O-NZ 3.15Å; G855-K926 VanDerWaalsContact O-NZ 3.14Å; A859-K926 HydrophobicContact CB-CD 3.87Å; L893-K926 PolarHBondContact O-N 3.27Å; L894-K926 HydrophobicContact CD2-CB 4.42Å; I895-K926 PolarHBondContact N-O 3.06Å; D924-K926 WeakPolarHBondContact OD1-CE 3.49Å; D924-K926 WeakPolarHBondContact OD2-CE 3.08Å; D924-K926 IonicContact OD2-NZ 2.71Å; D924-K926 PolarHBondContact OD2-NZ 2.93Å; K926-F928 HydrophobicContact CB-CD2 4.28Å; K926-F928 HydrophobicContact CB-CE2 3.77Å; K926-F928 WeakPolarHBondContact O-CD2 3.46Å |
| 927 | I | 86.6 | Confident | 82.5 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 98.9 | 178.4 | -56.3 | 170.6 | 0 | 0 | 0 | 109.2 | V702 I895 D897 F900 | V702-I927 HydrophobicContact CG1-CD1 4.17Å; I895-I927 HydrophobicContact CG2-CG1 3.92Å; I895-I927 CarbonylContact O-C 3.58Å; I895-I927 VanDerWaalsContact O-CA 3.29Å; I895-I927 WeakPolarHBondContact O-CA 3.43Å; D897-I927 HydrophobicContact CB-CG2 4.29Å; F900-I927 HydrophobicContact CE2-CG1 4.43Å; F900-I927 HydrophobicContact CE2-CG2 4.05Å |
| 928 | F | 83.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.4 | -178.4 | -70.8 | -108.4 | 0 | 0 | 0 | 111.3 | E856 L860 L894 I895 T896 D897 K926 L938 | E856-F928 HydrophobicContact CB-CD1 4.06Å; E856-F928 HydrophobicContact CB-CE1 3.59Å; E856-F928 HydrophobicContact CB-CZ 4.02Å; E856-F928 HydrophobicContact CG-CD1 4.16Å; E856-F928 HydrophobicContact CG-CE1 3.99Å; E856-F928 HydrophobicContact CG-CZ 4.18Å; E856-F928 WeakPolarHBondContact O-CE1 3.25Å; E856-F928 WeakPolarHBondContact O-CZ 3.36Å; E856-F928 WeakPolarHBondContact OE2-CD1 3.23Å; L860-F928 HydrophobicContact CB-CE1 4.1Å; L860-F928 HydrophobicContact CB-CZ 4.21Å; L860-F928 HydrophobicContact CD2-CE1 4.39Å; L894-F928 HydrophobicContact CB-CD2 4.49Å; L894-F928 HydrophobicContact CB-CE2 3.83Å; L894-F928 HydrophobicContact CD2-CE2 3.68Å; L894-F928 HydrophobicContact CD2-CZ 3.98Å; L894-F928 HydrophobicContact CG-CE2 4.3Å; I895-F928 PolarHBondContact O-N 3.32Å; T896-F928 WeakPolarHBondContact CA-O 3.42Å; T896-F928 HydrophobicContact CG2-CB 4.43Å; D897-F928 PolarHBondContact N-O 3.04Å; K926-F928 HydrophobicContact CB-CD2 4.28Å; K926-F928 HydrophobicContact CB-CE2 3.77Å; K926-F928 WeakPolarHBondContact O-CD2 3.46Å; F928-L938 HydrophobicContact CB-CD2 4.18Å; F928-L938 HydrophobicContact CD2-CD2 3.49Å; F928-L938 VanDerWaalsContact CD2-CD2 3.49Å; F928-L938 HydrophobicContact CE2-CD2 3.97Å; F928-L938 HydrophobicContact CG-CD2 3.83Å |
| 929 | S | 76.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -72.7 | 124.1 | 170.2 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | W609 S737 L931 H932 G935 | W609-S929 WeakPolarHBondContact CZ2-OG 3.45Å; S737-S929 WeakPolarHBondContact O-CB 3.21Å; S737-S929 PolarHBondContact O-OG 3.02Å; S929-L931 PolarHBondContact O-N 3.43Å; S929-L931 VanDerWaalsContact O-N 3.17Å; S929-L931 PolarHBondContact OG-N 2.67Å; S929-H932 PolarHBondContact O-N 2.92Å; S929-G935 WeakPolarHBondContact O-CA 3.23Å | ||
| 930 | S | 76.2 | Confident | 82 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 19% | 0.189 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.1 | 172.2 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | D897 T898 | D897-S930 WeakPolarHBondContact OD1-CB 3.17Å; D897-S930 PolarHBondContact OD1-N 3.17Å; D897-S930 PolarHBondContact OD1-OG 2.9Å; T898-S930 WeakPolarHBondContact CG2-OG 3.27Å |
| 931 | L | 71.4 | Confident | 81.7 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 1.3 | 171.6 | -56.8 | -173.7 | 0 | 0 | 0 | 113.1 | F656 S929 | F656-L931 HydrophobicContact CD1-CD1 4.01Å; F656-L931 HydrophobicContact CE1-CD1 3.74Å; S929-L931 PolarHBondContact O-N 3.43Å; S929-L931 VanDerWaalsContact O-N 3.17Å; S929-L931 PolarHBondContact OG-N 2.67Å |
| 932 | H | 72.3 | Confident | 81.3 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -105.6 | 149.7 | 173.8 | -167.5 | -106.9 | 0 | 0 | 0 | 111.5 | S929 S934 G935 E936 | S929-H932 PolarHBondContact O-N 2.92Å; H932-S934 PolarHBondContact ND1-OG 3.31Å; H932-S934 PolarHBondContact O-N 2.91Å; H932-G935 PolarHBondContact O-N 3.34Å; H932-E936 PolarHBondContact O-N 3.17Å; H932-E936 VanDerWaalsContact O-N 3.13Å |
| 933 | G | 67.8 | Low | 81.2 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K836 Q937 | K836-G933 PolarHBondContact NZ-O 3.35Å; G933-Q937 PolarHBondContact O-OE1 3.35Å |
| 934 | S | 77.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -39.4 | 173.5 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | L860 H932 E936 Q937 L938 | L860-S934 WeakPolarHBondContact CD2-O 3.12Å; H932-S934 PolarHBondContact ND1-OG 3.31Å; H932-S934 PolarHBondContact O-N 2.91Å; S934-E936 VanDerWaalsContact C-N 3.34Å; S934-E936 PolarHBondContact O-N 2.96Å; S934-Q937 WeakPolarHBondContact O-CB 3.48Å; S934-Q937 PolarHBondContact O-N 2.97Å; S934-Q937 VanDerWaalsContact O-N 3.1Å; S934-L938 PolarHBondContact O-N 3.23Å |
| 935 | G | 80.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S929 H932 Q937 L938 A939 | S929-G935 WeakPolarHBondContact O-CA 3.23Å; H932-G935 PolarHBondContact O-N 3.34Å; G935-Q937 PolarHBondContact O-N 3.07Å; G935-L938 PolarHBondContact O-N 3.05Å; G935-A939 VanDerWaalsContact O-CB 3.22Å; G935-A939 WeakPolarHBondContact O-CB 3.34Å; G935-A939 PolarHBondContact O-N 3.03Å |
| 936 | E | 79 | Confident | 81.8 | Confident | 96 Ų | 96 | 29 Ų | 29 | 45% | 0.449 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.6 | -33.6 | 168.9 | -68.4 | 178.4 | 152.4 | 0 | 0 | 113.2 | K836 H932 S934 Q940 | K836-E936 IonicContact NZ-OE2 2.97Å; K836-E936 PolarHBondContact NZ-OE2 3.43Å; H932-E936 PolarHBondContact O-N 3.17Å; H932-E936 VanDerWaalsContact O-N 3.13Å; S934-E936 VanDerWaalsContact C-N 3.34Å; S934-E936 PolarHBondContact O-N 2.96Å; E936-Q940 PolarHBondContact O-NE2 3.22Å |
| 937 | Q | 82.3 | Confident | 82 | Confident | 77 Ų | 77 | 27 Ų | 27 | 36% | 0.36 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -80.1 | -45.7 | 179.4 | -72.7 | 169 | -56.4 | 0 | 0 | 110.9 | L860 G933 S934 G935 A939 Q940 | L860-Q937 HydrophobicContact CD2-CB 3.9Å; G933-Q937 PolarHBondContact O-OE1 3.35Å; S934-Q937 WeakPolarHBondContact O-CB 3.48Å; S934-Q937 PolarHBondContact O-N 2.97Å; S934-Q937 VanDerWaalsContact O-N 3.1Å; G935-Q937 PolarHBondContact O-N 3.07Å; Q937-A939 VanDerWaalsContact C-N 3.29Å; Q937-A939 PolarHBondContact O-N 2.84Å; Q937-Q940 WeakPolarHBondContact O-CB 3.37Å; Q937-Q940 PolarHBondContact O-N 3.01Å; Q937-Q940 VanDerWaalsContact O-N 3.1Å |
| 938 | L | 86.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -34.6 | 175.7 | -175.8 | 62.8 | 0 | 0 | 0 | 112.2 | L860 L894 T896 F928 S934 G935 Q940 L941 G943 A945 | L860-L938 HydrophobicContact CD1-CB 4.38Å; L860-L938 HydrophobicContact CD1-CD1 4.42Å; L894-L938 HydrophobicContact CB-CD1 4.09Å; L894-L938 HydrophobicContact CB-CD2 3.88Å; T896-L938 HydrophobicContact CG2-CB 3.82Å; T896-L938 HydrophobicContact CG2-CD2 3.77Å; T896-L938 HydrophobicContact CG2-CG 3.78Å; F928-L938 HydrophobicContact CB-CD2 4.18Å; F928-L938 HydrophobicContact CD2-CD2 3.49Å; F928-L938 VanDerWaalsContact CD2-CD2 3.49Å; F928-L938 HydrophobicContact CE2-CD2 3.97Å; F928-L938 HydrophobicContact CG-CD2 3.83Å; S934-L938 PolarHBondContact O-N 3.23Å; G935-L938 PolarHBondContact O-N 3.05Å; L938-Q940 VanDerWaalsContact C-N 3.28Å; L938-Q940 PolarHBondContact O-N 3Å; L938-L941 HydrophobicContact CD1-CD1 4.48Å; L938-L941 WeakPolarHBondContact O-CB 3.35Å; L938-L941 PolarHBondContact O-N 3.45Å; L938-L941 VanDerWaalsContact O-N 3.09Å; L938-G943 WeakPolarHBondContact O-CA 3.24Å; L938-G943 PolarHBondContact O-N 2.87Å; L938-A945 HydrophobicContact CD1-CB 3.74Å |
| 939 | A | 83.8 | Confident | 82.5 | Confident | 46 Ų | 46 | 30.7 Ų | 30.7 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.9 | -34.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T896 G935 Q937 L941 G942 | T896-A939 HydrophobicContact CG2-CB 4.34Å; G935-A939 VanDerWaalsContact O-CB 3.22Å; G935-A939 WeakPolarHBondContact O-CB 3.34Å; G935-A939 PolarHBondContact O-N 3.03Å; Q937-A939 VanDerWaalsContact C-N 3.29Å; Q937-A939 PolarHBondContact O-N 2.84Å; A939-L941 VanDerWaalsContact C-N 3.27Å; A939-L941 PolarHBondContact O-N 3.34Å; A939-G942 PolarHBondContact O-N 3.31Å |
| 940 | Q | 81.3 | Confident | 83.1 | Confident | 132 Ų | 132 | 35 Ų | 35 | 62% | 0.617 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -68.4 | -24.4 | 175.1 | -72.6 | 174.3 | 68.7 | 0 | 0 | 113 | E936 Q937 L938 G942 | E936-Q940 PolarHBondContact O-NE2 3.22Å; Q937-Q940 WeakPolarHBondContact O-CB 3.37Å; Q937-Q940 PolarHBondContact O-N 3.01Å; Q937-Q940 VanDerWaalsContact O-N 3.1Å; L938-Q940 VanDerWaalsContact C-N 3.28Å; L938-Q940 PolarHBondContact O-N 3Å; Q940-G942 PolarHBondContact O-N 2.69Å |
| 941 | L | 82 | Confident | 83.4 | Confident | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.199 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.5 | 170.7 | -59.3 | 175 | 0 | 0 | 0 | 113 | F863 F864 L938 A939 | F863-L941 HydrophobicContact CD1-CD1 4.14Å; F863-L941 HydrophobicContact CE1-CD1 3.61Å; F864-L941 HydrophobicContact CE1-CD1 3.95Å; F864-L941 HydrophobicContact CE1-CD2 4.42Å; F864-L941 HydrophobicContact CZ-CD1 3.97Å; L938-L941 HydrophobicContact CD1-CD1 4.48Å; L938-L941 WeakPolarHBondContact O-CB 3.35Å; L938-L941 PolarHBondContact O-N 3.45Å; L938-L941 VanDerWaalsContact O-N 3.09Å; A939-L941 VanDerWaalsContact C-N 3.27Å; A939-L941 PolarHBondContact O-N 3.34Å |
| 942 | G | 80.8 | Confident | 83.8 | Confident | 35 Ų | 35 | 36 Ų | 36 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | 7.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A939 Q940 V944 | A939-G942 PolarHBondContact O-N 3.31Å; Q940-G942 PolarHBondContact O-N 2.69Å; G942-V944 PolarHBondContact O-N 3.47Å |
| 943 | G | 85 | Confident | 83.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 84.7 | -5.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | I895 T896 L899 L938 | I895-G943 CarbonylContact C-O 3.54Å; I895-G943 WeakPolarHBondContact CA-O 3.37Å; T896-G943 PolarHBondContact N-O 3.02Å; T896-G943 VanDerWaalsContact OG1-CA 3.31Å; T896-G943 WeakPolarHBondContact OG1-CA 3.46Å; T896-G943 PolarHBondContact OG1-O 3.45Å; L899-G943 WeakPolarHBondContact CD1-O 3.4Å; L938-G943 WeakPolarHBondContact O-CA 3.24Å; L938-G943 PolarHBondContact O-N 2.87Å |
| 944 | V | 91.2 | Very high | 83.3 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.1 | 170.1 | -162 | 0 | 0 | 0 | 0 | 110.4 | G877 V881 L893 L894 I895 L899 Y911 L914 G942 | G877-V944 PolarHBondContact N-O 2.96Å; V881-V944 HydrophobicContact CB-CG1 4.21Å; V881-V944 HydrophobicContact CG1-CG1 3.91Å; V881-V944 HydrophobicContact CG2-CG1 4.11Å; L893-V944 HydrophobicContact CD1-CG1 3.84Å; L894-V944 CarbonylContact O-C 3.57Å; L894-V944 WeakPolarHBondContact O-CA 3.42Å; I895-V944 HydrophobicContact CD1-CG1 4.45Å; I895-V944 HydrophobicContact CD1-CG2 3.97Å; I895-V944 HydrophobicContact CG1-CG2 4.15Å; L899-V944 HydrophobicContact CD1-CG2 3.3Å; Y911-V944 HydrophobicContact CD1-CG2 4.01Å; Y911-V944 HydrophobicContact CE1-CG2 3.63Å; L914-V944 HydrophobicContact CD2-CG1 4.44Å; G942-V944 PolarHBondContact O-N 3.47Å |
| 945 | A | 92.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 159.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F863 F875 L894 L938 | F863-A945 HydrophobicContact CD2-CB 4.04Å; F863-A945 HydrophobicContact CE1-CB 4.23Å; F863-A945 HydrophobicContact CE2-CB 3.69Å; F863-A945 HydrophobicContact CG-CB 4.46Å; F863-A945 HydrophobicContact CZ-CB 3.81Å; F875-A945 CarbonylContact O-C 3.55Å; F875-A945 WeakPolarHBondContact O-CA 3.33Å; L894-A945 WeakPolarHBondContact CA-O 2.81Å; L894-A945 HydrophobicContact CB-CB 4.34Å; L894-A945 WeakPolarHBondContact CB-O 3.39Å; L894-A945 HydrophobicContact CD1-CB 4.28Å; L894-A945 PolarHBondContact N-O 2.99Å; L894-A945 PolarHBondContact O-N 3.21Å; L894-A945 VanDerWaalsContact O-O 3.12Å; L938-A945 HydrophobicContact CD1-CB 3.74Å |
| 946 | A | 93.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 134.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F875 V881 I890 T892 L948 | F875-A946 PolarHBondContact N-O 3.42Å; F875-A946 PolarHBondContact O-N 2.95Å; V881-A946 HydrophobicContact CG1-CB 3.98Å; V881-A946 HydrophobicContact CG2-CB 4.03Å; I890-A946 HydrophobicContact CD1-CB 4.38Å; I890-A946 HydrophobicContact CG1-CB 4.25Å; I890-A946 HydrophobicContact CG2-CB 4.22Å; T892-A946 WeakPolarHBondContact O-CA 3.41Å; A946-L948 HydrophobicContact CB-CD2 4.02Å |
| 947 | I | 92.5 | Very high | 79.3 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 132.4 | 164.2 | -64.8 | 169.8 | 0 | 0 | 0 | 107.2 | N862 F863 L866 R873 E891 T892 | N862-I947 HydrophobicContact CB-CD1 4.22Å; F863-I947 HydrophobicContact CB-CD1 4.14Å; F863-I947 HydrophobicContact CB-CG1 4.07Å; F863-I947 HydrophobicContact CD2-CG1 4.09Å; L866-I947 HydrophobicContact CD1-CB 4.43Å; L866-I947 HydrophobicContact CD1-CD1 4.42Å; L866-I947 HydrophobicContact CD1-CG1 4.19Å; L866-I947 HydrophobicContact CD1-CG2 3.52Å; R873-I947 WeakPolarHBondContact O-CA 3.31Å; E891-I947 WeakPolarHBondContact CA-O 3.41Å; E891-I947 HydrophobicContact CB-CG2 4.39Å; E891-I947 WeakPolarHBondContact CB-O 3.41Å; E891-I947 PolarHBondContact N-O 3.49Å; T892-I947 PolarHBondContact N-O 2.89Å; T892-I947 PolarHBondContact O-N 3.2Å |
| 948 | L | 91.6 | Very high | 77.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.6 | -174.3 | -49.5 | -173.1 | 0 | 0 | 0 | 113.3 | R873 F875 A884 A889 I890 A946 F950 M952 | R873-L948 HydrophobicContact CB-CB 4.37Å; R873-L948 PolarHBondContact NE-O 3.21Å; R873-L948 PolarHBondContact NH2-O 2.76Å; R873-L948 PolarHBondContact O-N 3.44Å; F875-L948 HydrophobicContact CB-CD1 4.46Å; F875-L948 HydrophobicContact CD1-CD1 4.02Å; F875-L948 HydrophobicContact CD2-CD1 4.05Å; F875-L948 HydrophobicContact CE1-CD1 4.29Å; F875-L948 HydrophobicContact CE2-CD1 4.34Å; F875-L948 HydrophobicContact CG-CD1 3.91Å; F875-L948 HydrophobicContact CZ-CD1 4.46Å; A884-L948 HydrophobicContact CB-CD1 4.41Å; A884-L948 HydrophobicContact CB-CD2 3.64Å; A889-L948 HydrophobicContact CB-CD1 4.45Å; A889-L948 HydrophobicContact CB-CD2 4.32Å; A889-L948 CarbonylContact O-C 3.56Å; A889-L948 WeakPolarHBondContact O-CA 3.5Å; A889-L948 WeakPolarHBondContact O-CB 3.37Å; I890-L948 HydrophobicContact CG1-CD2 4.29Å; A946-L948 HydrophobicContact CB-CD2 4.02Å; L948-F950 WeakPolarHBondContact CB-O 3.48Å; L948-F950 PolarHBondContact O-N 2.75Å; L948-M952 HydrophobicContact CD1-CB 4.34Å; L948-M952 HydrophobicContact CD1-CG 4.16Å |
| 949 | R | 89.4 | Confident | 74.7 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -61.8 | -29.7 | 176.2 | -59.5 | -179.9 | -172.3 | -74.6 | 5.3 | 112.3 | A889 I890 E891 Q921 N922 | A889-R949 PolarHBondContact O-N 3.01Å; I890-R949 VanDerWaalsContact O-CZ 3.24Å; I890-R949 PolarHBondContact O-NE 2.89Å; I890-R949 PolarHBondContact O-NH2 2.73Å; E891-R949 HydrophobicContact CB-CG 3.68Å; E891-R949 HydrophobicContact CG-CG 4.2Å; Q921-R949 PolarHBondContact O-NH2 2.79Å; N922-R949 PolarHBondContact O-NH2 3.33Å |
| 950 | F | 87.4 | Confident | 72.2 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -147.1 | 153.3 | 179.3 | 51.8 | -97.1 | 0 | 0 | 0 | 109.9 | A889 L948 M952 | A889-F950 HydrophobicContact CB-CD2 4.41Å; A889-F950 HydrophobicContact CB-CE1 4.1Å; A889-F950 HydrophobicContact CB-CE2 3.69Å; A889-F950 HydrophobicContact CB-CZ 3.51Å; L948-F950 WeakPolarHBondContact CB-O 3.48Å; L948-F950 PolarHBondContact O-N 2.75Å; F950-M952 HydrophobicContact CD2-CG 4.22Å; F950-M952 HydrophobicContact CE2-CG 4Å; F950-M952 HydrophobicContact CE2-SD 4.17Å |
| 951 | P | 83.3 | Confident | 69.8 | Low | 76 Ų | 76 | 66.9 Ų | 66.9 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | trans | -67.3 | 139 | 178.3 | 26.8 | -34 | 0 | 0 | 0 | 111.7 | Q872 R873 | Q872-P951 HydrophobicContact CB-CB 3.61Å; Q872-P951 WeakPolarHBondContact O-CA 3.37Å; R873-P951 HydrophobicContact CG-CB 3.98Å | ||
| 952 | M | 79.5 | Confident | 67.5 | Low | 35 Ų | 35 | 73.2 Ų | 73.2 | 17% | 0.172 | 38% | 0.382 | C | S | . | . | trans | -114.9 | 151.7 | 169.8 | -66.9 | -135 | -58.8 | 0 | 0 | 111 | Q872 F875 A884 A887 A889 L948 F950 | Q872-M952 WeakPolarHBondContact CB-O 3.14Å; Q872-M952 PolarHBondContact O-N 2.87Å; F875-M952 HydrophobicContact CD2-CE 4.49Å; F875-M952 HydrophobicContact CE1-CB 4.47Å; F875-M952 HydrophobicContact CE2-CB 4.13Å; F875-M952 HydrophobicContact CE2-CE 3.8Å; F875-M952 HydrophobicContact CZ-CB 3.72Å; F875-M952 HydrophobicContact CZ-CE 4.49Å; A884-M952 HydrophobicContact CB-CE 4.21Å; A887-M952 HydrophobicContact CB-CE 3.93Å; A887-M952 HydrophobicContact CB-SD 3.53Å; A887-M952 VanDerWaalsContact CB-SD 3.53Å; A889-M952 HydrophobicContact CB-CE 4.46Å; A889-M952 HydrophobicContact CB-CG 4.29Å; A889-M952 HydrophobicContact CB-SD 4.11Å; L948-M952 HydrophobicContact CD1-CB 4.34Å; L948-M952 HydrophobicContact CD1-CG 4.16Å; F950-M952 HydrophobicContact CD2-CG 4.22Å; F950-M952 HydrophobicContact CE2-CG 4Å; F950-M952 HydrophobicContact CE2-SD 4.17Å | ||
| 953 | A | 68.8 | Low | 65.1 | Low | 82 Ų | 82 | 76.1 Ų | 76.1 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 141.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I955 | A953-I955 PolarHBondContact O-N 3.33Š|
| 954 | E | 60.2 | Low | 62.6 | Low | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 134.4 | 172.1 | -62.4 | -176.2 | 102.7 | 0 | 0 | 110.1 | E956 K983 | E954-E956 PolarHBondContact O-N 2.86Å; E954-K983 VanDerWaalsContact CD-CE 3.43Å; E954-K983 WeakPolarHBondContact OE1-CD 3.49Å; E954-K983 WeakPolarHBondContact OE1-CE 3.34Å; E954-K983 IonicContact OE1-NZ 2.89Å; E954-K983 PolarHBondContact OE1-NZ 3.24Å; E954-K983 WeakPolarHBondContact OE2-CE 3.29Å; E954-K983 IonicContact OE2-NZ 2.69Å; E954-K983 PolarHBondContact OE2-NZ 3Å |
| 955 | I | 60.8 | Low | 59.8 | Low | 66 Ų | 66 | 91.9 Ų | 91.9 | 34% | 0.338 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 123.4 | 171.3 | -61.8 | 137.2 | 0 | 0 | 0 | 107.5 | L883 A953 | L883-I955 HydrophobicContact CB-CD1 4.49Å; L883-I955 HydrophobicContact CD1-CD1 3.43Å; L883-I955 VanDerWaalsContact CD1-CD1 3.43Å; L883-I955 HydrophobicContact CD1-CG1 4.1Å; A953-I955 PolarHBondContact O-N 3.33Å |
| 956 | E | 50.7 | Low | 57 | Low | 155 Ų | 155 | 96.5 Ų | 96.5 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 130.5 | 165.5 | -65.7 | -172.4 | -175.4 | 0 | 0 | 108.4 | E954 E958 | E954-E956 PolarHBondContact O-N 2.86Å; E956-E958 VanDerWaalsContact C-N 3.33Å; E956-E958 PolarHBondContact O-N 2.87Å |
| 957 | D | 43 | Very low | 54.3 | Low | 37 Ų | 37 | 101.5 Ų | 101.5 | 20% | 0.198 | 55% | 0.546 | C | S | . | . | trans | -68.6 | 90 | -179.9 | -57.1 | -84.9 | 0 | 0 | 0 | 111.5 | D959 L979 K980 | D957-D959 VanDerWaalsContact C-N 3.28Å; D957-D959 PolarHBondContact O-N 3.42Å; D957-L979 WeakPolarHBondContact OD1-CD2 3.47Å; D957-L979 WeakPolarHBondContact OD2-CB 3.31Å; D957-K980 PolarHBondContact O-NZ 3.37Å | ||
| 958 | E | 35.8 | Very low | 51.3 | Low | 172 Ų | 172 | 108.4 Ų | 108.4 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | trans | -79 | 75.1 | 157.6 | -64.1 | -162.3 | 133.6 | 0 | 0 | 108.9 | E956 Q960 | E956-E958 VanDerWaalsContact C-N 3.33Å; E956-E958 PolarHBondContact O-N 2.87Å; E958-Q960 PolarHBondContact O-N 3.23Å | ||
| 959 | D | 35.6 | Very low | 48.4 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 41% | 0.412 | 62% | 0.622 | S | S | . | * | trans | -72.2 | 60.8 | 165.3 | -88.4 | -25.6 | 0 | 0 | 0 | 109.9 | D957 M976 | D957-D959 VanDerWaalsContact C-N 3.28Å; D957-D959 PolarHBondContact O-N 3.42Å; D959-M976 HydrophobicContact CB-CE 4.38Å; D959-M976 WeakPolarHBondContact OD1-CE 3.44Å | ||
| 960 | Q | 32.5 | Very low | 45.5 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | trans | -142.3 | 140 | 168.6 | -68.8 | -164.2 | -20.1 | 0 | 0 | 109.1 | E958 | E958-Q960 PolarHBondContact O-N 3.23Š| ||
| 961 | L | 30.1 | Very low | 42.6 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 87% | 0.869 | 67% | 0.668 | S | S | * | * | trans | 69.6 | 93.3 | -175.7 | -49.6 | 170.9 | 0 | 0 | 0 | 114.3 | ||||
| 962 | D | 34.3 | Very low | 39.8 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 91% | 0.909 | 68% | 0.683 | S | S | * | * | -162.8 | 143.9 | 105.8 | -95.5 | -18.9 | 0 | 0 | 0 | 109.5 | |||||
| 963 | S | 29.2 | Very low | 37.3 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | -125.6 | 167.1 | -176.9 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 964 | D | 32 | Very low | 35.3 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | 86.8 | 158.8 | 164.2 | -50 | -58.4 | 0 | 0 | 0 | 118.6 | ||||
| 965 | E | 33.5 | Very low | 33.7 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | trans | 71 | 64.2 | 178.7 | -52.9 | -145.6 | 147.9 | 0 | 0 | 120.8 | ||||
| 966 | A | 33.6 | Very low | 32 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | 69.4 | -177.5 | 125.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 967 | P | 36.9 | Very low | 30.8 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | -131.5 | -172.6 | -117.2 | 35.6 | -12 | 0 | 0 | 0 | 117 | |||||
| 968 | D | 29.7 | Very low | 30.2 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 71.2 | 65.3 | 157.7 | -56.2 | -25.1 | 0 | 0 | 0 | 120.9 | ||||
| 969 | D | 30.8 | Very low | 29.8 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | -159.7 | 103.4 | 123.8 | -135.6 | -24.2 | 0 | 0 | 0 | 112.5 | R971 | D969-R971 PolarHBondContact O-N 3.22Š| |||
| 970 | K | 28.6 | Very low | 29.4 | Very low | 208 Ų | 208 | 147 Ų | 147 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | trans | -98.3 | 64 | -171.7 | -78.9 | 177.5 | 179 | 163.4 | 0 | 113.8 | ||||
| 971 | R | 25.6 | Very low | 29.3 | Very low | 224 Ų | 224 | 142.6 Ų | 142.6 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -135 | 144.2 | 162.2 | -67.2 | -174.6 | 177.1 | 175.8 | 0.4 | 110.4 | D969 | D969-R971 PolarHBondContact O-N 3.22Š| ||
| 972 | C | 24.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 73.5 | 156.3 | -172.7 | -56.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 973 | F | 26.7 | Very low | 28.9 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | trans | 56.7 | 84.6 | 172.4 | -63.1 | -74.2 | 0 | 0 | 0 | 119.5 | K975 | F973-K975 PolarHBondContact O-N 3.04Š| ||
| 974 | A | 26.3 | Very low | 28.9 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 70% | 0.699 | S | S | * | * | trans | -90 | 82.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 975 | K | 26.1 | Very low | 28.8 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 74% | 0.735 | 69% | 0.685 | S | S | * | * | trans | -103.2 | 86.2 | 173.4 | -111 | -163.9 | 176 | -168 | 0 | 110.2 | F973 | F973-K975 PolarHBondContact O-N 3.04Š| ||
| 976 | M | 25.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 124 Ų | 124 | 71% | 0.714 | 65% | 0.653 | S | S | * | * | trans | -175 | 137.6 | 167.5 | -103.9 | 165.3 | 163 | 0 | 0 | 105.8 | D959 | D959-M976 HydrophobicContact CB-CE 4.38Å; D959-M976 WeakPolarHBondContact OD1-CE 3.44Å | ||
| 977 | S | 26.6 | Very low | 28 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | S | Bend | cis | -141.7 | 52.4 | 12.2 | 50.2 | 0 | 0 | 0 | 0 | 112 | L979 | S977-L979 PolarHBondContact O-N 3.36Š|
| 978 | F | 30 | Very low | 27.6 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 79% | 0.789 | 65% | 0.646 | S | S | * | * | trans | -79.2 | -1 | -168.2 | -104.6 | -88.4 | 0 | 0 | 0 | 117 | K980 | F978-K980 PolarHBondContact O-N 3.25Š| ||
| 979 | L | 28 | Very low | 27.3 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 45% | 0.45 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -74.6 | -30.3 | -158.9 | -119 | 69 | 0 | 0 | 0 | 116 | D957 S977 C981 N982 | D957-L979 WeakPolarHBondContact OD1-CD2 3.47Å; D957-L979 WeakPolarHBondContact OD2-CB 3.31Å; S977-L979 PolarHBondContact O-N 3.36Å; L979-C981 PolarHBondContact O-N 3.37Å; L979-N982 PolarHBondContact O-N 3.47Å |
| 980 | K | 26.8 | Very low | 27 | Very low | 167 Ų | 167 | 117 Ų | 117 | 73% | 0.726 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -72.8 | 1.3 | -175.7 | -66.6 | -170.1 | -180 | 179.9 | 0 | 115.5 | D957 F978 | D957-K980 PolarHBondContact O-NZ 3.37Å; F978-K980 PolarHBondContact O-N 3.25Å |
| 981 | C | 29.2 | Very low | 26.9 | Very low | 74 Ų | 74 | 114.2 Ų | 114.2 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -104.7 | -7.5 | 176 | -154.4 | 0 | 0 | 0 | 0 | 114.4 | L979 | L979-C981 PolarHBondContact O-N 3.37Š|
| 982 | N | 30.6 | Very low | 26.8 | Very low | 81 Ų | 81 | 108.4 Ų | 108.4 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -93.2 | -16.8 | -171.6 | -87.8 | -7.5 | 0 | 0 | 0 | 115.6 | L979 A984 Y985 | L979-N982 PolarHBondContact O-N 3.47Å; N982-A984 VanDerWaalsContact C-N 3.28Å; N982-A984 PolarHBondContact O-N 3.35Å; N982-Y985 PolarHBondContact O-N 2.81Å |
| 983 | K | 26.5 | Very low | 26.9 | Very low | 90 Ų | 90 | 110.2 Ų | 110.2 | 39% | 0.391 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -61.4 | -35.3 | -179.6 | -70 | -166 | 178 | -169.9 | 0 | 112.8 | E954 Y985 A986 | E954-K983 VanDerWaalsContact CD-CE 3.43Å; E954-K983 WeakPolarHBondContact OE1-CD 3.49Å; E954-K983 WeakPolarHBondContact OE1-CE 3.34Å; E954-K983 IonicContact OE1-NZ 2.89Å; E954-K983 PolarHBondContact OE1-NZ 3.24Å; E954-K983 WeakPolarHBondContact OE2-CE 3.29Å; E954-K983 IonicContact OE2-NZ 2.69Å; E954-K983 PolarHBondContact OE2-NZ 3Å; K983-Y985 PolarHBondContact O-N 3.06Å; K983-Y985 VanDerWaalsContact O-N 3.1Å; K983-A986 PolarHBondContact O-N 2.89Å |
| 984 | A | 29.3 | Very low | 26.8 | Very low | 57 Ų | 57 | 107.8 Ų | 107.8 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -70.1 | 1.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N982 | N982-A984 VanDerWaalsContact C-N 3.28Å; N982-A984 PolarHBondContact O-N 3.35Å |
| 985 | Y | 29.8 | Very low | 26.7 | Very low | 121 Ų | 121 | 108.2 Ų | 108.2 | 48% | 0.475 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -126.6 | 13.4 | 179.7 | -98.1 | -95.2 | 0 | 0 | 0 | 113.6 | N982 K983 R998 | N982-Y985 PolarHBondContact O-N 2.81Å; K983-Y985 PolarHBondContact O-N 3.06Å; K983-Y985 VanDerWaalsContact O-N 3.1Å; Y985-R998 VanDerWaalsContact CD2-NH2 3.28Å; Y985-R998 VanDerWaalsContact CE1-NH2 3.35Å; Y985-R998 VanDerWaalsContact CZ-NE 3.27Å; Y985-R998 PolarHBondContact OH-NE 3.26Å |
| 986 | A | 25.8 | Very low | 26.8 | Very low | 26 Ų | 26 | 103.2 Ų | 103.2 | 22% | 0.215 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -108 | 21.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L867 V868 K983 | L867-A986 VanDerWaalsContact O-O 3.13Å; V868-A986 WeakPolarHBondContact CG2-O 3.04Å; K983-A986 PolarHBondContact O-N 2.89Å |
| 987 | L | 25.5 | Very low | 26.8 | Very low | 119 Ų | 119 | 100.9 Ų | 100.9 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -135.8 | 39.5 | -172.3 | -101.3 | 163.6 | 0 | 0 | 0 | 113.4 | V868 | V868-L987 VanDerWaalsContact CG1-C 3.43Å; V868-L987 HydrophobicContact CG1-CD2 4.39Å; V868-L987 VanDerWaalsContact O-CD2 3.31Å; V868-L987 WeakPolarHBondContact O-CD2 3.48Å |
| 988 | Q | 26.8 | Very low | 26.9 | Very low | 151 Ų | 151 | 102.5 Ų | 102.5 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | trans | -146.1 | 29.7 | -172.9 | -135.5 | 177 | 16.1 | 0 | 0 | 117.7 | ||||
| 989 | S | 24.5 | Very low | 26.6 | Very low | 56 Ų | 56 | 98.9 Ų | 98.9 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -120.3 | 31.6 | 167.9 | 70 | 0 | 0 | 0 | 0 | 113.4 | F864 V868 | F864-S989 PolarHBondContact O-OG 3.23Å; F864-S989 VanDerWaalsContact O-OG 3.14Å; V868-S989 WeakPolarHBondContact CG2-OG 3.2Å |
| 990 | S | 24.2 | Very low | 26.7 | Very low | 33 Ų | 33 | 97.8 Ų | 97.8 | 23% | 0.231 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -156.7 | 159.7 | 155.8 | 65.9 | 0 | 0 | 0 | 0 | 109.1 | V868 N869 | V868-S990 WeakPolarHBondContact CG1-OG 3.47Å; N869-S990 WeakPolarHBondContact ND2-CB 3.43Å; N869-S990 PolarHBondContact ND2-OG 3.44Å; N869-S990 WeakPolarHBondContact OD1-CB 3.36Å; N869-S990 PolarHBondContact OD1-OG 3Å |
| 991 | I | 27 | Very low | 26.7 | Very low | 148 Ų | 148 | 93 Ų | 93 | 76% | 0.759 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 67.8 | 136.6 | -175.5 | -55 | 169.8 | 0 | 0 | 0 | 113.8 | ||
| 992 | S | 23.5 | Very low | 26.5 | Very low | 102 Ų | 102 | 95 Ų | 95 | 71% | 0.713 | 49% | 0.494 | S | S | * | . | trans | -95.8 | 117.8 | -170.7 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 993 | L | 26 | Very low | 26.2 | Very low | 157 Ų | 157 | 94.6 Ų | 94.6 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | trans | -146.3 | 147.9 | 165.1 | -90.1 | 164 | 0 | 0 | 0 | 109.7 | ||||
| 994 | P | 24.6 | Very low | 26.2 | Very low | 109 Ų | 109 | 92.8 Ų | 92.8 | 71% | 0.708 | 52% | 0.515 | S | S | * | . | trans | -91.7 | 174.9 | 179.9 | 37.1 | -35.3 | 0 | 0 | 0 | 114.1 | ||||
| 995 | D | 25.1 | Very low | 26 | Very low | 105 Ų | 105 | 95.4 Ų | 95.4 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | trans | 81 | 173.9 | 174 | -68.4 | -5.7 | 0 | 0 | 0 | 118.6 | K1437 | D995-K1437 WeakPolarHBondContact OD2-CE 3.4Å; D995-K1437 IonicContact OD2-NZ 2.89Å; D995-K1437 PolarHBondContact OD2-NZ 2.85Å | ||
| 996 | L | 27.2 | Very low | 25.9 | Very low | 64 Ų | 64 | 93.6 Ų | 93.6 | 34% | 0.335 | 52% | 0.521 | S | S | . | . | trans | 66.2 | 88 | -173.1 | -64.6 | 79.9 | 0 | 0 | 0 | 114.3 | L1423 K1437 | L996-L1423 HydrophobicContact CD2-CB 4.48Å; L996-L1423 HydrophobicContact CD2-CD2 3.78Å; L996-L1423 HydrophobicContact CG-CD2 4.27Å; L996-K1437 HydrophobicContact CD1-CB 4.04Å; L996-K1437 HydrophobicContact CD1-CD 3.79Å; L996-K1437 HydrophobicContact CD1-CG 3.71Å | ||
| 997 | H | 26 | Very low | 25.9 | Very low | 95 Ų | 95 | 95.6 Ų | 95.6 | 44% | 0.44 | 53% | 0.528 | S | S | . | . | 47.5 | 103 | 61.6 | -86.5 | 63 | 0 | 0 | 0 | 114.7 | E1411 | H997-E1411 IonicContact CD2-OE1 2.73Š| |||
| 998 | R | 27.7 | Very low | 25.8 | Very low | 132 Ų | 132 | 95.2 Ų | 95.2 | 50% | 0.498 | 53% | 0.526 | S | S | . | . | trans | -118.5 | 129.2 | 160.8 | -99.4 | -163.9 | -174.1 | -150.1 | 10.9 | 109.9 | Y985 E1000 | Y985-R998 VanDerWaalsContact CD2-NH2 3.28Å; Y985-R998 VanDerWaalsContact CE1-NH2 3.35Å; Y985-R998 VanDerWaalsContact CZ-NE 3.27Å; Y985-R998 PolarHBondContact OH-NE 3.26Å; R998-E1000 IonicContact CZ-OE1 2.65Å; R998-E1000 IonicContact NH1-OE1 3.73Å; R998-E1000 PolarHBondContact NH1-OE1 2.91Å | ||
| 999 | R | 25.6 | Very low | 25.7 | Very low | 103 Ų | 103 | 91.5 Ų | 91.5 | 39% | 0.389 | 52% | 0.515 | S | S | . | . | trans | -141.4 | 79.6 | 179.4 | -90.9 | 178.5 | 166.4 | 174.9 | 10.7 | 110.9 | T1001 S1408 | R999-T1001 PolarHBondContact O-N 2.87Å; R999-S1408 PolarHBondContact NH1-OG 2.87Å | ||
| 1000 | E | 28.6 | Very low | 25.6 | Very low | 64 Ų | 64 | 97.4 Ų | 97.4 | 30% | 0.299 | 54% | 0.539 | S | S | . | . | trans | -70 | 125.2 | -168.3 | -69.3 | -179.7 | -166.7 | 0 | 0 | 113.9 | R998 F1002 | R998-E1000 IonicContact CZ-OE1 2.65Å; R998-E1000 IonicContact NH1-OE1 3.73Å; R998-E1000 PolarHBondContact NH1-OE1 2.91Å; E1000-F1002 PolarHBondContact O-N 3.01Å | ||
| 1001 | T | 27.1 | Very low | 25.8 | Very low | 65 Ų | 65 | 100.2 Ų | 100.2 | 40% | 0.399 | 56% | 0.558 | S | S | . | * | trans | -90 | 89.4 | -177.7 | 32 | 0 | 0 | 0 | 0 | 111.5 | R999 G1003 H1407 | R999-T1001 PolarHBondContact O-N 2.87Å; T1001-G1003 PolarHBondContact O-N 3.04Å; T1001-H1407 HydrophobicContact CG2-CB 3.85Å; T1001-H1407 VanDerWaalsContact CG2-N 3.33Å | ||
| 1002 | F | 25.3 | Very low | 25.7 | Very low | 118 Ų | 118 | 101.4 Ų | 101.4 | 52% | 0.518 | 56% | 0.558 | S | S | . | * | trans | -68.7 | 76.8 | 166.3 | -87.5 | -86.9 | 0 | 0 | 0 | 111.2 | E1000 M1183 L1192 | E1000-F1002 PolarHBondContact O-N 3.01Å; F1002-M1183 HydrophobicContact CB-CE 3.92Å; F1002-M1183 HydrophobicContact CD2-CB 4.26Å; F1002-M1183 HydrophobicContact CD2-CE 4.48Å; F1002-M1183 HydrophobicContact CG-CE 4.05Å; F1002-L1192 HydrophobicContact CZ-CD1 3.86Å | ||
| 1003 | G | 25 | Very low | 25.9 | Very low | 71 Ų | 71 | 101.5 Ų | 101.5 | 73% | 0.732 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -156.5 | 10.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1001 | T1001-G1003 PolarHBondContact O-N 3.04Š|
| 1004 | G | 25.2 | Very low | 26.1 | Very low | 52 Ų | 52 | 98.6 Ų | 98.6 | 54% | 0.536 | 54% | 0.542 | S | S | . | . | trans | 178 | 109.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1006 | G1004-V1006 PolarHBondContact O-N 3.05Š| ||
| 1005 | I | 26.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 99.4 Ų | 99.4 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | trans | -73.9 | 114.4 | 168 | -65.6 | 168.5 | 0 | 0 | 0 | 106.9 | L1007 L1208 | I1005-L1007 HydrophobicContact CG2-CG 4.21Å; I1005-L1007 PolarHBondContact O-N 2.88Å; I1005-L1007 VanDerWaalsContact O-N 3.09Å; I1005-L1208 HydrophobicContact CB-CD1 4.32Å; I1005-L1208 HydrophobicContact CD1-CD1 3.72Å; I1005-L1208 HydrophobicContact CG2-CD1 4.49Å | ||
| 1006 | V | 26.2 | Very low | 26.4 | Very low | 82 Ų | 82 | 98 Ų | 98 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | trans | -79.7 | 90.4 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | G1004 L1008 C1402 | G1004-V1006 PolarHBondContact O-N 3.05Å; V1006-L1008 HydrophobicContact CG1-CD2 4.1Å; V1006-L1008 PolarHBondContact O-N 3.08Å; V1006-C1402 HydrophobicContact CG1-CB 4.36Å | ||
| 1007 | L | 26.8 | Very low | 26.7 | Very low | 69 Ų | 69 | 102.7 Ų | 102.7 | 36% | 0.361 | 58% | 0.584 | S | S | . | * | trans | -74.1 | 112.7 | 163.9 | -72.7 | 145.7 | 0 | 0 | 0 | 107.3 | I1005 P1009 V1205 L1208 | I1005-L1007 HydrophobicContact CG2-CG 4.21Å; I1005-L1007 PolarHBondContact O-N 2.88Å; I1005-L1007 VanDerWaalsContact O-N 3.09Å; L1007-P1009 WeakPolarHBondContact O-CD 3.49Å; L1007-V1205 WeakPolarHBondContact CD1-O 3.28Å; L1007-L1208 HydrophobicContact CD1-CD1 4.16Å; L1007-L1208 HydrophobicContact CD1-CG 4.16Å | ||
| 1008 | L | 23.3 | Very low | 26.8 | Very low | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | trans | -73.5 | 121.3 | -177.6 | -71 | 170.2 | 0 | 0 | 0 | 110.6 | V1006 M1010 | V1006-L1008 HydrophobicContact CG1-CD2 4.1Å; V1006-L1008 PolarHBondContact O-N 3.08Å; L1008-M1010 PolarHBondContact O-N 3.38Å | ||
| 1009 | P | 24.5 | Very low | 27.1 | Very low | 72 Ų | 72 | 100.7 Ų | 100.7 | 47% | 0.468 | 61% | 0.609 | S | S | . | * | trans | -73.3 | 98.6 | 174.7 | 29.5 | -33 | 0 | 0 | 0 | 110.3 | L1007 S1011 | L1007-P1009 WeakPolarHBondContact O-CD 3.49Å; P1009-S1011 VanDerWaalsContact C-N 3.3Å; P1009-S1011 PolarHBondContact O-N 3.35Å | ||
| 1010 | M | 23 | Very low | 27.3 | Very low | 180 Ų | 180 | 100.6 Ų | 100.6 | 89% | 0.887 | 63% | 0.625 | S | S | * | * | trans | -74.5 | 72.5 | 179.1 | -77.4 | -80.7 | -78.8 | 0 | 0 | 112.3 | L1008 | L1008-M1010 PolarHBondContact O-N 3.38Š| ||
| 1011 | S | 27.3 | Very low | 27.5 | Very low | 92 Ų | 92 | 105 Ų | 105 | 64% | 0.643 | 65% | 0.65 | S | S | * | * | trans | -102.3 | 97.7 | 174.9 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | P1009 | P1009-S1011 VanDerWaalsContact C-N 3.3Å; P1009-S1011 PolarHBondContact O-N 3.35Å | ||
| 1012 | K | 25.3 | Very low | 27.9 | Very low | 173 Ų | 173 | 106.6 Ų | 106.6 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -67 | 136 | 167.5 | -80.3 | -176.8 | 176.1 | 175 | 0 | 110.9 | D1014 | K1012-D1014 PolarHBondContact O-N 3.15Š| ||
| 1013 | P | 27.8 | Very low | 28.2 | Very low | 105 Ų | 105 | 109.3 Ų | 109.3 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -83.3 | 106.1 | 167 | 31.9 | -30.7 | 0 | 0 | 0 | 110.2 | H1052 | P1013-H1052 PolarHBondContact O-CE1 3.45Š| ||
| 1014 | D | 30.3 | Very low | 28.4 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 51% | 0.508 | 68% | 0.682 | S | S | . | * | trans | -84 | 114.5 | 170.4 | -86.6 | -5.2 | 0 | 0 | 0 | 110.4 | K1012 G1016 H1052 | K1012-D1014 PolarHBondContact O-N 3.15Å; D1014-G1016 PolarHBondContact O-N 3.26Å; D1014-H1052 IonicContact OD1-CE1 3.95Å; D1014-H1052 IonicContact OD1-CG 2.78Å; D1014-H1052 IonicContact OD1-ND1 2.68Å; D1014-H1052 PolarHBondContact OD1-ND1 2.76Å | ||
| 1015 | C | 28.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 86% | 0.858 | 70% | 0.697 | S | S | * | * | trans | -70 | 120.5 | 170.2 | -63.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1016 | G | 27.8 | Very low | 29.1 | Very low | 75 Ų | 75 | 116.4 Ų | 116.4 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -83.8 | 172.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D1014 | D1014-G1016 PolarHBondContact O-N 3.26Š| ||
| 1017 | D | 32.2 | Very low | 29.5 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | trans | -131.4 | 139.3 | 159.4 | -101.6 | -46 | 0 | 0 | 0 | 107.4 | ||||
| 1018 | G | 29.6 | Very low | 29.7 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -78.1 | -178.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1019 | P | 32.9 | Very low | 30.1 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | -151.2 | 165.6 | 68.5 | 40.2 | -21.7 | 0 | 0 | 0 | 118.4 | |||||
| 1020 | S | 30.7 | Very low | 30.4 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 66.7 | 98.6 | 140.9 | 61.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1021 | N | 31.5 | Very low | 30.9 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | 83.7 | 159.8 | 115.5 | -113.6 | 26.4 | 0 | 0 | 0 | 119.6 | |||||
| 1022 | P | 35.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | -137.8 | 178.1 | -96.4 | 41.5 | -24 | 0 | 0 | 0 | 114.6 | |||||
| 1023 | L | 31.6 | Very low | 31.4 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | trans | -165.4 | 123.2 | 146.5 | -110.6 | 170 | 0 | 0 | 0 | 110.6 | ||||
| 1024 | S | 29.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -163.4 | 120.6 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1025 | E | 33.9 | Very low | 31.8 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -77.7 | 121.3 | 153.6 | -65.3 | 165.7 | 149.8 | 0 | 0 | 104.9 | ||||
| 1026 | S | 33.5 | Very low | 32 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | 66.8 | 140.6 | 66.5 | 91.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1027 | D | 33.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | cis | -128.4 | 155.7 | 25.3 | -53.5 | -47.4 | 0 | 0 | 0 | 114.2 | ||||
| 1028 | D | 31.2 | Very low | 32.3 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | trans | -168.7 | 152.5 | 136.1 | -100 | -22.2 | 0 | 0 | 0 | 110.6 | ||||
| 1029 | E | 32.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -52.2 | 133.1 | -152.1 | -61.6 | -178.2 | 147.1 | 0 | 0 | 122.8 | ||||
| 1030 | E | 31 | Very low | 32.4 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | 64.4 | 121.7 | 126.5 | -64.5 | -139.2 | 132 | 0 | 0 | 126.7 | |||||
| 1031 | L | 33 | Very low | 32.5 | Very low | 122 Ų | 122 | 136 Ų | 136 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | 83.7 | 113.7 | 136 | -87.5 | 82.7 | 0 | 0 | 0 | 125.3 | ||||
| 1032 | F | 31.8 | Very low | 32.6 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 54.4 | 119.3 | 145 | -70.7 | -82.2 | 0 | 0 | 0 | 121.9 | ||||
| 1033 | S | 31.5 | Very low | 32.8 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | 101.6 | 148.1 | 59.8 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1034 | S | 33.6 | Very low | 32.8 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -175.6 | 149.4 | -5.6 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1035 | E | 32.8 | Very low | 32.7 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 48.5 | 152.6 | 157.4 | -62.3 | -162.7 | 119.5 | 0 | 0 | 121.7 | R1037 | E1035-R1037 IonicContact OE1-CZ 3.84Å; E1035-R1037 IonicContact OE1-NE 3.8Å; E1035-R1037 IonicContact OE1-NH2 2.99Å; E1035-R1037 PolarHBondContact OE1-NH2 3.08Å; E1035-R1037 IonicContact OE2-NH2 3.83Å | ||
| 1036 | G | 32.8 | Very low | 32.6 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | 161.6 | 167.9 | -10.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1037 | R | 32.2 | Very low | 32.4 | Very low | 194 Ų | 194 | 133 Ų | 133 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 88.9 | 116.1 | 152.7 | -56.3 | -177.5 | -166 | -177.5 | 8.6 | 124.1 | E1035 | E1035-R1037 IonicContact OE1-CZ 3.84Å; E1035-R1037 IonicContact OE1-NE 3.8Å; E1035-R1037 IonicContact OE1-NH2 2.99Å; E1035-R1037 PolarHBondContact OE1-NH2 3.08Å; E1035-R1037 IonicContact OE2-NH2 3.83Å | ||
| 1038 | N | 33.9 | Very low | 32 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | 86.7 | 103.6 | 122.5 | -64 | 9.3 | 0 | 0 | 0 | 125.8 | |||||
| 1039 | A | 32.2 | Very low | 31.8 | Very low | 109 Ų | 109 | 137 Ų | 137 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | 69.1 | 137.8 | 115.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1040 | G | 32.6 | Very low | 31.3 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 174.2 | 72.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1041 | T | 33.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | 45 | 130.7 | 148.1 | 46.9 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1042 | S | 32 | Very low | 30.6 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 92.2 | 149.8 | 137.5 | -72.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1043 | P | 39.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -133.6 | 172.1 | -157.5 | 43.4 | -26.3 | 0 | 0 | 0 | 117.1 | ||||
| 1044 | N | 31.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | -173.8 | 158.4 | 123.4 | -113.3 | -27 | 0 | 0 | 0 | 116.7 | |||||
| 1045 | S | 28.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 80 | 143.4 | 154.3 | 86 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1046 | H | 31.5 | Very low | 29.4 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 139.1 | 172.1 | -65.9 | -76 | 0 | 0 | 0 | 122 | ||||
| 1047 | A | 29 | Very low | 29.2 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | -75.4 | 155.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1048 | K | 26.5 | Very low | 29 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | 62 | 138.6 | 47.4 | -70.7 | -179.3 | 178.1 | 173.2 | 0 | 112.2 | ||||
| 1049 | R | 25.7 | Very low | 28.5 | Very low | 210 Ų | 210 | 132.6 Ų | 132.6 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | cis | -158 | 141.9 | 16.1 | -143.3 | 173.7 | -176.1 | 170.7 | -4 | 111.5 | ||||
| 1050 | S | 22.8 | Very low | 28.3 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -107.1 | 157.1 | 146.8 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1051 | R | 25.3 | Very low | 27.9 | Very low | 218 Ų | 218 | 137.1 Ų | 137.1 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | -175.4 | 160.5 | 151.1 | -109.6 | 168.1 | -172.1 | -143.4 | -4.5 | 115.1 | ||||
| 1052 | H | 24.2 | Very low | 27.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 49% | 0.486 | 76% | 0.755 | S | S | . | * | trans | -85.8 | -153.2 | 178.3 | -57.5 | -141.6 | 0 | 0 | 0 | 111.5 | P1013 D1014 | P1013-H1052 PolarHBondContact O-CE1 3.45Å; D1014-H1052 IonicContact OD1-CE1 3.95Å; D1014-H1052 IonicContact OD1-CG 2.78Å; D1014-H1052 IonicContact OD1-ND1 2.68Å; D1014-H1052 PolarHBondContact OD1-ND1 2.76Å | ||
| 1053 | V | 25.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | 99.2 | 130.9 | -179.6 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1054 | V | 26.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | cis | -161.2 | -171.8 | -22.8 | 73.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1055 | V | 25.9 | Very low | 26.4 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -103.9 | 154 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1056 | A | 26.6 | Very low | 26.3 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | 149.8 | 156.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1057 | D | 27.7 | Very low | 26.1 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | cis | -149.9 | 175.2 | -7.9 | -137.6 | -37.5 | 0 | 0 | 0 | 111.4 | ||||
| 1058 | L | 27.8 | Very low | 26 | Very low | 153 Ų | 153 | 137 Ų | 137 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | trans | -98.9 | 161.3 | 175.3 | -102.7 | 168.3 | 0 | 0 | 0 | 113.8 | ||||
| 1059 | S | 24.4 | Very low | 26 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 69.6 | 122.1 | 162.5 | 75.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1060 | S | 26.8 | Very low | 26.1 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -165.4 | 144.4 | 132 | 8.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1061 | L | 25 | Very low | 26.6 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 31.6 | 132.6 | 138.4 | -60.6 | 163.1 | 0 | 0 | 0 | 119 | ||||
| 1062 | S | 25.1 | Very low | 27 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 52% | 0.524 | 73% | 0.731 | S | S | . | * | cis | 158.2 | 179.1 | -9.7 | 41.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1063 | D | 26.3 | Very low | 27.4 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 75.7 | 141.4 | 154.7 | -50.8 | -47 | 0 | 0 | 0 | 119.5 | ||||
| 1064 | L | 29 | Very low | 27.5 | Very low | 146 Ų | 146 | 132 Ų | 132 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 74.4 | 108.5 | 170.8 | -55.3 | 162.9 | 0 | 0 | 0 | 114.8 | ||||
| 1065 | Q | 25.7 | Very low | 27.5 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | cis | 65.2 | 138.1 | 47.5 | -54.4 | -175.4 | -99.3 | 0 | 0 | 112.7 | ||||
| 1066 | D | 25.4 | Very low | 27.7 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -158.4 | -166.6 | -5.6 | -119.7 | -36.2 | 0 | 0 | 0 | 109.2 | ||||
| 1067 | D | 26 | Very low | 27.6 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | 75.5 | 114.9 | 148 | -72.3 | -31.5 | 0 | 0 | 0 | 120.1 | ||||
| 1068 | T | 27.3 | Very low | 27.6 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 72.1 | 143 | 137.8 | 61.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1069 | S | 26.8 | Very low | 27.4 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | cis | -166.3 | 158.3 | -12.5 | 45.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1070 | D | 28.4 | Very low | 27.5 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 24.9 | 143.6 | 134 | -33.5 | -34 | 0 | 0 | 0 | 118.8 | ||||
| 1071 | E | 32.4 | Very low | 27.4 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | -150.7 | 170.2 | 35.8 | -65.5 | 172.6 | 132.1 | 0 | 0 | 112.1 | ||||
| 1072 | D | 33.6 | Very low | 27.3 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 65 | 126.9 | 154.2 | -72.4 | -1.7 | 0 | 0 | 0 | 120.7 | ||||
| 1073 | L | 33.2 | Very low | 27.2 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | cis | -148.6 | 149.1 | 6.9 | -103.9 | 159.4 | 0 | 0 | 0 | 112 | ||||
| 1074 | D | 27.5 | Very low | 27.2 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -96.8 | 174.6 | -169.5 | -94 | -59.2 | 0 | 0 | 0 | 116.1 | ||||
| 1075 | E | 27.3 | Very low | 27 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | 69.5 | 151.9 | 155.4 | -83.4 | -173.7 | 175.7 | 0 | 0 | 118.8 | ||||
| 1076 | L | 28.9 | Very low | 27 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -138.9 | 166.6 | 16.9 | -123.5 | 138.7 | 0 | 0 | 0 | 111.8 | ||||
| 1077 | S | 25 | Very low | 27.1 | Very low | 91 Ų | 91 | 148.2 Ų | 148.2 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -121.5 | 171.5 | -175.8 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1078 | L | 27 | Very low | 27 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 78.4 | 139.6 | 160.5 | -71.5 | 162.8 | 0 | 0 | 0 | 121.3 | ||||
| 1079 | S | 24.4 | Very low | 27 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 66.6 | 96.9 | 159.2 | 63.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1080 | G | 26.6 | Very low | 26.9 | Very low | 82 Ų | 82 | 148.6 Ų | 148.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -164.3 | 109.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1081 | M | 23.5 | Very low | 26.9 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -82.9 | 146.4 | 168.3 | -98.6 | -175.9 | 162.6 | 0 | 0 | 109.9 | ||||
| 1082 | S | 23.3 | Very low | 26.7 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 70.4 | 142.4 | 155.4 | 64.6 | 0 | 0 | 0 | 0 | 120.5 | ||
| 1083 | E | 24 | Very low | 26.4 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | 72.7 | 155.1 | 164 | -50.9 | -154.6 | 136.7 | 0 | 0 | 119.9 | ||||
| 1084 | Y | 26 | Very low | 26 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 66% | 0.659 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 134.6 | 169.1 | -59.3 | -67.5 | 0 | 0 | 0 | 118.1 | ||||
| 1085 | R | 25.4 | Very low | 26.1 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | cis | -153.5 | 160.7 | -9.8 | -152.8 | 164.5 | -160.1 | 129.7 | 0.9 | 111.4 | ||||
| 1086 | M | 25.3 | Very low | 26 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -52.3 | 149.5 | 168.8 | -59.9 | 152.8 | 166.4 | 0 | 0 | 112.8 | ||||
| 1087 | Y | 27.7 | Very low | 25.9 | Very low | 237 Ų | 237 | 150.7 Ų | 150.7 | 93% | 0.929 | 79% | 0.788 | S | S | * | * | trans | -111.4 | 145.7 | 145.2 | -96.9 | -88.4 | 0 | 0 | 0 | 110.1 | ||||
| 1088 | S | 23.5 | Very low | 26.1 | Very low | 83 Ų | 83 | 153.6 Ų | 153.6 | 58% | 0.58 | 80% | 0.797 | S | S | * | * | trans | -85.2 | 136 | -156.1 | -173 | 0 | 0 | 0 | 0 | 114.4 | M1090 | S1088-M1090 PolarHBondContact O-N 3.43Å; S1088-M1090 PolarHBondContact OG-N 2.68Å; S1088-M1090 PolarHBondContact OG-O 3.27Å | ||
| 1089 | P | 26.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -89.4 | 50.5 | 158.5 | 37.7 | -33.2 | 0 | 0 | 0 | 111.2 | ||
| 1090 | M | 25.7 | Very low | 26.4 | Very low | 145 Ų | 145 | 155 Ų | 155 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -164.8 | 112.6 | 175.5 | -97.5 | -104.6 | -82 | 0 | 0 | 109.6 | S1088 | S1088-M1090 PolarHBondContact O-N 3.43Å; S1088-M1090 PolarHBondContact OG-N 2.68Å; S1088-M1090 PolarHBondContact OG-O 3.27Å | ||
| 1091 | D | 28.5 | Very low | 26.4 | Very low | 155 Ų | 155 | 155.3 Ų | 155.3 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 172.4 | 92.6 | 137.7 | -96 | -17.4 | 0 | 0 | 0 | 111.7 | ||||
| 1092 | Q | 28.1 | Very low | 26.6 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | -168.2 | 147.9 | 132.4 | -104.3 | 167.6 | 34.1 | 0 | 0 | 110.1 | ||||
| 1093 | P | 26.9 | Very low | 26.8 | Very low | 112 Ų | 112 | 148 Ų | 148 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -114.2 | 177.9 | -151.9 | 40.9 | -31.2 | 0 | 0 | 0 | 115.5 | ||||
| 1094 | F | 24.7 | Very low | 26.9 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -15.5 | 125.9 | 162.8 | -67.8 | -100.7 | 0 | 0 | 0 | 117.5 | ||||
| 1095 | D | 28.9 | Very low | 27 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | -153.6 | 115.7 | 119.3 | -86.1 | -31.6 | 0 | 0 | 0 | 106.8 | |||||
| 1096 | E | 26.8 | Very low | 27 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | 83.8 | 135.4 | 110.6 | -68.2 | -149.2 | 128.5 | 0 | 0 | 116 | |||||
| 1097 | M | 25.9 | Very low | 27.1 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | trans | 26 | 129.5 | 162.3 | -57.2 | -175.8 | -174.8 | 0 | 0 | 119.4 | ||||
| 1098 | D | 29.6 | Very low | 27.1 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | -149.4 | 159.9 | 50.1 | -137.8 | -24 | 0 | 0 | 0 | 115.4 | |||||
| 1099 | V | 26.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 130 Ų | 130 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -107.9 | 97.8 | -170.3 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1100 | H | 30.8 | Very low | 27.3 | Very low | 190 Ų | 190 | 132 Ų | 132 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | -144.3 | 112.5 | 157 | -93.1 | -43.5 | 0 | 0 | 0 | 115.5 | ||||
| 1101 | S | 26.8 | Very low | 27.6 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -60 | 149.9 | 165.8 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1102 | G | 26.9 | Very low | 27.5 | Very low | 39 Ų | 39 | 131.3 Ų | 131.3 | 40% | 0.402 | 76% | 0.759 | S | S | . | * | cis | 151.9 | 178 | -5.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1103 | T | 28.1 | Very low | 27.7 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | trans | 67.1 | 125 | 159.9 | 65 | 0 | 0 | 0 | 0 | 121.8 | F84 | F84-T1103 HydrophobicContact CD1-CG2 3.76Å; F84-T1103 HydrophobicContact CE1-CG2 3.79Å; F84-T1103 WeakPolarHBondContact CE1-OG1 3.16Å | ||
| 1104 | G | 27.2 | Very low | 27.7 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | 86.3 | 126.8 | 145 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1105 | S | 27.7 | Very low | 27.8 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | cis | -152.2 | 113.6 | 24.9 | -167.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1106 | L | 24.8 | Very low | 27.9 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 95% | 0.948 | 76% | 0.762 | S | S | * | * | trans | -82.8 | 143.7 | 151.2 | -94.4 | 159.4 | 0 | 0 | 0 | 108.2 | ||||
| 1107 | G | 26.7 | Very low | 27.9 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 107 | 100.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1108 | S | 27.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -149.6 | 81 | 147.9 | 61 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1109 | A | 29.3 | Very low | 28.1 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -68.4 | 163.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1110 | E | 26.1 | Very low | 28.2 | Very low | 170 Ų | 170 | 124.2 Ų | 124.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -66.7 | 140.6 | -167.6 | -61.9 | 131 | 136.2 | 0 | 0 | 114.1 | ||||
| 1111 | N | 30.9 | Very low | 28.2 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -175.6 | 103.2 | 147.3 | -90.5 | -52 | 0 | 0 | 0 | 104.7 | ||||
| 1112 | I | 27.1 | Very low | 28.3 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | 46.4 | 85.3 | 69.9 | -48.9 | -179.9 | 0 | 0 | 0 | 110.6 | |||||
| 1113 | N | 31.5 | Very low | 28.4 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -159.8 | 142.1 | 130.2 | -102.9 | -50.4 | 0 | 0 | 0 | 111.1 | ||||
| 1114 | T | 28.2 | Very low | 28.5 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -80.9 | 174.5 | -163.3 | -36.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1115 | E | 26.2 | Very low | 28.5 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -54.4 | 155.7 | 175.9 | -47.5 | -176.6 | 130 | 0 | 0 | 114.3 | ||||
| 1116 | I | 30.5 | Very low | 28.6 | Very low | 172 Ų | 172 | 129 Ų | 129 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | -164.6 | 160.6 | 123.1 | -101.5 | 157.3 | 0 | 0 | 0 | 109.9 | |||||
| 1117 | S | 27.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -107.5 | 171.8 | -158.8 | 61.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1118 | G | 29 | Very low | 29.2 | Very low | 54 Ų | 54 | 127.6 Ų | 127.6 | 56% | 0.557 | 80% | 0.802 | S | S | * | * | trans | 147.2 | 127 | 147 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1119 | F | 30 | Very low | 29.4 | Very low | 219 Ų | 219 | 126.7 Ų | 126.7 | 96% | 0.961 | 80% | 0.795 | S | S | * | * | trans | 61.3 | 121.4 | 156.6 | -50 | -82.4 | 0 | 0 | 0 | 118.6 | ||||
| 1120 | G | 30.1 | Very low | 29.8 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | cis | 111 | 140.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1121 | L | 29.4 | Very low | 29.9 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 97% | 0.969 | 79% | 0.787 | S | S | * | * | trans | -167.1 | 123.2 | 163.1 | -111.5 | 173.3 | 0 | 0 | 0 | 113.7 | ||||
| 1122 | G | 30.3 | Very low | 29.7 | Very low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 81.5 | 147.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1123 | S | 28.5 | Very low | 29.9 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | cis | -169.8 | 121.2 | -17.9 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1124 | G | 29.6 | Very low | 29.6 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 77.7 | 160.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1125 | S | 27.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -165.5 | 156.1 | -12.7 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1126 | S | 30.4 | Very low | 29.7 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 65.9 | 125.6 | 164.1 | 48.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1127 | S | 28.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -92.4 | -173.9 | 166.9 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1128 | P | 34.4 | Very low | 29.5 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | cis | -146.4 | 173.8 | 18 | 44.4 | -23.3 | 0 | 0 | 0 | 120.6 | ||||
| 1129 | S | 32.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -31 | 173.2 | 158 | 59.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1130 | P | 38.1 | Very low | 29.2 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -136.9 | -166.7 | -19.8 | 28.4 | -4.1 | 0 | 0 | 0 | 114.3 | ||||
| 1131 | D | 27 | Very low | 29 | Very low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 116.5 | 132.2 | 147.5 | -63.8 | -19.5 | 0 | 0 | 0 | 119.3 | ||||
| 1132 | T | 27.9 | Very low | 28.8 | Very low | 137 Ų | 137 | 118 Ų | 118 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 81.2 | 129.7 | 160.7 | -35.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1133 | A | 30 | Very low | 28.7 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | 55.3 | 113.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1134 | A | 25.4 | Very low | 28.6 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | 70.6 | 134.3 | 30.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1135 | Q | 27 | Very low | 28.6 | Very low | 191 Ų | 191 | 120.8 Ų | 120.8 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 67.8 | 130.5 | -179.9 | -72.7 | -176.4 | -11.5 | 0 | 0 | 115.6 | ||||
| 1136 | V | 30.8 | Very low | 28.6 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 54% | 0.539 | 77% | 0.771 | S | S | . | * | cis | -138.4 | 140.9 | 0.1 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | E1138 | V1136-E1138 HydrophobicContact CG1-CB 4.03Å; V1136-E1138 HydrophobicContact CG1-CG 3.48Å; V1136-E1138 VanDerWaalsContact CG1-CG 3.48Å | ||
| 1137 | V | 25.8 | Very low | 28.4 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -126.4 | 89.2 | 160.8 | -180 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1138 | E | 27.6 | Very low | 28.4 | Very low | 157 Ų | 157 | 127 Ų | 127 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -91.2 | 105.3 | 169.9 | -82.7 | 154 | -177.6 | 0 | 0 | 105.8 | V1136 | V1136-E1138 HydrophobicContact CG1-CB 4.03Å; V1136-E1138 HydrophobicContact CG1-CG 3.48Å; V1136-E1138 VanDerWaalsContact CG1-CG 3.48Å | ||
| 1139 | S | 26.1 | Very low | 28.5 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | 84.3 | 86.7 | 58.4 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1140 | S | 26.2 | Very low | 28.9 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -129.4 | 25.4 | 177.8 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1141 | E | 26.6 | Very low | 29.3 | Very low | 193 Ų | 193 | 128.3 Ų | 128.3 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -117.7 | 35.8 | -176.2 | -63 | -175.7 | 136 | 0 | 0 | 111 | ||||
| 1142 | A | 25.5 | Very low | 30.5 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -141.6 | 38.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1143 | A | 26.6 | Very low | 31.5 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 74% | 0.744 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -143.5 | 10 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1144 | D | 28.2 | Very low | 32.3 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -126.3 | 63.9 | -175 | -80.3 | -65.4 | 0 | 0 | 0 | 111.4 | ||||
| 1145 | A | 27.5 | Very low | 33.7 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | trans | -101.6 | 14.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1147 | A1145-T1147 PolarHBondContact O-N 3.41Š| ||
| 1146 | E | 28.4 | Very low | 35.2 | Very low | 170 Ų | 170 | 114.5 Ų | 114.5 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | trans | -54.6 | 116.7 | 170.2 | -74.4 | -158.5 | 152.9 | 0 | 0 | 109.9 | K1148 | E1146-K1148 PolarHBondContact O-N 3.01Š| ||
| 1147 | T | 27.4 | Very low | 36.9 | Very low | 106 Ų | 106 | 114.2 Ų | 114.2 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | trans | -73.6 | 84.5 | 177.2 | -51.8 | 0 | 0 | 0 | 0 | 108.1 | A1145 V1149 | A1145-T1147 PolarHBondContact O-N 3.41Å; T1147-V1149 PolarHBondContact O-N 2.84Å | ||
| 1148 | K | 28.9 | Very low | 38.6 | Very low | 190 Ų | 190 | 108 Ų | 108 | 83% | 0.826 | 65% | 0.652 | S | S | * | * | trans | -30.2 | 104.6 | -172.1 | -79.7 | -178.4 | 175.8 | 173.2 | 0 | 112.4 | E1146 Q1150 | E1146-K1148 PolarHBondContact O-N 3.01Å; K1148-Q1150 PolarHBondContact O-N 2.9Å | ||
| 1149 | V | 36.2 | Very low | 40.2 | Very low | 125 Ų | 125 | 105.8 Ų | 105.8 | 76% | 0.758 | 64% | 0.644 | S | S | * | * | trans | -54.4 | 115.6 | 165 | 177.7 | 0 | 0 | 0 | 0 | 106 | T1147 S1151 | T1147-V1149 PolarHBondContact O-N 2.84Å; V1149-S1151 PolarHBondContact O-N 3.5Å | ||
| 1150 | Q | 40.2 | Very low | 42 | Very low | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | trans | -62.6 | 105.3 | 174 | -76.3 | -167.7 | -5.3 | 0 | 0 | 107.1 | K1148 L1152 Y1177 T1181 | K1148-Q1150 PolarHBondContact O-N 2.9Å; Q1150-L1152 PolarHBondContact O-N 2.82Å; Q1150-Y1177 PolarHBondContact OE1-OH 3.26Å; Q1150-T1181 HydrophobicContact CB-CG2 4.27Å | ||
| 1151 | S | 45.5 | Very low | 43.7 | Very low | 102 Ų | 102 | 100.4 Ų | 100.4 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 136.6 | 171.6 | 40 | 0 | 0 | 0 | 0 | 108.3 | V1149 | V1149-S1151 PolarHBondContact O-N 3.5Š|
| 1152 | L | 52 | Low | 45.6 | Very low | 39 Ų | 39 | 93 Ų | 93 | 20% | 0.204 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -53.9 | 129.8 | -179.7 | -63.6 | 173.8 | 0 | 0 | 0 | 108.4 | Q1150 L1156 V1158 V1182 | Q1150-L1152 PolarHBondContact O-N 2.82Å; L1152-L1156 HydrophobicContact CB-CD2 4.35Å; L1152-L1156 HydrophobicContact CD2-CD2 4.2Å; L1152-V1158 HydrophobicContact CD1-CG2 3.79Å; L1152-V1182 HydrophobicContact CD2-CG2 4.33Å |
| 1153 | P | 50.9 | Low | 47.4 | Very low | 62 Ų | 62 | 93.1 Ų | 93.1 | 40% | 0.403 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 132.6 | -170.3 | 16.3 | -28.6 | 0 | 0 | 0 | 110.5 | G1155 L1156 | P1153-G1155 PolarHBondContact O-N 2.85Å; P1153-G1155 VanDerWaalsContact O-N 3.12Å; P1153-L1156 HydrophobicContact CG-CB 4.23Å; P1153-L1156 HydrophobicContact CG-CD2 4.19Å; P1153-L1156 VanDerWaalsContact O-CB 3.28Å; P1153-L1156 WeakPolarHBondContact O-CB 3.41Å; P1153-L1156 PolarHBondContact O-N 3.32Å |
| 1154 | P | 45.6 | Very low | 49.1 | Very low | 137 Ų | 137 | 91.3 Ų | 91.3 | 89% | 0.89 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 119.2 | -167.5 | 21.5 | -32.9 | 0 | 0 | 0 | 111.2 | ||
| 1155 | G | 54.9 | Low | 50.8 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 87% | 0.866 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | -0.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1153 N1157 | P1153-G1155 PolarHBondContact O-N 2.85Å; P1153-G1155 VanDerWaalsContact O-N 3.12Å; G1155-N1157 PolarHBondContact O-N 3.34Å; G1155-N1157 VanDerWaalsContact O-N 3.09Å |
| 1156 | L | 58.6 | Low | 52.2 | Low | 43 Ų | 43 | 86 Ų | 86 | 23% | 0.225 | 47% | 0.474 | C | S | . | . | trans | -65.8 | 107.4 | 174 | 179.3 | 59.2 | 0 | 0 | 0 | 111.6 | L1152 P1153 V1158 A1161 I1173 V1182 | L1152-L1156 HydrophobicContact CB-CD2 4.35Å; L1152-L1156 HydrophobicContact CD2-CD2 4.2Å; P1153-L1156 HydrophobicContact CG-CB 4.23Å; P1153-L1156 HydrophobicContact CG-CD2 4.19Å; P1153-L1156 VanDerWaalsContact O-CB 3.28Å; P1153-L1156 WeakPolarHBondContact O-CB 3.41Å; P1153-L1156 PolarHBondContact O-N 3.32Å; L1156-V1158 PolarHBondContact O-N 3.2Å; L1156-V1158 VanDerWaalsContact O-N 3.09Å; L1156-A1161 HydrophobicContact CD1-CB 3.95Å; L1156-I1173 HydrophobicContact CD1-CD1 3.64Å; L1156-I1173 HydrophobicContact CD2-CD1 4.5Å; L1156-V1182 HydrophobicContact CD2-CG2 4.4Å | ||
| 1157 | N | 65.6 | Low | 53.5 | Low | 82 Ų | 82 | 82.8 Ų | 82.8 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | trans | -73.2 | 100.3 | 165.6 | 179.9 | -12.6 | 0 | 0 | 0 | 109.4 | G1155 L1159 N1160 A1161 | G1155-N1157 PolarHBondContact O-N 3.34Å; G1155-N1157 VanDerWaalsContact O-N 3.09Å; N1157-L1159 VanDerWaalsContact C-N 3.31Å; N1157-L1159 PolarHBondContact O-N 3Å; N1157-L1159 PolarHBondContact OD1-N 3.48Å; N1157-L1159 VanDerWaalsContact OD1-N 3.1Å; N1157-N1160 HydrophobicContact CB-CB 4.07Å; N1157-N1160 PolarHBondContact ND2-OD1 3.28Å; N1157-N1160 PolarHBondContact O-N 3.21Å; N1157-N1160 PolarHBondContact OD1-N 3.47Å; N1157-N1160 VanDerWaalsContact OD1-N 3.12Å; N1157-A1161 PolarHBondContact O-N 3.06Å | ||
| 1158 | V | 61.9 | Low | 54.7 | Low | 17 Ų | 17 | 80.5 Ų | 80.5 | 10% | 0.103 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.8 | -37.8 | -177.8 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | L1152 L1156 A1161 H1162 V1182 Y1188 | L1152-V1158 HydrophobicContact CD1-CG2 3.79Å; L1156-V1158 PolarHBondContact O-N 3.2Å; L1156-V1158 VanDerWaalsContact O-N 3.09Å; V1158-A1161 PolarHBondContact O-N 3.3Å; V1158-H1162 WeakPolarHBondContact O-CB 3.16Å; V1158-H1162 PolarHBondContact O-N 3.23Å; V1158-V1182 HydrophobicContact CG1-CG1 4.3Å; V1158-Y1188 HydrophobicContact CG1-CD2 3.6Å; V1158-Y1188 HydrophobicContact CG1-CE2 4.46Å; V1158-Y1188 HydrophobicContact CG1-CG 4.44Å |
| 1159 | L | 61 | Low | 55.7 | Low | 109 Ų | 109 | 77.8 Ų | 77.8 | 57% | 0.571 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.3 | -44.3 | 177.8 | -77.9 | 162.9 | 0 | 0 | 0 | 111.4 | N1157 A1161 H1162 H1163 | N1157-L1159 VanDerWaalsContact C-N 3.31Å; N1157-L1159 PolarHBondContact O-N 3Å; N1157-L1159 PolarHBondContact OD1-N 3.48Å; N1157-L1159 VanDerWaalsContact OD1-N 3.1Å; L1159-A1161 VanDerWaalsContact C-N 3.34Å; L1159-A1161 PolarHBondContact O-N 3.17Å; L1159-H1162 PolarHBondContact O-N 3.01Å; L1159-H1163 WeakPolarHBondContact O-CB 3.3Å; L1159-H1163 PolarHBondContact O-N 3.06Å |
| 1160 | N | 64.3 | Low | 56.6 | Low | 96 Ų | 96 | 73.4 Ų | 73.4 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 174.5 | -78.1 | 26 | 0 | 0 | 0 | 111.4 | N1157 H1162 H1163 E1164 | N1157-N1160 HydrophobicContact CB-CB 4.07Å; N1157-N1160 PolarHBondContact ND2-OD1 3.28Å; N1157-N1160 PolarHBondContact O-N 3.21Å; N1157-N1160 PolarHBondContact OD1-N 3.47Å; N1157-N1160 VanDerWaalsContact OD1-N 3.12Å; N1160-H1162 VanDerWaalsContact C-N 3.3Å; N1160-H1162 PolarHBondContact O-N 3.38Å; N1160-H1163 PolarHBondContact O-N 3.31Å; N1160-E1164 WeakPolarHBondContact O-CB 3.41Å; N1160-E1164 WeakPolarHBondContact O-CG 3.45Å; N1160-E1164 PolarHBondContact O-N 3.37Å |
| 1161 | A | 62.8 | Low | 57.2 | Low | 2 Ų | 2 | 71.9 Ų | 71.9 | 2% | 0.017 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1156 N1157 V1158 L1159 R1165 I1173 F1178 | L1156-A1161 HydrophobicContact CD1-CB 3.95Å; N1157-A1161 PolarHBondContact O-N 3.06Å; V1158-A1161 PolarHBondContact O-N 3.3Å; L1159-A1161 VanDerWaalsContact C-N 3.34Å; L1159-A1161 PolarHBondContact O-N 3.17Å; A1161-R1165 PolarHBondContact O-N 3.05Å; A1161-R1165 VanDerWaalsContact O-N 3.13Å; A1161-I1173 HydrophobicContact CB-CD1 3.88Å; A1161-F1178 VanDerWaalsContact C-CE2 3.44Å; A1161-F1178 HydrophobicContact CB-CD2 4.32Å; A1161-F1178 HydrophobicContact CB-CE2 3.8Å; A1161-F1178 WeakPolarHBondContact O-CE2 3.21Å |
| 1162 | H | 64.8 | Low | 57.7 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 18% | 0.176 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 172.8 | -171.4 | 28.7 | 0 | 0 | 0 | 111.7 | V1158 L1159 N1160 R1165 Q1166 F1178 Y1188 | V1158-H1162 WeakPolarHBondContact O-CB 3.16Å; V1158-H1162 PolarHBondContact O-N 3.23Å; L1159-H1162 PolarHBondContact O-N 3.01Å; N1160-H1162 VanDerWaalsContact C-N 3.3Å; N1160-H1162 PolarHBondContact O-N 3.38Å; H1162-R1165 WeakPolarHBondContact O-CB 3.49Å; H1162-R1165 PolarHBondContact O-N 3.39Å; H1162-Q1166 PolarHBondContact CD2-NE2 3.24Å; H1162-Q1166 PolarHBondContact CE1-NE2 3.44Å; H1162-Q1166 PolarHBondContact NE2-NE2 3.12Å; H1162-Q1166 VanDerWaalsContact O-CG 3.31Å; H1162-Q1166 WeakPolarHBondContact O-CG 3.35Å; H1162-Q1166 PolarHBondContact O-N 3.4Å; H1162-F1178 HydrophobicContact CB-CZ 4Å; H1162-Y1188 HydrophobicContact CB-CE2 4.24Å; H1162-Y1188 PolarHBondContact CE1-OH 3.38Å; H1162-Y1188 PolarHBondContact ND1-OH 3.44Å |
| 1163 | H | 63.5 | Low | 58.1 | Low | 104 Ų | 104 | 76.7 Ų | 76.7 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 177.4 | -168.5 | -96.1 | 0 | 0 | 0 | 112.4 | L1159 N1160 R1165 Q1166 L1167 | L1159-H1163 WeakPolarHBondContact O-CB 3.3Å; L1159-H1163 PolarHBondContact O-N 3.06Å; N1160-H1163 PolarHBondContact O-N 3.31Å; H1163-R1165 VanDerWaalsContact C-N 3.28Å; H1163-R1165 PolarHBondContact O-N 3.44Å; H1163-Q1166 PolarHBondContact O-N 3.04Å; H1163-Q1166 VanDerWaalsContact O-N 3.15Å; H1163-L1167 WeakPolarHBondContact O-CG 3.46Å; H1163-L1167 PolarHBondContact O-N 3.17Å |
| 1164 | E | 64.1 | Low | 58.5 | Low | 53 Ų | 53 | 77.3 Ų | 77.3 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -52.7 | -46.2 | 169 | -81.7 | -177.3 | -156.1 | 0 | 0 | 110.9 | N1160 L1167 G1168 Y1169 S1170 | N1160-E1164 WeakPolarHBondContact O-CB 3.41Å; N1160-E1164 WeakPolarHBondContact O-CG 3.45Å; N1160-E1164 PolarHBondContact O-N 3.37Å; E1164-L1167 PolarHBondContact O-N 2.82Å; E1164-G1168 PolarHBondContact O-N 2.85Å; E1164-Y1169 WeakPolarHBondContact CA-O 3.18Å; E1164-Y1169 VanDerWaalsContact CB-O 3.26Å; E1164-Y1169 WeakPolarHBondContact CB-O 3.27Å; E1164-Y1169 WeakPolarHBondContact CG-O 3.4Å; E1164-Y1169 CarbonylContact O-C 3.59Å; E1164-Y1169 VanDerWaalsContact O-C 3.25Å; E1164-Y1169 PolarHBondContact O-N 3.13Å; E1164-S1170 WeakPolarHBondContact OE2-CA 3.42Å; E1164-S1170 VanDerWaalsContact OE2-CB 3.27Å; E1164-S1170 WeakPolarHBondContact OE2-CB 3.18Å; E1164-S1170 PolarHBondContact OE2-OG 3.4Å |
| 1165 | R | 62.3 | Low | 58.9 | Low | 83 Ų | 83 | 75.4 Ų | 75.4 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 174.9 | 175.4 | -178.1 | 177.5 | 113 | -4.6 | 113.1 | A1161 H1162 H1163 L1167 G1168 P1175 F1178 C1179 M1183 | A1161-R1165 PolarHBondContact O-N 3.05Å; A1161-R1165 VanDerWaalsContact O-N 3.13Å; H1162-R1165 WeakPolarHBondContact O-CB 3.49Å; H1162-R1165 PolarHBondContact O-N 3.39Å; H1163-R1165 VanDerWaalsContact C-N 3.28Å; H1163-R1165 PolarHBondContact O-N 3.44Å; R1165-L1167 VanDerWaalsContact C-N 3.25Å; R1165-L1167 PolarHBondContact O-N 3.29Å; R1165-G1168 PolarHBondContact O-N 2.91Å; R1165-P1175 PolarHBondContact NH1-O 3.23Å; R1165-F1178 VanDerWaalsContact CD-CE1 3.4Å; R1165-C1179 PolarHBondContact NH1-SG 2.9Å; R1165-C1179 PolarHBondContact NH2-SG 3.23Å; R1165-M1183 PolarHBondContact NH2-SD 2.88Å; R1165-M1183 VanDerWaalsContact NH2-SD 3.44Å |
| 1166 | Q | 57.3 | Low | 58.7 | Low | 45 Ų | 45 | 75 Ų | 75 | 21% | 0.21 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 178.2 | -71.1 | 166.4 | 8 | 0 | 0 | 111.7 | H1162 H1163 G1168 M1195 | H1162-Q1166 PolarHBondContact CD2-NE2 3.24Å; H1162-Q1166 PolarHBondContact CE1-NE2 3.44Å; H1162-Q1166 PolarHBondContact NE2-NE2 3.12Å; H1162-Q1166 VanDerWaalsContact O-CG 3.31Å; H1162-Q1166 WeakPolarHBondContact O-CG 3.35Å; H1162-Q1166 PolarHBondContact O-N 3.4Å; H1163-Q1166 PolarHBondContact O-N 3.04Å; H1163-Q1166 VanDerWaalsContact O-N 3.15Å; Q1166-G1168 PolarHBondContact O-N 3.21Å; Q1166-M1195 HydrophobicContact CG-CE 4.41Å; Q1166-M1195 VanDerWaalsContact NE2-CE 3.31Å; Q1166-M1195 PolarHBondContact NE2-SD 3.22Å; Q1166-M1195 VanDerWaalsContact NE2-SD 3.39Å |
| 1167 | L | 56.4 | Low | 58.7 | Low | 104 Ų | 104 | 76.5 Ų | 76.5 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -2 | 174 | -65.3 | 175.4 | 0 | 0 | 0 | 113.9 | H1163 E1164 R1165 Y1169 | H1163-L1167 WeakPolarHBondContact O-CG 3.46Å; H1163-L1167 PolarHBondContact O-N 3.17Å; E1164-L1167 PolarHBondContact O-N 2.82Å; R1165-L1167 VanDerWaalsContact C-N 3.25Å; R1165-L1167 PolarHBondContact O-N 3.29Å; L1167-Y1169 PolarHBondContact O-N 3.2Å |
| 1168 | G | 51.6 | Low | 58.6 | Low | 58 Ų | 58 | 72.8 Ų | 72.8 | 60% | 0.598 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 2.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1164 R1165 Q1166 | E1164-G1168 PolarHBondContact O-N 2.85Å; R1165-G1168 PolarHBondContact O-N 2.91Å; Q1166-G1168 PolarHBondContact O-N 3.21Å |
| 1169 | Y | 50.7 | Low | 58.3 | Low | 132 Ų | 132 | 74.4 Ų | 74.4 | 52% | 0.518 | 40% | 0.399 | S | S | . | . | trans | -120 | 82.5 | -167.7 | -95.1 | -72 | 0 | 0 | 0 | 112 | D212 E1164 L1167 | D212-Y1169 WeakPolarHBondContact OD1-CE1 3.35Å; D212-Y1169 VanDerWaalsContact OD1-CZ 3.24Å; D212-Y1169 PolarHBondContact OD1-OH 3.21Å; E1164-Y1169 WeakPolarHBondContact CA-O 3.18Å; E1164-Y1169 VanDerWaalsContact CB-O 3.26Å; E1164-Y1169 WeakPolarHBondContact CB-O 3.27Å; E1164-Y1169 WeakPolarHBondContact CG-O 3.4Å; E1164-Y1169 CarbonylContact O-C 3.59Å; E1164-Y1169 VanDerWaalsContact O-C 3.25Å; E1164-Y1169 PolarHBondContact O-N 3.13Å; L1167-Y1169 PolarHBondContact O-N 3.2Å | ||
| 1170 | S | 55.2 | Low | 58 | Low | 33 Ų | 33 | 73.3 Ų | 73.3 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | trans | -116.1 | 100.7 | 158.6 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | E1164 R1172 I1173 | E1164-S1170 WeakPolarHBondContact OE2-CA 3.42Å; E1164-S1170 VanDerWaalsContact OE2-CB 3.27Å; E1164-S1170 WeakPolarHBondContact OE2-CB 3.18Å; E1164-S1170 PolarHBondContact OE2-OG 3.4Å; S1170-R1172 PolarHBondContact O-N 2.98Å; S1170-I1173 PolarHBondContact OG-N 3.09Å; S1170-I1173 VanDerWaalsContact OG-N 3.11Å | ||
| 1171 | A | 51.5 | Low | 57.6 | Low | 87 Ų | 87 | 70.3 Ų | 70.3 | 72% | 0.719 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -74.2 | -1.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1172 | R | 57.6 | Low | 57.5 | Low | 218 Ų | 218 | 70.2 Ų | 70.2 | 82% | 0.823 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -115.6 | -25.6 | -173.7 | -65.8 | -179.2 | 177.6 | -174 | 0.3 | 113.8 | S1170 | S1170-R1172 PolarHBondContact O-N 2.98Š|
| 1173 | I | 60.5 | Low | 57.3 | Low | 23 Ų | 23 | 69.3 Ų | 69.3 | 12% | 0.118 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -132.1 | 116.7 | -175.3 | -54 | 178.9 | 0 | 0 | 0 | 109.3 | L1156 A1161 S1170 Y1177 F1178 | L1156-I1173 HydrophobicContact CD1-CD1 3.64Å; L1156-I1173 HydrophobicContact CD2-CD1 4.5Å; A1161-I1173 HydrophobicContact CB-CD1 3.88Å; S1170-I1173 PolarHBondContact OG-N 3.09Å; S1170-I1173 VanDerWaalsContact OG-N 3.11Å; I1173-Y1177 HydrophobicContact CG2-CD1 3.8Å; I1173-Y1177 HydrophobicContact CG2-CG 4.42Å; I1173-F1178 HydrophobicContact CG2-CB 4.15Å |
| 1174 | P | 58.5 | Low | 56.9 | Low | 75 Ų | 75 | 65.9 Ų | 65.9 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | trans | -55.3 | 137.2 | 173.8 | -26.1 | 34.9 | 0 | 0 | 0 | 111.3 | S1176 Y1177 F1178 | P1174-S1176 PolarHBondContact O-N 3.23Å; P1174-Y1177 WeakPolarHBondContact O-CA 3.17Å; P1174-Y1177 WeakPolarHBondContact O-CB 3.42Å; P1174-Y1177 PolarHBondContact O-N 3.04Å; P1174-F1178 PolarHBondContact O-N 2.87Å | ||
| 1175 | P | 53.1 | Low | 56.7 | Low | 97 Ų | 97 | 64.7 Ų | 64.7 | 63% | 0.63 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -54.8 | -31.3 | 179.7 | -29.4 | 35.9 | 0 | 0 | 0 | 113.7 | R1165 C1179 | R1165-P1175 PolarHBondContact NH1-O 3.23Å; P1175-C1179 PolarHBondContact O-N 2.98Å; P1175-C1179 PolarHBondContact O-SG 3.43Å |
| 1176 | S | 51.5 | Low | 56.6 | Low | 75 Ų | 75 | 65.8 Ų | 65.8 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 172.3 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | P1174 C1179 N1180 | P1174-S1176 PolarHBondContact O-N 3.23Å; S1176-C1179 PolarHBondContact O-N 2.67Å; S1176-N1180 VanDerWaalsContact O-CB 3.24Å; S1176-N1180 WeakPolarHBondContact O-CB 3.26Å; S1176-N1180 PolarHBondContact O-N 2.61Å; S1176-N1180 PolarHBondContact O-ND2 2.83Å; S1176-N1180 PolarHBondContact O-OD1 2.97Å |
| 1177 | Y | 59.4 | Low | 56.6 | Low | 76 Ų | 76 | 67 Ų | 67 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 174.4 | -169.5 | -89.4 | 0 | 0 | 0 | 110.9 | Q1150 I1173 P1174 N1180 T1181 | Q1150-Y1177 PolarHBondContact OE1-OH 3.26Å; I1173-Y1177 HydrophobicContact CG2-CD1 3.8Å; I1173-Y1177 HydrophobicContact CG2-CG 4.42Å; P1174-Y1177 WeakPolarHBondContact O-CA 3.17Å; P1174-Y1177 WeakPolarHBondContact O-CB 3.42Å; P1174-Y1177 PolarHBondContact O-N 3.04Å; Y1177-N1180 PolarHBondContact O-N 2.89Å; Y1177-T1181 HydrophobicContact CE1-CG2 4.06Å; Y1177-T1181 HydrophobicContact CE2-CG2 4.3Å; Y1177-T1181 WeakPolarHBondContact O-CB 3.44Å; Y1177-T1181 PolarHBondContact O-N 2.82Å |
| 1178 | F | 62.2 | Low | 56.8 | Low | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -61.6 | -47.2 | 173.9 | -165.6 | -76.8 | 0 | 0 | 0 | 111.6 | A1161 H1162 R1165 I1173 P1174 V1182 M1183 Y1188 | A1161-F1178 VanDerWaalsContact C-CE2 3.44Å; A1161-F1178 HydrophobicContact CB-CD2 4.32Å; A1161-F1178 HydrophobicContact CB-CE2 3.8Å; A1161-F1178 WeakPolarHBondContact O-CE2 3.21Å; H1162-F1178 HydrophobicContact CB-CZ 4Å; R1165-F1178 VanDerWaalsContact CD-CE1 3.4Å; I1173-F1178 HydrophobicContact CG2-CB 4.15Å; P1174-F1178 PolarHBondContact O-N 2.87Å; F1178-V1182 HydrophobicContact CD1-CB 4.26Å; F1178-V1182 HydrophobicContact CD2-CB 3.94Å; F1178-V1182 HydrophobicContact CD2-CG1 4.08Å; F1178-V1182 HydrophobicContact CD2-CG2 4.04Å; F1178-V1182 HydrophobicContact CE1-CB 4.39Å; F1178-V1182 HydrophobicContact CE1-CG1 4.31Å; F1178-V1182 HydrophobicContact CE2-CB 4.04Å; F1178-V1182 HydrophobicContact CE2-CG1 3.66Å; F1178-V1182 HydrophobicContact CE2-CG2 4.42Å; F1178-V1182 HydrophobicContact CG-CB 4.06Å; F1178-V1182 HydrophobicContact CG-CG2 4.36Å; F1178-V1182 HydrophobicContact CZ-CB 4.27Å; F1178-V1182 HydrophobicContact CZ-CG1 3.79Å; F1178-V1182 WeakPolarHBondContact O-CA 3.46Å; F1178-V1182 WeakPolarHBondContact O-CB 3.39Å; F1178-V1182 PolarHBondContact O-N 3.32Å; F1178-M1183 HydrophobicContact CD1-CG 3.47Å; F1178-M1183 VanDerWaalsContact CD1-CG 3.47Å; F1178-M1183 HydrophobicContact CD1-SD 3.86Å; F1178-M1183 HydrophobicContact CE1-CG 3.37Å; F1178-M1183 HydrophobicContact CE1-SD 3.99Å; F1178-M1183 PolarHBondContact O-N 3Å; F1178-Y1188 HydrophobicContact CE1-CE2 4.15Å; F1178-Y1188 AromaticContact CZ-CE2 3.79Å; F1178-Y1188 HydrophobicContact CZ-CE2 3.79Å |
| 1179 | C | 56.7 | Low | 57.4 | Low | 51 Ų | 51 | 62 Ų | 62 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -56.9 | -52.1 | 173.8 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | R1165 P1175 S1176 | R1165-C1179 PolarHBondContact NH1-SG 2.9Å; R1165-C1179 PolarHBondContact NH2-SG 3.23Å; P1175-C1179 PolarHBondContact O-N 2.98Å; P1175-C1179 PolarHBondContact O-SG 3.43Å; S1176-C1179 PolarHBondContact O-N 2.67Å |
| 1180 | N | 54 | Low | 58 | Low | 86 Ų | 86 | 61.6 Ų | 61.6 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | I | π-helix | trans | -81.3 | -20.8 | -166.4 | -62.5 | -10.1 | 0 | 0 | 0 | 113.9 | S1176 Y1177 | S1176-N1180 VanDerWaalsContact O-CB 3.24Å; S1176-N1180 WeakPolarHBondContact O-CB 3.26Å; S1176-N1180 PolarHBondContact O-N 2.61Å; S1176-N1180 PolarHBondContact O-ND2 2.83Å; S1176-N1180 PolarHBondContact O-OD1 2.97Å; Y1177-N1180 PolarHBondContact O-N 2.89Å |
| 1181 | T | 55.8 | Low | 58.4 | Low | 32 Ų | 32 | 66.3 Ų | 66.3 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -131.7 | -25.9 | -168.9 | -47.5 | 0 | 0 | 0 | 0 | 113.7 | Q1150 Y1177 | Q1150-T1181 HydrophobicContact CB-CG2 4.27Å; Y1177-T1181 HydrophobicContact CE1-CG2 4.06Å; Y1177-T1181 HydrophobicContact CE2-CG2 4.3Å; Y1177-T1181 WeakPolarHBondContact O-CB 3.44Å; Y1177-T1181 PolarHBondContact O-N 2.82Å |
| 1182 | V | 61.6 | Low | 59 | Low | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -97.6 | -47.8 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | L1152 L1156 V1158 F1178 G1184 N1185 Y1188 | L1152-V1182 HydrophobicContact CD2-CG2 4.33Å; L1156-V1182 HydrophobicContact CD2-CG2 4.4Å; V1158-V1182 HydrophobicContact CG1-CG1 4.3Å; F1178-V1182 HydrophobicContact CD1-CB 4.26Å; F1178-V1182 HydrophobicContact CD2-CB 3.94Å; F1178-V1182 HydrophobicContact CD2-CG1 4.08Å; F1178-V1182 HydrophobicContact CD2-CG2 4.04Å; F1178-V1182 HydrophobicContact CE1-CB 4.39Å; F1178-V1182 HydrophobicContact CE1-CG1 4.31Å; F1178-V1182 HydrophobicContact CE2-CB 4.04Å; F1178-V1182 HydrophobicContact CE2-CG1 3.66Å; F1178-V1182 HydrophobicContact CE2-CG2 4.42Å; F1178-V1182 HydrophobicContact CG-CB 4.06Å; F1178-V1182 HydrophobicContact CG-CG2 4.36Å; F1178-V1182 HydrophobicContact CZ-CB 4.27Å; F1178-V1182 HydrophobicContact CZ-CG1 3.79Å; F1178-V1182 WeakPolarHBondContact O-CA 3.46Å; F1178-V1182 WeakPolarHBondContact O-CB 3.39Å; F1178-V1182 PolarHBondContact O-N 3.32Å; V1182-G1184 PolarHBondContact O-N 2.69Å; V1182-N1185 VanDerWaalsContact O-CB 3.25Å; V1182-N1185 WeakPolarHBondContact O-CB 3.24Å; V1182-N1185 PolarHBondContact O-N 3.06Å; V1182-N1185 VanDerWaalsContact O-N 3.17Å; V1182-Y1188 HydrophobicContact CG1-CD2 3.9Å; V1182-Y1188 HydrophobicContact CG1-CE2 4.4Å; V1182-Y1188 WeakPolarHBondContact O-CB 3.41Å |
| 1183 | M | 60.4 | Low | 59.4 | Low | 20 Ų | 20 | 63.8 Ų | 63.8 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -67.6 | -35.3 | -174.8 | -64.5 | -178.3 | 94.6 | 0 | 0 | 113.7 | F1002 R1165 F1178 N1185 Y1188 | F1002-M1183 HydrophobicContact CB-CE 3.92Å; F1002-M1183 HydrophobicContact CD2-CB 4.26Å; F1002-M1183 HydrophobicContact CD2-CE 4.48Å; F1002-M1183 HydrophobicContact CG-CE 4.05Å; R1165-M1183 PolarHBondContact NH2-SD 2.88Å; R1165-M1183 VanDerWaalsContact NH2-SD 3.44Å; F1178-M1183 HydrophobicContact CD1-CG 3.47Å; F1178-M1183 VanDerWaalsContact CD1-CG 3.47Å; F1178-M1183 HydrophobicContact CD1-SD 3.86Å; F1178-M1183 HydrophobicContact CE1-CG 3.37Å; F1178-M1183 HydrophobicContact CE1-SD 3.99Å; F1178-M1183 PolarHBondContact O-N 3Å; M1183-N1185 PolarHBondContact O-N 3.4Å; M1183-Y1188 HydrophobicContact CB-CE1 4.31Å; M1183-Y1188 HydrophobicContact CG-CE1 4.31Å; M1183-Y1188 WeakPolarHBondContact O-CD1 3.43Å |
| 1184 | G | 54.5 | Low | 60.2 | Low | 31 Ų | 31 | 68.2 Ų | 68.2 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 8.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1182 | V1182-G1184 PolarHBondContact O-N 2.69Š|
| 1185 | N | 60 | Low | 60.7 | Low | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.15 | 36% | 0.359 | C | S | . | . | trans | -84.7 | 129.9 | -179.7 | -166.9 | -62.6 | 0 | 0 | 0 | 110.6 | V1182 M1183 D1187 Y1188 V1189 | V1182-N1185 VanDerWaalsContact O-CB 3.25Å; V1182-N1185 WeakPolarHBondContact O-CB 3.24Å; V1182-N1185 PolarHBondContact O-N 3.06Å; V1182-N1185 VanDerWaalsContact O-N 3.17Å; M1183-N1185 PolarHBondContact O-N 3.4Å; N1185-D1187 PolarHBondContact O-N 3.32Å; N1185-D1187 VanDerWaalsContact O-N 3.17Å; N1185-D1187 WeakPolarHBondContact OD1-CB 3.41Å; N1185-D1187 PolarHBondContact OD1-N 2.84Å; N1185-Y1188 WeakPolarHBondContact O-CA 3.46Å; N1185-Y1188 WeakPolarHBondContact O-CB 3.3Å; N1185-Y1188 PolarHBondContact O-N 3.41Å; N1185-V1189 PolarHBondContact O-N 3.46Å | ||
| 1186 | L | 60.3 | Low | 61.9 | Low | 106 Ų | 106 | 66.7 Ų | 66.7 | 56% | 0.555 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56.3 | -35.1 | -179.8 | -176.6 | 61.9 | 0 | 0 | 0 | 112.7 | Y1188 V1189 K1190 | L1186-Y1188 VanDerWaalsContact C-N 3.3Å; L1186-Y1188 PolarHBondContact O-N 3.08Å; L1186-V1189 PolarHBondContact O-N 3.21Å; L1186-K1190 HydrophobicContact CD1-CD 4.45Å; L1186-K1190 HydrophobicContact CD1-CG 4.3Å; L1186-K1190 HydrophobicContact CG-CD 4.14Å; L1186-K1190 HydrophobicContact CG-CG 4.42Å; L1186-K1190 VanDerWaalsContact O-CB 3.29Å; L1186-K1190 WeakPolarHBondContact O-CB 3.44Å; L1186-K1190 VanDerWaalsContact O-CG 3.27Å; L1186-K1190 WeakPolarHBondContact O-CG 3.2Å; L1186-K1190 PolarHBondContact O-N 3.31Å |
| 1187 | D | 58 | Low | 63.6 | Low | 72 Ų | 72 | 71.2 Ų | 71.2 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.8 | -20 | 177.7 | -113.6 | 46.3 | 0 | 0 | 0 | 113.2 | N1185 R1191 | N1185-D1187 PolarHBondContact O-N 3.32Å; N1185-D1187 VanDerWaalsContact O-N 3.17Å; N1185-D1187 WeakPolarHBondContact OD1-CB 3.41Å; N1185-D1187 PolarHBondContact OD1-N 2.84Å; D1187-R1191 WeakPolarHBondContact O-CD 3.29Å; D1187-R1191 WeakPolarHBondContact O-CG 3.45Å; D1187-R1191 PolarHBondContact O-NE 2.88Å; D1187-R1191 IonicContact OD2-CZ 3.18Å; D1187-R1191 IonicContact OD2-NE 3.88Å; D1187-R1191 IonicContact OD2-NH2 2.92Å; D1187-R1191 PolarHBondContact OD2-NH2 3.49Å |
| 1188 | Y | 60.6 | Low | 64.9 | Low | 11 Ų | 11 | 70.3 Ų | 70.3 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79.8 | -49 | 169.3 | 172.9 | -88.2 | 0 | 0 | 0 | 110.2 | V1158 H1162 F1178 V1182 M1183 N1185 L1186 K1190 R1191 L1192 | V1158-Y1188 HydrophobicContact CG1-CD2 3.6Å; V1158-Y1188 HydrophobicContact CG1-CE2 4.46Å; V1158-Y1188 HydrophobicContact CG1-CG 4.44Å; H1162-Y1188 HydrophobicContact CB-CE2 4.24Å; H1162-Y1188 PolarHBondContact CE1-OH 3.38Å; H1162-Y1188 PolarHBondContact ND1-OH 3.44Å; F1178-Y1188 HydrophobicContact CE1-CE2 4.15Å; F1178-Y1188 AromaticContact CZ-CE2 3.79Å; F1178-Y1188 HydrophobicContact CZ-CE2 3.79Å; V1182-Y1188 HydrophobicContact CG1-CD2 3.9Å; V1182-Y1188 HydrophobicContact CG1-CE2 4.4Å; V1182-Y1188 WeakPolarHBondContact O-CB 3.41Å; M1183-Y1188 HydrophobicContact CB-CE1 4.31Å; M1183-Y1188 HydrophobicContact CG-CE1 4.31Å; M1183-Y1188 WeakPolarHBondContact O-CD1 3.43Å; N1185-Y1188 WeakPolarHBondContact O-CA 3.46Å; N1185-Y1188 WeakPolarHBondContact O-CB 3.3Å; N1185-Y1188 PolarHBondContact O-N 3.41Å; L1186-Y1188 VanDerWaalsContact C-N 3.3Å; L1186-Y1188 PolarHBondContact O-N 3.08Å; Y1188-K1190 VanDerWaalsContact C-N 3.34Å; Y1188-K1190 PolarHBondContact O-N 3.31Å; Y1188-R1191 CarbonylContact O-C 3.5Å; Y1188-R1191 WeakPolarHBondContact O-CA 3.29Å; Y1188-R1191 PolarHBondContact O-N 3.23Å; Y1188-L1192 HydrophobicContact CD1-CD2 4.44Å; Y1188-L1192 HydrophobicContact CE1-CD2 3.81Å; Y1188-L1192 HydrophobicContact CE1-CG 4.46Å; Y1188-L1192 PolarHBondContact O-N 3.27Å |
| 1189 | V | 63.8 | Low | 66.2 | Low | 44 Ų | 44 | 79 Ų | 79 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | N1185 L1186 R1191 L1192 | N1185-V1189 PolarHBondContact O-N 3.46Å; L1186-V1189 PolarHBondContact O-N 3.21Å; V1189-R1191 PolarHBondContact O-N 3.41Å; V1189-R1191 VanDerWaalsContact O-N 3.1Å; V1189-L1192 HydrophobicContact CG1-CD1 4.34Å; V1189-L1192 PolarHBondContact O-N 3.33Å |
| 1190 | K | 62.1 | Low | 67.7 | Low | 124 Ų | 124 | 77.9 Ų | 77.9 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.5 | 173.1 | -76.7 | 179.4 | 174.8 | -176.4 | 0 | 114.7 | L1186 Y1188 | L1186-K1190 HydrophobicContact CD1-CD 4.45Å; L1186-K1190 HydrophobicContact CD1-CG 4.3Å; L1186-K1190 HydrophobicContact CG-CD 4.14Å; L1186-K1190 HydrophobicContact CG-CG 4.42Å; L1186-K1190 VanDerWaalsContact O-CB 3.29Å; L1186-K1190 WeakPolarHBondContact O-CB 3.44Å; L1186-K1190 VanDerWaalsContact O-CG 3.27Å; L1186-K1190 WeakPolarHBondContact O-CG 3.2Å; L1186-K1190 PolarHBondContact O-N 3.31Å; Y1188-K1190 VanDerWaalsContact C-N 3.34Å; Y1188-K1190 PolarHBondContact O-N 3.31Å |
| 1191 | R | 63.9 | Low | 69.5 | Low | 132 Ų | 132 | 75.5 Ų | 75.5 | 50% | 0.498 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 13 | 180 | -62.8 | 174.4 | -157.4 | -128.6 | 4.1 | 113.1 | D1187 Y1188 V1189 E1193 | D1187-R1191 WeakPolarHBondContact O-CD 3.29Å; D1187-R1191 WeakPolarHBondContact O-CG 3.45Å; D1187-R1191 PolarHBondContact O-NE 2.88Å; D1187-R1191 IonicContact OD2-CZ 3.18Å; D1187-R1191 IonicContact OD2-NE 3.88Å; D1187-R1191 IonicContact OD2-NH2 2.92Å; D1187-R1191 PolarHBondContact OD2-NH2 3.49Å; Y1188-R1191 CarbonylContact O-C 3.5Å; Y1188-R1191 WeakPolarHBondContact O-CA 3.29Å; Y1188-R1191 PolarHBondContact O-N 3.23Å; V1189-R1191 PolarHBondContact O-N 3.41Å; V1189-R1191 VanDerWaalsContact O-N 3.1Å; R1191-E1193 PolarHBondContact O-N 3.46Å |
| 1192 | L | 64.7 | Low | 71.2 | Confident | 79 Ų | 79 | 81.6 Ų | 81.6 | 41% | 0.414 | 40% | 0.4 | S | S | . | . | trans | -74.1 | 123.1 | 175 | -68.7 | 173.8 | 0 | 0 | 0 | 110.5 | F1002 Y1188 V1189 | F1002-L1192 HydrophobicContact CZ-CD1 3.86Å; Y1188-L1192 HydrophobicContact CD1-CD2 4.44Å; Y1188-L1192 HydrophobicContact CE1-CD2 3.81Å; Y1188-L1192 HydrophobicContact CE1-CG 4.46Å; Y1188-L1192 PolarHBondContact O-N 3.27Å; V1189-L1192 HydrophobicContact CG1-CD1 4.34Å; V1189-L1192 PolarHBondContact O-N 3.33Å | ||
| 1193 | E | 66 | Low | 72.5 | Confident | 173 Ų | 173 | 83.2 Ų | 83.2 | 81% | 0.808 | 42% | 0.417 | S | S | * | . | trans | -119.2 | 161.6 | 178.8 | -66.9 | -176.7 | -157.3 | 0 | 0 | 111.2 | R1191 M1195 | R1191-E1193 PolarHBondContact O-N 3.46Å; E1193-M1195 PolarHBondContact O-N 2.66Å; E1193-M1195 VanDerWaalsContact O-N 3.09Å | ||
| 1194 | L | 76.8 | Confident | 73.9 | Confident | 117 Ų | 117 | 86.1 Ų | 86.1 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | trans | -74 | 101 | -179 | 179.3 | 64.8 | 0 | 0 | 0 | 111.4 | H1196 K1197 | L1194-H1196 WeakPolarHBondContact CD1-O 3.38Å; L1194-K1197 HydrophobicContact CD2-CD 4.46Å; L1194-K1197 VanDerWaalsContact CD2-CE 3.45Å; L1194-K1197 HydrophobicContact CD2-CG 4.17Å | ||
| 1195 | M | 69.4 | Low | 75.6 | Confident | 78 Ų | 78 | 86.9 Ų | 86.9 | 38% | 0.384 | 44% | 0.437 | S | S | . | . | trans | -69.3 | -52.5 | 177.5 | -66.6 | 179.2 | 62.3 | 0 | 0 | 113.7 | Q1166 E1193 W1231 | Q1166-M1195 HydrophobicContact CG-CE 4.41Å; Q1166-M1195 VanDerWaalsContact NE2-CE 3.31Å; Q1166-M1195 PolarHBondContact NE2-SD 3.22Å; Q1166-M1195 VanDerWaalsContact NE2-SD 3.39Å; E1193-M1195 PolarHBondContact O-N 2.66Å; E1193-M1195 VanDerWaalsContact O-N 3.09Å; M1195-W1231 HydrophobicContact SD-CZ2 4.37Å | ||
| 1196 | H | 78.6 | Confident | 77.1 | Confident | 62 Ų | 62 | 87 Ų | 87 | 29% | 0.287 | 44% | 0.438 | S | S | . | . | trans | -141.4 | 154.5 | -165.8 | -58.7 | -40.8 | 0 | 0 | 0 | 112.3 | L1194 L1198 A1234 | L1194-H1196 WeakPolarHBondContact CD1-O 3.38Å; H1196-L1198 HydrophobicContact CB-CD2 4.46Å; H1196-A1234 HydrophobicContact CB-CB 4.06Å | ||
| 1197 | K | 85.9 | Confident | 78.5 | Confident | 170 Ų | 170 | 82.3 Ų | 82.3 | 74% | 0.739 | 41% | 0.413 | S | S | * | . | trans | -123.6 | 94.6 | 171 | -69 | -172.3 | 178.8 | -175.8 | 0 | 109.5 | L1194 | L1194-K1197 HydrophobicContact CD2-CD 4.46Å; L1194-K1197 VanDerWaalsContact CD2-CE 3.45Å; L1194-K1197 HydrophobicContact CD2-CG 4.17Å | ||
| 1198 | L | 88.5 | Confident | 80.1 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 29% | 0.293 | 41% | 0.408 | S | S | . | . | trans | -76 | 131 | 179.9 | -53.1 | 176.8 | 0 | 0 | 0 | 109.8 | H1196 L1217 W1229 W1231 A1234 | H1196-L1198 HydrophobicContact CB-CD2 4.46Å; L1198-L1217 HydrophobicContact CD1-CD2 3.98Å; L1198-W1229 HydrophobicContact CB-CD2 4.13Å; L1198-W1229 HydrophobicContact CB-CE3 4.07Å; L1198-W1229 HydrophobicContact CB-CH2 4.05Å; L1198-W1229 HydrophobicContact CB-CZ2 4.05Å; L1198-W1229 HydrophobicContact CB-CZ3 4.03Å; L1198-W1229 HydrophobicContact CD1-CB 4.32Å; L1198-W1229 HydrophobicContact CD1-CD2 3.86Å; L1198-W1229 HydrophobicContact CD1-CE3 4.34Å; L1198-W1229 HydrophobicContact CD1-CG 3.81Å; L1198-W1229 HydrophobicContact CD2-CD2 4.23Å; L1198-W1229 HydrophobicContact CD2-CE3 3.87Å; L1198-W1229 HydrophobicContact CD2-CZ3 4.39Å; L1198-W1229 HydrophobicContact CG-CD2 4.28Å; L1198-W1229 HydrophobicContact CG-CE3 4.3Å; L1198-W1231 HydrophobicContact CD1-CE3 4.5Å; L1198-W1231 HydrophobicContact CD1-CZ3 4.19Å; L1198-A1234 HydrophobicContact CD2-CB 3.86Å | ||
| 1199 | K | 89.2 | Confident | 81.5 | Confident | 186 Ų | 186 | 81.7 Ų | 81.7 | 81% | 0.809 | 41% | 0.412 | S | S | * | . | trans | -131 | 126.5 | -179 | -68.9 | -173.6 | 177.1 | -173.6 | 0 | 109.8 | W1229 | K1199-W1229 WeakPolarHBondContact O-CH2 3.24Š| ||
| 1200 | G | 86.7 | Confident | 82.4 | Confident | 28 Ų | 28 | 83.8 Ų | 83.8 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | trans | 170.4 | -18.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1227 K1239 | G1200-I1227 WeakPolarHBondContact O-CD1 3.29Å; G1200-K1239 PolarHBondContact O-NZ 2.75Å | ||
| 1201 | H | 92.5 | Very high | 83.4 | Confident | 36 Ų | 36 | 78.3 Ų | 78.3 | 17% | 0.167 | 39% | 0.394 | C | S | . | . | trans | -82.5 | 151.5 | 169 | -80.1 | -64.4 | 0 | 0 | 0 | 112.2 | V1205 S1219 S1221 D1223 I1227 | H1201-V1205 HydrophobicContact CB-CG2 4.07Å; H1201-S1219 PolarHBondContact CD2-OG 3.45Å; H1201-S1219 VanDerWaalsContact CD2-OG 3.3Å; H1201-S1219 PolarHBondContact NE2-O 3.07Å; H1201-S1219 PolarHBondContact NE2-OG 3.29Å; H1201-S1221 VanDerWaalsContact CE1-CB 3.42Å; H1201-S1221 WeakPolarHBondContact CE1-CB 3.41Å; H1201-S1221 WeakPolarHBondContact ND1-CB 3.32Å; H1201-D1223 WeakPolarHBondContact CA-OD2 3.14Å; H1201-D1223 WeakPolarHBondContact CB-OD2 3.4Å; H1201-D1223 IonicContact CE1-OD1 3.87Å; H1201-D1223 IonicContact CG-OD2 3.44Å; H1201-D1223 IonicContact ND1-OD1 3.84Å; H1201-D1223 PolarHBondContact ND1-OD1 2.78Å; H1201-D1223 IonicContact ND1-OD2 3.21Å; H1201-D1223 PolarHBondContact ND1-OD2 2.83Å; H1201-I1227 HydrophobicContact CB-CD1 4.43Å | ||
| 1202 | E | 91 | Very high | 83.9 | Confident | 161 Ų | 161 | 80.3 Ų | 80.3 | 75% | 0.752 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -109.8 | -1.2 | -176.8 | -72.6 | 157.2 | -113.8 | 0 | 0 | 113.2 | D1223 K1239 | E1202-D1223 HydrophobicContact CB-CB 4.06Å; E1202-D1223 PolarHBondContact N-OD2 2.96Å; E1202-K1239 IonicContact OE1-NZ 3.72Å; E1202-K1239 PolarHBondContact OE1-NZ 3.47Å |
| 1203 | G | 89 | Confident | 84 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -139.9 | -172.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1205 S1221 | G1203-V1205 PolarHBondContact O-N 3.18Å; G1203-S1221 PolarHBondContact O-OG 3.24Å |
| 1204 | C | 89.5 | Confident | 84.3 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 54% | 0.541 | 39% | 0.387 | S | S | . | . | trans | -56.8 | 138 | 176 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | S1221 D1222 | C1204-S1221 CarbonylContact O-C 3.54Å; C1204-S1221 WeakPolarHBondContact O-CA 3.43Å; C1204-S1221 VanDerWaalsContact O-CB 3.3Å; C1204-S1221 WeakPolarHBondContact O-CB 3.19Å; C1204-S1221 PolarHBondContact O-OG 2.87Å; C1204-D1222 HydrophobicContact CB-CB 4.49Å; C1204-D1222 WeakPolarHBondContact CB-OD2 3.33Å; C1204-D1222 PolarHBondContact O-N 3.12Å | ||
| 1205 | V | 91.8 | Very high | 84.4 | Confident | 47 Ų | 47 | 70 Ų | 70 | 29% | 0.285 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.6 | 169.7 | 179 | 0 | 0 | 0 | 0 | 107.2 | L1007 H1201 G1203 S1207 L1208 | L1007-V1205 WeakPolarHBondContact CD1-O 3.28Å; H1201-V1205 HydrophobicContact CB-CG2 4.07Å; G1203-V1205 PolarHBondContact O-N 3.18Å; V1205-S1207 WeakPolarHBondContact CG1-O 3.39Å; V1205-L1208 HydrophobicContact CG1-CD2 4.03Å; V1205-L1208 HydrophobicContact CG1-CG 4.35Å |
| 1206 | N | 91.1 | Very high | 85.1 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 17% | 0.171 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -20.2 | -178.7 | -53.9 | -50 | 0 | 0 | 0 | 112 | G1220 D1222 V1248 | N1206-G1220 PolarHBondContact N-O 2.86Å; N1206-D1222 PolarHBondContact ND2-OD1 3.12Å; N1206-V1248 WeakPolarHBondContact CB-O 3.43Å; N1206-V1248 PolarHBondContact ND2-O 2.84Å |
| 1207 | S | 90.2 | Very high | 85.7 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 142 | -173.3 | -151.4 | 0 | 0 | 0 | 0 | 113.2 | V1205 S1219 G1220 Q1250 S1251 | V1205-S1207 WeakPolarHBondContact CG1-O 3.39Å; S1207-S1219 VanDerWaalsContact O-CA 3.26Å; S1207-S1219 WeakPolarHBondContact O-CA 3.36Å; S1207-G1220 PolarHBondContact N-O 3.24Å; S1207-G1220 PolarHBondContact O-N 2.96Å; S1207-Q1250 WeakPolarHBondContact OG-CA 3.49Å; S1207-Q1250 VanDerWaalsContact OG-CG 3.24Å; S1207-Q1250 WeakPolarHBondContact OG-CG 3.09Å; S1207-S1251 PolarHBondContact OG-N 3.44Å |
| 1208 | L | 91.5 | Very high | 86 | Confident | 52 Ų | 52 | 58.9 Ų | 58.9 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 123.4 | 173.7 | -67.2 | 175.5 | 0 | 0 | 0 | 108.6 | I1005 L1007 V1205 L1217 A1218 | I1005-L1208 HydrophobicContact CB-CD1 4.32Å; I1005-L1208 HydrophobicContact CD1-CD1 3.72Å; I1005-L1208 HydrophobicContact CG2-CD1 4.49Å; L1007-L1208 HydrophobicContact CD1-CD1 4.16Å; L1007-L1208 HydrophobicContact CD1-CG 4.16Å; V1205-L1208 HydrophobicContact CG1-CD2 4.03Å; V1205-L1208 HydrophobicContact CG1-CG 4.35Å; L1208-L1217 HydrophobicContact CB-CD1 4.2Å; L1208-L1217 HydrophobicContact CD2-CD1 4.24Å; L1208-L1217 HydrophobicContact CD2-CD2 4.34Å; L1208-L1217 HydrophobicContact CD2-CG 4.47Å; L1208-A1218 CarbonylContact C-O 3.46Å; L1208-A1218 WeakPolarHBondContact CA-O 3.23Å |
| 1209 | S | 88.5 | Confident | 86.2 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 117.4 | 176 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | A1218 S1251 F1253 | S1209-A1218 PolarHBondContact N-O 3.45Å; S1209-A1218 PolarHBondContact O-N 3.29Å; S1209-S1251 WeakPolarHBondContact CB-O 3.3Å; S1209-F1253 WeakPolarHBondContact O-CE2 3.29Å |
| 1210 | F | 84.5 | Confident | 86.4 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 39% | 0.386 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 155.3 | 165.9 | -78.2 | -83.3 | 0 | 0 | 0 | 111.3 | R1216 L1217 W1231 | F1210-R1216 CarbonylContact C-O 3.49Å; F1210-R1216 WeakPolarHBondContact CA-O 3.17Å; F1210-L1217 HydrophobicContact CD1-CB 4.18Å; F1210-L1217 HydrophobicContact CD1-CD1 4.42Å; F1210-L1217 HydrophobicContact CD2-CD1 4.03Å; F1210-L1217 HydrophobicContact CE1-CB 3.99Å; F1210-L1217 HydrophobicContact CE1-CD1 4.39Å; F1210-L1217 HydrophobicContact CE2-CD1 4Å; F1210-L1217 HydrophobicContact CG-CD1 4.25Å; F1210-L1217 HydrophobicContact CZ-CB 4.42Å; F1210-L1217 HydrophobicContact CZ-CD1 4.18Å; F1210-L1217 HydrophobicContact CZ-CD2 4.25Å; F1210-W1231 HydrophobicContact CE1-CB 4.12Å; F1210-W1231 AromaticContact CE1-CD2 3.66Å; F1210-W1231 HydrophobicContact CE1-CD2 3.66Å; F1210-W1231 AromaticContact CE1-CE3 4Å; F1210-W1231 HydrophobicContact CE1-CE3 4Å; F1210-W1231 AromaticContact CE1-CG 3.69Å; F1210-W1231 HydrophobicContact CE1-CG 3.69Å; F1210-W1231 AromaticContact CZ-CD2 3.81Å; F1210-W1231 HydrophobicContact CZ-CD2 3.81Å; F1210-W1231 AromaticContact CZ-CE2 3.97Å; F1210-W1231 AromaticContact CZ-CE3 3.91Å; F1210-W1231 HydrophobicContact CZ-CE3 3.91Å; F1210-W1231 HydrophobicContact CZ-CG 4.32Å; F1210-W1231 HydrophobicContact CZ-CH2 4.34Å; F1210-W1231 HydrophobicContact CZ-CZ2 4.24Å; F1210-W1231 HydrophobicContact CZ-CZ3 4.17Å |
| 1211 | N | 81.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | trans | -75.3 | 172 | 164.1 | 68.4 | -14.2 | 0 | 0 | 0 | 111.5 | S1213 G1214 T1215 R1216 F1253 D1259 | N1211-S1213 PolarHBondContact ND2-OG 3.49Å; N1211-S1213 PolarHBondContact O-N 3.02Å; N1211-S1213 PolarHBondContact OD1-OG 2.92Å; N1211-G1214 PolarHBondContact O-N 3.41Å; N1211-G1214 VanDerWaalsContact O-N 3.12Å; N1211-G1214 VanDerWaalsContact OD1-C 3.32Å; N1211-G1214 VanDerWaalsContact OD1-CA 3.3Å; N1211-G1214 WeakPolarHBondContact OD1-CA 3.32Å; N1211-G1214 PolarHBondContact OD1-N 3.03Å; N1211-T1215 PolarHBondContact ND2-OG1 2.82Å; N1211-T1215 PolarHBondContact OD1-N 2.94Å; N1211-R1216 HydrophobicContact CB-CB 4.23Å; N1211-R1216 VanDerWaalsContact CG-N 3.31Å; N1211-R1216 PolarHBondContact N-O 3.47Å; N1211-R1216 WeakPolarHBondContact ND2-CB 3.06Å; N1211-R1216 PolarHBondContact ND2-N 3.13Å; N1211-R1216 PolarHBondContact OD1-N 3.29Å; N1211-R1216 PolarHBondContact OD1-O 3.1Å; N1211-F1253 HydrophobicContact CB-CD2 3.94Å; N1211-F1253 HydrophobicContact CB-CE2 3.96Å; N1211-F1253 HydrophobicContact CB-CG 4.28Å; N1211-F1253 HydrophobicContact CB-CZ 4.34Å; N1211-D1259 WeakPolarHBondContact CB-OD1 3.19Å; N1211-D1259 WeakPolarHBondContact CB-OD2 3.25Å; N1211-D1259 PolarHBondContact ND2-OD2 2.71Å | ||
| 1212 | K | 74.9 | Confident | 86.9 | Confident | 173 Ų | 173 | 46.8 Ų | 46.8 | 75% | 0.752 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.2 | -174 | -169.9 | 169 | -179.5 | 172.6 | 0 | 114 | ||
| 1213 | S | 67.4 | Low | 87 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 49% | 0.49 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -13.2 | 175.5 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | N1211 T1215 | N1211-S1213 PolarHBondContact ND2-OG 3.49Å; N1211-S1213 PolarHBondContact O-N 3.02Å; N1211-S1213 PolarHBondContact OD1-OG 2.92Å; S1213-T1215 VanDerWaalsContact C-N 3.26Å; S1213-T1215 PolarHBondContact O-N 3.5Å; S1213-T1215 PolarHBondContact OG-OG1 3.39Å |
| 1214 | G | 71.6 | Confident | 87.3 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 33% | 0.33 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 75.5 | 5.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1211 | N1211-G1214 PolarHBondContact O-N 3.41Å; N1211-G1214 VanDerWaalsContact O-N 3.12Å; N1211-G1214 VanDerWaalsContact OD1-C 3.32Å; N1211-G1214 VanDerWaalsContact OD1-CA 3.3Å; N1211-G1214 WeakPolarHBondContact OD1-CA 3.32Å; N1211-G1214 PolarHBondContact OD1-N 3.03Å |
| 1215 | T | 78.5 | Confident | 87.6 | Confident | 51 Ų | 51 | 37.7 Ų | 37.7 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -82.3 | -22.4 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | N1211 S1213 W1231 P1232 | N1211-T1215 PolarHBondContact ND2-OG1 2.82Å; N1211-T1215 PolarHBondContact OD1-N 2.94Å; S1213-T1215 VanDerWaalsContact C-N 3.26Å; S1213-T1215 PolarHBondContact O-N 3.5Å; S1213-T1215 PolarHBondContact OG-OG1 3.39Å; T1215-W1231 WeakPolarHBondContact O-CB 3.4Å; T1215-W1231 PolarHBondContact O-N 2.95Å; T1215-P1232 WeakPolarHBondContact O-CD 3.4Å |
| 1216 | R | 85.6 | Confident | 87.7 | Confident | 69 Ų | 69 | 35.5 Ų | 35.5 | 26% | 0.26 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144 | 179.3 | -63.5 | 176.6 | 171.2 | 179.1 | -4.7 | 111.2 | F1210 N1211 V1228 W1229 L1237 F1253 | F1210-R1216 CarbonylContact C-O 3.49Å; F1210-R1216 WeakPolarHBondContact CA-O 3.17Å; N1211-R1216 HydrophobicContact CB-CB 4.23Å; N1211-R1216 VanDerWaalsContact CG-N 3.31Å; N1211-R1216 PolarHBondContact N-O 3.47Å; N1211-R1216 WeakPolarHBondContact ND2-CB 3.06Å; N1211-R1216 PolarHBondContact ND2-N 3.13Å; N1211-R1216 PolarHBondContact OD1-N 3.29Å; N1211-R1216 PolarHBondContact OD1-O 3.1Å; R1216-V1228 HydrophobicContact CB-CG1 4.19Å; R1216-W1229 VanDerWaalsContact CA-O 3.28Å; R1216-W1229 WeakPolarHBondContact CA-O 3.15Å; R1216-L1237 HydrophobicContact CG-CD1 4.06Å; R1216-F1253 HydrophobicContact CB-CZ 4.18Å |
| 1217 | L | 90 | Very high | 87.9 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126 | 175.9 | 173.6 | 60.6 | 0 | 0 | 0 | 108.9 | L1198 L1208 F1210 V1228 W1229 W1231 | L1198-L1217 HydrophobicContact CD1-CD2 3.98Å; L1208-L1217 HydrophobicContact CB-CD1 4.2Å; L1208-L1217 HydrophobicContact CD2-CD1 4.24Å; L1208-L1217 HydrophobicContact CD2-CD2 4.34Å; L1208-L1217 HydrophobicContact CD2-CG 4.47Å; F1210-L1217 HydrophobicContact CD1-CB 4.18Å; F1210-L1217 HydrophobicContact CD1-CD1 4.42Å; F1210-L1217 HydrophobicContact CD2-CD1 4.03Å; F1210-L1217 HydrophobicContact CE1-CB 3.99Å; F1210-L1217 HydrophobicContact CE1-CD1 4.39Å; F1210-L1217 HydrophobicContact CE2-CD1 4Å; F1210-L1217 HydrophobicContact CG-CD1 4.25Å; F1210-L1217 HydrophobicContact CZ-CB 4.42Å; F1210-L1217 HydrophobicContact CZ-CD1 4.18Å; F1210-L1217 HydrophobicContact CZ-CD2 4.25Å; L1217-V1228 CarbonylContact O-C 3.54Å; L1217-V1228 WeakPolarHBondContact O-CA 3.46Å; L1217-W1229 HydrophobicContact CB-CB 4.38Å; L1217-W1229 PolarHBondContact N-O 2.83Å; L1217-W1229 PolarHBondContact O-N 2.79Å; L1217-W1231 HydrophobicContact CB-CE3 4.4Å; L1217-W1231 HydrophobicContact CD2-CE3 3.76Å; L1217-W1231 HydrophobicContact CD2-CZ3 3.73Å |
| 1218 | A | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1208 S1209 V1226 I1227 V1228 F1253 I1262 | L1208-A1218 CarbonylContact C-O 3.46Å; L1208-A1218 WeakPolarHBondContact CA-O 3.23Å; S1209-A1218 PolarHBondContact N-O 3.45Å; S1209-A1218 PolarHBondContact O-N 3.29Å; A1218-V1226 HydrophobicContact CB-CG1 4.33Å; A1218-I1227 CarbonylContact C-O 3.59Å; A1218-I1227 WeakPolarHBondContact CA-O 3.13Å; A1218-V1228 HydrophobicContact CB-CG2 4.46Å; A1218-F1253 HydrophobicContact CB-CD2 4.22Å; A1218-F1253 HydrophobicContact CB-CE2 3.61Å; A1218-F1253 HydrophobicContact CB-CZ 3.93Å; A1218-I1262 HydrophobicContact CB-CD1 4.02Å |
| 1219 | S | 94 | Very high | 88 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.2 | 171.5 | 59 | 0 | 0 | 0 | 0 | 111.1 | H1201 S1207 V1226 I1227 W1229 | H1201-S1219 PolarHBondContact CD2-OG 3.45Å; H1201-S1219 VanDerWaalsContact CD2-OG 3.3Å; H1201-S1219 PolarHBondContact NE2-O 3.07Å; H1201-S1219 PolarHBondContact NE2-OG 3.29Å; S1207-S1219 VanDerWaalsContact O-CA 3.26Å; S1207-S1219 WeakPolarHBondContact O-CA 3.36Å; S1219-V1226 CarbonylContact O-C 3.48Å; S1219-V1226 VanDerWaalsContact O-CA 3.23Å; S1219-V1226 WeakPolarHBondContact O-CA 3.42Å; S1219-I1227 PolarHBondContact N-O 2.72Å; S1219-I1227 PolarHBondContact O-N 2.69Å; S1219-I1227 PolarHBondContact OG-O 3.44Å; S1219-W1229 PolarHBondContact OG-NE1 3.12Å |
| 1220 | G | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1206 S1207 | N1206-G1220 PolarHBondContact N-O 2.86Å; S1207-G1220 PolarHBondContact N-O 3.24Å; S1207-G1220 PolarHBondContact O-N 2.96Å |
| 1221 | S | 95.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 165.8 | -163.8 | -178.5 | 0 | 0 | 0 | 0 | 114.9 | H1201 G1203 C1204 D1223 C1224 N1225 V1248 | H1201-S1221 VanDerWaalsContact CE1-CB 3.42Å; H1201-S1221 WeakPolarHBondContact CE1-CB 3.41Å; H1201-S1221 WeakPolarHBondContact ND1-CB 3.32Å; G1203-S1221 PolarHBondContact O-OG 3.24Å; C1204-S1221 CarbonylContact O-C 3.54Å; C1204-S1221 WeakPolarHBondContact O-CA 3.43Å; C1204-S1221 VanDerWaalsContact O-CB 3.3Å; C1204-S1221 WeakPolarHBondContact O-CB 3.19Å; C1204-S1221 PolarHBondContact O-OG 2.87Å; S1221-D1223 PolarHBondContact O-N 3.26Å; S1221-D1223 PolarHBondContact OG-N 3.31Å; S1221-C1224 PolarHBondContact O-N 3.36Å; S1221-N1225 PolarHBondContact N-O 3.22Å; S1221-V1248 WeakPolarHBondContact O-CB 3.36Å; S1221-V1248 PolarHBondContact O-N 3.3Å; S1221-V1248 VanDerWaalsContact O-N 3.1Å |
| 1222 | D | 94.5 | Very high | 87.6 | Confident | 51 Ų | 51 | 33.9 Ų | 33.9 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26.4 | 163.4 | -74 | 1.2 | 0 | 0 | 0 | 113.7 | C1204 N1206 C1224 N1247 | C1204-D1222 HydrophobicContact CB-CB 4.49Å; C1204-D1222 WeakPolarHBondContact CB-OD2 3.33Å; C1204-D1222 PolarHBondContact O-N 3.12Å; N1206-D1222 PolarHBondContact ND2-OD1 3.12Å; D1222-C1224 PolarHBondContact O-N 3.04Å; D1222-C1224 VanDerWaalsContact O-N 3.07Å; D1222-N1247 WeakPolarHBondContact OD1-CB 3.36Å; D1222-N1247 PolarHBondContact OD1-ND2 3.43Å; D1222-N1247 PolarHBondContact OD2-ND2 3.01Å |
| 1223 | D | 93.5 | Very high | 88 | Confident | 31 Ų | 31 | 29 Ų | 29 | 17% | 0.166 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 9.1 | 178 | 72.9 | 20.5 | 0 | 0 | 0 | 114.6 | H1201 E1202 S1221 N1225 | H1201-D1223 WeakPolarHBondContact CA-OD2 3.14Å; H1201-D1223 WeakPolarHBondContact CB-OD2 3.4Å; H1201-D1223 IonicContact CE1-OD1 3.87Å; H1201-D1223 IonicContact CG-OD2 3.44Å; H1201-D1223 IonicContact ND1-OD1 3.84Å; H1201-D1223 PolarHBondContact ND1-OD1 2.78Å; H1201-D1223 IonicContact ND1-OD2 3.21Å; H1201-D1223 PolarHBondContact ND1-OD2 2.83Å; E1202-D1223 HydrophobicContact CB-CB 4.06Å; E1202-D1223 PolarHBondContact N-OD2 2.96Å; S1221-D1223 PolarHBondContact O-N 3.26Å; S1221-D1223 PolarHBondContact OG-N 3.31Å; D1223-N1225 PolarHBondContact O-N 3.28Å; D1223-N1225 PolarHBondContact O-ND2 2.64Å; D1223-N1225 WeakPolarHBondContact OD1-CA 3Å; D1223-N1225 WeakPolarHBondContact OD1-CB 3.34Å; D1223-N1225 PolarHBondContact OD1-N 3.41Å; D1223-N1225 PolarHBondContact OD1-ND2 2.71Å; D1223-N1225 VanDerWaalsContact OD1-ND2 3.09Å |
| 1224 | C | 95.1 | Very high | 88.7 | Confident | 23 Ų | 23 | 27.3 Ų | 27.3 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 61.1 | -0.2 | -174.9 | -68 | 0 | 0 | 0 | 0 | 116.5 | S1221 D1222 T1242 H1244 | S1221-C1224 PolarHBondContact O-N 3.36Å; D1222-C1224 PolarHBondContact O-N 3.04Å; D1222-C1224 VanDerWaalsContact O-N 3.07Å; C1224-T1242 WeakPolarHBondContact O-CB 3.3Å; C1224-T1242 WeakPolarHBondContact O-CG2 3.46Å; C1224-T1242 PolarHBondContact O-N 3.26Å; C1224-T1242 VanDerWaalsContact O-N 3.16Å; C1224-T1242 PolarHBondContact O-OG1 3.06Å; C1224-H1244 PolarHBondContact SG-O 3.42Å |
| 1225 | N | 95.2 | Very high | 89.5 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 161.2 | 175.5 | -57.4 | -93.5 | 0 | 0 | 0 | 111.8 | S1221 D1223 K1239 F1240 D1241 | S1221-N1225 PolarHBondContact N-O 3.22Å; D1223-N1225 PolarHBondContact O-N 3.28Å; D1223-N1225 PolarHBondContact O-ND2 2.64Å; D1223-N1225 WeakPolarHBondContact OD1-CA 3Å; D1223-N1225 WeakPolarHBondContact OD1-CB 3.34Å; D1223-N1225 PolarHBondContact OD1-N 3.41Å; D1223-N1225 PolarHBondContact OD1-ND2 2.71Å; D1223-N1225 VanDerWaalsContact OD1-ND2 3.09Å; N1225-K1239 HydrophobicContact CB-CG 4.1Å; N1225-F1240 CarbonylContact C-O 3.56Å; N1225-F1240 VanDerWaalsContact CA-O 3.23Å; N1225-F1240 WeakPolarHBondContact CA-O 3.49Å; N1225-F1240 WeakPolarHBondContact CB-O 3.48Å; N1225-D1241 PolarHBondContact OD1-N 3.29Å |
| 1226 | V | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.2 | 154.5 | 163.1 | 0 | 0 | 0 | 0 | 108.7 | A1218 S1219 F1240 T1242 I1262 T1264 | A1218-V1226 HydrophobicContact CB-CG1 4.33Å; S1219-V1226 CarbonylContact O-C 3.48Å; S1219-V1226 VanDerWaalsContact O-CA 3.23Å; S1219-V1226 WeakPolarHBondContact O-CA 3.42Å; V1226-F1240 HydrophobicContact CB-CE1 3.86Å; V1226-F1240 HydrophobicContact CB-CE2 3.97Å; V1226-F1240 HydrophobicContact CB-CZ 3.56Å; V1226-F1240 HydrophobicContact CG1-CE1 3.64Å; V1226-F1240 HydrophobicContact CG1-CE2 4.49Å; V1226-F1240 HydrophobicContact CG1-CZ 3.6Å; V1226-F1240 HydrophobicContact CG2-CZ 4.45Å; V1226-F1240 PolarHBondContact N-O 3.03Å; V1226-F1240 PolarHBondContact O-N 2.95Å; V1226-T1242 HydrophobicContact CB-CG2 4.2Å; V1226-T1242 HydrophobicContact CG2-CG2 3.69Å; V1226-I1262 HydrophobicContact CG1-CD1 4.24Å; V1226-T1264 HydrophobicContact CG2-CG2 3.85Å |
| 1227 | I | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.7 | 172.4 | -57.2 | 176.8 | 0 | 0 | 0 | 108.9 | G1200 H1201 A1218 S1219 W1229 Q1236 V1238 K1239 | G1200-I1227 WeakPolarHBondContact O-CD1 3.29Å; H1201-I1227 HydrophobicContact CB-CD1 4.43Å; A1218-I1227 CarbonylContact C-O 3.59Å; A1218-I1227 WeakPolarHBondContact CA-O 3.13Å; S1219-I1227 PolarHBondContact N-O 2.72Å; S1219-I1227 PolarHBondContact O-N 2.69Å; S1219-I1227 PolarHBondContact OG-O 3.44Å; I1227-W1229 HydrophobicContact CB-CZ2 3.99Å; I1227-W1229 HydrophobicContact CD1-CH2 4.44Å; I1227-W1229 HydrophobicContact CD1-CZ2 3.97Å; I1227-W1229 HydrophobicContact CG2-CD2 3.95Å; I1227-W1229 VanDerWaalsContact CG2-CE2 3.42Å; I1227-W1229 HydrophobicContact CG2-CE3 4.46Å; I1227-W1229 HydrophobicContact CG2-CG 4.46Å; I1227-W1229 HydrophobicContact CG2-CH2 4Å; I1227-W1229 HydrophobicContact CG2-CZ2 3.47Å; I1227-W1229 VanDerWaalsContact CG2-CZ2 3.47Å; I1227-W1229 HydrophobicContact CG2-CZ3 4.48Å; I1227-Q1236 HydrophobicContact CG2-CG 3.67Å; I1227-V1238 CarbonylContact C-O 3.59Å; I1227-V1238 VanDerWaalsContact CA-O 3.31Å; I1227-V1238 WeakPolarHBondContact CA-O 3.44Å; I1227-V1238 WeakPolarHBondContact CG2-O 3.48Å; I1227-K1239 HydrophobicContact CD1-CB 4.45Å; I1227-K1239 HydrophobicContact CD1-CD 3.92Å; I1227-K1239 HydrophobicContact CD1-CG 4.19Å; I1227-K1239 HydrophobicContact CG1-CB 3.89Å; I1227-K1239 HydrophobicContact CG1-CD 4.09Å; I1227-K1239 HydrophobicContact CG1-CG 3.77Å |
| 1228 | V | 92.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.3 | 169.4 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | R1216 L1217 A1218 L1237 V1238 F1240 F1253 I1262 L1276 | R1216-V1228 HydrophobicContact CB-CG1 4.19Å; L1217-V1228 CarbonylContact O-C 3.54Å; L1217-V1228 WeakPolarHBondContact O-CA 3.46Å; A1218-V1228 HydrophobicContact CB-CG2 4.46Å; V1228-L1237 HydrophobicContact CG1-CD1 4.35Å; V1228-L1237 WeakPolarHBondContact O-CB 3.31Å; V1228-L1237 PolarHBondContact O-N 2.93Å; V1228-V1238 HydrophobicContact CB-CG1 3.79Å; V1228-V1238 HydrophobicContact CG2-CG1 3.89Å; V1228-V1238 PolarHBondContact N-O 3.2Å; V1228-V1238 PolarHBondContact O-N 3.45Å; V1228-F1240 HydrophobicContact CG2-CE1 4.35Å; V1228-F1253 HydrophobicContact CG1-CZ 4.03Å; V1228-F1253 HydrophobicContact CG2-CZ 4.5Å; V1228-I1262 HydrophobicContact CG2-CD1 3.63Å; V1228-L1276 HydrophobicContact CG2-CD1 4.29Å |
| 1229 | W | 90.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.2 | 179.7 | -49.7 | 88.7 | 0 | 0 | 0 | 110.4 | L1198 K1199 R1216 L1217 S1219 I1227 Q1235 Q1236 | L1198-W1229 HydrophobicContact CB-CD2 4.13Å; L1198-W1229 HydrophobicContact CB-CE3 4.07Å; L1198-W1229 HydrophobicContact CB-CH2 4.05Å; L1198-W1229 HydrophobicContact CB-CZ2 4.05Å; L1198-W1229 HydrophobicContact CB-CZ3 4.03Å; L1198-W1229 HydrophobicContact CD1-CB 4.32Å; L1198-W1229 HydrophobicContact CD1-CD2 3.86Å; L1198-W1229 HydrophobicContact CD1-CE3 4.34Å; L1198-W1229 HydrophobicContact CD1-CG 3.81Å; L1198-W1229 HydrophobicContact CD2-CD2 4.23Å; L1198-W1229 HydrophobicContact CD2-CE3 3.87Å; L1198-W1229 HydrophobicContact CD2-CZ3 4.39Å; L1198-W1229 HydrophobicContact CG-CD2 4.28Å; L1198-W1229 HydrophobicContact CG-CE3 4.3Å; K1199-W1229 WeakPolarHBondContact O-CH2 3.24Å; R1216-W1229 VanDerWaalsContact CA-O 3.28Å; R1216-W1229 WeakPolarHBondContact CA-O 3.15Å; L1217-W1229 HydrophobicContact CB-CB 4.38Å; L1217-W1229 PolarHBondContact N-O 2.83Å; L1217-W1229 PolarHBondContact O-N 2.79Å; S1219-W1229 PolarHBondContact OG-NE1 3.12Å; I1227-W1229 HydrophobicContact CB-CZ2 3.99Å; I1227-W1229 HydrophobicContact CD1-CH2 4.44Å; I1227-W1229 HydrophobicContact CD1-CZ2 3.97Å; I1227-W1229 HydrophobicContact CG2-CD2 3.95Å; I1227-W1229 VanDerWaalsContact CG2-CE2 3.42Å; I1227-W1229 HydrophobicContact CG2-CE3 4.46Å; I1227-W1229 HydrophobicContact CG2-CG 4.46Å; I1227-W1229 HydrophobicContact CG2-CH2 4Å; I1227-W1229 HydrophobicContact CG2-CZ2 3.47Å; I1227-W1229 VanDerWaalsContact CG2-CZ2 3.47Å; I1227-W1229 HydrophobicContact CG2-CZ3 4.48Å; W1229-Q1235 CarbonylContact C-O 3.6Å; W1229-Q1235 VanDerWaalsContact CA-O 3.29Å; W1229-Q1235 WeakPolarHBondContact CA-O 3.14Å; W1229-Q1236 HydrophobicContact CE3-CB 4.03Å; W1229-Q1236 HydrophobicContact CZ3-CB 3.82Å |
| 1230 | D | 86.6 | Confident | 90.2 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 110.9 | 160.8 | -175.2 | 46.1 | 0 | 0 | 0 | 108.1 | T1233 A1234 Q1235 L1237 | D1230-T1233 WeakPolarHBondContact CB-OG1 3.39Å; D1230-T1233 WeakPolarHBondContact OD2-CB 3.48Å; D1230-T1233 WeakPolarHBondContact OD2-CG2 3.49Å; D1230-T1233 PolarHBondContact OD2-OG1 2.6Å; D1230-A1234 WeakPolarHBondContact O-CA 3.41Å; D1230-A1234 PolarHBondContact O-N 3.49Å; D1230-Q1235 PolarHBondContact N-O 3.23Å; D1230-Q1235 PolarHBondContact O-N 3.37Å; D1230-L1237 HydrophobicContact CB-CD1 3.92Å; D1230-L1237 HydrophobicContact CB-CD2 4.01Å; D1230-L1237 HydrophobicContact CB-CG 3.84Å |
| 1231 | W | 83.8 | Confident | 90.3 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -43.9 | -169.1 | 179.9 | -103.3 | 0 | 0 | 0 | 113.4 | M1195 L1198 F1210 T1215 L1217 T1233 A1234 | M1195-W1231 HydrophobicContact SD-CZ2 4.37Å; L1198-W1231 HydrophobicContact CD1-CE3 4.5Å; L1198-W1231 HydrophobicContact CD1-CZ3 4.19Å; F1210-W1231 HydrophobicContact CE1-CB 4.12Å; F1210-W1231 AromaticContact CE1-CD2 3.66Å; F1210-W1231 HydrophobicContact CE1-CD2 3.66Å; F1210-W1231 AromaticContact CE1-CE3 4Å; F1210-W1231 HydrophobicContact CE1-CE3 4Å; F1210-W1231 AromaticContact CE1-CG 3.69Å; F1210-W1231 HydrophobicContact CE1-CG 3.69Å; F1210-W1231 AromaticContact CZ-CD2 3.81Å; F1210-W1231 HydrophobicContact CZ-CD2 3.81Å; F1210-W1231 AromaticContact CZ-CE2 3.97Å; F1210-W1231 AromaticContact CZ-CE3 3.91Å; F1210-W1231 HydrophobicContact CZ-CE3 3.91Å; F1210-W1231 HydrophobicContact CZ-CG 4.32Å; F1210-W1231 HydrophobicContact CZ-CH2 4.34Å; F1210-W1231 HydrophobicContact CZ-CZ2 4.24Å; F1210-W1231 HydrophobicContact CZ-CZ3 4.17Å; T1215-W1231 WeakPolarHBondContact O-CB 3.4Å; T1215-W1231 PolarHBondContact O-N 2.95Å; L1217-W1231 HydrophobicContact CB-CE3 4.4Å; L1217-W1231 HydrophobicContact CD2-CE3 3.76Å; L1217-W1231 HydrophobicContact CD2-CZ3 3.73Å; W1231-T1233 VanDerWaalsContact C-N 3.29Å; W1231-T1233 PolarHBondContact O-N 3.45Å; W1231-A1234 PolarHBondContact O-N 2.83Å |
| 1232 | P | 75.1 | Confident | 90.1 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.5 | -179.9 | -23.3 | 35.7 | 0 | 0 | 0 | 115.2 | T1215 | T1215-P1232 WeakPolarHBondContact O-CD 3.4Š|
| 1233 | T | 83.7 | Confident | 90 | Very high | 72 Ų | 72 | 41 Ų | 41 | 44% | 0.442 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -7.1 | 179.2 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | D1230 W1231 Q1235 | D1230-T1233 WeakPolarHBondContact CB-OG1 3.39Å; D1230-T1233 WeakPolarHBondContact OD2-CB 3.48Å; D1230-T1233 WeakPolarHBondContact OD2-CG2 3.49Å; D1230-T1233 PolarHBondContact OD2-OG1 2.6Å; W1231-T1233 VanDerWaalsContact C-N 3.29Å; W1231-T1233 PolarHBondContact O-N 3.45Å; T1233-Q1235 PolarHBondContact O-N 3.49Å; T1233-Q1235 WeakPolarHBondContact OG1-CG 3.23Å; T1233-Q1235 PolarHBondContact OG1-N 2.9Å |
| 1234 | A | 83.5 | Confident | 90.1 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 21 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1196 L1198 D1230 W1231 | H1196-A1234 HydrophobicContact CB-CB 4.06Å; L1198-A1234 HydrophobicContact CD2-CB 3.86Å; D1230-A1234 WeakPolarHBondContact O-CA 3.41Å; D1230-A1234 PolarHBondContact O-N 3.49Å; W1231-A1234 PolarHBondContact O-N 2.83Å |
| 1235 | Q | 88.4 | Confident | 89.9 | Confident | 127 Ų | 127 | 48.7 Ų | 48.7 | 59% | 0.593 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 149.8 | -178.7 | -65.2 | -173.5 | 3.1 | 0 | 0 | 112.6 | W1229 D1230 T1233 | W1229-Q1235 CarbonylContact C-O 3.6Å; W1229-Q1235 VanDerWaalsContact CA-O 3.29Å; W1229-Q1235 WeakPolarHBondContact CA-O 3.14Å; D1230-Q1235 PolarHBondContact N-O 3.23Å; D1230-Q1235 PolarHBondContact O-N 3.37Å; T1233-Q1235 PolarHBondContact O-N 3.49Å; T1233-Q1235 WeakPolarHBondContact OG1-CG 3.23Å; T1233-Q1235 PolarHBondContact OG1-N 2.9Å |
| 1236 | Q | 89.5 | Confident | 89.9 | Confident | 91 Ų | 91 | 51 Ų | 51 | 43% | 0.425 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120 | 168.9 | 179.6 | 174.5 | -71.8 | 0 | 0 | 109.6 | I1227 W1229 | I1227-Q1236 HydrophobicContact CG2-CG 3.67Å; W1229-Q1236 HydrophobicContact CE3-CB 4.03Å; W1229-Q1236 HydrophobicContact CZ3-CB 3.82Å |
| 1237 | L | 88.1 | Confident | 89.8 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -46.2 | 173.7 | -68.4 | 173.9 | 0 | 0 | 0 | 111.6 | R1216 V1228 D1230 | R1216-L1237 HydrophobicContact CG-CD1 4.06Å; V1228-L1237 HydrophobicContact CG1-CD1 4.35Å; V1228-L1237 WeakPolarHBondContact O-CB 3.31Å; V1228-L1237 PolarHBondContact O-N 2.93Å; D1230-L1237 HydrophobicContact CB-CD1 3.92Å; D1230-L1237 HydrophobicContact CB-CD2 4.01Å; D1230-L1237 HydrophobicContact CB-CG 3.84Å |
| 1238 | V | 90.9 | Very high | 89.8 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 140.9 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | I1227 V1228 F1240 G1280 | I1227-V1238 CarbonylContact C-O 3.59Å; I1227-V1238 VanDerWaalsContact CA-O 3.31Å; I1227-V1238 WeakPolarHBondContact CA-O 3.44Å; I1227-V1238 WeakPolarHBondContact CG2-O 3.48Å; V1228-V1238 HydrophobicContact CB-CG1 3.79Å; V1228-V1238 HydrophobicContact CG2-CG1 3.89Å; V1228-V1238 PolarHBondContact N-O 3.2Å; V1228-V1238 PolarHBondContact O-N 3.45Å; V1238-F1240 HydrophobicContact CG1-CD1 4.28Å; V1238-F1240 HydrophobicContact CG2-CB 4.37Å; V1238-F1240 HydrophobicContact CG2-CD1 4.22Å; V1238-G1280 VanDerWaalsContact CB-O 3.24Å; V1238-G1280 WeakPolarHBondContact CB-O 3.42Å; V1238-G1280 VanDerWaalsContact CG1-O 3.26Å; V1238-G1280 WeakPolarHBondContact CG1-O 3.38Å; V1238-G1280 WeakPolarHBondContact CG2-O 3.45Å |
| 1239 | K | 92.8 | Very high | 89.9 | Confident | 61 Ų | 61 | 54 Ų | 54 | 27% | 0.265 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.7 | 161.6 | 176.1 | 169.3 | -177.9 | 174.4 | 0 | 106.9 | G1200 E1202 N1225 I1227 | G1200-K1239 PolarHBondContact O-NZ 2.75Å; E1202-K1239 IonicContact OE1-NZ 3.72Å; E1202-K1239 PolarHBondContact OE1-NZ 3.47Å; N1225-K1239 HydrophobicContact CB-CG 4.1Å; I1227-K1239 HydrophobicContact CD1-CB 4.45Å; I1227-K1239 HydrophobicContact CD1-CD 3.92Å; I1227-K1239 HydrophobicContact CD1-CG 4.19Å; I1227-K1239 HydrophobicContact CG1-CB 3.89Å; I1227-K1239 HydrophobicContact CG1-CD 4.09Å; I1227-K1239 HydrophobicContact CG1-CG 3.77Å |
| 1240 | F | 93.3 | Very high | 90 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.3 | 178.9 | 66.8 | -92.8 | 0 | 0 | 0 | 112.1 | N1225 V1226 V1228 V1238 T1242 I1262 A1274 L1276 C1282 | N1225-F1240 CarbonylContact C-O 3.56Å; N1225-F1240 VanDerWaalsContact CA-O 3.23Å; N1225-F1240 WeakPolarHBondContact CA-O 3.49Å; N1225-F1240 WeakPolarHBondContact CB-O 3.48Å; V1226-F1240 HydrophobicContact CB-CE1 3.86Å; V1226-F1240 HydrophobicContact CB-CE2 3.97Å; V1226-F1240 HydrophobicContact CB-CZ 3.56Å; V1226-F1240 HydrophobicContact CG1-CE1 3.64Å; V1226-F1240 HydrophobicContact CG1-CE2 4.49Å; V1226-F1240 HydrophobicContact CG1-CZ 3.6Å; V1226-F1240 HydrophobicContact CG2-CZ 4.45Å; V1226-F1240 PolarHBondContact N-O 3.03Å; V1226-F1240 PolarHBondContact O-N 2.95Å; V1228-F1240 HydrophobicContact CG2-CE1 4.35Å; V1238-F1240 HydrophobicContact CG1-CD1 4.28Å; V1238-F1240 HydrophobicContact CG2-CB 4.37Å; V1238-F1240 HydrophobicContact CG2-CD1 4.22Å; F1240-T1242 HydrophobicContact CE2-CG2 4.24Å; F1240-T1242 PolarHBondContact O-N 2.71Å; F1240-I1262 HydrophobicContact CE1-CD1 4.27Å; F1240-I1262 HydrophobicContact CZ-CD1 4.25Å; F1240-A1274 HydrophobicContact CD2-CB 4.28Å; F1240-A1274 HydrophobicContact CE2-CB 3.36Å; F1240-A1274 HydrophobicContact CZ-CB 3.65Å; F1240-L1276 HydrophobicContact CD1-CD2 4.07Å; F1240-L1276 HydrophobicContact CE1-CD2 3.87Å; F1240-L1276 HydrophobicContact CZ-CD2 4.4Å; F1240-C1282 HydrophobicContact CB-CB 3.62Å; F1240-C1282 HydrophobicContact CD1-CB 4.28Å; F1240-C1282 HydrophobicContact CD2-CB 4.24Å; F1240-C1282 HydrophobicContact CG-CB 3.81Å |
| 1241 | D | 93.3 | Very high | 90.4 | Very high | 97 Ų | 97 | 53 Ų | 53 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125 | 169.7 | 175.8 | 25.3 | 0 | 0 | 0 | 109.5 | N1225 G1243 | N1225-D1241 PolarHBondContact OD1-N 3.29Å; D1241-G1243 VanDerWaalsContact CG-N 3.29Å; D1241-G1243 PolarHBondContact O-N 3.44Å; D1241-G1243 WeakPolarHBondContact OD1-CA 3.11Å; D1241-G1243 PolarHBondContact OD1-N 2.83Å |
| 1242 | T | 93.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | trans | -73.1 | -17.9 | 173.5 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | C1224 V1226 F1240 H1244 V1248 T1264 R1272 T1285 | C1224-T1242 WeakPolarHBondContact O-CB 3.3Å; C1224-T1242 WeakPolarHBondContact O-CG2 3.46Å; C1224-T1242 PolarHBondContact O-N 3.26Å; C1224-T1242 VanDerWaalsContact O-N 3.16Å; C1224-T1242 PolarHBondContact O-OG1 3.06Å; V1226-T1242 HydrophobicContact CB-CG2 4.2Å; V1226-T1242 HydrophobicContact CG2-CG2 3.69Å; F1240-T1242 HydrophobicContact CE2-CG2 4.24Å; F1240-T1242 PolarHBondContact O-N 2.71Å; T1242-H1244 PolarHBondContact O-N 2.94Å; T1242-H1244 WeakPolarHBondContact OG1-CB 3.36Å; T1242-H1244 PolarHBondContact OG1-CD2 3.03Å; T1242-H1244 VanDerWaalsContact OG1-CD2 3.23Å; T1242-H1244 PolarHBondContact OG1-N 3.17Å; T1242-V1248 HydrophobicContact CG2-CG2 4.14Å; T1242-T1264 HydrophobicContact CG2-CG2 4.01Å; T1242-R1272 WeakPolarHBondContact O-CD 3.31Å; T1242-R1272 PolarHBondContact O-NH1 2.81Å; T1242-T1285 PolarHBondContact O-OG1 3.31Å | ||
| 1243 | G | 92.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | trans | 70.9 | 8.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1241 R1272 | D1241-G1243 VanDerWaalsContact CG-N 3.29Å; D1241-G1243 PolarHBondContact O-N 3.44Å; D1241-G1243 WeakPolarHBondContact OD1-CA 3.11Å; D1241-G1243 PolarHBondContact OD1-N 2.83Å; G1243-R1272 PolarHBondContact O-NH1 3.43Å; G1243-R1272 PolarHBondContact O-NH2 3.06Å | ||
| 1244 | H | 94.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | trans | -63 | 148.8 | 167 | -75.8 | -69.5 | 0 | 0 | 0 | 110.3 | C1224 T1242 V1248 T1264 A1266 D1268 H1270 | C1224-H1244 PolarHBondContact SG-O 3.42Å; T1242-H1244 PolarHBondContact O-N 2.94Å; T1242-H1244 WeakPolarHBondContact OG1-CB 3.36Å; T1242-H1244 PolarHBondContact OG1-CD2 3.03Å; T1242-H1244 VanDerWaalsContact OG1-CD2 3.23Å; T1242-H1244 PolarHBondContact OG1-N 3.17Å; H1244-V1248 HydrophobicContact CB-CG2 4.31Å; H1244-T1264 PolarHBondContact CD2-OG1 2.89Å; H1244-T1264 PolarHBondContact NE2-OG1 2.89Å; H1244-A1266 HydrophobicContact CB-CB 3.87Å; H1244-A1266 VanDerWaalsContact CG-CB 3.45Å; H1244-A1266 VanDerWaalsContact ND1-CB 3.31Å; H1244-A1266 WeakPolarHBondContact ND1-CB 3.42Å; H1244-D1268 VanDerWaalsContact CA-OD2 3.29Å; H1244-D1268 WeakPolarHBondContact CA-OD2 3.35Å; H1244-D1268 IonicContact CE1-OD1 3Å; H1244-D1268 IonicContact CG-OD2 2.82Å; H1244-D1268 IonicContact ND1-OD1 2.67Å; H1244-D1268 PolarHBondContact ND1-OD1 3.25Å; H1244-D1268 IonicContact ND1-OD2 3.96Å; H1244-D1268 PolarHBondContact ND1-OD2 2.91Å; H1244-H1270 PolarHBondContact CE1-O 3.15Å; H1244-H1270 VanDerWaalsContact CE1-O 3.3Å | ||
| 1245 | R | 92.2 | Very high | 91.7 | Very high | 207 Ų | 207 | 47.1 Ų | 47.1 | 78% | 0.781 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -96.3 | -6.1 | -176.3 | -62.4 | -175.5 | -179 | -81.8 | 0.3 | 113.9 | D1268 | R1245-D1268 HydrophobicContact CB-CB 4.38Å; R1245-D1268 PolarHBondContact N-OD2 3.48Å |
| 1246 | L | 93.8 | Very high | 91.1 | Very high | 79 Ų | 79 | 45 Ų | 45 | 41% | 0.414 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -150.8 | 169.9 | -178.9 | -62.2 | 173.9 | 0 | 0 | 0 | 108.9 | V1248 R1267 D1268 | L1246-V1248 PolarHBondContact O-N 3.06Å; L1246-R1267 HydrophobicContact CB-CB 3.78Å; L1246-R1267 HydrophobicContact CB-CG 4.43Å; L1246-R1267 HydrophobicContact CD1-CB 4.29Å; L1246-R1267 HydrophobicContact CD1-CG 4.16Å; L1246-D1268 HydrophobicContact CB-CB 4.29Å; L1246-D1268 HydrophobicContact CD1-CB 4.33Å; L1246-D1268 HydrophobicContact CG-CB 4.37Å |
| 1247 | N | 93.6 | Very high | 90.7 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -32.7 | 122.3 | -177.5 | -44.5 | 60.3 | 0 | 0 | 0 | 114.5 | D1222 F1249 A1266 R1267 | D1222-N1247 WeakPolarHBondContact OD1-CB 3.36Å; D1222-N1247 PolarHBondContact OD1-ND2 3.43Å; D1222-N1247 PolarHBondContact OD2-ND2 3.01Å; N1247-F1249 HydrophobicContact CB-CD1 4.26Å; N1247-F1249 HydrophobicContact CB-CE1 3.92Å; N1247-F1249 PolarHBondContact O-N 3.25Å; N1247-A1266 CarbonylContact O-C 3.59Å; N1247-A1266 VanDerWaalsContact O-CA 3.24Å; N1247-A1266 WeakPolarHBondContact O-CA 3.46Å; N1247-A1266 VanDerWaalsContact O-CB 3.25Å; N1247-A1266 WeakPolarHBondContact O-CB 3.14Å; N1247-R1267 HydrophobicContact CB-CB 4.22Å; N1247-R1267 PolarHBondContact O-N 2.72Å | ||
| 1248 | V | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.3 | 171.1 | -180 | 0 | 0 | 0 | 0 | 108.1 | N1206 S1221 T1242 H1244 L1246 T1264 | N1206-V1248 WeakPolarHBondContact CB-O 3.43Å; N1206-V1248 PolarHBondContact ND2-O 2.84Å; S1221-V1248 WeakPolarHBondContact O-CB 3.36Å; S1221-V1248 PolarHBondContact O-N 3.3Å; S1221-V1248 VanDerWaalsContact O-N 3.1Å; T1242-V1248 HydrophobicContact CG2-CG2 4.14Å; H1244-V1248 HydrophobicContact CB-CG2 4.31Å; L1246-V1248 PolarHBondContact O-N 3.06Å; V1248-T1264 HydrophobicContact CG1-CG2 4.43Å |
| 1249 | F | 94.1 | Very high | 90 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -34.6 | -178.8 | -69.5 | -34.3 | 0 | 0 | 0 | 112.3 | N1247 C1265 R1267 H1296 | N1247-F1249 HydrophobicContact CB-CD1 4.26Å; N1247-F1249 HydrophobicContact CB-CE1 3.92Å; N1247-F1249 PolarHBondContact O-N 3.25Å; F1249-C1265 PolarHBondContact N-O 2.81Å; F1249-R1267 HydrophobicContact CD2-CB 4.29Å; F1249-R1267 HydrophobicContact CE1-CB 4.36Å; F1249-R1267 HydrophobicContact CE2-CB 3.57Å; F1249-R1267 HydrophobicContact CE2-CG 3.9Å; F1249-R1267 HydrophobicContact CZ-CB 3.62Å; F1249-R1267 HydrophobicContact CZ-CG 3.78Å; F1249-H1296 AromaticContact CD2-ND1 3.8Å; F1249-H1296 AromaticContact CE2-CE1 3.82Å; F1249-H1296 AromaticContact CE2-ND1 3.73Å |
| 1250 | Q | 94 | Very high | 89.8 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.1 | 172.2 | -138.8 | 177.1 | 41.7 | 0 | 0 | 114.4 | S1207 T1264 C1265 L1298 | S1207-Q1250 WeakPolarHBondContact OG-CA 3.49Å; S1207-Q1250 VanDerWaalsContact OG-CG 3.24Å; S1207-Q1250 WeakPolarHBondContact OG-CG 3.09Å; Q1250-T1264 CarbonylContact O-C 3.25Å; Q1250-T1264 WeakPolarHBondContact O-CA 3.42Å; Q1250-C1265 VanDerWaalsContact CB-SG 3.56Å; Q1250-C1265 PolarHBondContact N-O 3.36Å; Q1250-C1265 VanDerWaalsContact N-O 3.14Å; Q1250-C1265 PolarHBondContact O-N 3.49Å; Q1250-L1298 PolarHBondContact OE1-O 2.88Å |
| 1251 | S | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.1 | 169.8 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | S1207 S1209 V1263 | S1207-S1251 PolarHBondContact OG-N 3.44Å; S1209-S1251 WeakPolarHBondContact CB-O 3.3Å; S1251-V1263 WeakPolarHBondContact CA-O 3.15Å |
| 1252 | K | 92.8 | Very high | 89.7 | Confident | 50 Ų | 50 | 39.1 Ų | 39.1 | 22% | 0.217 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137.3 | 177.9 | -73.4 | -173.2 | 174.4 | -64.4 | 0 | 111.6 | I1262 V1263 L1298 | K1252-I1262 CarbonylContact O-C 3.56Å; K1252-I1262 VanDerWaalsContact O-CA 3.31Å; K1252-I1262 WeakPolarHBondContact O-CA 3.42Å; K1252-V1263 PolarHBondContact N-O 3Å; K1252-V1263 PolarHBondContact O-N 3.38Å; K1252-L1298 HydrophobicContact CD-CB 4.28Å; K1252-L1298 WeakPolarHBondContact CE-O 3.48Å |
| 1253 | F | 89.8 | Confident | 89.8 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135.3 | 165 | -75.3 | -76.6 | 0 | 0 | 0 | 110.2 | S1209 N1211 R1216 A1218 V1228 D1259 I1262 | S1209-F1253 WeakPolarHBondContact O-CE2 3.29Å; N1211-F1253 HydrophobicContact CB-CD2 3.94Å; N1211-F1253 HydrophobicContact CB-CE2 3.96Å; N1211-F1253 HydrophobicContact CB-CG 4.28Å; N1211-F1253 HydrophobicContact CB-CZ 4.34Å; R1216-F1253 HydrophobicContact CB-CZ 4.18Å; A1218-F1253 HydrophobicContact CB-CD2 4.22Å; A1218-F1253 HydrophobicContact CB-CE2 3.61Å; A1218-F1253 HydrophobicContact CB-CZ 3.93Å; V1228-F1253 HydrophobicContact CG1-CZ 4.03Å; V1228-F1253 HydrophobicContact CG2-CZ 4.5Å; F1253-D1259 HydrophobicContact CD1-CB 4.13Å; F1253-D1259 HydrophobicContact CE1-CB 4.01Å; F1253-I1262 HydrophobicContact CD1-CD1 4.17Å; F1253-I1262 HydrophobicContact CD1-CG1 3.7Å; F1253-I1262 HydrophobicContact CE1-CD1 3.76Å; F1253-I1262 HydrophobicContact CE1-CG1 3.81Å; F1253-I1262 HydrophobicContact CG-CG1 4.39Å; F1253-I1262 HydrophobicContact CZ-CD1 4.17Å |
| 1254 | V | 89.2 | Confident | 90 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 126.3 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | S1257 Q1261 V1263 L1273 P1305 L1322 | V1254-S1257 WeakPolarHBondContact O-CB 3.49Å; V1254-S1257 PolarHBondContact O-N 3.48Å; V1254-S1257 PolarHBondContact O-OG 3.1Å; V1254-Q1261 HydrophobicContact CB-CB 3.88Å; V1254-Q1261 HydrophobicContact CG2-CB 3.75Å; V1254-Q1261 PolarHBondContact N-O 3.02Å; V1254-V1263 HydrophobicContact CG2-CG2 3.62Å; V1254-L1273 HydrophobicContact CG2-CD1 3.99Å; V1254-P1305 WeakPolarHBondContact CG1-O 3.32Å; V1254-L1322 HydrophobicContact CG1-CD1 3.82Å; V1254-L1322 HydrophobicContact CG2-CD1 4.06Å |
| 1255 | P | 81.7 | Confident | 90 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 142.4 | 177.4 | -27.8 | 36.5 | 0 | 0 | 0 | 112.4 | S1257 C1300 P1305 | P1255-S1257 PolarHBondContact O-N 3.49Å; P1255-C1300 HydrophobicContact CG-CB 4.06Å; P1255-P1305 HydrophobicContact CB-CB 4.26Å; P1255-P1305 WeakPolarHBondContact O-CB 3.35Å |
| 1256 | C | 75.8 | Confident | 90.2 | Very high | 83 Ų | 83 | 28 Ų | 28 | 56% | 0.561 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 11.8 | 177.9 | -54.4 | 0 | 0 | 0 | 0 | 116.3 | N1258 P1305 | C1256-N1258 PolarHBondContact O-N 3.32Å; C1256-P1305 HydrophobicContact CB-CB 3.82Å; C1256-P1305 HydrophobicContact CB-CG 4.23Å |
| 1257 | S | 80.3 | Confident | 90.2 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 13% | 0.133 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -79.2 | 8.5 | 177.8 | 66 | 0 | 0 | 0 | 0 | 115.4 | V1254 P1255 D1259 L1260 | V1254-S1257 WeakPolarHBondContact O-CB 3.49Å; V1254-S1257 PolarHBondContact O-N 3.48Å; V1254-S1257 PolarHBondContact O-OG 3.1Å; P1255-S1257 PolarHBondContact O-N 3.49Å; S1257-D1259 PolarHBondContact O-N 2.74Å; S1257-L1260 VanDerWaalsContact O-CB 3.29Å; S1257-L1260 WeakPolarHBondContact O-CB 3.48Å; S1257-L1260 PolarHBondContact O-N 2.73Å |
| 1258 | N | 80.4 | Confident | 90.2 | Very high | 82 Ų | 82 | 29.9 Ų | 29.9 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 32.1 | -166.6 | -64.2 | -35.4 | 0 | 0 | 0 | 113.4 | N203 C1256 L1260 | N203-N1258 PolarHBondContact ND2-OD1 3.38Å; C1256-N1258 PolarHBondContact O-N 3.32Å; N1258-L1260 HydrophobicContact CB-CD1 4.48Å; N1258-L1260 HydrophobicContact CB-CG 4.31Å; N1258-L1260 PolarHBondContact O-N 3.19Å |
| 1259 | D | 84.3 | Confident | 90.2 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 17.4 | -174.8 | -47.9 | -24.4 | 0 | 0 | 0 | 114.5 | N1211 F1253 S1257 | N1211-D1259 WeakPolarHBondContact CB-OD1 3.19Å; N1211-D1259 WeakPolarHBondContact CB-OD2 3.25Å; N1211-D1259 PolarHBondContact ND2-OD2 2.71Å; F1253-D1259 HydrophobicContact CD1-CB 4.13Å; F1253-D1259 HydrophobicContact CE1-CB 4.01Å; S1257-D1259 PolarHBondContact O-N 2.74Å |
| 1260 | L | 88.4 | Confident | 90.2 | Very high | 49 Ų | 49 | 29.8 Ų | 29.8 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | trans | -88 | -1.2 | 179.3 | -56.4 | -179.2 | 0 | 0 | 0 | 113.3 | S1257 N1258 L1276 P1278 | S1257-L1260 VanDerWaalsContact O-CB 3.29Å; S1257-L1260 WeakPolarHBondContact O-CB 3.48Å; S1257-L1260 PolarHBondContact O-N 2.73Å; N1258-L1260 HydrophobicContact CB-CD1 4.48Å; N1258-L1260 HydrophobicContact CB-CG 4.31Å; N1258-L1260 PolarHBondContact O-N 3.19Å; L1260-L1276 PolarHBondContact O-N 3.14Å; L1260-P1278 HydrophobicContact CD1-CG 4.34Å; L1260-P1278 HydrophobicContact CD2-CG 4.29Å | ||
| 1261 | Q | 91.5 | Very high | 90.3 | Very high | 52 Ų | 52 | 28.4 Ų | 28.4 | 24% | 0.243 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 131.6 | 179.9 | -74.3 | -176.6 | -3.9 | 0 | 0 | 112.2 | V1254 L1273 A1274 E1275 | V1254-Q1261 HydrophobicContact CB-CB 3.88Å; V1254-Q1261 HydrophobicContact CG2-CB 3.75Å; V1254-Q1261 PolarHBondContact N-O 3.02Å; Q1261-L1273 HydrophobicContact CB-CD1 3.99Å; Q1261-L1273 HydrophobicContact CG-CD1 4.25Å; Q1261-A1274 WeakPolarHBondContact CA-O 3.05Å; Q1261-E1275 HydrophobicContact CG-CG 4.35Å |
| 1262 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.9 | 174.4 | -61.1 | 177.4 | 0 | 0 | 0 | 108.1 | A1218 V1226 V1228 F1240 K1252 F1253 T1264 A1274 L1276 | A1218-I1262 HydrophobicContact CB-CD1 4.02Å; V1226-I1262 HydrophobicContact CG1-CD1 4.24Å; V1228-I1262 HydrophobicContact CG2-CD1 3.63Å; F1240-I1262 HydrophobicContact CE1-CD1 4.27Å; F1240-I1262 HydrophobicContact CZ-CD1 4.25Å; K1252-I1262 CarbonylContact O-C 3.56Å; K1252-I1262 VanDerWaalsContact O-CA 3.31Å; K1252-I1262 WeakPolarHBondContact O-CA 3.42Å; F1253-I1262 HydrophobicContact CD1-CD1 4.17Å; F1253-I1262 HydrophobicContact CD1-CG1 3.7Å; F1253-I1262 HydrophobicContact CE1-CD1 3.76Å; F1253-I1262 HydrophobicContact CE1-CG1 3.81Å; F1253-I1262 HydrophobicContact CG-CG1 4.39Å; F1253-I1262 HydrophobicContact CZ-CD1 4.17Å; I1262-T1264 HydrophobicContact CG2-CG2 4.21Å; I1262-A1274 PolarHBondContact N-O 3.01Å; I1262-A1274 PolarHBondContact O-N 3.41Å; I1262-L1276 HydrophobicContact CD1-CD1 3.96Å; I1262-L1276 HydrophobicContact CG1-CD1 4.4Å |
| 1263 | V | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.2 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | S1251 K1252 V1254 V1271 R1272 L1273 L1288 L1298 V1308 L1322 | S1251-V1263 WeakPolarHBondContact CA-O 3.15Å; K1252-V1263 PolarHBondContact N-O 3Å; K1252-V1263 PolarHBondContact O-N 3.38Å; V1254-V1263 HydrophobicContact CG2-CG2 3.62Å; V1263-V1271 HydrophobicContact CG1-CG1 3.75Å; V1263-R1272 CarbonylContact C-O 3.58Å; V1263-R1272 VanDerWaalsContact CA-O 3.25Å; V1263-R1272 WeakPolarHBondContact CA-O 3.33Å; V1263-R1272 WeakPolarHBondContact CG1-O 3.49Å; V1263-L1273 HydrophobicContact CG2-CD1 3.39Å; V1263-L1288 HydrophobicContact CG1-CD1 4.15Å; V1263-L1288 HydrophobicContact CG2-CD1 4.19Å; V1263-L1298 HydrophobicContact CB-CD1 4.42Å; V1263-L1298 HydrophobicContact CG1-CD1 3.79Å; V1263-L1298 HydrophobicContact CG1-CD2 4.46Å; V1263-V1308 HydrophobicContact CG1-CG1 4.28Å; V1263-V1308 HydrophobicContact CG2-CG2 4.23Å; V1263-L1322 HydrophobicContact CG2-CD2 4.43Å |
| 1264 | T | 96.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.9 | -179.2 | 59.5 | 0 | 0 | 0 | 0 | 112 | V1226 T1242 H1244 V1248 Q1250 I1262 V1271 R1272 | V1226-T1264 HydrophobicContact CG2-CG2 3.85Å; T1242-T1264 HydrophobicContact CG2-CG2 4.01Å; H1244-T1264 PolarHBondContact CD2-OG1 2.89Å; H1244-T1264 PolarHBondContact NE2-OG1 2.89Å; V1248-T1264 HydrophobicContact CG1-CG2 4.43Å; Q1250-T1264 CarbonylContact O-C 3.25Å; Q1250-T1264 WeakPolarHBondContact O-CA 3.42Å; I1262-T1264 HydrophobicContact CG2-CG2 4.21Å; T1264-V1271 CarbonylContact O-C 3.54Å; T1264-V1271 VanDerWaalsContact O-CA 3.31Å; T1264-V1271 WeakPolarHBondContact O-CA 3.49Å; T1264-R1272 PolarHBondContact N-O 3.48Å; T1264-R1272 PolarHBondContact O-N 2.95Å |
| 1265 | C | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152 | 167 | 73.3 | 0 | 0 | 0 | 0 | 110.6 | F1249 Q1250 V1271 C1295 L1298 | F1249-C1265 PolarHBondContact N-O 2.81Å; Q1250-C1265 VanDerWaalsContact CB-SG 3.56Å; Q1250-C1265 PolarHBondContact N-O 3.36Å; Q1250-C1265 VanDerWaalsContact N-O 3.14Å; Q1250-C1265 PolarHBondContact O-N 3.49Å; C1265-V1271 HydrophobicContact CB-CG2 4.29Å; C1265-C1295 HydrophobicContact CB-CB 4.14Å; C1265-C1295 PolarHBondContact SG-O 3.06Å; C1265-L1298 HydrophobicContact CB-CD1 4.01Å; C1265-L1298 HydrophobicContact CB-CD2 4.02Å; C1265-L1298 HydrophobicContact CB-CG 3.92Å |
| 1266 | A | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 170 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1244 N1247 D1268 G1269 C1295 | H1244-A1266 HydrophobicContact CB-CB 3.87Å; H1244-A1266 VanDerWaalsContact CG-CB 3.45Å; H1244-A1266 VanDerWaalsContact ND1-CB 3.31Å; H1244-A1266 WeakPolarHBondContact ND1-CB 3.42Å; N1247-A1266 CarbonylContact O-C 3.59Å; N1247-A1266 VanDerWaalsContact O-CA 3.24Å; N1247-A1266 WeakPolarHBondContact O-CA 3.46Å; N1247-A1266 VanDerWaalsContact O-CB 3.25Å; N1247-A1266 WeakPolarHBondContact O-CB 3.14Å; A1266-D1268 PolarHBondContact O-N 3.13Å; A1266-D1268 VanDerWaalsContact O-N 3.15Å; A1266-G1269 PolarHBondContact O-N 2.87Å; A1266-C1295 PolarHBondContact O-N 3.41Å |
| 1267 | R | 94.9 | Very high | 91.4 | Very high | 126 Ų | 126 | 25.5 Ų | 25.5 | 48% | 0.475 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.6 | 174.2 | -165.6 | -179.9 | -176.7 | -175.2 | 2.3 | 113.5 | L1246 N1247 F1249 G1269 T1294 | L1246-R1267 HydrophobicContact CB-CB 3.78Å; L1246-R1267 HydrophobicContact CB-CG 4.43Å; L1246-R1267 HydrophobicContact CD1-CB 4.29Å; L1246-R1267 HydrophobicContact CD1-CG 4.16Å; N1247-R1267 HydrophobicContact CB-CB 4.22Å; N1247-R1267 PolarHBondContact O-N 2.72Å; F1249-R1267 HydrophobicContact CD2-CB 4.29Å; F1249-R1267 HydrophobicContact CE1-CB 4.36Å; F1249-R1267 HydrophobicContact CE2-CB 3.57Å; F1249-R1267 HydrophobicContact CE2-CG 3.9Å; F1249-R1267 HydrophobicContact CZ-CB 3.62Å; F1249-R1267 HydrophobicContact CZ-CG 3.78Å; R1267-G1269 PolarHBondContact O-N 3.49Å; R1267-T1294 HydrophobicContact CG-CG2 3.78Å; R1267-T1294 WeakPolarHBondContact O-CG2 3.44Å |
| 1268 | D | 93.7 | Very high | 91.2 | Very high | 25 Ų | 25 | 30 Ų | 30 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -0.4 | 173.4 | 71.9 | 10.1 | 0 | 0 | 0 | 114 | H1244 R1245 L1246 A1266 H1270 | H1244-D1268 VanDerWaalsContact CA-OD2 3.29Å; H1244-D1268 WeakPolarHBondContact CA-OD2 3.35Å; H1244-D1268 IonicContact CE1-OD1 3Å; H1244-D1268 IonicContact CG-OD2 2.82Å; H1244-D1268 IonicContact ND1-OD1 2.67Å; H1244-D1268 PolarHBondContact ND1-OD1 3.25Å; H1244-D1268 IonicContact ND1-OD2 3.96Å; H1244-D1268 PolarHBondContact ND1-OD2 2.91Å; R1245-D1268 HydrophobicContact CB-CB 4.38Å; R1245-D1268 PolarHBondContact N-OD2 3.48Å; L1246-D1268 HydrophobicContact CB-CB 4.29Å; L1246-D1268 HydrophobicContact CD1-CB 4.33Å; L1246-D1268 HydrophobicContact CG-CB 4.37Å; A1266-D1268 PolarHBondContact O-N 3.13Å; A1266-D1268 VanDerWaalsContact O-N 3.15Å; D1268-H1270 VanDerWaalsContact CG-ND1 3.35Å; D1268-H1270 PolarHBondContact O-CE1 3.12Å; D1268-H1270 PolarHBondContact O-N 3.33Å; D1268-H1270 PolarHBondContact O-ND1 3.07Å; D1268-H1270 VanDerWaalsContact OD1-CB 3.23Å; D1268-H1270 WeakPolarHBondContact OD1-CB 3.28Å; D1268-H1270 IonicContact OD1-CG 2.8Å; D1268-H1270 PolarHBondContact OD1-N 2.79Å; D1268-H1270 IonicContact OD1-ND1 3.61Å; D1268-H1270 PolarHBondContact OD1-ND1 3Å; D1268-H1270 IonicContact OD2-ND1 2.95Å |
| 1269 | G | 93.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 75 | 1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1266 R1267 R1290 H1291 G1293 | A1266-G1269 PolarHBondContact O-N 2.87Å; R1267-G1269 PolarHBondContact O-N 3.49Å; G1269-R1290 CarbonylContact O-C 3.55Å; G1269-R1290 WeakPolarHBondContact O-CA 3.29Å; G1269-H1291 PolarHBondContact O-N 2.93Å; G1269-G1293 VanDerWaalsContact CA-O 3.25Å; G1269-G1293 WeakPolarHBondContact CA-O 3.16Å |
| 1270 | H | 95.7 | Very high | 90 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 14% | 0.139 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 154.4 | 177.5 | -59.1 | 59.5 | 0 | 0 | 0 | 110.1 | H1244 D1268 L1287 A1289 | H1244-H1270 PolarHBondContact CE1-O 3.15Å; H1244-H1270 VanDerWaalsContact CE1-O 3.3Å; D1268-H1270 VanDerWaalsContact CG-ND1 3.35Å; D1268-H1270 PolarHBondContact O-CE1 3.12Å; D1268-H1270 PolarHBondContact O-N 3.33Å; D1268-H1270 PolarHBondContact O-ND1 3.07Å; D1268-H1270 VanDerWaalsContact OD1-CB 3.23Å; D1268-H1270 WeakPolarHBondContact OD1-CB 3.28Å; D1268-H1270 IonicContact OD1-CG 2.8Å; D1268-H1270 PolarHBondContact OD1-N 2.79Å; D1268-H1270 IonicContact OD1-ND1 3.61Å; D1268-H1270 PolarHBondContact OD1-ND1 3Å; D1268-H1270 IonicContact OD2-ND1 2.95Å; H1270-L1287 HydrophobicContact CB-CD1 3.72Å; H1270-A1289 CarbonylContact C-O 3.55Å; H1270-A1289 WeakPolarHBondContact CA-O 3.07Å |
| 1271 | V | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.9 | 168.1 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | V1263 T1264 C1265 L1288 A1289 L1298 I1320 | V1263-V1271 HydrophobicContact CG1-CG1 3.75Å; T1264-V1271 CarbonylContact O-C 3.54Å; T1264-V1271 VanDerWaalsContact O-CA 3.31Å; T1264-V1271 WeakPolarHBondContact O-CA 3.49Å; C1265-V1271 HydrophobicContact CB-CG2 4.29Å; V1271-L1288 HydrophobicContact CG1-CD1 4.4Å; V1271-L1288 WeakPolarHBondContact O-CB 3.39Å; V1271-L1288 PolarHBondContact O-N 2.75Å; V1271-A1289 HydrophobicContact CB-CB 4.17Å; V1271-A1289 HydrophobicContact CG2-CB 4.39Å; V1271-A1289 PolarHBondContact N-O 3.1Å; V1271-A1289 PolarHBondContact O-N 3.08Å; V1271-L1298 HydrophobicContact CG1-CD2 3.84Å; V1271-L1298 HydrophobicContact CG2-CD2 4.44Å; V1271-I1320 HydrophobicContact CB-CD1 4.31Å; V1271-I1320 HydrophobicContact CG1-CD1 4.03Å |
| 1272 | R | 94.6 | Very high | 89.3 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.4 | -171.9 | -66.1 | 179.8 | 169.7 | -123.6 | -4.8 | 111.9 | T1242 G1243 V1263 T1264 T1285 R1286 L1287 | T1242-R1272 WeakPolarHBondContact O-CD 3.31Å; T1242-R1272 PolarHBondContact O-NH1 2.81Å; G1243-R1272 PolarHBondContact O-NH1 3.43Å; G1243-R1272 PolarHBondContact O-NH2 3.06Å; V1263-R1272 CarbonylContact C-O 3.58Å; V1263-R1272 VanDerWaalsContact CA-O 3.25Å; V1263-R1272 WeakPolarHBondContact CA-O 3.33Å; V1263-R1272 WeakPolarHBondContact CG1-O 3.49Å; T1264-R1272 PolarHBondContact N-O 3.48Å; T1264-R1272 PolarHBondContact O-N 2.95Å; R1272-T1285 PolarHBondContact NH1-OG1 3.21Å; R1272-R1286 CarbonylContact C-O 3.5Å; R1272-R1286 VanDerWaalsContact CA-O 3.26Å; R1272-R1286 WeakPolarHBondContact CA-O 3.49Å; R1272-L1287 HydrophobicContact CG-CD1 4.35Å |
| 1273 | L | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.1 | 165.5 | -173.1 | 72 | 0 | 0 | 0 | 108.6 | V1254 Q1261 V1263 E1275 T1285 R1286 L1288 L1322 | V1254-L1273 HydrophobicContact CG2-CD1 3.99Å; Q1261-L1273 HydrophobicContact CB-CD1 3.99Å; Q1261-L1273 HydrophobicContact CG-CD1 4.25Å; V1263-L1273 HydrophobicContact CG2-CD1 3.39Å; L1273-E1275 HydrophobicContact CD2-CG 3.83Å; L1273-E1275 VanDerWaalsContact CD2-OE1 3.31Å; L1273-E1275 WeakPolarHBondContact CD2-OE1 3.25Å; L1273-E1275 HydrophobicContact CG-CG 4.09Å; L1273-T1285 CarbonylContact O-C 3.52Å; L1273-T1285 WeakPolarHBondContact O-CA 3.49Å; L1273-R1286 HydrophobicContact CB-CG 3.95Å; L1273-R1286 HydrophobicContact CD2-CG 4.49Å; L1273-R1286 PolarHBondContact N-O 3.01Å; L1273-R1286 PolarHBondContact O-N 3.31Å; L1273-L1288 HydrophobicContact CB-CD1 3.99Å; L1273-L1288 HydrophobicContact CB-CD2 3.99Å; L1273-L1288 HydrophobicContact CB-CG 4.04Å; L1273-L1322 HydrophobicContact CD1-CD1 4.32Å; L1273-L1322 HydrophobicContact CD1-CD2 4.3Å; L1273-L1322 HydrophobicContact CD2-CD2 4.47Å |
| 1274 | A | 93.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | F1240 Q1261 I1262 T1285 | F1240-A1274 HydrophobicContact CD2-CB 4.28Å; F1240-A1274 HydrophobicContact CE2-CB 3.36Å; F1240-A1274 HydrophobicContact CZ-CB 3.65Å; Q1261-A1274 WeakPolarHBondContact CA-O 3.05Å; I1262-A1274 PolarHBondContact N-O 3.01Å; I1262-A1274 PolarHBondContact O-N 3.41Å; A1274-T1285 HydrophobicContact CB-CG2 4.11Å |
| 1275 | E | 91.4 | Very high | 88.4 | Confident | 61 Ų | 61 | 41.7 Ų | 41.7 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.6 | 175.8 | -66.9 | 175 | -162.7 | 0 | 0 | 107.9 | Q1261 L1273 L1283 A1284 R1286 | Q1261-E1275 HydrophobicContact CG-CG 4.35Å; L1273-E1275 HydrophobicContact CD2-CG 3.83Å; L1273-E1275 VanDerWaalsContact CD2-OE1 3.31Å; L1273-E1275 WeakPolarHBondContact CD2-OE1 3.25Å; L1273-E1275 HydrophobicContact CG-CG 4.09Å; E1275-L1283 PolarHBondContact O-N 3.14Å; E1275-A1284 PolarHBondContact N-O 3Å; E1275-R1286 IonicContact OE1-CZ 2.7Å; E1275-R1286 IonicContact OE1-NE 3.37Å; E1275-R1286 PolarHBondContact OE1-NE 3.2Å; E1275-R1286 IonicContact OE1-NH2 3.47Å |
| 1276 | L | 89.9 | Confident | 88.3 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 144.6 | 179.6 | -57.6 | -178.4 | 0 | 0 | 0 | 109.9 | V1228 F1240 L1260 I1262 S1281 C1282 | V1228-L1276 HydrophobicContact CG2-CD1 4.29Å; F1240-L1276 HydrophobicContact CD1-CD2 4.07Å; F1240-L1276 HydrophobicContact CE1-CD2 3.87Å; F1240-L1276 HydrophobicContact CZ-CD2 4.4Å; L1260-L1276 PolarHBondContact O-N 3.14Å; I1262-L1276 HydrophobicContact CD1-CD1 3.96Å; I1262-L1276 HydrophobicContact CG1-CD1 4.4Å; L1276-S1281 CarbonylContact C-O 3.6Å; L1276-S1281 WeakPolarHBondContact CA-O 3.26Å; L1276-C1282 HydrophobicContact CD2-CB 3.79Å |
| 1277 | S | 82.3 | Confident | 88.1 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 157.9 | 171.9 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | D1279 G1280 S1281 | S1277-D1279 PolarHBondContact O-N 2.94Å; S1277-D1279 VanDerWaalsContact O-N 3.12Å; S1277-D1279 PolarHBondContact OG-OD1 3.44Å; S1277-G1280 PolarHBondContact O-N 3.42Å; S1277-S1281 PolarHBondContact N-O 2.92Å; S1277-S1281 PolarHBondContact OG-N 3.25Å; S1277-S1281 PolarHBondContact OG-O 3.34Å; S1277-S1281 PolarHBondContact OG-OG 2.68Å |
| 1278 | P | 77.5 | Confident | 88 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.5 | -179.1 | -25.6 | 36.1 | 0 | 0 | 0 | 115.4 | L1260 G1280 | L1260-P1278 HydrophobicContact CD1-CG 4.34Å; L1260-P1278 HydrophobicContact CD2-CG 4.29Å; P1278-G1280 VanDerWaalsContact C-N 3.31Å |
| 1279 | D | 72.4 | Confident | 88 | Confident | 131 Ų | 131 | 44.8 Ų | 44.8 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.7 | 172.8 | 60.5 | 37.8 | 0 | 0 | 0 | 113.8 | S1277 S1281 | S1277-D1279 PolarHBondContact O-N 2.94Å; S1277-D1279 VanDerWaalsContact O-N 3.12Å; S1277-D1279 PolarHBondContact OG-OD1 3.44Å; D1279-S1281 WeakPolarHBondContact OD1-CB 3.44Å; D1279-S1281 PolarHBondContact OD1-N 3.23Å; D1279-S1281 PolarHBondContact OD1-OG 2.97Å |
| 1280 | G | 65.7 | Low | 88 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 106.8 | -16.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1238 S1277 P1278 | V1238-G1280 VanDerWaalsContact CB-O 3.24Å; V1238-G1280 WeakPolarHBondContact CB-O 3.42Å; V1238-G1280 VanDerWaalsContact CG1-O 3.26Å; V1238-G1280 WeakPolarHBondContact CG1-O 3.38Å; V1238-G1280 WeakPolarHBondContact CG2-O 3.45Å; S1277-G1280 PolarHBondContact O-N 3.42Å; P1278-G1280 VanDerWaalsContact C-N 3.31Å |
| 1281 | S | 79.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | trans | -72 | 151.3 | -177.4 | 79.9 | 0 | 0 | 0 | 0 | 112.7 | L1276 S1277 D1279 | L1276-S1281 CarbonylContact C-O 3.6Å; L1276-S1281 WeakPolarHBondContact CA-O 3.26Å; S1277-S1281 PolarHBondContact N-O 2.92Å; S1277-S1281 PolarHBondContact OG-N 3.25Å; S1277-S1281 PolarHBondContact OG-O 3.34Å; S1277-S1281 PolarHBondContact OG-OG 2.68Å; D1279-S1281 WeakPolarHBondContact OD1-CB 3.44Å; D1279-S1281 PolarHBondContact OD1-N 3.23Å; D1279-S1281 PolarHBondContact OD1-OG 2.97Å | ||
| 1282 | C | 85.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122 | 171.8 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | F1240 L1276 | F1240-C1282 HydrophobicContact CB-CB 3.62Å; F1240-C1282 HydrophobicContact CD1-CB 4.28Å; F1240-C1282 HydrophobicContact CD2-CB 4.24Å; F1240-C1282 HydrophobicContact CG-CB 3.81Å; L1276-C1282 HydrophobicContact CD2-CB 3.79Å |
| 1283 | L | 87 | Confident | 87.5 | Confident | 120 Ų | 120 | 55 Ų | 55 | 63% | 0.628 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -44.8 | -179.3 | -68.5 | 172.4 | 0 | 0 | 0 | 111.9 | E1275 | E1275-L1283 PolarHBondContact O-N 3.14Å |
| 1284 | A | 88.2 | Confident | 87.5 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 153.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1275 | E1275-A1284 PolarHBondContact N-O 3Å |
| 1285 | T | 91.5 | Very high | 87.5 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.3 | 164 | 63.2 | 0 | 0 | 0 | 0 | 109.7 | T1242 R1272 L1273 A1274 | T1242-T1285 PolarHBondContact O-OG1 3.31Å; R1272-T1285 PolarHBondContact NH1-OG1 3.21Å; L1273-T1285 CarbonylContact O-C 3.52Å; L1273-T1285 WeakPolarHBondContact O-CA 3.49Å; A1274-T1285 HydrophobicContact CB-CG2 4.11Å |
| 1286 | R | 91.7 | Very high | 87.5 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.3 | 178.2 | 66.1 | 175.1 | 174.5 | 110.9 | -6.3 | 112.3 | R1272 L1273 E1275 L1288 L1322 | R1272-R1286 CarbonylContact C-O 3.5Å; R1272-R1286 VanDerWaalsContact CA-O 3.26Å; R1272-R1286 WeakPolarHBondContact CA-O 3.49Å; L1273-R1286 HydrophobicContact CB-CG 3.95Å; L1273-R1286 HydrophobicContact CD2-CG 4.49Å; L1273-R1286 PolarHBondContact N-O 3.01Å; L1273-R1286 PolarHBondContact O-N 3.31Å; E1275-R1286 IonicContact OE1-CZ 2.7Å; E1275-R1286 IonicContact OE1-NE 3.37Å; E1275-R1286 PolarHBondContact OE1-NE 3.2Å; E1275-R1286 IonicContact OE1-NH2 3.47Å; R1286-L1288 HydrophobicContact CG-CD2 4.5Å; R1286-L1322 PolarHBondContact NH2-O 2.91Å |
| 1287 | L | 93.2 | Very high | 87.6 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.7 | 173.9 | -177.9 | 58.7 | 0 | 0 | 0 | 110 | H1270 R1272 A1289 | H1270-L1287 HydrophobicContact CB-CD1 3.72Å; R1272-L1287 HydrophobicContact CG-CD1 4.35Å; L1287-A1289 WeakPolarHBondContact CD1-O 3.47Å |
| 1288 | L | 92.4 | Very high | 88.2 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.131 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -48.4 | 175.9 | -59.8 | 176.1 | 0 | 0 | 0 | 111.6 | V1263 V1271 L1273 R1286 I1320 L1322 | V1263-L1288 HydrophobicContact CG1-CD1 4.15Å; V1263-L1288 HydrophobicContact CG2-CD1 4.19Å; V1271-L1288 HydrophobicContact CG1-CD1 4.4Å; V1271-L1288 WeakPolarHBondContact O-CB 3.39Å; V1271-L1288 PolarHBondContact O-N 2.75Å; L1273-L1288 HydrophobicContact CB-CD1 3.99Å; L1273-L1288 HydrophobicContact CB-CD2 3.99Å; L1273-L1288 HydrophobicContact CB-CG 4.04Å; R1286-L1288 HydrophobicContact CG-CD2 4.5Å; L1288-I1320 HydrophobicContact CB-CG2 3.98Å; L1288-I1320 HydrophobicContact CD1-CG2 4.19Å; L1288-L1322 HydrophobicContact CD1-CD2 3.44Å; L1288-L1322 VanDerWaalsContact CD1-CD2 3.44Å; L1288-L1322 HydrophobicContact CD2-CD2 3.8Å; L1288-L1322 HydrophobicContact CG-CD2 4.26Å |
| 1289 | A | 92.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 163.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1270 V1271 L1287 F1318 I1320 K1327 | H1270-A1289 CarbonylContact C-O 3.55Å; H1270-A1289 WeakPolarHBondContact CA-O 3.07Å; V1271-A1289 HydrophobicContact CB-CB 4.17Å; V1271-A1289 HydrophobicContact CG2-CB 4.39Å; V1271-A1289 PolarHBondContact N-O 3.1Å; V1271-A1289 PolarHBondContact O-N 3.08Å; L1287-A1289 WeakPolarHBondContact CD1-O 3.47Å; A1289-F1318 HydrophobicContact CB-CD2 4.07Å; A1289-I1320 HydrophobicContact CB-CD1 3.56Å; A1289-I1320 HydrophobicContact CB-CG1 4.25Å; A1289-K1327 HydrophobicContact CB-CB 4.37Å; A1289-K1327 HydrophobicContact CB-CD 3.69Å |
| 1290 | R | 93.5 | Very high | 89.6 | Confident | 160 Ų | 160 | 44.3 Ų | 44.3 | 60% | 0.604 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 125.8 | 171.6 | -179.7 | 173.5 | 174.6 | -166.5 | -2 | 109.2 | G1269 F1318 K1327 | G1269-R1290 CarbonylContact O-C 3.55Å; G1269-R1290 WeakPolarHBondContact O-CA 3.29Å; R1290-F1318 WeakPolarHBondContact O-CE2 3.1Å; R1290-K1327 PolarHBondContact O-NZ 3.48Å |
| 1291 | H | 94.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.023 | 25% | 0.25 | C | C | . | . | trans | -81.6 | 160.7 | 165.3 | -74.3 | -90 | 0 | 0 | 0 | 109.7 | G1269 G1293 C1295 S1310 D1314 Q1316 F1318 | G1269-H1291 PolarHBondContact O-N 2.93Å; H1291-G1293 WeakPolarHBondContact CB-O 3.48Å; H1291-C1295 VanDerWaalsContact CD2-SG 3.53Å; H1291-S1310 PolarHBondContact NE2-OG 3.19Å; H1291-D1314 VanDerWaalsContact CA-OD2 3.32Å; H1291-D1314 WeakPolarHBondContact CA-OD2 3.31Å; H1291-D1314 WeakPolarHBondContact CB-OD2 3.16Å; H1291-D1314 IonicContact CE1-OD1 3.2Å; H1291-D1314 IonicContact CG-OD1 3.76Å; H1291-D1314 IonicContact CG-OD2 2.74Å; H1291-D1314 IonicContact ND1-OD1 3.64Å; H1291-D1314 PolarHBondContact ND1-OD1 2.89Å; H1291-D1314 IonicContact ND1-OD2 3.52Å; H1291-D1314 PolarHBondContact ND1-OD2 3.1Å; H1291-Q1316 PolarHBondContact CE1-O 2.9Å; H1291-Q1316 VanDerWaalsContact CE1-O 3.28Å; H1291-F1318 HydrophobicContact CB-CE2 4.15Å; H1291-F1318 AromaticContact CD2-CD2 3.76Å; H1291-F1318 AromaticContact CD2-CE2 3.48Å; H1291-F1318 VanDerWaalsContact CD2-CE2 3.48Å; H1291-F1318 WeakPolarHBondContact CD2-CE2 3.24Å; H1291-F1318 AromaticContact CE1-CD2 3.42Å; H1291-F1318 VanDerWaalsContact CE1-CD2 3.42Å; H1291-F1318 WeakPolarHBondContact CE1-CD2 3.22Å; H1291-F1318 AromaticContact CE1-CE2 3.28Å; H1291-F1318 WeakPolarHBondContact CE1-CE2 3.36Å; H1291-F1318 AromaticContact CE1-CZ 3.84Å; H1291-F1318 AromaticContact CG-CE2 3.39Å; H1291-F1318 AromaticContact ND1-CD2 3.92Å; H1291-F1318 AromaticContact ND1-CE2 3.28Å; H1291-F1318 VanDerWaalsContact ND1-CE2 3.28Å; H1291-F1318 WeakPolarHBondContact ND1-CE2 3.19Å; H1291-F1318 AromaticContact ND1-CZ 3.62Å; H1291-F1318 AromaticContact NE2-CD2 3.28Å; H1291-F1318 VanDerWaalsContact NE2-CD2 3.28Å; H1291-F1318 WeakPolarHBondContact NE2-CD2 3.36Å; H1291-F1318 AromaticContact NE2-CE2 3.4Å; H1291-F1318 WeakPolarHBondContact NE2-CE2 3.32Å | ||
| 1292 | A | 90.4 | Very high | 90.3 | Very high | 95 Ų | 95 | 43.7 Ų | 43.7 | 79% | 0.785 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -84.6 | -16.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1314 | A1292-D1314 HydrophobicContact CB-CB 3.91Å; A1292-D1314 PolarHBondContact N-OD2 3.32Å |
| 1293 | G | 90 | Very high | 89.7 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -119.7 | -165.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | G1269 H1291 | G1269-G1293 VanDerWaalsContact CA-O 3.25Å; G1269-G1293 WeakPolarHBondContact CA-O 3.16Å; H1291-G1293 WeakPolarHBondContact CB-O 3.48Å |
| 1294 | T | 94 | Very high | 89.4 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | trans | -69 | 159 | 179.5 | 87.5 | 0 | 0 | 0 | 0 | 112.2 | R1267 H1296 G1312 E1313 | R1267-T1294 HydrophobicContact CG-CG2 3.78Å; R1267-T1294 WeakPolarHBondContact O-CG2 3.44Å; T1294-H1296 PolarHBondContact OG1-CD2 3.11Å; T1294-H1296 PolarHBondContact OG1-CE1 3.31Å; T1294-H1296 PolarHBondContact OG1-NE2 3.14Å; T1294-G1312 CarbonylContact O-C 3.52Å; T1294-G1312 WeakPolarHBondContact O-CA 3.49Å; T1294-E1313 WeakPolarHBondContact CG2-OE2 3.38Å; T1294-E1313 PolarHBondContact N-OE2 3Å; T1294-E1313 PolarHBondContact O-N 3.07Å; T1294-E1313 PolarHBondContact OG1-OE1 2.76Å; T1294-E1313 PolarHBondContact OG1-OE2 2.82Å | ||
| 1295 | C | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -120.6 | 103.8 | -179.8 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | C1265 A1266 H1291 C1311 | C1265-C1295 HydrophobicContact CB-CB 4.14Å; C1265-C1295 PolarHBondContact SG-O 3.06Å; A1266-C1295 PolarHBondContact O-N 3.41Å; H1291-C1295 VanDerWaalsContact CD2-SG 3.53Å; C1295-C1311 PolarHBondContact SG-O 3.19Å | ||
| 1296 | H | 91.3 | Very high | 88.4 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | trans | -84.9 | -36.2 | -169.2 | -71.2 | -79.5 | 0 | 0 | 0 | 114.3 | F1249 T1294 E1313 Y1348 | F1249-H1296 AromaticContact CD2-ND1 3.8Å; F1249-H1296 AromaticContact CE2-CE1 3.82Å; F1249-H1296 AromaticContact CE2-ND1 3.73Å; T1294-H1296 PolarHBondContact OG1-CD2 3.11Å; T1294-H1296 PolarHBondContact OG1-CE1 3.31Å; T1294-H1296 PolarHBondContact OG1-NE2 3.14Å; H1296-E1313 IonicContact CD2-OE1 2.82Å; H1296-E1313 IonicContact CE1-OE1 3Å; H1296-E1313 IonicContact NE2-OE1 3.3Å; H1296-E1313 PolarHBondContact NE2-OE1 3.09Å; H1296-Y1348 WeakPolarHBondContact CB-O 3.45Å; H1296-Y1348 AromaticContact CD2-CD1 3.66Å; H1296-Y1348 AromaticContact NE2-CD1 3.66Å | ||
| 1297 | K | 92.4 | Very high | 88.3 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 10% | 0.1 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148.3 | -167.8 | -153.5 | 171.7 | 178.5 | -176.4 | 0 | 113.8 | C1311 S1349 I1350 C1402 A1403 | K1297-C1311 PolarHBondContact O-N 3.44Å; K1297-S1349 WeakPolarHBondContact CD-OG 3.25Å; K1297-S1349 PolarHBondContact NZ-OG 2.86Å; K1297-I1350 HydrophobicContact CB-CG2 4.25Å; K1297-I1350 WeakPolarHBondContact CE-O 3.38Å; K1297-C1402 PolarHBondContact NZ-SG 2.68Å; K1297-A1403 PolarHBondContact NZ-O 2.95Å |
| 1298 | L | 93.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.7 | 180 | -62.5 | 168.5 | 0 | 0 | 0 | 110.9 | Q1250 K1252 V1263 C1265 V1271 V1308 L1309 | Q1250-L1298 PolarHBondContact OE1-O 2.88Å; K1252-L1298 HydrophobicContact CD-CB 4.28Å; K1252-L1298 WeakPolarHBondContact CE-O 3.48Å; V1263-L1298 HydrophobicContact CB-CD1 4.42Å; V1263-L1298 HydrophobicContact CG1-CD1 3.79Å; V1263-L1298 HydrophobicContact CG1-CD2 4.46Å; C1265-L1298 HydrophobicContact CB-CD1 4.01Å; C1265-L1298 HydrophobicContact CB-CD2 4.02Å; C1265-L1298 HydrophobicContact CB-CG 3.92Å; V1271-L1298 HydrophobicContact CG1-CD2 3.84Å; V1271-L1298 HydrophobicContact CG2-CD2 4.44Å; L1298-V1308 HydrophobicContact CB-CG1 4.41Å; L1298-V1308 HydrophobicContact CD2-CG1 4.02Å; L1298-L1309 CarbonylContact C-O 3.54Å; L1298-L1309 WeakPolarHBondContact CA-O 3.23Å |
| 1299 | A | 91.7 | Very high | 88.3 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 114.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | L1309 I1350 L1352 | A1299-L1309 HydrophobicContact CB-CB 4.41Å; A1299-L1309 PolarHBondContact N-O 3.12Å; A1299-L1309 PolarHBondContact O-N 2.72Å; A1299-I1350 HydrophobicContact CB-CG1 4.34Å; A1299-I1350 HydrophobicContact CB-CG2 4.26Å; A1299-L1352 HydrophobicContact CB-CB 4.47Å; A1299-L1352 HydrophobicContact CB-CD1 3.77Å; A1299-L1352 HydrophobicContact CB-CG 3.88Å |
| 1300 | C | 88.7 | Confident | 88.4 | Confident | 22 Ų | 22 | 34 Ų | 34 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.9 | 174.1 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | P1255 | P1255-C1300 HydrophobicContact CG-CB 4.06Å |
| 1301 | D | 84.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -78.1 | 120.4 | -178.5 | -172 | -31.7 | 0 | 0 | 0 | 110.4 | D1303 S1304 L1307 L1352 S1357 R1374 | D1301-D1303 VanDerWaalsContact C-N 3.31Å; D1301-D1303 PolarHBondContact O-N 3.4Å; D1301-D1303 PolarHBondContact OD1-N 2.87Å; D1301-S1304 VanDerWaalsContact CG-CB 3.43Å; D1301-S1304 CarbonylContact O-C 3.47Å; D1301-S1304 PolarHBondContact OD1-N 3.29Å; D1301-S1304 WeakPolarHBondContact OD2-CB 3.47Å; D1301-S1304 PolarHBondContact OD2-OG 3.2Å; D1301-L1307 HydrophobicContact CB-CB 4.01Å; D1301-L1307 HydrophobicContact CB-CD2 3.99Å; D1301-L1307 PolarHBondContact N-O 3.13Å; D1301-L1352 HydrophobicContact CB-CD1 4.21Å; D1301-S1357 VanDerWaalsContact OD1-CB 3.25Å; D1301-S1357 WeakPolarHBondContact OD1-CB 3.09Å; D1301-S1357 WeakPolarHBondContact OD2-CB 3.28Å; D1301-R1374 IonicContact OD2-CZ 3.07Å; D1301-R1374 IonicContact OD2-NH1 3.63Å; D1301-R1374 PolarHBondContact OD2-NH1 3.08Å | ||
| 1302 | P | 74 | Confident | 88.4 | Confident | 59 Ų | 59 | 26.1 Ų | 26.1 | 38% | 0.383 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -73.8 | -22.1 | -177.3 | 31.5 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 1303 | D | 73.1 | Confident | 88.5 | Confident | 104 Ų | 104 | 24.8 Ų | 24.8 | 56% | 0.556 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -92.8 | -36.3 | 178.8 | -55.2 | -41.6 | 0 | 0 | 0 | 110.6 | D1301 P1305 S1357 | D1301-D1303 VanDerWaalsContact C-N 3.31Å; D1301-D1303 PolarHBondContact O-N 3.4Å; D1301-D1303 PolarHBondContact OD1-N 2.87Å; D1303-P1305 WeakPolarHBondContact O-CD 3.41Å; D1303-S1357 VanDerWaalsContact OD2-CB 3.22Å; D1303-S1357 WeakPolarHBondContact OD2-CB 3.15Å; D1303-S1357 PolarHBondContact OD2-OG 3.29Å |
| 1304 | S | 81.2 | Confident | 88.5 | Confident | 50 Ų | 50 | 24.6 Ų | 24.6 | 35% | 0.35 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -107.8 | 79 | 179.6 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | D1301 N1306 L1307 | D1301-S1304 VanDerWaalsContact CG-CB 3.43Å; D1301-S1304 CarbonylContact O-C 3.47Å; D1301-S1304 PolarHBondContact OD1-N 3.29Å; D1301-S1304 WeakPolarHBondContact OD2-CB 3.47Å; D1301-S1304 PolarHBondContact OD2-OG 3.2Å; S1304-N1306 PolarHBondContact O-N 3.34Å; S1304-L1307 WeakPolarHBondContact O-CB 3.45Å; S1304-L1307 PolarHBondContact O-N 3.14Å |
| 1305 | P | 75.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 23.7 Ų | 23.7 | 26% | 0.26 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.7 | -167.6 | 23.4 | -36 | 0 | 0 | 0 | 116 | V1254 P1255 C1256 D1303 | V1254-P1305 WeakPolarHBondContact CG1-O 3.32Å; P1255-P1305 HydrophobicContact CB-CB 4.26Å; P1255-P1305 WeakPolarHBondContact O-CB 3.35Å; C1256-P1305 HydrophobicContact CB-CB 3.82Å; C1256-P1305 HydrophobicContact CB-CG 4.23Å; D1303-P1305 WeakPolarHBondContact O-CD 3.41Å |
| 1306 | N | 83.7 | Confident | 88.2 | Confident | 58 Ų | 58 | 24.9 Ų | 24.9 | 31% | 0.31 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1 | 175.6 | -64.8 | -86.7 | 0 | 0 | 0 | 113.1 | S1304 D1321 L1322 R1323 | S1304-N1306 PolarHBondContact O-N 3.34Å; N1306-D1321 CarbonylContact O-C 3.54Å; N1306-D1321 WeakPolarHBondContact O-CA 3.49Å; N1306-L1322 WeakPolarHBondContact O-CB 3.19Å; N1306-L1322 WeakPolarHBondContact O-CG 3.34Å; N1306-L1322 PolarHBondContact O-N 3.46Å; N1306-R1323 HydrophobicContact CB-CG 3.9Å; N1306-R1323 VanDerWaalsContact OD1-CG 3.28Å; N1306-R1323 WeakPolarHBondContact OD1-CG 3.38Å |
| 1307 | L | 89.7 | Confident | 88.2 | Confident | 16 Ų | 16 | 23.5 Ų | 23.5 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129 | -168.8 | -161.9 | 111.3 | 0 | 0 | 0 | 112.5 | D1301 S1304 L1309 E1319 I1320 R1374 | D1301-L1307 HydrophobicContact CB-CB 4.01Å; D1301-L1307 HydrophobicContact CB-CD2 3.99Å; D1301-L1307 PolarHBondContact N-O 3.13Å; S1304-L1307 WeakPolarHBondContact O-CB 3.45Å; S1304-L1307 PolarHBondContact O-N 3.14Å; L1307-L1309 HydrophobicContact CD2-CD2 3.96Å; L1307-L1309 HydrophobicContact CD2-CG 4.49Å; L1307-E1319 HydrophobicContact CD1-CG 3.72Å; L1307-E1319 HydrophobicContact CD2-CG 4.26Å; L1307-E1319 HydrophobicContact CG-CG 4.13Å; L1307-I1320 WeakPolarHBondContact CA-O 3.47Å; L1307-R1374 VanDerWaalsContact CD2-CZ 3.47Å |
| 1308 | V | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.7 | 173.9 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | V1263 L1298 I1320 L1322 | V1263-V1308 HydrophobicContact CG1-CG1 4.28Å; V1263-V1308 HydrophobicContact CG2-CG2 4.23Å; L1298-V1308 HydrophobicContact CB-CG1 4.41Å; L1298-V1308 HydrophobicContact CD2-CG1 4.02Å; V1308-I1320 PolarHBondContact N-O 3.32Å; V1308-I1320 WeakPolarHBondContact O-CB 3.38Å; V1308-I1320 PolarHBondContact O-N 3.07Å; V1308-L1322 HydrophobicContact CG2-CD1 4.46Å |
| 1309 | L | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.7 | 167.3 | -51.9 | -173.1 | 0 | 0 | 0 | 109.7 | L1298 A1299 L1307 V1317 F1318 E1319 L1330 I1350 L1352 F1360 | L1298-L1309 CarbonylContact C-O 3.54Å; L1298-L1309 WeakPolarHBondContact CA-O 3.23Å; A1299-L1309 HydrophobicContact CB-CB 4.41Å; A1299-L1309 PolarHBondContact N-O 3.12Å; A1299-L1309 PolarHBondContact O-N 2.72Å; L1307-L1309 HydrophobicContact CD2-CD2 3.96Å; L1307-L1309 HydrophobicContact CD2-CG 4.49Å; L1309-V1317 HydrophobicContact CB-CG1 4.29Å; L1309-F1318 VanDerWaalsContact CA-O 3.3Å; L1309-F1318 WeakPolarHBondContact CA-O 3.47Å; L1309-E1319 HydrophobicContact CD2-CB 3.66Å; L1309-E1319 HydrophobicContact CD2-CG 3.84Å; L1309-L1330 HydrophobicContact CD1-CD2 4.06Å; L1309-L1330 HydrophobicContact CD2-CD2 3.86Å; L1309-I1350 HydrophobicContact CB-CD1 3.76Å; L1309-I1350 HydrophobicContact CD1-CD1 4.07Å; L1309-L1352 HydrophobicContact CD1-CD2 3.98Å; L1309-L1352 HydrophobicContact CD1-CG 4.3Å; L1309-F1360 HydrophobicContact CD1-CB 4.47Å; L1309-F1360 HydrophobicContact CD1-CG 4.3Å |
| 1310 | S | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.5 | 173.5 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | H1291 V1317 F1318 | H1291-S1310 PolarHBondContact NE2-OG 3.19Å; S1310-V1317 CarbonylContact O-C 3.53Å; S1310-V1317 VanDerWaalsContact O-CA 3.27Å; S1310-V1317 WeakPolarHBondContact O-CA 3.2Å; S1310-F1318 PolarHBondContact N-O 3.38Å; S1310-F1318 VanDerWaalsContact N-O 3.08Å; S1310-F1318 PolarHBondContact O-N 3.1Å |
| 1311 | C | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154.1 | 172.6 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | C1295 K1297 V1317 L1347 I1350 | C1295-C1311 PolarHBondContact SG-O 3.19Å; K1297-C1311 PolarHBondContact O-N 3.44Å; C1311-V1317 HydrophobicContact CB-CG2 4.35Å; C1311-L1347 HydrophobicContact CB-CB 3.85Å; C1311-L1347 HydrophobicContact CB-CD1 3.96Å; C1311-I1350 HydrophobicContact CB-CB 4.16Å; C1311-I1350 HydrophobicContact CB-CG2 4.2Å |
| 1312 | G | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -156.1 | 177 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1294 D1314 G1315 Q1316 L1347 | T1294-G1312 CarbonylContact O-C 3.52Å; T1294-G1312 WeakPolarHBondContact O-CA 3.49Å; G1312-D1314 PolarHBondContact O-N 3.4Å; G1312-D1314 VanDerWaalsContact O-N 3.13Å; G1312-G1315 PolarHBondContact O-N 2.69Å; G1312-G1315 VanDerWaalsContact O-N 3.11Å; G1312-Q1316 PolarHBondContact N-O 3.3Å; G1312-L1347 CarbonylContact C-O 3.58Å; G1312-L1347 PolarHBondContact O-N 3.45Å; G1312-L1347 VanDerWaalsContact O-N 3.13Å | ||
| 1313 | E | 92.9 | Very high | 89 | Confident | 66 Ų | 66 | 30.2 Ų | 30.2 | 31% | 0.308 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11.3 | -175.3 | -69.4 | 164.9 | -176 | 0 | 0 | 114.1 | T1294 H1296 G1315 P1346 Y1348 | T1294-E1313 WeakPolarHBondContact CG2-OE2 3.38Å; T1294-E1313 PolarHBondContact N-OE2 3Å; T1294-E1313 PolarHBondContact O-N 3.07Å; T1294-E1313 PolarHBondContact OG1-OE1 2.76Å; T1294-E1313 PolarHBondContact OG1-OE2 2.82Å; H1296-E1313 IonicContact CD2-OE1 2.82Å; H1296-E1313 IonicContact CE1-OE1 3Å; H1296-E1313 IonicContact NE2-OE1 3.3Å; H1296-E1313 PolarHBondContact NE2-OE1 3.09Å; E1313-G1315 PolarHBondContact O-N 3.27Å; E1313-P1346 HydrophobicContact CB-CB 4.11Å; E1313-P1346 HydrophobicContact CG-CB 4.23Å; E1313-P1346 WeakPolarHBondContact O-CA 3.39Å; E1313-Y1348 HydrophobicContact CG-CE1 4.31Å |
| 1314 | D | 90.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.107 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 1.2 | 172.2 | 61.9 | 2.7 | 0 | 0 | 0 | 113.8 | H1291 A1292 G1312 Q1316 S1344 | H1291-D1314 VanDerWaalsContact CA-OD2 3.32Å; H1291-D1314 WeakPolarHBondContact CA-OD2 3.31Å; H1291-D1314 WeakPolarHBondContact CB-OD2 3.16Å; H1291-D1314 IonicContact CE1-OD1 3.2Å; H1291-D1314 IonicContact CG-OD1 3.76Å; H1291-D1314 IonicContact CG-OD2 2.74Å; H1291-D1314 IonicContact ND1-OD1 3.64Å; H1291-D1314 PolarHBondContact ND1-OD1 2.89Å; H1291-D1314 IonicContact ND1-OD2 3.52Å; H1291-D1314 PolarHBondContact ND1-OD2 3.1Å; A1292-D1314 HydrophobicContact CB-CB 3.91Å; A1292-D1314 PolarHBondContact N-OD2 3.32Å; G1312-D1314 PolarHBondContact O-N 3.4Å; G1312-D1314 VanDerWaalsContact O-N 3.13Å; D1314-Q1316 PolarHBondContact O-N 3.12Å; D1314-Q1316 WeakPolarHBondContact OD1-CB 3.49Å; D1314-Q1316 PolarHBondContact OD1-N 3.25Å; D1314-S1344 WeakPolarHBondContact O-CB 3.38Å; D1314-S1344 PolarHBondContact O-OG 2.81Å |
| 1315 | G | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 67.7 | 22.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1312 E1313 R1332 V1333 I1345 | G1312-G1315 PolarHBondContact O-N 2.69Å; G1312-G1315 VanDerWaalsContact O-N 3.11Å; E1313-G1315 PolarHBondContact O-N 3.27Å; G1315-R1332 CarbonylContact O-C 3.59Å; G1315-R1332 VanDerWaalsContact O-CA 3.31Å; G1315-R1332 WeakPolarHBondContact O-CA 3.29Å; G1315-R1332 WeakPolarHBondContact O-CG 3.34Å; G1315-V1333 PolarHBondContact O-N 3.03Å; G1315-I1345 WeakPolarHBondContact CA-O 3.37Å |
| 1316 | Q | 91.9 | Very high | 89.4 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.8 | 179.5 | -68.3 | 164.8 | 71.6 | 0 | 0 | 110 | H1291 G1312 D1314 F1318 I1329 R1332 | H1291-Q1316 PolarHBondContact CE1-O 2.9Å; H1291-Q1316 VanDerWaalsContact CE1-O 3.28Å; G1312-Q1316 PolarHBondContact N-O 3.3Å; D1314-Q1316 PolarHBondContact O-N 3.12Å; D1314-Q1316 WeakPolarHBondContact OD1-CB 3.49Å; D1314-Q1316 PolarHBondContact OD1-N 3.25Å; Q1316-F1318 HydrophobicContact CB-CD1 4.45Å; Q1316-F1318 HydrophobicContact CB-CE1 3.78Å; Q1316-F1318 HydrophobicContact CB-CZ 4.18Å; Q1316-I1329 HydrophobicContact CB-CG2 4.49Å; Q1316-I1329 HydrophobicContact CG-CG2 4.38Å; Q1316-R1332 HydrophobicContact CG-CB 4.26Å; Q1316-R1332 HydrophobicContact CG-CG 3.97Å |
| 1317 | V | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.6 | 161 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | L1309 S1310 C1311 L1330 V1331 L1347 I1350 F1360 V1362 | L1309-V1317 HydrophobicContact CB-CG1 4.29Å; S1310-V1317 CarbonylContact O-C 3.53Å; S1310-V1317 VanDerWaalsContact O-CA 3.27Å; S1310-V1317 WeakPolarHBondContact O-CA 3.2Å; C1311-V1317 HydrophobicContact CB-CG2 4.35Å; V1317-L1330 HydrophobicContact CB-CB 4.42Å; V1317-L1330 HydrophobicContact CG1-CB 4.31Å; V1317-L1330 HydrophobicContact CG1-CD2 3.96Å; V1317-L1330 WeakPolarHBondContact O-CB 3.09Å; V1317-L1330 PolarHBondContact O-N 3.43Å; V1317-V1331 HydrophobicContact CB-CG1 3.87Å; V1317-V1331 HydrophobicContact CG2-CG1 3.76Å; V1317-V1331 PolarHBondContact N-O 3.21Å; V1317-L1347 HydrophobicContact CG2-CD1 3.82Å; V1317-I1350 HydrophobicContact CG1-CD1 3.57Å; V1317-I1350 HydrophobicContact CG2-CD1 4.24Å; V1317-F1360 HydrophobicContact CG1-CE2 4.4Å; V1317-F1360 HydrophobicContact CG2-CE2 4.3Å; V1317-V1362 HydrophobicContact CG2-CG1 4.15Å |
| 1318 | F | 94.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 144.4 | 167.3 | -55.5 | -40 | 0 | 0 | 0 | 109.6 | A1289 R1290 H1291 L1309 S1310 Q1316 I1320 K1327 S1328 I1329 | A1289-F1318 HydrophobicContact CB-CD2 4.07Å; R1290-F1318 WeakPolarHBondContact O-CE2 3.1Å; H1291-F1318 HydrophobicContact CB-CE2 4.15Å; H1291-F1318 AromaticContact CD2-CD2 3.76Å; H1291-F1318 AromaticContact CD2-CE2 3.48Å; H1291-F1318 VanDerWaalsContact CD2-CE2 3.48Å; H1291-F1318 WeakPolarHBondContact CD2-CE2 3.24Å; H1291-F1318 AromaticContact CE1-CD2 3.42Å; H1291-F1318 VanDerWaalsContact CE1-CD2 3.42Å; H1291-F1318 WeakPolarHBondContact CE1-CD2 3.22Å; H1291-F1318 AromaticContact CE1-CE2 3.28Å; H1291-F1318 WeakPolarHBondContact CE1-CE2 3.36Å; H1291-F1318 AromaticContact CE1-CZ 3.84Å; H1291-F1318 AromaticContact CG-CE2 3.39Å; H1291-F1318 AromaticContact ND1-CD2 3.92Å; H1291-F1318 AromaticContact ND1-CE2 3.28Å; H1291-F1318 VanDerWaalsContact ND1-CE2 3.28Å; H1291-F1318 WeakPolarHBondContact ND1-CE2 3.19Å; H1291-F1318 AromaticContact ND1-CZ 3.62Å; H1291-F1318 AromaticContact NE2-CD2 3.28Å; H1291-F1318 VanDerWaalsContact NE2-CD2 3.28Å; H1291-F1318 WeakPolarHBondContact NE2-CD2 3.36Å; H1291-F1318 AromaticContact NE2-CE2 3.4Å; H1291-F1318 WeakPolarHBondContact NE2-CE2 3.32Å; L1309-F1318 VanDerWaalsContact CA-O 3.3Å; L1309-F1318 WeakPolarHBondContact CA-O 3.47Å; S1310-F1318 PolarHBondContact N-O 3.38Å; S1310-F1318 VanDerWaalsContact N-O 3.08Å; S1310-F1318 PolarHBondContact O-N 3.1Å; Q1316-F1318 HydrophobicContact CB-CD1 4.45Å; Q1316-F1318 HydrophobicContact CB-CE1 3.78Å; Q1316-F1318 HydrophobicContact CB-CZ 4.18Å; F1318-I1320 HydrophobicContact CB-CG1 4.18Å; F1318-K1327 HydrophobicContact CB-CB 4.49Å; F1318-K1327 HydrophobicContact CB-CD 4.42Å; F1318-K1327 HydrophobicContact CD1-CD 4.09Å; F1318-K1327 HydrophobicContact CD2-CD 3.82Å; F1318-K1327 HydrophobicContact CE1-CD 4.43Å; F1318-K1327 VanDerWaalsContact CE1-NZ 3.32Å; F1318-K1327 HydrophobicContact CE2-CD 4.15Å; F1318-K1327 HydrophobicContact CG-CD 3.83Å; F1318-K1327 HydrophobicContact CZ-CD 4.5Å; F1318-S1328 VanDerWaalsContact CA-O 3.32Å; F1318-S1328 WeakPolarHBondContact CA-O 3.32Å; F1318-I1329 HydrophobicContact CD1-CB 4.49Å; F1318-I1329 HydrophobicContact CD1-CG1 4.03Å; F1318-I1329 HydrophobicContact CE1-CG1 4Å |
| 1319 | E | 92.3 | Very high | 89 | Confident | 40 Ų | 40 | 42.7 Ų | 42.7 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.3 | 163.8 | 172 | -178.2 | -113.8 | 0 | 0 | 107.2 | L1307 L1309 S1328 L1330 R1374 | L1307-E1319 HydrophobicContact CD1-CG 3.72Å; L1307-E1319 HydrophobicContact CD2-CG 4.26Å; L1307-E1319 HydrophobicContact CG-CG 4.13Å; L1309-E1319 HydrophobicContact CD2-CB 3.66Å; L1309-E1319 HydrophobicContact CD2-CG 3.84Å; E1319-S1328 WeakPolarHBondContact CB-OG 3.32Å; E1319-S1328 PolarHBondContact N-O 3.31Å; E1319-S1328 PolarHBondContact O-N 3.32Å; E1319-S1328 PolarHBondContact O-OG 2.85Å; E1319-S1328 VanDerWaalsContact O-OG 3.1Å; E1319-S1328 PolarHBondContact OE2-OG 2.95Å; E1319-L1330 HydrophobicContact CB-CB 3.96Å; E1319-L1330 HydrophobicContact CB-CD1 4.15Å; E1319-L1330 HydrophobicContact CB-CD2 4.37Å; E1319-L1330 HydrophobicContact CB-CG 4.39Å; E1319-R1374 IonicContact OE1-CZ 2.76Å; E1319-R1374 IonicContact OE1-NE 3.65Å; E1319-R1374 PolarHBondContact OE1-NE 2.86Å; E1319-R1374 IonicContact OE1-NH2 3.65Å; E1319-R1374 PolarHBondContact OE1-NH2 3.18Å |
| 1320 | I | 92.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 101.6 | -169.7 | -53.6 | 173 | 0 | 0 | 0 | 107.1 | V1271 L1288 A1289 L1307 V1308 F1318 L1322 K1327 | V1271-I1320 HydrophobicContact CB-CD1 4.31Å; V1271-I1320 HydrophobicContact CG1-CD1 4.03Å; L1288-I1320 HydrophobicContact CB-CG2 3.98Å; L1288-I1320 HydrophobicContact CD1-CG2 4.19Å; A1289-I1320 HydrophobicContact CB-CD1 3.56Å; A1289-I1320 HydrophobicContact CB-CG1 4.25Å; L1307-I1320 WeakPolarHBondContact CA-O 3.47Å; V1308-I1320 PolarHBondContact N-O 3.32Å; V1308-I1320 WeakPolarHBondContact O-CB 3.38Å; V1308-I1320 PolarHBondContact O-N 3.07Å; F1318-I1320 HydrophobicContact CB-CG1 4.18Å; I1320-L1322 HydrophobicContact CG2-CD2 4.48Å; I1320-K1327 HydrophobicContact CG1-CB 4.26Å |
| 1321 | D | 89.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 113.6 | 166 | -172.5 | -23 | 0 | 0 | 0 | 108.7 | N1306 R1323 L1324 | N1306-D1321 CarbonylContact O-C 3.54Å; N1306-D1321 WeakPolarHBondContact O-CA 3.49Å; D1321-R1323 PolarHBondContact O-N 3.19Å; D1321-R1323 WeakPolarHBondContact OD1-CB 3.44Å; D1321-R1323 VanDerWaalsContact OD1-CG 3.3Å; D1321-R1323 WeakPolarHBondContact OD1-CG 3.37Å; D1321-R1323 IonicContact OD1-CZ 3.88Å; D1321-R1323 PolarHBondContact OD1-N 2.84Å; D1321-R1323 IonicContact OD1-NE 3.1Å; D1321-R1323 PolarHBondContact OD1-NE 3.38Å; D1321-R1323 IonicContact OD1-NH2 2.68Å; D1321-R1323 IonicContact OD2-CZ 3.75Å; D1321-R1323 VanDerWaalsContact OD2-CZ 3.3Å; D1321-R1323 IonicContact OD2-NE 2.75Å; D1321-R1323 PolarHBondContact OD2-NE 3.44Å; D1321-R1323 VanDerWaalsContact OD2-NE 3.13Å; D1321-R1323 IonicContact OD2-NH2 4Å; D1321-R1323 PolarHBondContact OD2-NH2 3.35Å; D1321-L1324 HydrophobicContact CB-CB 4.28Å; D1321-L1324 HydrophobicContact CB-CD1 3.96Å; D1321-L1324 HydrophobicContact CB-CG 3.92Å; D1321-L1324 PolarHBondContact O-N 2.93Å |
| 1322 | L | 87.5 | Confident | 88.2 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.6 | -178.4 | -63.3 | 177 | 0 | 0 | 0 | 113.6 | V1254 V1263 L1273 R1286 L1288 N1306 V1308 I1320 | V1254-L1322 HydrophobicContact CG1-CD1 3.82Å; V1254-L1322 HydrophobicContact CG2-CD1 4.06Å; V1263-L1322 HydrophobicContact CG2-CD2 4.43Å; L1273-L1322 HydrophobicContact CD1-CD1 4.32Å; L1273-L1322 HydrophobicContact CD1-CD2 4.3Å; L1273-L1322 HydrophobicContact CD2-CD2 4.47Å; R1286-L1322 PolarHBondContact NH2-O 2.91Å; L1288-L1322 HydrophobicContact CD1-CD2 3.44Å; L1288-L1322 VanDerWaalsContact CD1-CD2 3.44Å; L1288-L1322 HydrophobicContact CD2-CD2 3.8Å; L1288-L1322 HydrophobicContact CG-CD2 4.26Å; N1306-L1322 WeakPolarHBondContact O-CB 3.19Å; N1306-L1322 WeakPolarHBondContact O-CG 3.34Å; N1306-L1322 PolarHBondContact O-N 3.46Å; V1308-L1322 HydrophobicContact CG2-CD1 4.46Å; I1320-L1322 HydrophobicContact CG2-CD2 4.48Å |
| 1323 | R | 85.4 | Confident | 87.9 | Confident | 172 Ų | 172 | 50.3 Ų | 50.3 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -19.5 | 175.3 | -53.5 | 170.3 | -67.7 | -174.4 | 4.2 | 113 | N1306 D1321 | N1306-R1323 HydrophobicContact CB-CG 3.9Å; N1306-R1323 VanDerWaalsContact OD1-CG 3.28Å; N1306-R1323 WeakPolarHBondContact OD1-CG 3.38Å; D1321-R1323 PolarHBondContact O-N 3.19Å; D1321-R1323 WeakPolarHBondContact OD1-CB 3.44Å; D1321-R1323 VanDerWaalsContact OD1-CG 3.3Å; D1321-R1323 WeakPolarHBondContact OD1-CG 3.37Å; D1321-R1323 IonicContact OD1-CZ 3.88Å; D1321-R1323 PolarHBondContact OD1-N 2.84Å; D1321-R1323 IonicContact OD1-NE 3.1Å; D1321-R1323 PolarHBondContact OD1-NE 3.38Å; D1321-R1323 IonicContact OD1-NH2 2.68Å; D1321-R1323 IonicContact OD2-CZ 3.75Å; D1321-R1323 VanDerWaalsContact OD2-CZ 3.3Å; D1321-R1323 IonicContact OD2-NE 2.75Å; D1321-R1323 PolarHBondContact OD2-NE 3.44Å; D1321-R1323 VanDerWaalsContact OD2-NE 3.13Å; D1321-R1323 IonicContact OD2-NH2 4Å; D1321-R1323 PolarHBondContact OD2-NH2 3.35Å |
| 1324 | L | 84.8 | Confident | 87.3 | Confident | 101 Ų | 101 | 48.3 Ų | 48.3 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -99.3 | 149.6 | -180 | -59 | -177.5 | 0 | 0 | 0 | 110.4 | D1321 T1326 | D1321-L1324 HydrophobicContact CB-CB 4.28Å; D1321-L1324 HydrophobicContact CB-CD1 3.96Å; D1321-L1324 HydrophobicContact CB-CG 3.92Å; D1321-L1324 PolarHBondContact O-N 2.93Å; L1324-T1326 PolarHBondContact O-N 3.19Å |
| 1325 | A | 77.9 | Confident | 86.4 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 89% | 0.893 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -79.8 | -2.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1326 | T | 76.5 | Confident | 85.2 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 64% | 0.638 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -139.5 | 126.7 | -168.8 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | L1324 | L1324-T1326 PolarHBondContact O-N 3.19Š|
| 1327 | K | 82.5 | Confident | 83.5 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | trans | -64.1 | 146.8 | 167.1 | 66.7 | 179.6 | -170.3 | 161.7 | 0 | 111.9 | A1289 R1290 F1318 I1320 | A1289-K1327 HydrophobicContact CB-CB 4.37Å; A1289-K1327 HydrophobicContact CB-CD 3.69Å; R1290-K1327 PolarHBondContact O-NZ 3.48Å; F1318-K1327 HydrophobicContact CB-CB 4.49Å; F1318-K1327 HydrophobicContact CB-CD 4.42Å; F1318-K1327 HydrophobicContact CD1-CD 4.09Å; F1318-K1327 HydrophobicContact CD2-CD 3.82Å; F1318-K1327 HydrophobicContact CE1-CD 4.43Å; F1318-K1327 VanDerWaalsContact CE1-NZ 3.32Å; F1318-K1327 HydrophobicContact CE2-CD 4.15Å; F1318-K1327 HydrophobicContact CG-CD 3.83Å; F1318-K1327 HydrophobicContact CZ-CD 4.5Å; I1320-K1327 HydrophobicContact CG1-CB 4.26Å | ||
| 1328 | S | 86.1 | Confident | 81.8 | Confident | 50 Ų | 50 | 73.3 Ų | 73.3 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 152.4 | 160.5 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | F1318 E1319 | F1318-S1328 VanDerWaalsContact CA-O 3.32Å; F1318-S1328 WeakPolarHBondContact CA-O 3.32Å; E1319-S1328 WeakPolarHBondContact CB-OG 3.32Å; E1319-S1328 PolarHBondContact N-O 3.31Å; E1319-S1328 PolarHBondContact O-N 3.32Å; E1319-S1328 PolarHBondContact O-OG 2.85Å; E1319-S1328 VanDerWaalsContact O-OG 3.1Å; E1319-S1328 PolarHBondContact OE2-OG 2.95Å |
| 1329 | I | 88.5 | Confident | 80 | Confident | 94 Ų | 94 | 76.9 Ų | 76.9 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.3 | 165.1 | -54.3 | 176.8 | 0 | 0 | 0 | 105.7 | Q1316 F1318 | Q1316-I1329 HydrophobicContact CB-CG2 4.49Å; Q1316-I1329 HydrophobicContact CG-CG2 4.38Å; F1318-I1329 HydrophobicContact CD1-CB 4.49Å; F1318-I1329 HydrophobicContact CD1-CG1 4.03Å; F1318-I1329 HydrophobicContact CE1-CG1 4Å |
| 1330 | L | 87.7 | Confident | 78.3 | Confident | 21 Ų | 21 | 82.6 Ų | 82.6 | 11% | 0.11 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -58.5 | -174.3 | -176 | 67.3 | 0 | 0 | 0 | 110.1 | L1309 V1317 E1319 F1360 R1374 I1377 | L1309-L1330 HydrophobicContact CD1-CD2 4.06Å; L1309-L1330 HydrophobicContact CD2-CD2 3.86Å; V1317-L1330 HydrophobicContact CB-CB 4.42Å; V1317-L1330 HydrophobicContact CG1-CB 4.31Å; V1317-L1330 HydrophobicContact CG1-CD2 3.96Å; V1317-L1330 WeakPolarHBondContact O-CB 3.09Å; V1317-L1330 PolarHBondContact O-N 3.43Å; E1319-L1330 HydrophobicContact CB-CB 3.96Å; E1319-L1330 HydrophobicContact CB-CD1 4.15Å; E1319-L1330 HydrophobicContact CB-CD2 4.37Å; E1319-L1330 HydrophobicContact CB-CG 4.39Å; L1330-F1360 HydrophobicContact CD2-CE1 3.88Å; L1330-F1360 HydrophobicContact CD2-CE2 4.31Å; L1330-F1360 HydrophobicContact CD2-CZ 3.68Å; L1330-F1360 HydrophobicContact CG-CZ 4.35Å; L1330-R1374 HydrophobicContact CD1-CG 4.38Å; L1330-R1374 HydrophobicContact CD2-CG 4.15Å; L1330-I1377 HydrophobicContact CD1-CD1 3.3Å; L1330-I1377 HydrophobicContact CD2-CD1 4.46Å; L1330-I1377 HydrophobicContact CG-CD1 3.56Å; L1330-I1377 WeakPolarHBondContact O-CG2 3.4Å |
| 1331 | V | 89.3 | Confident | 76.8 | Confident | 7 Ų | 7 | 92.2 Ų | 92.2 | 4% | 0.042 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.8 | 175.5 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | V1317 V1333 F1360 Y1372 I1377 | V1317-V1331 HydrophobicContact CB-CG1 3.87Å; V1317-V1331 HydrophobicContact CG2-CG1 3.76Å; V1317-V1331 PolarHBondContact N-O 3.21Å; V1331-V1333 HydrophobicContact CG1-CG2 4.11Å; V1331-F1360 HydrophobicContact CG1-CE2 4.15Å; V1331-F1360 HydrophobicContact CG1-CZ 3.97Å; V1331-Y1372 HydrophobicContact CG2-CD1 4.46Å; V1331-Y1372 HydrophobicContact CG2-CE1 4.04Å; V1331-I1377 HydrophobicContact CB-CG2 3.83Å; V1331-I1377 HydrophobicContact CG2-CG2 3.87Å |
| 1332 | R | 87.9 | Confident | 75.9 | Confident | 130 Ų | 130 | 95.7 Ų | 95.7 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.6 | 164.7 | -173.8 | -178.5 | -69.7 | 172 | -3.1 | 108.7 | G1315 Q1316 F1342 | G1315-R1332 CarbonylContact O-C 3.59Å; G1315-R1332 VanDerWaalsContact O-CA 3.31Å; G1315-R1332 WeakPolarHBondContact O-CA 3.29Å; G1315-R1332 WeakPolarHBondContact O-CG 3.34Å; Q1316-R1332 HydrophobicContact CG-CB 4.26Å; Q1316-R1332 HydrophobicContact CG-CG 3.97Å; R1332-F1342 HydrophobicContact CB-CZ 4.41Å; R1332-F1342 HydrophobicContact CG-CE1 3.67Å; R1332-F1342 HydrophobicContact CG-CZ 3.82Å |
| 1333 | V | 86.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 100.1 Ų | 100.1 | 1% | 0.006 | 49% | 0.488 | C | S | . | . | trans | -88.2 | 128 | -176.2 | -174 | 0 | 0 | 0 | 0 | 109 | G1315 V1331 S1344 I1345 L1347 V1362 Y1370 Y1372 | G1315-V1333 PolarHBondContact O-N 3.03Å; V1331-V1333 HydrophobicContact CG1-CG2 4.11Å; V1333-S1344 WeakPolarHBondContact O-CA 3.38Å; V1333-I1345 HydrophobicContact CG1-CB 4.46Å; V1333-I1345 HydrophobicContact CG1-CD1 4.16Å; V1333-I1345 PolarHBondContact O-N 3.12Å; V1333-L1347 HydrophobicContact CB-CD1 4.33Å; V1333-L1347 HydrophobicContact CB-CD2 4.17Å; V1333-L1347 HydrophobicContact CG1-CD2 4.22Å; V1333-L1347 HydrophobicContact CG2-CD1 3.95Å; V1333-L1347 HydrophobicContact CG2-CD2 4.34Å; V1333-V1362 HydrophobicContact CG2-CG2 4.19Å; V1333-Y1370 HydrophobicContact CG1-CD2 3.86Å; V1333-Y1370 HydrophobicContact CG1-CE2 4.08Å; V1333-Y1372 HydrophobicContact CG2-CE2 4.02Å | ||
| 1334 | G | 80.1 | Confident | 75.4 | Confident | 24 Ų | 24 | 93.8 Ų | 93.8 | 25% | 0.247 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | 155.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F1342 R1343 | G1334-F1342 VanDerWaalsContact CA-CZ 3.43Å; G1334-F1342 WeakPolarHBondContact O-CE2 3.45Å; G1334-R1343 CarbonylContact C-O 3.56Å; G1334-R1343 WeakPolarHBondContact CA-O 3.42Å |
| 1335 | Q | 70.8 | Confident | 75.6 | Confident | 66 Ų | 66 | 89.2 Ų | 89.2 | 31% | 0.308 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130 | -177.4 | -61.5 | -176.6 | 1.3 | 0 | 0 | 111.9 | R1337 R1343 I1345 D1366 | Q1335-R1337 PolarHBondContact O-N 3.28Å; Q1335-R1343 PolarHBondContact N-O 3.47Å; Q1335-R1343 PolarHBondContact O-N 3.09Å; Q1335-I1345 HydrophobicContact CG-CD1 4.2Å; Q1335-D1366 PolarHBondContact NE2-OD2 3.01Å |
| 1336 | R | 65.2 | Low | 76.2 | Confident | 194 Ų | 194 | 85.1 Ų | 85.1 | 73% | 0.732 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 67.8 | 177.6 | -162.3 | 176.7 | -169.7 | 170.6 | 3.2 | 111.7 | N1338 | R1336-N1338 PolarHBondContact O-N 3.4Å; R1336-N1338 VanDerWaalsContact O-N 3.11Å |
| 1337 | R | 56.3 | Low | 77 | Confident | 189 Ų | 189 | 80.3 Ų | 80.3 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | -22.5 | -176.2 | -83.8 | -172.2 | 172.1 | -169.2 | -4.3 | 115.3 | Q1335 | Q1335-R1337 PolarHBondContact O-N 3.28Å |
| 1338 | N | 56 | Low | 77.5 | Confident | 123 Ų | 123 | 80 Ų | 80 | 66% | 0.658 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 161.8 | 173 | -103.1 | -55.4 | 0 | 0 | 0 | 109.4 | R1336 N1340 R1341 | R1336-N1338 PolarHBondContact O-N 3.4Å; R1336-N1338 VanDerWaalsContact O-N 3.11Å; N1338-N1340 PolarHBondContact O-N 3.14Å; N1338-R1341 PolarHBondContact O-N 3.28Å |
| 1339 | A | 57.9 | Low | 77.9 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -38.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1340 | N | 55.6 | Low | 78.1 | Confident | 161 Ų | 161 | 73.1 Ų | 73.1 | 86% | 0.861 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 10.6 | -175.4 | -63.5 | 5.3 | 0 | 0 | 0 | 114.5 | N1338 | N1338-N1340 PolarHBondContact O-N 3.14Š|
| 1341 | R | 60.9 | Low | 78.4 | Confident | 206 Ų | 206 | 74.8 Ų | 74.8 | 78% | 0.777 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 114.3 | 175 | -74.1 | -169.1 | 179.7 | -178.6 | 0.4 | 112.1 | N1338 | N1338-R1341 PolarHBondContact O-N 3.28Å |
| 1342 | F | 70.8 | Confident | 78.4 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.4 | 170.3 | -179.7 | -84.3 | 0 | 0 | 0 | 108.8 | R1332 G1334 | R1332-F1342 HydrophobicContact CB-CZ 4.41Å; R1332-F1342 HydrophobicContact CG-CE1 3.67Å; R1332-F1342 HydrophobicContact CG-CZ 3.82Å; G1334-F1342 VanDerWaalsContact CA-CZ 3.43Å; G1334-F1342 WeakPolarHBondContact O-CE2 3.45Å |
| 1343 | R | 79.6 | Confident | 78.4 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.3 | 171.4 | 178 | -173.2 | -178.3 | -156.5 | 1.6 | 108.3 | G1334 Q1335 E1365 | G1334-R1343 CarbonylContact C-O 3.56Å; G1334-R1343 WeakPolarHBondContact CA-O 3.42Å; Q1335-R1343 PolarHBondContact N-O 3.47Å; Q1335-R1343 PolarHBondContact O-N 3.09Å; R1343-E1365 IonicContact CZ-OE1 2.8Å; R1343-E1365 IonicContact NH1-OE1 2.95Å; R1343-E1365 IonicContact NH2-OE1 2.78Å; R1343-E1365 PolarHBondContact NH2-OE1 3.33Å; R1343-E1365 IonicContact NH2-OE2 2.74Å; R1343-E1365 PolarHBondContact NH2-OE2 2.89Å |
| 1344 | S | 83.7 | Confident | 78 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 140.3 | 164.8 | -83.4 | 0 | 0 | 0 | 0 | 110 | D1314 V1333 | D1314-S1344 WeakPolarHBondContact O-CB 3.38Å; D1314-S1344 PolarHBondContact O-OG 2.81Å; V1333-S1344 WeakPolarHBondContact O-CA 3.38Å |
| 1345 | I | 87.7 | Confident | 77.8 | Confident | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 117.5 | 168.5 | -68.3 | 156.5 | 0 | 0 | 0 | 107.4 | G1315 V1333 Q1335 L1347 E1365 D1366 Y1370 | G1315-I1345 WeakPolarHBondContact CA-O 3.37Å; V1333-I1345 HydrophobicContact CG1-CB 4.46Å; V1333-I1345 HydrophobicContact CG1-CD1 4.16Å; V1333-I1345 PolarHBondContact O-N 3.12Å; Q1335-I1345 HydrophobicContact CG-CD1 4.2Å; I1345-L1347 HydrophobicContact CG2-CD2 4.47Å; I1345-L1347 PolarHBondContact O-N 3.43Å; I1345-E1365 HydrophobicContact CG2-CB 4.36Å; I1345-D1366 HydrophobicContact CD1-CB 3.95Å; I1345-D1366 VanDerWaalsContact CD1-OD2 3.26Å; I1345-D1366 WeakPolarHBondContact CD1-OD2 3.34Å; I1345-D1366 HydrophobicContact CG1-CB 4.35Å; I1345-D1366 HydrophobicContact CG2-CB 3.98Å; I1345-Y1370 HydrophobicContact CD1-CE2 4.1Å |
| 1346 | P | 91.5 | Very high | 78.3 | Confident | 23 Ų | 23 | 78.3 Ų | 78.3 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 128 | 169.8 | -29.3 | 35.3 | 0 | 0 | 0 | 112.1 | E1313 Y1348 G1364 E1365 | E1313-P1346 HydrophobicContact CB-CB 4.11Å; E1313-P1346 HydrophobicContact CG-CB 4.23Å; E1313-P1346 WeakPolarHBondContact O-CA 3.39Å; P1346-Y1348 HydrophobicContact CB-CE1 4.25Å; P1346-G1364 CarbonylContact O-C 3.34Å; P1346-G1364 WeakPolarHBondContact O-CA 3.28Å; P1346-E1365 HydrophobicContact CB-CB 4.22Å; P1346-E1365 WeakPolarHBondContact CD-OE2 3.46Å; P1346-E1365 HydrophobicContact CG-CB 4.25Å; P1346-E1365 PolarHBondContact O-N 3Å |
| 1347 | L | 93.3 | Very high | 79.1 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.2 | -177.5 | -60.4 | 176.7 | 0 | 0 | 0 | 111.4 | C1311 G1312 V1317 V1333 I1345 V1362 | C1311-L1347 HydrophobicContact CB-CB 3.85Å; C1311-L1347 HydrophobicContact CB-CD1 3.96Å; G1312-L1347 CarbonylContact C-O 3.58Å; G1312-L1347 PolarHBondContact O-N 3.45Å; G1312-L1347 VanDerWaalsContact O-N 3.13Å; V1317-L1347 HydrophobicContact CG2-CD1 3.82Å; V1333-L1347 HydrophobicContact CB-CD1 4.33Å; V1333-L1347 HydrophobicContact CB-CD2 4.17Å; V1333-L1347 HydrophobicContact CG1-CD2 4.22Å; V1333-L1347 HydrophobicContact CG2-CD1 3.95Å; V1333-L1347 HydrophobicContact CG2-CD2 4.34Å; I1345-L1347 HydrophobicContact CG2-CD2 4.47Å; I1345-L1347 PolarHBondContact O-N 3.43Å; L1347-V1362 HydrophobicContact CD2-CB 4.39Å; L1347-V1362 HydrophobicContact CD2-CG2 4.49Å |
| 1348 | Y | 93.3 | Very high | 80.5 | Confident | 69 Ų | 69 | 63 Ų | 63 | 27% | 0.271 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -24.1 | 178.9 | -52.6 | -44.7 | 0 | 0 | 0 | 112.1 | H1296 E1313 P1346 G1363 E1365 A1399 | H1296-Y1348 WeakPolarHBondContact CB-O 3.45Å; H1296-Y1348 AromaticContact CD2-CD1 3.66Å; H1296-Y1348 AromaticContact NE2-CD1 3.66Å; E1313-Y1348 HydrophobicContact CG-CE1 4.31Å; P1346-Y1348 HydrophobicContact CB-CE1 4.25Å; Y1348-G1363 PolarHBondContact N-O 2.75Å; Y1348-E1365 HydrophobicContact CE2-CB 4.32Å; Y1348-A1399 HydrophobicContact CE2-CB 4.04Å |
| 1349 | S | 92.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 141.7 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 113.7 | K1297 V1362 G1363 A1403 | K1297-S1349 WeakPolarHBondContact CD-OG 3.25Å; K1297-S1349 PolarHBondContact NZ-OG 2.86Å; S1349-V1362 VanDerWaalsContact O-CA 3.26Å; S1349-V1362 WeakPolarHBondContact O-CA 3.34Å; S1349-G1363 PolarHBondContact N-O 3.27Å; S1349-G1363 PolarHBondContact O-N 3.05Å; S1349-A1403 PolarHBondContact OG-N 3.19Å; S1349-A1403 PolarHBondContact OG-O 2.91Å |
| 1350 | I | 94.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.4 | 164.2 | -173.7 | 161.4 | 0 | 0 | 0 | 109.6 | K1297 A1299 L1309 C1311 V1317 F1360 A1361 V1362 | K1297-I1350 HydrophobicContact CB-CG2 4.25Å; K1297-I1350 WeakPolarHBondContact CE-O 3.38Å; A1299-I1350 HydrophobicContact CB-CG1 4.34Å; A1299-I1350 HydrophobicContact CB-CG2 4.26Å; L1309-I1350 HydrophobicContact CB-CD1 3.76Å; L1309-I1350 HydrophobicContact CD1-CD1 4.07Å; C1311-I1350 HydrophobicContact CB-CB 4.16Å; C1311-I1350 HydrophobicContact CB-CG2 4.2Å; V1317-I1350 HydrophobicContact CG1-CD1 3.57Å; V1317-I1350 HydrophobicContact CG2-CD1 4.24Å; I1350-F1360 HydrophobicContact CD1-CD2 3.83Å; I1350-F1360 HydrophobicContact CD1-CE2 4.33Å; I1350-F1360 HydrophobicContact CG1-CD2 4.18Å; I1350-A1361 CarbonylContact C-O 3.59Å; I1350-A1361 WeakPolarHBondContact CA-O 3.3Å; I1350-V1362 HydrophobicContact CB-CG1 4.14Å; I1350-V1362 HydrophobicContact CD1-CG1 4.07Å; I1350-V1362 HydrophobicContact CG1-CG1 3.9Å |
| 1351 | H | 92.5 | Very high | 85.4 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 135.9 | 170.2 | -157.7 | -86.2 | 0 | 0 | 0 | 111.6 | F1360 A1361 F1405 | H1351-F1360 CarbonylContact O-C 3.53Å; H1351-F1360 VanDerWaalsContact O-CA 3.27Å; H1351-F1360 WeakPolarHBondContact O-CA 3.44Å; H1351-A1361 PolarHBondContact N-O 2.93Å; H1351-A1361 PolarHBondContact O-N 3.27Å; H1351-F1405 HydrophobicContact CB-CD2 4.43Å; H1351-F1405 AromaticContact ND1-CD2 3.77Å |
| 1352 | L | 90.7 | Very high | 86.9 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 148.7 | 173.3 | -79.4 | 159.2 | 0 | 0 | 0 | 111 | A1299 D1301 L1309 S1357 F1360 F1405 | A1299-L1352 HydrophobicContact CB-CB 4.47Å; A1299-L1352 HydrophobicContact CB-CD1 3.77Å; A1299-L1352 HydrophobicContact CB-CG 3.88Å; D1301-L1352 HydrophobicContact CB-CD1 4.21Å; L1309-L1352 HydrophobicContact CD1-CD2 3.98Å; L1309-L1352 HydrophobicContact CD1-CG 4.3Å; L1352-S1357 WeakPolarHBondContact CD2-O 3.24Å; L1352-F1360 HydrophobicContact CD2-CB 4.03Å; L1352-F1405 WeakPolarHBondContact O-CD2 3.38Å |
| 1353 | H | 87.6 | Confident | 87.9 | Confident | 32 Ų | 32 | 33 Ų | 33 | 15% | 0.148 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 120 | 175.1 | 173.8 | -79.5 | 0 | 0 | 0 | 110 | R1355 N1356 L1359 F1405 G1409 | H1353-R1355 PolarHBondContact ND1-N 3.49Å; H1353-R1355 PolarHBondContact O-N 2.96Å; H1353-N1356 WeakPolarHBondContact ND1-CB 3.3Å; H1353-N1356 PolarHBondContact ND1-N 2.97Å; H1353-N1356 VanDerWaalsContact ND1-N 3.12Å; H1353-N1356 CarbonylContact O-C 3.56Å; H1353-N1356 PolarHBondContact O-N 3.4Å; H1353-L1359 HydrophobicContact CB-CB 3.73Å; H1353-L1359 WeakPolarHBondContact CB-O 3.33Å; H1353-L1359 PolarHBondContact N-O 2.95Å; H1353-F1405 HydrophobicContact CB-CD2 4.22Å; H1353-F1405 HydrophobicContact CB-CE2 3.98Å; H1353-F1405 HydrophobicContact CB-CZ 4.24Å; H1353-G1409 PolarHBondContact CD2-O 3.06Å; H1353-G1409 WeakPolarHBondContact NE2-CA 3.3Å; H1353-G1409 PolarHBondContact NE2-O 3.28Å |
| 1354 | P | 77.2 | Confident | 88.4 | Confident | 53 Ų | 53 | 28.1 Ų | 28.1 | 34% | 0.344 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -2.7 | -161.6 | 27.2 | -35.7 | 0 | 0 | 0 | 116 | N1406 | P1354-N1406 VanDerWaalsContact CG-O 3.26Å; P1354-N1406 WeakPolarHBondContact CG-O 3.32Å |
| 1355 | R | 75.6 | Confident | 88.6 | Confident | 166 Ų | 166 | 29.8 Ų | 29.8 | 63% | 0.626 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 3.4 | 173.5 | -60.6 | -175.8 | 178.1 | 173.9 | -6.6 | 114.1 | H1353 S1408 | H1353-R1355 PolarHBondContact ND1-N 3.49Å; H1353-R1355 PolarHBondContact O-N 2.96Å; R1355-S1408 VanDerWaalsContact CD-O 3.3Å; R1355-S1408 WeakPolarHBondContact CD-O 3.41Å |
| 1356 | N | 82.3 | Confident | 88.5 | Confident | 42 Ų | 42 | 30.2 Ų | 30.2 | 23% | 0.225 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 87.3 | -178.2 | -177.7 | 6.6 | 0 | 0 | 0 | 108.3 | H1353 N1358 L1359 | H1353-N1356 WeakPolarHBondContact ND1-CB 3.3Å; H1353-N1356 PolarHBondContact ND1-N 2.97Å; H1353-N1356 VanDerWaalsContact ND1-N 3.12Å; H1353-N1356 CarbonylContact O-C 3.56Å; H1353-N1356 PolarHBondContact O-N 3.4Å; N1356-N1358 PolarHBondContact O-N 2.9Å; N1356-N1358 WeakPolarHBondContact OD1-CB 3.26Å; N1356-N1358 PolarHBondContact OD1-N 3.45Å; N1356-N1358 PolarHBondContact OD1-ND2 3.04Å; N1356-L1359 WeakPolarHBondContact ND2-CD1 3.48Å; N1356-L1359 PolarHBondContact O-N 3.38Å |
| 1357 | S | 81.2 | Confident | 88.2 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 12% | 0.119 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | -11.5 | 178.4 | 33.5 | 0 | 0 | 0 | 0 | 115.2 | D1301 D1303 L1352 R1374 | D1301-S1357 VanDerWaalsContact OD1-CB 3.25Å; D1301-S1357 WeakPolarHBondContact OD1-CB 3.09Å; D1301-S1357 WeakPolarHBondContact OD2-CB 3.28Å; D1303-S1357 VanDerWaalsContact OD2-CB 3.22Å; D1303-S1357 WeakPolarHBondContact OD2-CB 3.15Å; D1303-S1357 PolarHBondContact OD2-OG 3.29Å; L1352-S1357 WeakPolarHBondContact CD2-O 3.24Å; S1357-R1374 WeakPolarHBondContact O-CD 3.47Å; S1357-R1374 PolarHBondContact O-NH1 3.01Å |
| 1358 | N | 85.8 | Confident | 87.9 | Confident | 44 Ų | 44 | 32.7 Ų | 32.7 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -29.6 | 172.5 | -55 | -80.3 | 0 | 0 | 0 | 113.2 | N1356 D1373 R1374 R1375 | N1356-N1358 PolarHBondContact O-N 2.9Å; N1356-N1358 WeakPolarHBondContact OD1-CB 3.26Å; N1356-N1358 PolarHBondContact OD1-N 3.45Å; N1356-N1358 PolarHBondContact OD1-ND2 3.04Å; N1358-D1373 WeakPolarHBondContact O-CA 3.18Å; N1358-R1374 WeakPolarHBondContact O-CB 3.43Å; N1358-R1374 WeakPolarHBondContact O-CG 3.36Å; N1358-R1374 PolarHBondContact O-N 3.4Å; N1358-R1375 HydrophobicContact CB-CG 4.14Å; N1358-R1375 VanDerWaalsContact OD1-CD 3.29Å; N1358-R1375 WeakPolarHBondContact OD1-CD 3.43Å; N1358-R1375 VanDerWaalsContact OD1-CG 3.32Å; N1358-R1375 WeakPolarHBondContact OD1-CG 3.42Å |
| 1359 | L | 89.6 | Confident | 87.7 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 16% | 0.157 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.8 | -176.9 | -70.9 | 173.6 | 0 | 0 | 0 | 111.5 | H1353 N1356 L1371 Y1372 D1373 | H1353-L1359 HydrophobicContact CB-CB 3.73Å; H1353-L1359 WeakPolarHBondContact CB-O 3.33Å; H1353-L1359 PolarHBondContact N-O 2.95Å; N1356-L1359 WeakPolarHBondContact ND2-CD1 3.48Å; N1356-L1359 PolarHBondContact O-N 3.38Å; L1359-L1371 HydrophobicContact CB-CD1 4.25Å; L1359-L1371 HydrophobicContact CD2-CD1 4.26Å; L1359-L1371 HydrophobicContact CD2-CG 4.5Å; L1359-Y1372 WeakPolarHBondContact CA-O 3.47Å; L1359-D1373 HydrophobicContact CD2-CB 3.8Å |
| 1360 | F | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.2 | 174.9 | 67.1 | -76 | 0 | 0 | 0 | 112.2 | L1309 V1317 L1330 V1331 I1350 H1351 L1352 V1362 L1371 Y1372 R1374 | L1309-F1360 HydrophobicContact CD1-CB 4.47Å; L1309-F1360 HydrophobicContact CD1-CG 4.3Å; V1317-F1360 HydrophobicContact CG1-CE2 4.4Å; V1317-F1360 HydrophobicContact CG2-CE2 4.3Å; L1330-F1360 HydrophobicContact CD2-CE1 3.88Å; L1330-F1360 HydrophobicContact CD2-CE2 4.31Å; L1330-F1360 HydrophobicContact CD2-CZ 3.68Å; L1330-F1360 HydrophobicContact CG-CZ 4.35Å; V1331-F1360 HydrophobicContact CG1-CE2 4.15Å; V1331-F1360 HydrophobicContact CG1-CZ 3.97Å; I1350-F1360 HydrophobicContact CD1-CD2 3.83Å; I1350-F1360 HydrophobicContact CD1-CE2 4.33Å; I1350-F1360 HydrophobicContact CG1-CD2 4.18Å; H1351-F1360 CarbonylContact O-C 3.53Å; H1351-F1360 VanDerWaalsContact O-CA 3.27Å; H1351-F1360 WeakPolarHBondContact O-CA 3.44Å; L1352-F1360 HydrophobicContact CD2-CB 4.03Å; F1360-V1362 HydrophobicContact CD2-CG1 3.88Å; F1360-V1362 HydrophobicContact CE2-CG1 4.01Å; F1360-L1371 WeakPolarHBondContact O-CD1 3.44Å; F1360-Y1372 WeakPolarHBondContact CD1-O 3.47Å; F1360-Y1372 VanDerWaalsContact CE1-CB 3.44Å; F1360-Y1372 HydrophobicContact CE2-CD2 4.21Å; F1360-Y1372 HydrophobicContact CE2-CG 4.41Å; F1360-Y1372 VanDerWaalsContact CZ-CB 3.43Å; F1360-Y1372 HydrophobicContact CZ-CD2 4.33Å; F1360-Y1372 HydrophobicContact CZ-CG 4.08Å; F1360-Y1372 PolarHBondContact N-O 3.09Å; F1360-Y1372 PolarHBondContact O-N 3.45Å; F1360-R1374 HydrophobicContact CD1-CG 3.73Å; F1360-R1374 HydrophobicContact CE1-CG 3.63Å |
| 1361 | A | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 143.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1350 H1351 Y1370 F1405 L1412 | I1350-A1361 CarbonylContact C-O 3.59Å; I1350-A1361 WeakPolarHBondContact CA-O 3.3Å; H1351-A1361 PolarHBondContact N-O 2.93Å; H1351-A1361 PolarHBondContact O-N 3.27Å; A1361-Y1370 CarbonylContact C-O 3.45Å; A1361-Y1370 VanDerWaalsContact CA-O 3.3Å; A1361-Y1370 WeakPolarHBondContact CA-O 3.37Å; A1361-F1405 HydrophobicContact CB-CE2 3.66Å; A1361-F1405 HydrophobicContact CB-CZ 3.84Å; A1361-L1412 HydrophobicContact CB-CD1 3.81Å; A1361-L1412 HydrophobicContact CB-CD2 4.04Å |
| 1362 | V | 92.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.8 | 174.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | V1317 V1333 L1347 S1349 I1350 F1360 C1369 Y1370 Y1372 | V1317-V1362 HydrophobicContact CG2-CG1 4.15Å; V1333-V1362 HydrophobicContact CG2-CG2 4.19Å; L1347-V1362 HydrophobicContact CD2-CB 4.39Å; L1347-V1362 HydrophobicContact CD2-CG2 4.49Å; S1349-V1362 VanDerWaalsContact O-CA 3.26Å; S1349-V1362 WeakPolarHBondContact O-CA 3.34Å; I1350-V1362 HydrophobicContact CB-CG1 4.14Å; I1350-V1362 HydrophobicContact CD1-CG1 4.07Å; I1350-V1362 HydrophobicContact CG1-CG1 3.9Å; F1360-V1362 HydrophobicContact CD2-CG1 3.88Å; F1360-V1362 HydrophobicContact CE2-CG1 4.01Å; V1362-C1369 PolarHBondContact O-SG 3.49Å; V1362-C1369 VanDerWaalsContact O-SG 3.41Å; V1362-Y1370 PolarHBondContact N-O 3.11Å; V1362-Y1370 PolarHBondContact O-N 2.92Å; V1362-Y1372 HydrophobicContact CG2-CD2 4Å; V1362-Y1372 HydrophobicContact CG2-CE2 3.82Å |
| 1363 | G | 91 | Very high | 87.1 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1348 S1349 | Y1348-G1363 PolarHBondContact N-O 2.75Å; S1349-G1363 PolarHBondContact N-O 3.27Å; S1349-G1363 PolarHBondContact O-N 3.05Å |
| 1364 | G | 90 | Very high | 87 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | -148.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1346 D1366 A1399 I1400 | P1346-G1364 CarbonylContact O-C 3.34Å; P1346-G1364 WeakPolarHBondContact O-CA 3.28Å; G1364-D1366 PolarHBondContact O-N 3.44Å; G1364-A1399 CarbonylContact O-C 3.59Å; G1364-A1399 WeakPolarHBondContact O-CA 3.3Å; G1364-A1399 WeakPolarHBondContact O-CB 3.44Å; G1364-I1400 PolarHBondContact O-N 2.68Å |
| 1365 | E | 88.1 | Confident | 87.3 | Confident | 75 Ų | 75 | 36 Ų | 36 | 35% | 0.35 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -73.9 | 45.9 | 176.8 | -155.8 | -140.8 | 141.6 | 0 | 0 | 113.5 | R1343 I1345 P1346 Y1348 | R1343-E1365 IonicContact CZ-OE1 2.8Å; R1343-E1365 IonicContact NH1-OE1 2.95Å; R1343-E1365 IonicContact NH2-OE1 2.78Å; R1343-E1365 PolarHBondContact NH2-OE1 3.33Å; R1343-E1365 IonicContact NH2-OE2 2.74Å; R1343-E1365 PolarHBondContact NH2-OE2 2.89Å; I1345-E1365 HydrophobicContact CG2-CB 4.36Å; P1346-E1365 HydrophobicContact CB-CB 4.22Å; P1346-E1365 WeakPolarHBondContact CD-OE2 3.46Å; P1346-E1365 HydrophobicContact CG-CB 4.25Å; P1346-E1365 PolarHBondContact O-N 3Å; Y1348-E1365 HydrophobicContact CE2-CB 4.32Å |
| 1366 | D | 85.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -144.3 | 159.4 | 170.9 | -155.7 | -52.6 | 0 | 0 | 0 | 108.7 | Q1335 I1345 G1364 H1368 Y1370 | Q1335-D1366 PolarHBondContact NE2-OD2 3.01Å; I1345-D1366 HydrophobicContact CD1-CB 3.95Å; I1345-D1366 VanDerWaalsContact CD1-OD2 3.26Å; I1345-D1366 WeakPolarHBondContact CD1-OD2 3.34Å; I1345-D1366 HydrophobicContact CG1-CB 4.35Å; I1345-D1366 HydrophobicContact CG2-CB 3.98Å; G1364-D1366 PolarHBondContact O-N 3.44Å; D1366-H1368 PolarHBondContact O-N 3.14Å; D1366-H1368 IonicContact OD1-CE1 3.08Å; D1366-H1368 IonicContact OD1-CG 3.57Å; D1366-H1368 PolarHBondContact OD1-N 3.49Å; D1366-H1368 IonicContact OD1-ND1 3.79Å; D1366-H1368 PolarHBondContact OD1-ND1 3.13Å; D1366-Y1370 PolarHBondContact OD2-OH 3.5Å |
| 1367 | V | 85.2 | Confident | 87.3 | Confident | 30 Ų | 30 | 32.2 Ų | 32.2 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -77 | -12.9 | -179.5 | -151.1 | 0 | 0 | 0 | 0 | 111.7 | C1387 L1391 T1398 Y1416 | V1367-C1387 PolarHBondContact O-SG 2.94Å; V1367-L1391 HydrophobicContact CG1-CB 3.65Å; V1367-L1391 HydrophobicContact CG1-CD1 3.73Å; V1367-L1391 HydrophobicContact CG1-CG 4.33Å; V1367-T1398 HydrophobicContact CG1-CG2 4.29Å; V1367-Y1416 HydrophobicContact CG1-CE1 4.41Å; V1367-Y1416 WeakPolarHBondContact O-CE1 3.14Å; V1367-Y1416 PolarHBondContact O-OH 3.48Å |
| 1368 | H | 87.1 | Confident | 86.3 | Confident | 48 Ų | 48 | 36.8 Ų | 36.8 | 22% | 0.222 | 18% | 0.184 | C | C | . | . | trans | -104.3 | 127.4 | -174.7 | -55.2 | 81.8 | 0 | 0 | 0 | 111.5 | D1366 Y1370 A1385 Y1386 I1400 | D1366-H1368 PolarHBondContact O-N 3.14Å; D1366-H1368 IonicContact OD1-CE1 3.08Å; D1366-H1368 IonicContact OD1-CG 3.57Å; D1366-H1368 PolarHBondContact OD1-N 3.49Å; D1366-H1368 IonicContact OD1-ND1 3.79Å; D1366-H1368 PolarHBondContact OD1-ND1 3.13Å; H1368-Y1370 HydrophobicContact CB-CD1 4.18Å; H1368-Y1370 HydrophobicContact CB-CE1 3.57Å; H1368-Y1370 HydrophobicContact CB-CE2 4.22Å; H1368-A1385 HydrophobicContact CB-CB 4.42Å; H1368-Y1386 WeakPolarHBondContact CA-O 3.43Å; H1368-I1400 WeakPolarHBondContact O-CD1 3.49Å | ||
| 1369 | C | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.8 | 164.5 | -165.6 | 0 | 0 | 0 | 0 | 108.6 | V1362 Y1386 I1400 A1403 | V1362-C1369 PolarHBondContact O-SG 3.49Å; V1362-C1369 VanDerWaalsContact O-SG 3.41Å; C1369-Y1386 PolarHBondContact N-O 3.44Å; C1369-Y1386 PolarHBondContact O-N 2.64Å; C1369-I1400 HydrophobicContact CB-CD1 3.8Å; C1369-I1400 VanDerWaalsContact N-CD1 3.29Å; C1369-A1403 VanDerWaalsContact SG-CB 3.55Å |
| 1370 | Y | 89.9 | Confident | 83.9 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 13% | 0.125 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.3 | -174.7 | -62.8 | -62.6 | 0 | 0 | 0 | 111.9 | V1333 I1345 A1361 V1362 D1366 H1368 Y1372 P1382 A1385 | V1333-Y1370 HydrophobicContact CG1-CD2 3.86Å; V1333-Y1370 HydrophobicContact CG1-CE2 4.08Å; I1345-Y1370 HydrophobicContact CD1-CE2 4.1Å; A1361-Y1370 CarbonylContact C-O 3.45Å; A1361-Y1370 VanDerWaalsContact CA-O 3.3Å; A1361-Y1370 WeakPolarHBondContact CA-O 3.37Å; V1362-Y1370 PolarHBondContact N-O 3.11Å; V1362-Y1370 PolarHBondContact O-N 2.92Å; D1366-Y1370 PolarHBondContact OD2-OH 3.5Å; H1368-Y1370 HydrophobicContact CB-CD1 4.18Å; H1368-Y1370 HydrophobicContact CB-CE1 3.57Å; H1368-Y1370 HydrophobicContact CB-CE2 4.22Å; Y1370-Y1372 HydrophobicContact CG-CE2 4.47Å; Y1370-P1382 HydrophobicContact CD1-CB 4.05Å; Y1370-P1382 HydrophobicContact CD1-CG 3.82Å; Y1370-P1382 HydrophobicContact CE1-CG 4.36Å; Y1370-P1382 HydrophobicContact CG-CB 4.5Å; Y1370-A1385 HydrophobicContact CD1-CB 3.85Å; Y1370-A1385 HydrophobicContact CE1-CB 3.94Å |
| 1371 | L | 89.9 | Confident | 83.1 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.5 | 171.3 | 177.7 | 56.5 | 0 | 0 | 0 | 110.1 | L1359 F1360 P1382 V1383 A1384 Y1386 F1405 | L1359-L1371 HydrophobicContact CB-CD1 4.25Å; L1359-L1371 HydrophobicContact CD2-CD1 4.26Å; L1359-L1371 HydrophobicContact CD2-CG 4.5Å; F1360-L1371 WeakPolarHBondContact O-CD1 3.44Å; L1371-P1382 CarbonylContact O-C 3.6Å; L1371-P1382 WeakPolarHBondContact O-CA 3.4Å; L1371-P1382 WeakPolarHBondContact O-CB 3.42Å; L1371-V1383 HydrophobicContact CG-CB 4.29Å; L1371-V1383 PolarHBondContact O-N 3.26Å; L1371-A1384 HydrophobicContact CB-CB 4.22Å; L1371-A1384 HydrophobicContact CD2-CB 4.29Å; L1371-A1384 PolarHBondContact N-O 2.85Å; L1371-Y1386 HydrophobicContact CB-CE2 4.1Å; L1371-Y1386 HydrophobicContact CD2-CE2 4.32Å; L1371-F1405 HydrophobicContact CD1-CZ 3.91Å |
| 1372 | Y | 89.8 | Confident | 82.6 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.4 | 178.2 | -73.4 | -79.5 | 0 | 0 | 0 | 111.5 | V1331 V1333 L1359 F1360 V1362 Y1370 P1382 | V1331-Y1372 HydrophobicContact CG2-CD1 4.46Å; V1331-Y1372 HydrophobicContact CG2-CE1 4.04Å; V1333-Y1372 HydrophobicContact CG2-CE2 4.02Å; L1359-Y1372 WeakPolarHBondContact CA-O 3.47Å; F1360-Y1372 WeakPolarHBondContact CD1-O 3.47Å; F1360-Y1372 VanDerWaalsContact CE1-CB 3.44Å; F1360-Y1372 HydrophobicContact CE2-CD2 4.21Å; F1360-Y1372 HydrophobicContact CE2-CG 4.41Å; F1360-Y1372 VanDerWaalsContact CZ-CB 3.43Å; F1360-Y1372 HydrophobicContact CZ-CD2 4.33Å; F1360-Y1372 HydrophobicContact CZ-CG 4.08Å; F1360-Y1372 PolarHBondContact N-O 3.09Å; F1360-Y1372 PolarHBondContact O-N 3.45Å; V1362-Y1372 HydrophobicContact CG2-CD2 4Å; V1362-Y1372 HydrophobicContact CG2-CE2 3.82Å; Y1370-Y1372 HydrophobicContact CG-CE2 4.47Å; Y1372-P1382 HydrophobicContact CD1-CB 4.37Å; Y1372-P1382 HydrophobicContact CE1-CB 4.01Å; Y1372-P1382 HydrophobicContact CE2-CB 4.49Å |
| 1373 | D | 87.6 | Confident | 82.1 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.9 | 168.9 | -170.3 | -35.3 | 0 | 0 | 0 | 109.5 | N1358 L1359 R1375 N1376 I1377 V1383 | N1358-D1373 WeakPolarHBondContact O-CA 3.18Å; L1359-D1373 HydrophobicContact CD2-CB 3.8Å; D1373-R1375 PolarHBondContact O-N 3.1Å; D1373-R1375 VanDerWaalsContact OD1-CB 3.24Å; D1373-R1375 WeakPolarHBondContact OD1-CB 3.32Å; D1373-R1375 WeakPolarHBondContact OD1-CG 3.49Å; D1373-R1375 IonicContact OD1-CZ 3.33Å; D1373-R1375 PolarHBondContact OD1-N 2.87Å; D1373-R1375 IonicContact OD1-NE 3.33Å; D1373-R1375 PolarHBondContact OD1-NE 3.09Å; D1373-R1375 IonicContact OD1-NH2 3.72Å; D1373-R1375 IonicContact OD2-CZ 3.35Å; D1373-R1375 IonicContact OD2-NE 3.37Å; D1373-R1375 PolarHBondContact OD2-NE 3Å; D1373-R1375 IonicContact OD2-NH2 2.75Å; D1373-R1375 PolarHBondContact OD2-NH2 3.13Å; D1373-N1376 CarbonylContact O-C 3.55Å; D1373-N1376 PolarHBondContact O-N 3.3Å; D1373-I1377 WeakPolarHBondContact O-CG1 3.29Å; D1373-V1383 HydrophobicContact CB-CG2 3.88Å |
| 1374 | R | 86.1 | Confident | 81.8 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.4 | 178.9 | -72.1 | 169.3 | 61.5 | -151.8 | -4 | 113.7 | D1301 L1307 E1319 L1330 S1357 N1358 F1360 | D1301-R1374 IonicContact OD2-CZ 3.07Å; D1301-R1374 IonicContact OD2-NH1 3.63Å; D1301-R1374 PolarHBondContact OD2-NH1 3.08Å; L1307-R1374 VanDerWaalsContact CD2-CZ 3.47Å; E1319-R1374 IonicContact OE1-CZ 2.76Å; E1319-R1374 IonicContact OE1-NE 3.65Å; E1319-R1374 PolarHBondContact OE1-NE 2.86Å; E1319-R1374 IonicContact OE1-NH2 3.65Å; E1319-R1374 PolarHBondContact OE1-NH2 3.18Å; L1330-R1374 HydrophobicContact CD1-CG 4.38Å; L1330-R1374 HydrophobicContact CD2-CG 4.15Å; S1357-R1374 WeakPolarHBondContact O-CD 3.47Å; S1357-R1374 PolarHBondContact O-NH1 3.01Å; N1358-R1374 WeakPolarHBondContact O-CB 3.43Å; N1358-R1374 WeakPolarHBondContact O-CG 3.36Å; N1358-R1374 PolarHBondContact O-N 3.4Å; F1360-R1374 HydrophobicContact CD1-CG 3.73Å; F1360-R1374 HydrophobicContact CE1-CG 3.63Å |
| 1375 | R | 83.3 | Confident | 81.6 | Confident | 167 Ų | 167 | 52.8 Ų | 52.8 | 63% | 0.63 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.2 | -179.9 | -55.4 | 170.2 | -67 | 176.7 | 6 | 113 | N1358 D1373 | N1358-R1375 HydrophobicContact CB-CG 4.14Å; N1358-R1375 VanDerWaalsContact OD1-CD 3.29Å; N1358-R1375 WeakPolarHBondContact OD1-CD 3.43Å; N1358-R1375 VanDerWaalsContact OD1-CG 3.32Å; N1358-R1375 WeakPolarHBondContact OD1-CG 3.42Å; D1373-R1375 PolarHBondContact O-N 3.1Å; D1373-R1375 VanDerWaalsContact OD1-CB 3.24Å; D1373-R1375 WeakPolarHBondContact OD1-CB 3.32Å; D1373-R1375 WeakPolarHBondContact OD1-CG 3.49Å; D1373-R1375 IonicContact OD1-CZ 3.33Å; D1373-R1375 PolarHBondContact OD1-N 2.87Å; D1373-R1375 IonicContact OD1-NE 3.33Å; D1373-R1375 PolarHBondContact OD1-NE 3.09Å; D1373-R1375 IonicContact OD1-NH2 3.72Å; D1373-R1375 IonicContact OD2-CZ 3.35Å; D1373-R1375 IonicContact OD2-NE 3.37Å; D1373-R1375 PolarHBondContact OD2-NE 3Å; D1373-R1375 IonicContact OD2-NH2 2.75Å; D1373-R1375 PolarHBondContact OD2-NH2 3.13Å |
| 1376 | N | 79.9 | Confident | 81.6 | Confident | 100 Ų | 100 | 49.3 Ų | 49.3 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | trans | -140.6 | 66.7 | -175.9 | -173.1 | 24.2 | 0 | 0 | 0 | 112.1 | D1373 S1378 | D1373-N1376 CarbonylContact O-C 3.55Å; D1373-N1376 PolarHBondContact O-N 3.3Å; N1376-S1378 PolarHBondContact OD1-OG 3.14Å | ||
| 1377 | I | 77.4 | Confident | 81.4 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | trans | -97.2 | -7.4 | 176.7 | -56.7 | 161.6 | 0 | 0 | 0 | 112.1 | L1330 V1331 D1373 E1379 G1380 | L1330-I1377 HydrophobicContact CD1-CD1 3.3Å; L1330-I1377 HydrophobicContact CD2-CD1 4.46Å; L1330-I1377 HydrophobicContact CG-CD1 3.56Å; L1330-I1377 WeakPolarHBondContact O-CG2 3.4Å; V1331-I1377 HydrophobicContact CB-CG2 3.83Å; V1331-I1377 HydrophobicContact CG2-CG2 3.87Å; D1373-I1377 WeakPolarHBondContact O-CG1 3.29Å; I1377-E1379 PolarHBondContact O-N 3Å; I1377-G1380 PolarHBondContact O-N 3.45Å | ||
| 1378 | S | 61.1 | Low | 81 | Confident | 113 Ų | 113 | 47.5 Ų | 47.5 | 79% | 0.79 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.9 | -166.9 | 30.5 | 0 | 0 | 0 | 0 | 116.5 | N1376 | N1376-S1378 PolarHBondContact OD1-OG 3.14Š|
| 1379 | E | 59.6 | Low | 80.3 | Confident | 151 Ų | 151 | 50.8 Ų | 50.8 | 71% | 0.706 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -9.3 | 176.8 | -56.8 | -167.2 | 161.8 | 0 | 0 | 114.2 | I1377 N1381 | I1377-E1379 PolarHBondContact O-N 3Å; E1379-N1381 PolarHBondContact O-N 3.11Å; E1379-N1381 PolarHBondContact OE2-ND2 3Å; E1379-N1381 VanDerWaalsContact OE2-ND2 3.14Å |
| 1380 | G | 65.1 | Low | 79.4 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 37% | 0.371 | 29% | 0.293 | S | S | . | . | trans | 72.6 | -5.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1377 | I1377-G1380 PolarHBondContact O-N 3.45Š| ||
| 1381 | N | 74.4 | Confident | 78.7 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | trans | -71.1 | 138.9 | 176.3 | -63.3 | -38.1 | 0 | 0 | 0 | 111 | E1379 | E1379-N1381 PolarHBondContact O-N 3.11Å; E1379-N1381 PolarHBondContact OE2-ND2 3Å; E1379-N1381 VanDerWaalsContact OE2-ND2 3.14Å | ||
| 1382 | P | 81.4 | Confident | 77.7 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | trans | -74.3 | 157.9 | 169.7 | 33.5 | -35.6 | 0 | 0 | 0 | 111.4 | Y1370 L1371 Y1372 | Y1370-P1382 HydrophobicContact CD1-CB 4.05Å; Y1370-P1382 HydrophobicContact CD1-CG 3.82Å; Y1370-P1382 HydrophobicContact CE1-CG 4.36Å; Y1370-P1382 HydrophobicContact CG-CB 4.5Å; L1371-P1382 CarbonylContact O-C 3.6Å; L1371-P1382 WeakPolarHBondContact O-CA 3.4Å; L1371-P1382 WeakPolarHBondContact O-CB 3.42Å; Y1372-P1382 HydrophobicContact CD1-CB 4.37Å; Y1372-P1382 HydrophobicContact CE1-CB 4.01Å; Y1372-P1382 HydrophobicContact CE2-CB 4.49Å | ||
| 1383 | V | 83.6 | Confident | 76.5 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 35% | 0.345 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -72.3 | -37.8 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L1371 D1373 | L1371-V1383 HydrophobicContact CG-CB 4.29Å; L1371-V1383 PolarHBondContact O-N 3.26Å; D1373-V1383 HydrophobicContact CB-CG2 3.88Å |
| 1384 | A | 84.7 | Confident | 75.4 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1371 Y1386 | L1371-A1384 HydrophobicContact CB-CB 4.22Å; L1371-A1384 HydrophobicContact CD2-CB 4.29Å; L1371-A1384 PolarHBondContact N-O 2.85Å; A1384-Y1386 HydrophobicContact CB-CE1 4.5Å; A1384-Y1386 HydrophobicContact CB-CE2 3.83Å |
| 1385 | A | 86.2 | Confident | 74.3 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 21% | 0.207 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | H1368 Y1370 | H1368-A1385 HydrophobicContact CB-CB 4.42Å; Y1370-A1385 HydrophobicContact CD1-CB 3.85Å; Y1370-A1385 HydrophobicContact CE1-CB 3.94Å |
| 1386 | Y | 86.2 | Confident | 73.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.9 | -175.1 | -61 | -78.2 | 0 | 0 | 0 | 110.2 | H1368 C1369 L1371 A1384 L1412 Y1424 V1434 | H1368-Y1386 WeakPolarHBondContact CA-O 3.43Å; C1369-Y1386 PolarHBondContact N-O 3.44Å; C1369-Y1386 PolarHBondContact O-N 2.64Å; L1371-Y1386 HydrophobicContact CB-CE2 4.1Å; L1371-Y1386 HydrophobicContact CD2-CE2 4.32Å; A1384-Y1386 HydrophobicContact CB-CE1 4.5Å; A1384-Y1386 HydrophobicContact CB-CE2 3.83Å; Y1386-L1412 HydrophobicContact CD2-CD2 3.66Å; Y1386-L1412 HydrophobicContact CE2-CD2 3.88Å; Y1386-L1412 HydrophobicContact CG-CD2 4.44Å; Y1386-Y1424 AromaticContact CD1-CD1 3.89Å; Y1386-Y1424 HydrophobicContact CD1-CD1 3.89Å; Y1386-Y1424 AromaticContact CD1-CG 3.76Å; Y1386-Y1424 HydrophobicContact CD1-CG 3.76Å; Y1386-Y1424 HydrophobicContact CG-CD1 4.19Å; Y1386-Y1424 HydrophobicContact CG-CD2 4.22Å; Y1386-Y1424 AromaticContact CG-CG 3.9Å; Y1386-Y1424 HydrophobicContact CG-CG 3.9Å; Y1386-V1434 HydrophobicContact CD1-CB 4.08Å; Y1386-V1434 HydrophobicContact CD1-CG1 4.37Å; Y1386-V1434 HydrophobicContact CE1-CB 4.17Å; Y1386-V1434 HydrophobicContact CE1-CG1 4.23Å; Y1386-V1434 HydrophobicContact CE1-CG2 4.43Å |
| 1387 | C | 82.5 | Confident | 72.8 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | trans | -150.2 | 139.7 | -176.6 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | V1367 V1392 | V1367-C1387 PolarHBondContact O-SG 2.94Å; C1387-V1392 HydrophobicContact CB-CG2 4.13Å; C1387-V1392 WeakPolarHBondContact SG-CG2 3.48Å | ||
| 1388 | P | 77.4 | Confident | 72.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.013 | 40% | 0.395 | C | S | . | . | trans | -71.7 | 132.7 | 174.9 | -12.1 | 29.9 | 0 | 0 | 0 | 110.4 | S1390 L1391 V1392 Y1416 H1422 Y1424 | P1388-S1390 PolarHBondContact O-N 3.13Å; P1388-S1390 VanDerWaalsContact O-N 3.1Å; P1388-L1391 HydrophobicContact CB-CD1 4.43Å; P1388-L1391 HydrophobicContact CB-CG 4.24Å; P1388-L1391 HydrophobicContact CG-CD1 3.74Å; P1388-L1391 HydrophobicContact CG-CG 4.09Å; P1388-L1391 PolarHBondContact O-N 3.38Å; P1388-V1392 PolarHBondContact O-N 3.4Å; P1388-V1392 VanDerWaalsContact O-N 3.15Å; P1388-Y1416 HydrophobicContact CG-CE2 4.05Å; P1388-H1422 WeakPolarHBondContact CG-CD2 3.46Å; P1388-H1422 WeakPolarHBondContact CG-NE2 3.41Å; P1388-Y1424 WeakPolarHBondContact CD-OH 3.43Å; P1388-Y1424 WeakPolarHBondContact CG-OH 3.47Å | ||
| 1389 | Q | 72.4 | Confident | 74 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59 | -27.2 | 179.9 | -68.4 | -176 | -13.2 | 0 | 0 | 112.9 | T1393 | Q1389-T1393 VanDerWaalsContact O-CB 3.29Å; Q1389-T1393 WeakPolarHBondContact O-CB 3.25Å; Q1389-T1393 PolarHBondContact O-N 3.45Å; Q1389-T1393 PolarHBondContact O-OG1 3.01Å |
| 1390 | S | 70.1 | Confident | 75.3 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 172.3 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | P1388 S1394 | P1388-S1390 PolarHBondContact O-N 3.13Å; P1388-S1390 VanDerWaalsContact O-N 3.1Å; S1390-S1394 VanDerWaalsContact O-CB 3.26Å; S1390-S1394 WeakPolarHBondContact O-CB 3.27Å; S1390-S1394 PolarHBondContact O-N 3.05Å; S1390-S1394 PolarHBondContact O-OG 2.91Å |
| 1391 | L | 74 | Confident | 76.4 | Confident | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.6 | -40.4 | 177.3 | -62 | -176.9 | 0 | 0 | 0 | 111.6 | V1367 P1388 T1393 S1394 G1395 T1398 Y1416 | V1367-L1391 HydrophobicContact CG1-CB 3.65Å; V1367-L1391 HydrophobicContact CG1-CD1 3.73Å; V1367-L1391 HydrophobicContact CG1-CG 4.33Å; P1388-L1391 HydrophobicContact CB-CD1 4.43Å; P1388-L1391 HydrophobicContact CB-CG 4.24Å; P1388-L1391 HydrophobicContact CG-CD1 3.74Å; P1388-L1391 HydrophobicContact CG-CG 4.09Å; P1388-L1391 PolarHBondContact O-N 3.38Å; L1391-T1393 VanDerWaalsContact C-N 3.26Å; L1391-T1393 PolarHBondContact O-N 3.47Å; L1391-S1394 WeakPolarHBondContact CA-OG 3.37Å; L1391-S1394 PolarHBondContact O-N 3.47Å; L1391-S1394 PolarHBondContact O-OG 3.35Å; L1391-G1395 PolarHBondContact O-N 2.89Å; L1391-G1395 VanDerWaalsContact O-N 3.12Å; L1391-T1398 HydrophobicContact CD1-CG2 3.49Å; L1391-T1398 VanDerWaalsContact CD1-CG2 3.49Å; L1391-T1398 HydrophobicContact CD2-CG2 4Å; L1391-T1398 HydrophobicContact CG-CG2 4.35Å; L1391-Y1416 HydrophobicContact CD1-CD1 3.78Å; L1391-Y1416 HydrophobicContact CD1-CE1 3.9Å; L1391-Y1416 HydrophobicContact CD1-CG 4.26Å |
| 1392 | V | 69.7 | Low | 77.1 | Confident | 76 Ų | 76 | 47.9 Ų | 47.9 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.4 | -42.3 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | C1387 P1388 | C1387-V1392 HydrophobicContact CB-CG2 4.13Å; C1387-V1392 WeakPolarHBondContact SG-CG2 3.48Å; P1388-V1392 PolarHBondContact O-N 3.4Å; P1388-V1392 VanDerWaalsContact O-N 3.15Å |
| 1393 | T | 65 | Low | 77.5 | Confident | 123 Ų | 123 | 45.9 Ų | 45.9 | 76% | 0.755 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -78.3 | -36.9 | -176.7 | -55 | 0 | 0 | 0 | 0 | 113.3 | Q1389 L1391 | Q1389-T1393 VanDerWaalsContact O-CB 3.29Å; Q1389-T1393 WeakPolarHBondContact O-CB 3.25Å; Q1389-T1393 PolarHBondContact O-N 3.45Å; Q1389-T1393 PolarHBondContact O-OG1 3.01Å; L1391-T1393 VanDerWaalsContact C-N 3.26Å; L1391-T1393 PolarHBondContact O-N 3.47Å |
| 1394 | S | 63.9 | Low | 77.8 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -80.3 | -22.4 | -177.4 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | S1390 L1391 L1396 | S1390-S1394 VanDerWaalsContact O-CB 3.26Å; S1390-S1394 WeakPolarHBondContact O-CB 3.27Å; S1390-S1394 PolarHBondContact O-N 3.05Å; S1390-S1394 PolarHBondContact O-OG 2.91Å; L1391-S1394 WeakPolarHBondContact CA-OG 3.37Å; L1391-S1394 PolarHBondContact O-N 3.47Å; L1391-S1394 PolarHBondContact O-OG 3.35Å; S1394-L1396 PolarHBondContact O-N 3.3Å |
| 1395 | G | 63.5 | Low | 77.9 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | trans | 68.1 | 15.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | L1391 | L1391-G1395 PolarHBondContact O-N 2.89Å; L1391-G1395 VanDerWaalsContact O-N 3.12Å | ||
| 1396 | L | 64.7 | Low | 77.5 | Confident | 115 Ų | 115 | 44 Ų | 44 | 60% | 0.602 | 28% | 0.275 | S | S | * | . | trans | -70.4 | 127.5 | 177.1 | -75.7 | 167.2 | 0 | 0 | 0 | 110.7 | S1394 T1398 | S1394-L1396 PolarHBondContact O-N 3.3Å; L1396-T1398 PolarHBondContact O-N 2.91Å | ||
| 1397 | T | 66.6 | Low | 76.5 | Confident | 142 Ų | 142 | 46.7 Ų | 46.7 | 87% | 0.871 | 29% | 0.287 | S | S | * | . | trans | -84.2 | 98.2 | 175.7 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1398 | T | 78.1 | Confident | 75.9 | Confident | 20 Ų | 20 | 47 Ų | 47 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | trans | -114.5 | 166.3 | 169.2 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | V1367 L1391 L1396 Y1416 Q1417 | V1367-T1398 HydrophobicContact CG1-CG2 4.29Å; L1391-T1398 HydrophobicContact CD1-CG2 3.49Å; L1391-T1398 VanDerWaalsContact CD1-CG2 3.49Å; L1391-T1398 HydrophobicContact CD2-CG2 4Å; L1391-T1398 HydrophobicContact CG-CG2 4.35Å; L1396-T1398 PolarHBondContact O-N 2.91Å; T1398-Y1416 HydrophobicContact CG2-CD1 3.89Å; T1398-Q1417 WeakPolarHBondContact CB-O 3.48Å; T1398-Q1417 PolarHBondContact OG1-N 3.32Å; T1398-Q1417 PolarHBondContact OG1-O 3.07Å | ||
| 1399 | A | 84.6 | Confident | 75.9 | Confident | 9 Ų | 9 | 47 Ų | 47 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | trans | -123.1 | 148.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1348 G1364 T1401 Q1417 | Y1348-A1399 HydrophobicContact CE2-CB 4.04Å; G1364-A1399 CarbonylContact O-C 3.59Å; G1364-A1399 WeakPolarHBondContact O-CA 3.3Å; G1364-A1399 WeakPolarHBondContact O-CB 3.44Å; A1399-T1401 PolarHBondContact O-N 3.29Å; A1399-Q1417 PolarHBondContact O-N 3.21Å | ||
| 1400 | I | 87.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 111.2 | 178 | -63.5 | 157.4 | 0 | 0 | 0 | 109.1 | G1364 H1368 C1369 A1403 A1414 T1415 Y1416 | G1364-I1400 PolarHBondContact O-N 2.68Å; H1368-I1400 WeakPolarHBondContact O-CD1 3.49Å; C1369-I1400 HydrophobicContact CB-CD1 3.8Å; C1369-I1400 VanDerWaalsContact N-CD1 3.29Å; I1400-A1403 HydrophobicContact CG2-CB 4.28Å; I1400-A1414 HydrophobicContact CG2-CB 4.48Å; I1400-T1415 CarbonylContact C-O 3.57Å; I1400-T1415 WeakPolarHBondContact CA-O 3.14Å; I1400-Y1416 HydrophobicContact CD1-CE1 3.89Å; I1400-Y1416 HydrophobicContact CG1-CD1 3.74Å; I1400-Y1416 HydrophobicContact CG1-CE1 3.3Å; I1400-Y1416 HydrophobicContact CG1-CE2 4.31Å; I1400-Y1416 HydrophobicContact CG1-CG 4.41Å |
| 1401 | T | 86.9 | Confident | 76.8 | Confident | 48 Ų | 48 | 40.5 Ų | 40.5 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -40.7 | -178.8 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | A1399 T1415 Q1417 | A1399-T1401 PolarHBondContact O-N 3.29Å; T1401-T1415 PolarHBondContact N-O 2.61Å; T1401-T1415 PolarHBondContact OG1-O 3.27Å; T1401-T1415 PolarHBondContact OG1-OG1 3.15Å; T1401-Q1417 HydrophobicContact CG2-CB 4.06Å; T1401-Q1417 HydrophobicContact CG2-CG 4.5Å |
| 1402 | C | 89.2 | Confident | 77.3 | Confident | 14 Ų | 14 | 40 Ų | 40 | 10% | 0.095 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 139.7 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 112.6 | V1006 K1297 A1414 T1415 | V1006-C1402 HydrophobicContact CG1-CB 4.36Å; K1297-C1402 PolarHBondContact NZ-SG 2.68Å; C1402-A1414 WeakPolarHBondContact O-CA 3.27Å; C1402-T1415 WeakPolarHBondContact CA-OG1 3.25Å; C1402-T1415 VanDerWaalsContact CB-OG1 3.3Å; C1402-T1415 WeakPolarHBondContact CB-OG1 3.49Å; C1402-T1415 PolarHBondContact N-OG1 3.21Å; C1402-T1415 VanDerWaalsContact N-OG1 3.07Å; C1402-T1415 PolarHBondContact O-N 3.06Å; C1402-T1415 PolarHBondContact O-OG1 3Å |
| 1403 | A | 89.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K1297 S1349 C1369 I1400 L1412 L1413 | K1297-A1403 PolarHBondContact NZ-O 2.95Å; S1349-A1403 PolarHBondContact OG-N 3.19Å; S1349-A1403 PolarHBondContact OG-O 2.91Å; C1369-A1403 VanDerWaalsContact SG-CB 3.55Å; I1400-A1403 HydrophobicContact CG2-CB 4.28Å; A1403-L1412 HydrophobicContact CB-CD1 4.48Å; A1403-L1413 CarbonylContact C-O 3.57Å; A1403-L1413 VanDerWaalsContact CA-O 3.28Å; A1403-L1413 WeakPolarHBondContact CA-O 3.41Å |
| 1404 | V | 89.9 | Confident | 79.3 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.3 | -173.4 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L1413 | V1404-L1413 PolarHBondContact N-O 3.17Å; V1404-L1413 PolarHBondContact O-N 2.76Å |
| 1405 | F | 86.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.022 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 147.8 | 173.2 | -73.7 | -75.9 | 0 | 0 | 0 | 113 | H1351 L1352 H1353 A1361 L1371 E1411 L1412 A1426 | H1351-F1405 HydrophobicContact CB-CD2 4.43Å; H1351-F1405 AromaticContact ND1-CD2 3.77Å; L1352-F1405 WeakPolarHBondContact O-CD2 3.38Å; H1353-F1405 HydrophobicContact CB-CD2 4.22Å; H1353-F1405 HydrophobicContact CB-CE2 3.98Å; H1353-F1405 HydrophobicContact CB-CZ 4.24Å; A1361-F1405 HydrophobicContact CB-CE2 3.66Å; A1361-F1405 HydrophobicContact CB-CZ 3.84Å; L1371-F1405 HydrophobicContact CD1-CZ 3.91Å; F1405-E1411 WeakPolarHBondContact CA-O 3.49Å; F1405-L1412 HydrophobicContact CD1-CB 4.14Å; F1405-L1412 HydrophobicContact CD1-CD1 4.07Å; F1405-L1412 HydrophobicContact CD2-CD1 4.42Å; F1405-L1412 HydrophobicContact CE1-CB 4.12Å; F1405-L1412 HydrophobicContact CE1-CD1 4.09Å; F1405-L1412 HydrophobicContact CE1-CG 4.49Å; F1405-L1412 HydrophobicContact CE2-CD1 4.45Å; F1405-L1412 HydrophobicContact CG-CD1 4.24Å; F1405-L1412 HydrophobicContact CZ-CD1 4.3Å; F1405-A1426 HydrophobicContact CD1-CB 4.29Å; F1405-A1426 HydrophobicContact CE1-CB 3.89Å |
| 1406 | N | 78.1 | Confident | 81.5 | Confident | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | trans | -64.9 | 166.8 | 165.6 | 86 | 1.7 | 0 | 0 | 0 | 111.5 | P1354 S1408 G1409 S1410 E1411 | P1354-N1406 VanDerWaalsContact CG-O 3.26Å; P1354-N1406 WeakPolarHBondContact CG-O 3.32Å; N1406-S1408 PolarHBondContact ND2-OG 3.2Å; N1406-S1408 PolarHBondContact O-N 2.98Å; N1406-S1408 WeakPolarHBondContact OD1-CA 3.21Å; N1406-S1408 WeakPolarHBondContact OD1-CB 3.44Å; N1406-S1408 PolarHBondContact OD1-N 2.98Å; N1406-S1408 PolarHBondContact OD1-OG 2.87Å; N1406-S1408 VanDerWaalsContact OD1-OG 3.07Å; N1406-G1409 PolarHBondContact O-N 2.84Å; N1406-G1409 PolarHBondContact OD1-N 3.33Å; N1406-S1410 PolarHBondContact ND2-OG 3.44Å; N1406-S1410 PolarHBondContact OD1-N 3.48Å; N1406-S1410 PolarHBondContact OD1-OG 2.93Å; N1406-E1411 HydrophobicContact CB-CB 4.13Å; N1406-E1411 PolarHBondContact N-O 3.04Å; N1406-E1411 PolarHBondContact ND2-OE2 2.92Å | ||
| 1407 | H | 66.5 | Low | 82.2 | Confident | 57 Ų | 57 | 29 Ų | 29 | 26% | 0.264 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.3 | -175.4 | 79.1 | 76.4 | 0 | 0 | 0 | 114.7 | T1001 | T1001-H1407 HydrophobicContact CG2-CB 3.85Å; T1001-H1407 VanDerWaalsContact CG2-N 3.33Å |
| 1408 | S | 68.4 | Low | 82.4 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -19.9 | 174 | 1.8 | 0 | 0 | 0 | 0 | 112.8 | R999 R1355 N1406 S1410 | R999-S1408 PolarHBondContact NH1-OG 2.87Å; R1355-S1408 VanDerWaalsContact CD-O 3.3Å; R1355-S1408 WeakPolarHBondContact CD-O 3.41Å; N1406-S1408 PolarHBondContact ND2-OG 3.2Å; N1406-S1408 PolarHBondContact O-N 2.98Å; N1406-S1408 WeakPolarHBondContact OD1-CA 3.21Å; N1406-S1408 WeakPolarHBondContact OD1-CB 3.44Å; N1406-S1408 PolarHBondContact OD1-N 2.98Å; N1406-S1408 PolarHBondContact OD1-OG 2.87Å; N1406-S1408 VanDerWaalsContact OD1-OG 3.07Å; S1408-S1410 PolarHBondContact OG-OG 3.33Å |
| 1409 | G | 77.2 | Confident | 82 | Confident | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 74.5 | 4 | -164 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1353 N1406 A1426 | H1353-G1409 PolarHBondContact CD2-O 3.06Å; H1353-G1409 WeakPolarHBondContact NE2-CA 3.3Å; H1353-G1409 PolarHBondContact NE2-O 3.28Å; N1406-G1409 PolarHBondContact O-N 2.84Å; N1406-G1409 PolarHBondContact OD1-N 3.33Å; G1409-A1426 WeakPolarHBondContact O-CB 3.48Å |
| 1410 | S | 79.2 | Confident | 81.5 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -81.7 | -19.1 | -175.5 | 63.3 | 0 | 0 | 0 | 0 | 114 | N1406 S1408 A1426 | N1406-S1410 PolarHBondContact ND2-OG 3.44Å; N1406-S1410 PolarHBondContact OD1-N 3.48Å; N1406-S1410 PolarHBondContact OD1-OG 2.93Å; S1408-S1410 PolarHBondContact OG-OG 3.33Å; S1410-A1426 PolarHBondContact O-N 2.61Å |
| 1411 | E | 82.9 | Confident | 81.2 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.7 | 179.8 | -62.5 | 144 | -160.7 | 0 | 0 | 109.3 | H997 F1405 N1406 L1423 Y1424 | H997-E1411 IonicContact CD2-OE1 2.73Å; F1405-E1411 WeakPolarHBondContact CA-O 3.49Å; N1406-E1411 HydrophobicContact CB-CB 4.13Å; N1406-E1411 PolarHBondContact N-O 3.04Å; N1406-E1411 PolarHBondContact ND2-OE2 2.92Å; E1411-L1423 HydrophobicContact CB-CD1 3.9Å; E1411-L1423 HydrophobicContact CB-CD2 4.33Å; E1411-L1423 HydrophobicContact CB-CG 4.13Å; E1411-L1423 HydrophobicContact CG-CD2 4.14Å; E1411-L1423 HydrophobicContact CG-CG 4.42Å; E1411-Y1424 CarbonylContact C-O 3.58Å; E1411-Y1424 VanDerWaalsContact CA-O 3.27Å; E1411-Y1424 WeakPolarHBondContact CA-O 3.37Å |
| 1412 | L | 85.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 114.6 | 175.9 | 176.4 | 62.5 | 0 | 0 | 0 | 108.8 | A1361 Y1386 A1403 F1405 Y1424 A1426 | A1361-L1412 HydrophobicContact CB-CD1 3.81Å; A1361-L1412 HydrophobicContact CB-CD2 4.04Å; Y1386-L1412 HydrophobicContact CD2-CD2 3.66Å; Y1386-L1412 HydrophobicContact CE2-CD2 3.88Å; Y1386-L1412 HydrophobicContact CG-CD2 4.44Å; A1403-L1412 HydrophobicContact CB-CD1 4.48Å; F1405-L1412 HydrophobicContact CD1-CB 4.14Å; F1405-L1412 HydrophobicContact CD1-CD1 4.07Å; F1405-L1412 HydrophobicContact CD2-CD1 4.42Å; F1405-L1412 HydrophobicContact CE1-CB 4.12Å; F1405-L1412 HydrophobicContact CE1-CD1 4.09Å; F1405-L1412 HydrophobicContact CE1-CG 4.49Å; F1405-L1412 HydrophobicContact CE2-CD1 4.45Å; F1405-L1412 HydrophobicContact CG-CD1 4.24Å; F1405-L1412 HydrophobicContact CZ-CD1 4.3Å; L1412-Y1424 PolarHBondContact N-O 3.05Å; L1412-Y1424 WeakPolarHBondContact O-CD2 3.39Å; L1412-Y1424 PolarHBondContact O-N 3.06Å; L1412-A1426 HydrophobicContact CB-CB 4.26Å |
| 1413 | L | 89 | Confident | 80.6 | Confident | 77 Ų | 77 | 39.3 Ų | 39.3 | 40% | 0.403 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.8 | 175.5 | -168.3 | 79.6 | 0 | 0 | 0 | 109.2 | A1403 V1404 I1421 L1423 | A1403-L1413 CarbonylContact C-O 3.57Å; A1403-L1413 VanDerWaalsContact CA-O 3.28Å; A1403-L1413 WeakPolarHBondContact CA-O 3.41Å; V1404-L1413 PolarHBondContact N-O 3.17Å; V1404-L1413 PolarHBondContact O-N 2.76Å; L1413-I1421 HydrophobicContact CD1-CG2 3.59Å; L1413-I1421 HydrophobicContact CD2-CG2 4.22Å; L1413-I1421 HydrophobicContact CG-CG2 3.86Å; L1413-L1423 HydrophobicContact CB-CD1 4.1Å; L1413-L1423 HydrophobicContact CD1-CD1 3.67Å |
| 1414 | A | 86.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1400 C1402 Y1416 H1422 Y1424 | I1400-A1414 HydrophobicContact CG2-CB 4.48Å; C1402-A1414 WeakPolarHBondContact O-CA 3.27Å; A1414-Y1416 HydrophobicContact CB-CD2 4.47Å; A1414-Y1416 HydrophobicContact CB-CE2 3.84Å; A1414-H1422 PolarHBondContact N-O 2.94Å; A1414-H1422 PolarHBondContact O-N 3.37Å; A1414-Y1424 HydrophobicContact CB-CD2 4.48Å; A1414-Y1424 HydrophobicContact CB-CE2 3.81Å |
| 1415 | T | 88 | Confident | 79.9 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120.4 | -179.9 | 46.5 | 0 | 0 | 0 | 0 | 108.4 | I1400 T1401 C1402 I1421 | I1400-T1415 CarbonylContact C-O 3.57Å; I1400-T1415 WeakPolarHBondContact CA-O 3.14Å; T1401-T1415 PolarHBondContact N-O 2.61Å; T1401-T1415 PolarHBondContact OG1-O 3.27Å; T1401-T1415 PolarHBondContact OG1-OG1 3.15Å; C1402-T1415 WeakPolarHBondContact CA-OG1 3.25Å; C1402-T1415 VanDerWaalsContact CB-OG1 3.3Å; C1402-T1415 WeakPolarHBondContact CB-OG1 3.49Å; C1402-T1415 PolarHBondContact N-OG1 3.21Å; C1402-T1415 VanDerWaalsContact N-OG1 3.07Å; C1402-T1415 PolarHBondContact O-N 3.06Å; C1402-T1415 PolarHBondContact O-OG1 3Å; T1415-I1421 HydrophobicContact CG2-CB 4.41Å; T1415-I1421 HydrophobicContact CG2-CD1 4.21Å; T1415-I1421 HydrophobicContact CG2-CG1 4.04Å; T1415-I1421 HydrophobicContact CG2-CG2 3.85Å |
| 1416 | Y | 86 | Confident | 79.5 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 149.7 | -175.2 | -74.1 | -96.7 | 0 | 0 | 0 | 111 | V1367 P1388 L1391 T1398 I1400 A1414 H1422 Y1424 | V1367-Y1416 HydrophobicContact CG1-CE1 4.41Å; V1367-Y1416 WeakPolarHBondContact O-CE1 3.14Å; V1367-Y1416 PolarHBondContact O-OH 3.48Å; P1388-Y1416 HydrophobicContact CG-CE2 4.05Å; L1391-Y1416 HydrophobicContact CD1-CD1 3.78Å; L1391-Y1416 HydrophobicContact CD1-CE1 3.9Å; L1391-Y1416 HydrophobicContact CD1-CG 4.26Å; T1398-Y1416 HydrophobicContact CG2-CD1 3.89Å; I1400-Y1416 HydrophobicContact CD1-CE1 3.89Å; I1400-Y1416 HydrophobicContact CG1-CD1 3.74Å; I1400-Y1416 HydrophobicContact CG1-CE1 3.3Å; I1400-Y1416 HydrophobicContact CG1-CE2 4.31Å; I1400-Y1416 HydrophobicContact CG1-CG 4.41Å; A1414-Y1416 HydrophobicContact CB-CD2 4.47Å; A1414-Y1416 HydrophobicContact CB-CE2 3.84Å; Y1416-H1422 AromaticContact CD2-CD2 3.68Å; Y1416-H1422 HydrophobicContact CE2-CB 4.49Å; Y1416-H1422 AromaticContact CE2-CD2 3.8Å; Y1416-Y1424 PolarHBondContact OH-OH 2.93Å |
| 1417 | Q | 79.7 | Confident | 79.2 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 133 | 172.3 | -160.8 | -163.9 | -64.3 | 0 | 0 | 109.3 | T1398 A1399 T1401 S1419 | T1398-Q1417 WeakPolarHBondContact CB-O 3.48Å; T1398-Q1417 PolarHBondContact OG1-N 3.32Å; T1398-Q1417 PolarHBondContact OG1-O 3.07Å; A1399-Q1417 PolarHBondContact O-N 3.21Å; T1401-Q1417 HydrophobicContact CG2-CB 4.06Å; T1401-Q1417 HydrophobicContact CG2-CG 4.5Å; Q1417-S1419 PolarHBondContact O-N 2.94Å; Q1417-S1419 VanDerWaalsContact O-N 3.09Å |
| 1418 | D | 70.2 | Confident | 79.1 | Confident | 150 Ų | 150 | 44.9 Ų | 44.9 | 80% | 0.802 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28.7 | 176.9 | -46.2 | -45.4 | 0 | 0 | 0 | 113.8 | ||
| 1419 | S | 69.5 | Low | 78.3 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -153.2 | -175 | -179.9 | -163.8 | 0 | 0 | 0 | 0 | 110.7 | Q1417 | Q1417-S1419 PolarHBondContact O-N 2.94Å; Q1417-S1419 VanDerWaalsContact O-N 3.09Å |
| 1420 | E | 74 | Confident | 76.9 | Confident | 120 Ų | 120 | 50.7 Ų | 50.7 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | trans | -82.6 | 177 | -170.3 | -63.1 | -171.9 | 135.6 | 0 | 0 | 113.9 | ||||
| 1421 | I | 82.1 | Confident | 75.3 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.1 | 171.5 | -49 | -173 | 0 | 0 | 0 | 107.8 | L1413 T1415 | L1413-I1421 HydrophobicContact CD1-CG2 3.59Å; L1413-I1421 HydrophobicContact CD2-CG2 4.22Å; L1413-I1421 HydrophobicContact CG-CG2 3.86Å; T1415-I1421 HydrophobicContact CG2-CB 4.41Å; T1415-I1421 HydrophobicContact CG2-CD1 4.21Å; T1415-I1421 HydrophobicContact CG2-CG1 4.04Å; T1415-I1421 HydrophobicContact CG2-CG2 3.85Å |
| 1422 | H | 81.3 | Confident | 73.5 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 11% | 0.111 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.4 | -178.2 | -64.6 | -62.7 | 0 | 0 | 0 | 111.5 | P1388 A1414 Y1416 Y1424 A1436 | P1388-H1422 WeakPolarHBondContact CG-CD2 3.46Å; P1388-H1422 WeakPolarHBondContact CG-NE2 3.41Å; A1414-H1422 PolarHBondContact N-O 2.94Å; A1414-H1422 PolarHBondContact O-N 3.37Å; Y1416-H1422 AromaticContact CD2-CD2 3.68Å; Y1416-H1422 HydrophobicContact CE2-CB 4.49Å; Y1416-H1422 AromaticContact CE2-CD2 3.8Å; H1422-Y1424 HydrophobicContact CB-CE2 4.21Å; H1422-A1436 HydrophobicContact CB-CB 4.18Å |
| 1423 | L | 82.5 | Confident | 71.7 | Confident | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.5 | 172.1 | -163.2 | 72.8 | 0 | 0 | 0 | 109.1 | L996 E1411 L1413 K1437 | L996-L1423 HydrophobicContact CD2-CB 4.48Å; L996-L1423 HydrophobicContact CD2-CD2 3.78Å; L996-L1423 HydrophobicContact CG-CD2 4.27Å; E1411-L1423 HydrophobicContact CB-CD1 3.9Å; E1411-L1423 HydrophobicContact CB-CD2 4.33Å; E1411-L1423 HydrophobicContact CB-CG 4.13Å; E1411-L1423 HydrophobicContact CG-CD2 4.14Å; E1411-L1423 HydrophobicContact CG-CG 4.42Å; L1413-L1423 HydrophobicContact CB-CD1 4.1Å; L1413-L1423 HydrophobicContact CD1-CD1 3.67Å; L1423-K1437 PolarHBondContact O-N 3.43Å |
| 1424 | Y | 83.4 | Confident | 69.7 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 142.4 | 174.2 | -55.6 | -80 | 0 | 0 | 0 | 110.4 | Y1386 P1388 E1411 L1412 A1414 Y1416 H1422 A1426 A1436 | Y1386-Y1424 AromaticContact CD1-CD1 3.89Å; Y1386-Y1424 HydrophobicContact CD1-CD1 3.89Å; Y1386-Y1424 AromaticContact CD1-CG 3.76Å; Y1386-Y1424 HydrophobicContact CD1-CG 3.76Å; Y1386-Y1424 HydrophobicContact CG-CD1 4.19Å; Y1386-Y1424 HydrophobicContact CG-CD2 4.22Å; Y1386-Y1424 AromaticContact CG-CG 3.9Å; Y1386-Y1424 HydrophobicContact CG-CG 3.9Å; P1388-Y1424 WeakPolarHBondContact CD-OH 3.43Å; P1388-Y1424 WeakPolarHBondContact CG-OH 3.47Å; E1411-Y1424 CarbonylContact C-O 3.58Å; E1411-Y1424 VanDerWaalsContact CA-O 3.27Å; E1411-Y1424 WeakPolarHBondContact CA-O 3.37Å; L1412-Y1424 PolarHBondContact N-O 3.05Å; L1412-Y1424 WeakPolarHBondContact O-CD2 3.39Å; L1412-Y1424 PolarHBondContact O-N 3.06Å; A1414-Y1424 HydrophobicContact CB-CD2 4.48Å; A1414-Y1424 HydrophobicContact CB-CE2 3.81Å; Y1416-Y1424 PolarHBondContact OH-OH 2.93Å; H1422-Y1424 HydrophobicContact CB-CE2 4.21Å; Y1424-A1426 PolarHBondContact O-N 3.05Å; Y1424-A1436 HydrophobicContact CD1-CB 4.08Å; Y1424-A1436 HydrophobicContact CE1-CB 3.66Å |
| 1425 | D | 81.1 | Confident | 67.5 | Low | 41 Ų | 41 | 67.1 Ų | 67.1 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 109.5 | 166.9 | -165 | -43 | 0 | 0 | 0 | 109.1 | T1427 V1428 K1437 | D1425-T1427 PolarHBondContact O-N 3.45Å; D1425-T1427 WeakPolarHBondContact OD1-CA 3.35Å; D1425-T1427 VanDerWaalsContact OD1-CB 3.3Å; D1425-T1427 WeakPolarHBondContact OD1-CB 3.17Å; D1425-T1427 PolarHBondContact OD1-N 2.71Å; D1425-T1427 PolarHBondContact OD1-OG1 2.9Å; D1425-V1428 HydrophobicContact CB-CG2 4.03Å; D1425-K1437 IonicContact OD2-NZ 2.76Å |
| 1426 | A | 78.3 | Confident | 65 | Low | 18 Ų | 18 | 67.3 Ų | 67.3 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1405 G1409 S1410 L1412 Y1424 | F1405-A1426 HydrophobicContact CD1-CB 4.29Å; F1405-A1426 HydrophobicContact CE1-CB 3.89Å; G1409-A1426 WeakPolarHBondContact O-CB 3.48Å; S1410-A1426 PolarHBondContact O-N 2.61Å; L1412-A1426 HydrophobicContact CB-CB 4.26Å; Y1424-A1426 PolarHBondContact O-N 3.05Å |
| 1427 | T | 72.8 | Confident | 62.4 | Low | 94 Ų | 94 | 72.8 Ų | 72.8 | 58% | 0.577 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -19.5 | 174.8 | 75.9 | 0 | 0 | 0 | 0 | 112.7 | D1425 S1429 | D1425-T1427 PolarHBondContact O-N 3.45Å; D1425-T1427 WeakPolarHBondContact OD1-CA 3.35Å; D1425-T1427 VanDerWaalsContact OD1-CB 3.3Å; D1425-T1427 WeakPolarHBondContact OD1-CB 3.17Å; D1425-T1427 PolarHBondContact OD1-N 2.71Å; D1425-T1427 PolarHBondContact OD1-OG1 2.9Å; T1427-S1429 PolarHBondContact O-N 2.68Å; T1427-S1429 VanDerWaalsContact O-N 3.1Å |
| 1428 | V | 63.8 | Low | 61.5 | Low | 66 Ų | 66 | 71.6 Ų | 71.6 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | trans | -77.8 | 94.6 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 110 | D1425 G1430 V1434 | D1425-V1428 HydrophobicContact CB-CG2 4.03Å; V1428-G1430 PolarHBondContact O-N 2.86Å; V1428-V1434 HydrophobicContact CB-CG1 4.2Å; V1428-V1434 HydrophobicContact CG1-CG1 4.12Å; V1428-V1434 HydrophobicContact CG1-CG2 4.01Å | ||
| 1429 | S | 51.8 | Low | 61.1 | Low | 106 Ų | 106 | 67.5 Ų | 67.5 | 74% | 0.741 | 39% | 0.388 | S | S | * | . | trans | -84.3 | 97.8 | 173.7 | 62 | 0 | 0 | 0 | 0 | 111.1 | T1427 | T1427-S1429 PolarHBondContact O-N 2.68Å; T1427-S1429 VanDerWaalsContact O-N 3.1Å | ||
| 1430 | G | 48.3 | Very low | 60.6 | Low | 26 Ų | 26 | 68.3 Ų | 68.3 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | trans | -147.6 | 151.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1428 | V1428-G1430 PolarHBondContact O-N 2.86Š| ||
| 1431 | T | 45.4 | Very low | 59.8 | Low | 134 Ų | 134 | 65.3 Ų | 65.3 | 82% | 0.822 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -96.3 | 7.9 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1432 | E | 44.1 | Very low | 58.4 | Low | 170 Ų | 170 | 64.9 Ų | 64.9 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -101.9 | 147.7 | 171 | -61 | -175.9 | 156 | 0 | 0 | 108.1 | V1434 | E1432-V1434 PolarHBondContact O-N 2.84Š|
| 1433 | D | 47.2 | Very low | 56.9 | Low | 91 Ų | 91 | 67.6 Ų | 67.6 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | trans | -58.9 | 99.2 | -166.5 | -62.9 | -57.6 | 0 | 0 | 0 | 113 | S1435 | D1433-S1435 PolarHBondContact O-N 3.23Å; D1433-S1435 VanDerWaalsContact O-N 3.14Å | ||
| 1434 | V | 47.7 | Very low | 55.1 | Low | 17 Ų | 17 | 70.2 Ų | 70.2 | 10% | 0.103 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 111.8 | -179.2 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | Y1386 V1428 E1432 A1436 | Y1386-V1434 HydrophobicContact CD1-CB 4.08Å; Y1386-V1434 HydrophobicContact CD1-CG1 4.37Å; Y1386-V1434 HydrophobicContact CE1-CB 4.17Å; Y1386-V1434 HydrophobicContact CE1-CG1 4.23Å; Y1386-V1434 HydrophobicContact CE1-CG2 4.43Å; V1428-V1434 HydrophobicContact CB-CG1 4.2Å; V1428-V1434 HydrophobicContact CG1-CG1 4.12Å; V1428-V1434 HydrophobicContact CG1-CG2 4.01Å; E1432-V1434 PolarHBondContact O-N 2.84Å; V1434-A1436 PolarHBondContact O-N 3.18Å |
| 1435 | S | 39.5 | Very low | 52.9 | Low | 63 Ų | 63 | 75.5 Ų | 75.5 | 44% | 0.441 | 45% | 0.446 | S | S | . | . | trans | -55.2 | 135.3 | 177.7 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | D1433 | D1433-S1435 PolarHBondContact O-N 3.23Å; D1433-S1435 VanDerWaalsContact O-N 3.14Å | ||
| 1436 | A | 37.1 | Very low | 50.6 | Low | 31 Ų | 31 | 78.4 Ų | 78.4 | 26% | 0.256 | 47% | 0.465 | S | S | . | . | trans | -54.1 | 150.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | H1422 Y1424 V1434 | H1422-A1436 HydrophobicContact CB-CB 4.18Å; Y1424-A1436 HydrophobicContact CD1-CB 4.08Å; Y1424-A1436 HydrophobicContact CE1-CB 3.66Å; V1434-A1436 PolarHBondContact O-N 3.18Å | ||
| 1437 | K | 30.6 | Very low | 48 | Very low | 125 Ų | 125 | 83.9 Ų | 83.9 | 54% | 0.543 | 49% | 0.494 | S | S | . | . | trans | -109 | 0 | -176.5 | -138.1 | -177.7 | 178.7 | 174.8 | 0 | 111.1 | D995 L996 L1423 D1425 | D995-K1437 WeakPolarHBondContact OD2-CE 3.4Å; D995-K1437 IonicContact OD2-NZ 2.89Å; D995-K1437 PolarHBondContact OD2-NZ 2.85Å; L996-K1437 HydrophobicContact CD1-CB 4.04Å; L996-K1437 HydrophobicContact CD1-CD 3.79Å; L996-K1437 HydrophobicContact CD1-CG 3.71Å; L1423-K1437 PolarHBondContact O-N 3.43Å; D1425-K1437 IonicContact OD2-NZ 2.76Å |
Retrieved 1,437 of 1,437 residues in 869.2 ms
(Link to these results)